USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=27 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 98 ASN : amide:sc= 0.977 K(o=2.2,f=-8.1!) USER MOD Set 1.2: B 102 LYS NZ :NH3+ 170:sc= 1.25 (180deg=-0.019) USER MOD Set 2.1: B 78 LYS NZ :NH3+ 174:sc= 1.28 (180deg=0) USER MOD Set 2.2: B 121 THR OG1 : rot 120:sc= 1.08 USER MOD Set 3.1: A 62 GLN : amide:sc= -1.02 K(o=-0.24,f=-1.5) USER MOD Set 3.2: A 64 GLN : amide:sc= 0.783 K(o=-0.24,f=-1) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.622 K(o=-0.27,f=-1.6) USER MOD Set 4.2: A 30 THR OG1 : rot -14:sc= 0.352 USER MOD Set 5.1: A 4 ASN : amide:sc= -0.815 K(o=-0.86,f=-8.3!) USER MOD Set 5.2: A 37 ASN : amide:sc= -0.0455 K(o=-0.86,f=-5.4!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.129 (180deg=-0.622) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.29 (180deg=1.16) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.05) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.11) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0877 (180deg=-0.459) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.00124 X(o=0.0012,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.28) 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 40 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 42 SER OG : rot 180:sc=0.000587 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.48) 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 K(o=0,f=-0.66) USER MOD Single : A 55 THR OG1 : rot -150:sc= -0.242 USER MOD Single : B 67 MET CE :methyl -161:sc= 0 (180deg=-0.393) USER MOD Single : B 70 ASN : amide:sc= -3.06! C(o=-3.1!,f=-10!) USER MOD Single : B 71 ASN : amide:sc=0.000734 X(o=0.00073,f=-0.19) USER MOD Single : B 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00929) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 GLN : amide:sc= 0.0402 K(o=0.04,f=-0.55) USER MOD Single : B 84 SER OG : rot 140:sc= 0.34 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 96 THR OG1 : rot 180:sc= 0 USER MOD Single : B 103 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) 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=-0.00183 K(o=-0.0018,f=-1.3) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.09) 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 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 128 GLN : amide:sc= -0.611 K(o=-0.61,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.754 K(o=-0.75,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.270 -4.154 5.411 1.00 4.52 N ATOM 2 CA MET A 1 11.657 -5.408 5.844 1.00 15.43 C ATOM 3 C MET A 1 10.216 -5.156 6.212 1.00 54.41 C ATOM 4 O MET A 1 9.858 -4.047 6.601 1.00 33.23 O ATOM 5 CB MET A 1 12.394 -5.996 7.058 1.00 32.24 C ATOM 6 CG MET A 1 13.820 -6.438 6.783 1.00 0.23 C ATOM 7 SD MET A 1 14.646 -7.109 8.252 1.00 54.32 S ATOM 8 CE MET A 1 14.630 -5.679 9.343 1.00 74.51 C ATOM 0 H1 MET A 1 13.139 -4.358 4.878 1.00 4.52 H new ATOM 0 H2 MET A 1 11.605 -3.634 4.803 1.00 4.52 H new ATOM 0 H3 MET A 1 12.502 -3.576 6.243 1.00 4.52 H new ATOM 0 HA MET A 1 11.720 -6.123 5.024 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.406 -5.251 7.854 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.829 -6.851 7.430 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.816 -7.194 5.998 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.392 -5.590 6.406 1.00 0.23 H new ATOM 0 HE1 MET A 1 15.375 -5.811 10.127 1.00 74.51 H new ATOM 0 HE2 MET A 1 14.862 -4.781 8.770 1.00 74.51 H new ATOM 0 HE3 MET A 1 13.643 -5.577 9.794 1.00 74.51 H new ATOM 20 N ILE A 2 9.406 -6.166 6.098 1.00 22.43 N ATOM 21 CA ILE A 2 7.999 -6.074 6.399 1.00 32.41 C ATOM 22 C ILE A 2 7.667 -7.032 7.535 1.00 45.13 C ATOM 23 O ILE A 2 8.142 -8.166 7.565 1.00 32.11 O ATOM 24 CB ILE A 2 7.111 -6.413 5.143 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.381 -5.430 3.986 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.613 -6.433 5.487 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.068 -3.977 4.302 1.00 54.01 C ATOM 0 H ILE A 2 9.703 -7.092 5.790 1.00 22.43 H new ATOM 0 HA ILE A 2 7.780 -5.048 6.693 1.00 32.41 H new ATOM 0 HB ILE A 2 7.392 -7.415 4.820 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.430 -5.508 3.699 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.790 -5.735 3.122 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.037 -6.671 4.592 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.425 -7.188 6.251 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.313 -5.455 5.862 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.288 -3.360 3.431 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.013 -3.880 4.558 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.678 -3.648 5.143 1.00 54.01 H new ATOM 39 N ILE A 3 6.889 -6.563 8.461 1.00 31.31 N ATOM 40 CA ILE A 3 6.415 -7.347 9.561 1.00 25.12 C ATOM 41 C ILE A 3 4.908 -7.378 9.423 1.00 13.31 C ATOM 42 O ILE A 3 4.263 -6.331 9.422 1.00 33.20 O ATOM 43 CB ILE A 3 6.813 -6.728 10.933 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.348 -6.612 11.048 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.250 -7.571 12.078 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.837 -5.989 12.344 1.00 2.41 C ATOM 0 H ILE A 3 6.557 -5.599 8.474 1.00 31.31 H new ATOM 0 HA ILE A 3 6.856 -8.344 9.538 1.00 25.12 H new ATOM 0 HB ILE A 3 6.388 -5.726 11.000 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.783 -7.607 10.951 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.719 -6.019 10.212 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.536 -7.127 13.031 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.163 -7.605 12.005 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.649 -8.583 12.015 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.926 -5.947 12.339 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.435 -4.980 12.437 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.501 -6.592 13.187 1.00 2.41 H new ATOM 58 N ASN A 4 4.355 -8.532 9.258 1.00 20.22 N ATOM 59 CA ASN A 4 2.942 -8.666 8.983 1.00 24.23 C ATOM 60 C ASN A 4 2.169 -9.022 10.244 1.00 32.00 C ATOM 61 O ASN A 4 2.553 -9.936 10.973 1.00 60.31 O ATOM 62 CB ASN A 4 2.772 -9.750 7.919 1.00 41.35 C ATOM 63 CG ASN A 4 1.341 -10.075 7.583 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.456 -9.244 7.681 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.111 -11.288 7.185 1.00 33.01 N ATOM 0 H ASN A 4 4.860 -9.417 9.308 1.00 20.22 H new ATOM 0 HA ASN A 4 2.543 -7.718 8.623 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.282 -9.432 7.010 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.267 -10.659 8.262 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.163 -11.574 6.941 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.879 -11.956 7.116 1.00 33.01 H new ATOM 72 N ASN A 5 1.095 -8.297 10.494 1.00 65.43 N ATOM 73 CA ASN A 5 0.245 -8.529 11.659 1.00 54.20 C ATOM 74 C ASN A 5 -1.210 -8.644 11.225 1.00 74.31 C ATOM 75 O ASN A 5 -2.120 -8.383 12.011 1.00 70.34 O ATOM 76 CB ASN A 5 0.381 -7.398 12.709 1.00 72.22 C ATOM 77 CG ASN A 5 1.717 -7.379 13.436 1.00 20.33 C ATOM 78 OD1 ASN A 5 1.896 -8.055 14.450 1.00 62.01 O ATOM 79 ND2 ASN A 5 2.632 -6.565 12.996 1.00 62.53 N ATOM 0 H ASN A 5 0.783 -7.530 9.899 1.00 65.43 H new ATOM 0 HA ASN A 5 0.572 -9.460 12.122 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.236 -6.438 12.213 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.418 -7.501 13.443 1.00 72.22 H new ATOM 0 HD21 ASN A 5 3.518 -6.477 13.493 1.00 62.53 H new ATOM 0 HD22 ASN A 5 2.463 -6.015 12.154 1.00 62.53 H new ATOM 86 N LEU A 6 -1.416 -9.084 9.982 1.00 31.42 N ATOM 87 CA LEU A 6 -2.752 -9.251 9.379 1.00 41.12 C ATOM 88 C LEU A 6 -3.645 -10.081 10.314 1.00 32.41 C ATOM 89 O LEU A 6 -4.774 -9.678 10.635 1.00 15.34 O ATOM 90 CB LEU A 6 -2.603 -9.962 7.996 1.00 22.14 C ATOM 91 CG LEU A 6 -3.787 -9.920 6.976 1.00 2.34 C ATOM 92 CD1 LEU A 6 -5.054 -10.593 7.478 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.073 -8.500 6.545 1.00 33.32 C ATOM 0 H LEU A 6 -0.654 -9.339 9.353 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.216 -8.276 9.233 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.731 -9.534 7.501 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.377 -11.010 8.191 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.459 -10.501 6.114 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.830 -10.523 6.716 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.849 -11.642 7.692 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.393 -10.097 8.387 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -4.900 -8.495 5.835 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.339 -7.902 7.417 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.186 -8.078 6.072 1.00 33.32 H new ATOM 105 N LYS A 7 -3.122 -11.206 10.782 1.00 14.34 N ATOM 106 CA LYS A 7 -3.890 -12.085 11.644 1.00 42.10 C ATOM 107 C LYS A 7 -4.223 -11.431 12.989 1.00 53.11 C ATOM 108 O LYS A 7 -5.314 -11.637 13.526 1.00 74.22 O ATOM 109 CB LYS A 7 -3.257 -13.473 11.824 1.00 5.41 C ATOM 110 CG LYS A 7 -1.893 -13.497 12.487 1.00 35.52 C ATOM 111 CD LYS A 7 -1.460 -14.922 12.793 1.00 25.45 C ATOM 112 CE LYS A 7 -2.425 -15.588 13.771 1.00 12.21 C ATOM 113 NZ LYS A 7 -2.071 -16.988 14.034 1.00 61.12 N ATOM 0 H LYS A 7 -2.175 -11.527 10.579 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.832 -12.253 11.122 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.937 -14.088 12.414 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -3.172 -13.942 10.844 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -1.160 -13.023 11.835 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.923 -12.916 13.409 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.417 -15.499 11.869 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.455 -14.918 13.214 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -2.428 -15.034 14.709 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -3.437 -15.540 13.369 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -2.753 -17.399 14.703 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -2.093 -17.525 13.144 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -1.116 -17.034 14.442 1.00 61.12 H new ATOM 127 N LEU A 8 -3.281 -10.673 13.537 1.00 3.54 N ATOM 128 CA LEU A 8 -3.475 -9.970 14.798 1.00 24.22 C ATOM 129 C LEU A 8 -4.634 -8.975 14.652 1.00 33.32 C ATOM 130 O LEU A 8 -5.517 -8.910 15.510 1.00 35.35 O ATOM 131 CB LEU A 8 -2.148 -9.267 15.211 1.00 15.15 C ATOM 132 CG LEU A 8 -2.008 -8.740 16.664 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.888 -7.531 16.942 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.292 -9.853 17.663 1.00 34.11 C ATOM 0 H LEU A 8 -2.362 -10.529 13.119 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.737 -10.672 15.590 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.333 -9.968 15.033 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.996 -8.424 14.537 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.977 -8.407 16.781 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.747 -7.208 17.973 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.615 -6.720 16.267 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.933 -7.798 16.785 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.189 -9.467 18.677 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.307 -10.223 17.517 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.583 -10.667 17.512 1.00 34.11 H new ATOM 146 N ILE A 9 -4.648 -8.236 13.549 1.00 72.34 N ATOM 147 CA ILE A 9 -5.732 -7.293 13.261 1.00 55.53 C ATOM 148 C ILE A 9 -7.060 -8.042 13.097 1.00 3.21 C ATOM 149 O ILE A 9 -8.115 -7.577 13.551 1.00 40.20 O ATOM 150 CB ILE A 9 -5.418 -6.325 12.051 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.477 -5.168 12.477 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.690 -5.740 11.439 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.113 -5.570 12.993 1.00 1.24 C ATOM 0 H ILE A 9 -3.920 -8.269 12.835 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.824 -6.631 14.122 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.918 -6.934 11.298 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.338 -4.507 11.621 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.978 -4.587 13.251 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.426 -5.081 10.612 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.322 -6.548 11.072 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.230 -5.172 12.196 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.547 -4.677 13.259 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.229 -6.202 13.874 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.579 -6.121 12.219 1.00 1.24 H new ATOM 165 N ARG A 10 -6.993 -9.219 12.486 1.00 23.44 N ATOM 166 CA ARG A 10 -8.162 -10.081 12.375 1.00 2.23 C ATOM 167 C ARG A 10 -8.722 -10.424 13.742 1.00 61.23 C ATOM 168 O ARG A 10 -9.917 -10.578 13.883 1.00 0.10 O ATOM 169 CB ARG A 10 -7.873 -11.380 11.651 1.00 24.15 C ATOM 170 CG ARG A 10 -7.769 -11.295 10.154 1.00 71.12 C ATOM 171 CD ARG A 10 -7.620 -12.692 9.594 1.00 32.20 C ATOM 172 NE ARG A 10 -8.684 -13.590 10.106 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.578 -14.916 10.212 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.490 -15.525 9.797 1.00 64.25 N ATOM 175 NH2 ARG A 10 -9.549 -15.621 10.778 1.00 51.23 N ATOM 0 H ARG A 10 -6.146 -9.596 12.062 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.887 -9.510 11.795 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.938 -11.787 12.037 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.658 -12.093 11.900 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.657 -10.816 9.741 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -6.914 -10.682 9.870 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.662 -12.657 8.505 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.642 -13.092 9.862 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.562 -13.162 10.399 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.725 -14.984 9.393 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.410 -16.539 9.879 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -10.381 -15.150 11.134 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -9.464 -16.634 10.857 1.00 51.23 H new ATOM 189 N GLU A 11 -7.836 -10.635 14.719 1.00 3.43 N ATOM 190 CA GLU A 11 -8.225 -10.899 16.104 1.00 32.25 C ATOM 191 C GLU A 11 -8.797 -9.664 16.804 1.00 23.22 C ATOM 192 O GLU A 11 -9.618 -9.785 17.722 1.00 24.24 O ATOM 193 CB GLU A 11 -7.098 -11.541 16.904 1.00 73.21 C ATOM 194 CG GLU A 11 -6.671 -12.877 16.332 1.00 31.54 C ATOM 195 CD GLU A 11 -5.774 -13.659 17.242 1.00 75.21 C ATOM 196 OE1 GLU A 11 -6.302 -14.357 18.130 1.00 52.20 O ATOM 197 OE2 GLU A 11 -4.543 -13.650 17.056 1.00 73.43 O ATOM 0 H GLU A 11 -6.827 -10.627 14.570 1.00 3.43 H new ATOM 0 HA GLU A 11 -9.036 -11.626 16.059 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.241 -10.867 16.924 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.421 -11.677 17.936 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.559 -13.470 16.113 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -6.158 -12.710 15.385 1.00 31.54 H new ATOM 204 N LYS A 12 -8.286 -8.485 16.441 1.00 12.34 N ATOM 205 CA LYS A 12 -8.821 -7.209 16.944 1.00 0.30 C ATOM 206 C LYS A 12 -10.311 -7.061 16.586 1.00 41.03 C ATOM 207 O LYS A 12 -11.111 -6.584 17.400 1.00 70.21 O ATOM 208 CB LYS A 12 -7.986 -6.038 16.407 1.00 31.15 C ATOM 209 CG LYS A 12 -6.533 -6.099 16.867 1.00 63.14 C ATOM 210 CD LYS A 12 -5.651 -5.012 16.257 1.00 63.03 C ATOM 211 CE LYS A 12 -6.105 -3.614 16.630 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.099 -2.601 16.246 1.00 22.43 N ATOM 0 H LYS A 12 -7.500 -8.383 15.799 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.750 -7.200 18.032 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.019 -6.041 15.318 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.429 -5.098 16.737 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.501 -6.014 17.953 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.121 -7.075 16.612 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.622 -5.156 16.588 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.654 -5.113 15.172 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.052 -3.394 16.138 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.284 -3.562 17.704 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.493 -1.649 16.389 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.249 -2.716 16.834 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.847 -2.725 15.245 1.00 22.43 H new ATOM 226 N LYS A 13 -10.671 -7.506 15.403 1.00 11.23 N ATOM 227 CA LYS A 13 -12.073 -7.648 14.998 1.00 71.54 C ATOM 228 C LYS A 13 -12.349 -9.143 15.107 1.00 62.41 C ATOM 229 O LYS A 13 -11.615 -9.810 15.810 1.00 22.21 O ATOM 230 CB LYS A 13 -12.276 -7.133 13.556 1.00 24.24 C ATOM 231 CG LYS A 13 -12.016 -5.631 13.390 1.00 24.13 C ATOM 232 CD LYS A 13 -12.927 -4.820 14.309 1.00 4.22 C ATOM 233 CE LYS A 13 -12.719 -3.309 14.187 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.073 -2.776 12.855 1.00 54.41 N ATOM 0 H LYS A 13 -10.004 -7.784 14.683 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.754 -7.065 15.618 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.613 -7.682 12.888 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.297 -7.352 13.243 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.973 -5.410 13.617 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.185 -5.340 12.353 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.966 -5.056 14.080 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.752 -5.122 15.342 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.319 -2.804 14.944 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.676 -3.075 14.399 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -13.338 -1.774 12.941 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -12.256 -2.865 12.217 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.874 -3.314 12.468 1.00 54.41 H new ATOM 248 N LYS A 14 -13.383 -9.713 14.549 1.00 71.43 N ATOM 249 CA LYS A 14 -13.424 -11.163 14.542 1.00 32.42 C ATOM 250 C LYS A 14 -14.006 -11.682 13.255 1.00 13.24 C ATOM 251 O LYS A 14 -15.151 -12.116 13.183 1.00 5.54 O ATOM 252 CB LYS A 14 -14.104 -11.750 15.801 1.00 73.24 C ATOM 253 CG LYS A 14 -15.400 -11.066 16.196 1.00 40.21 C ATOM 254 CD LYS A 14 -15.947 -11.639 17.484 1.00 43.22 C ATOM 255 CE LYS A 14 -17.123 -10.828 17.993 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.734 -9.442 18.340 1.00 23.43 N ATOM 0 H LYS A 14 -14.172 -9.234 14.114 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.394 -11.518 14.589 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.304 -12.808 15.630 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.407 -11.689 16.637 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.229 -9.996 16.314 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.135 -11.185 15.400 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.257 -12.671 17.322 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.161 -11.657 18.239 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.904 -10.806 17.233 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.547 -11.316 18.871 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.443 -9.033 18.981 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.806 -9.449 18.810 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.679 -8.870 17.473 1.00 23.43 H new ATOM 270 N ILE A 15 -13.223 -11.564 12.221 1.00 13.13 N ATOM 271 CA ILE A 15 -13.618 -11.981 10.903 1.00 43.54 C ATOM 272 C ILE A 15 -12.648 -13.055 10.435 1.00 51.30 C ATOM 273 O ILE A 15 -11.418 -12.894 10.559 1.00 65.41 O ATOM 274 CB ILE A 15 -13.632 -10.779 9.905 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.560 -9.662 10.433 1.00 24.32 C ATOM 276 CG2 ILE A 15 -14.093 -11.235 8.524 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.613 -8.416 9.564 1.00 1.24 C ATOM 0 H ILE A 15 -12.283 -11.172 12.268 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.633 -12.378 10.936 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.618 -10.387 9.820 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.569 -10.063 10.531 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.231 -9.378 11.433 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.096 -10.384 7.842 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.413 -11.999 8.147 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -15.099 -11.648 8.594 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.289 -7.688 10.013 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.615 -7.985 9.485 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.973 -8.681 8.570 1.00 1.24 H new ATOM 289 N SER A 16 -13.181 -14.128 9.920 1.00 2.42 N ATOM 290 CA SER A 16 -12.390 -15.249 9.528 1.00 41.31 C ATOM 291 C SER A 16 -11.999 -15.154 8.056 1.00 13.21 C ATOM 292 O SER A 16 -12.437 -14.230 7.338 1.00 35.13 O ATOM 293 CB SER A 16 -13.143 -16.540 9.828 1.00 43.33 C ATOM 294 OG SER A 16 -13.499 -16.602 11.207 1.00 71.34 O ATOM 0 H SER A 16 -14.182 -14.245 9.762 1.00 2.42 H new ATOM 0 HA SER A 16 -11.465 -15.250 10.104 1.00 41.31 H new ATOM 0 HB2 SER A 16 -14.040 -16.596 9.212 1.00 43.33 H new ATOM 0 HB3 SER A 16 -12.523 -17.398 9.567 1.00 43.33 H new ATOM 0 HG SER A 16 -13.983 -17.436 11.383 1.00 71.34 H new ATOM 300 N GLN A 17 -11.189 -16.107 7.610 1.00 45.12 N ATOM 301 CA GLN A 17 -10.673 -16.123 6.254 1.00 65.34 C ATOM 302 C GLN A 17 -11.803 -16.216 5.245 1.00 13.44 C ATOM 303 O GLN A 17 -11.754 -15.573 4.209 1.00 12.11 O ATOM 304 CB GLN A 17 -9.725 -17.303 6.031 1.00 30.22 C ATOM 305 CG GLN A 17 -8.604 -17.437 7.044 1.00 4.43 C ATOM 306 CD GLN A 17 -7.684 -18.584 6.702 1.00 53.31 C ATOM 307 OE1 GLN A 17 -7.932 -19.735 7.081 1.00 72.33 O ATOM 308 NE2 GLN A 17 -6.585 -18.288 6.081 1.00 45.23 N ATOM 0 H GLN A 17 -10.873 -16.890 8.182 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.127 -15.190 6.113 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -10.309 -18.223 6.037 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -9.285 -17.211 5.038 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -8.033 -16.509 7.081 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -9.026 -17.591 8.037 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -6.411 -17.329 5.782 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -5.895 -19.015 5.892 1.00 45.23 H new ATOM 317 N SER A 18 -12.825 -17.002 5.567 1.00 55.44 N ATOM 318 CA SER A 18 -13.948 -17.228 4.680 1.00 52.11 C ATOM 319 C SER A 18 -14.715 -15.941 4.373 1.00 62.21 C ATOM 320 O SER A 18 -14.983 -15.641 3.199 1.00 10.02 O ATOM 321 CB SER A 18 -14.871 -18.259 5.308 1.00 45.03 C ATOM 322 OG SER A 18 -14.147 -19.446 5.643 1.00 21.34 O ATOM 0 H SER A 18 -12.893 -17.499 6.455 1.00 55.44 H new ATOM 0 HA SER A 18 -13.563 -17.596 3.729 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.333 -17.844 6.204 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.678 -18.502 4.616 1.00 45.03 H new ATOM 0 HG SER A 18 -14.757 -20.098 6.048 1.00 21.34 H new ATOM 328 N GLU A 19 -15.046 -15.169 5.410 1.00 50.43 N ATOM 329 CA GLU A 19 -15.793 -13.938 5.218 1.00 3.23 C ATOM 330 C GLU A 19 -14.964 -12.943 4.452 1.00 41.23 C ATOM 331 O GLU A 19 -15.473 -12.269 3.565 1.00 11.14 O ATOM 332 CB GLU A 19 -16.267 -13.295 6.528 1.00 33.34 C ATOM 333 CG GLU A 19 -17.022 -14.209 7.465 1.00 42.23 C ATOM 334 CD GLU A 19 -16.111 -14.959 8.387 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.491 -15.949 7.966 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.988 -14.538 9.566 1.00 64.25 O ATOM 0 H GLU A 19 -14.808 -15.377 6.380 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.685 -14.213 4.655 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.398 -12.901 7.055 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.905 -12.445 6.285 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.726 -13.621 8.053 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.609 -14.919 6.882 1.00 42.23 H new ATOM 343 N LEU A 20 -13.677 -12.858 4.784 1.00 73.22 N ATOM 344 CA LEU A 20 -12.777 -11.969 4.076 1.00 10.22 C ATOM 345 C LEU A 20 -12.672 -12.369 2.621 1.00 65.33 C ATOM 346 O LEU A 20 -12.772 -11.533 1.748 1.00 30.50 O ATOM 347 CB LEU A 20 -11.389 -11.941 4.733 1.00 32.54 C ATOM 348 CG LEU A 20 -11.318 -11.295 6.116 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.923 -11.431 6.695 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.715 -9.826 6.034 1.00 23.21 C ATOM 0 H LEU A 20 -13.242 -13.393 5.535 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.190 -10.962 4.130 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -11.025 -12.965 4.813 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.705 -11.411 4.070 1.00 32.54 H new ATOM 0 HG LEU A 20 -12.017 -11.810 6.774 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.891 -10.965 7.680 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.667 -12.487 6.784 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.207 -10.939 6.037 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.660 -9.378 7.026 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.035 -9.302 5.361 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.734 -9.745 5.655 1.00 23.21 H new ATOM 362 N ALA A 21 -12.544 -13.660 2.367 1.00 4.44 N ATOM 363 CA ALA A 21 -12.453 -14.167 1.009 1.00 14.42 C ATOM 364 C ALA A 21 -13.691 -13.783 0.204 1.00 35.03 C ATOM 365 O ALA A 21 -13.583 -13.287 -0.917 1.00 72.55 O ATOM 366 CB ALA A 21 -12.265 -15.675 1.009 1.00 1.41 C ATOM 0 H ALA A 21 -12.501 -14.380 3.088 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.582 -13.713 0.536 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.199 -16.033 -0.018 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.348 -15.927 1.541 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.113 -16.147 1.505 1.00 1.41 H new ATOM 372 N ALA A 22 -14.851 -13.990 0.781 1.00 4.14 N ATOM 373 CA ALA A 22 -16.101 -13.650 0.131 1.00 53.23 C ATOM 374 C ALA A 22 -16.256 -12.141 -0.067 1.00 34.22 C ATOM 375 O ALA A 22 -16.618 -11.683 -1.154 1.00 30.41 O ATOM 376 CB ALA A 22 -17.259 -14.189 0.943 1.00 24.13 C ATOM 0 H ALA A 22 -14.958 -14.397 1.710 1.00 4.14 H new ATOM 0 HA ALA A 22 -16.096 -14.108 -0.858 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.198 -13.932 0.453 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.175 -15.273 1.021 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.239 -13.750 1.941 1.00 24.13 H new ATOM 382 N LEU A 23 -15.953 -11.383 0.962 1.00 71.12 N ATOM 383 CA LEU A 23 -16.122 -9.940 0.947 1.00 42.20 C ATOM 384 C LEU A 23 -15.116 -9.253 0.017 1.00 63.22 C ATOM 385 O LEU A 23 -15.432 -8.249 -0.610 1.00 30.24 O ATOM 386 CB LEU A 23 -16.014 -9.394 2.374 1.00 60.54 C ATOM 387 CG LEU A 23 -16.236 -7.894 2.572 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.627 -7.484 2.095 1.00 60.14 C ATOM 389 CD2 LEU A 23 -16.052 -7.544 4.035 1.00 50.33 C ATOM 0 H LEU A 23 -15.580 -11.747 1.839 1.00 71.12 H new ATOM 0 HA LEU A 23 -17.114 -9.718 0.553 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.736 -9.926 2.994 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -15.023 -9.641 2.755 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.504 -7.347 1.978 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.762 -6.413 2.246 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.732 -7.717 1.035 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.382 -8.028 2.663 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -16.210 -6.475 4.176 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.772 -8.100 4.635 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -15.041 -7.805 4.347 1.00 50.33 H new ATOM 401 N LEU A 24 -13.918 -9.787 -0.073 1.00 61.11 N ATOM 402 CA LEU A 24 -12.893 -9.207 -0.934 1.00 33.50 C ATOM 403 C LEU A 24 -12.976 -9.793 -2.339 1.00 13.04 C ATOM 404 O LEU A 24 -12.219 -9.394 -3.228 1.00 54.12 O ATOM 405 CB LEU A 24 -11.506 -9.479 -0.356 1.00 1.13 C ATOM 406 CG LEU A 24 -11.275 -9.062 1.095 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.888 -9.458 1.539 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.501 -7.578 1.288 1.00 43.42 C ATOM 0 H LEU A 24 -13.623 -10.620 0.436 1.00 61.11 H new ATOM 0 HA LEU A 24 -13.062 -8.132 -0.987 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.306 -10.547 -0.439 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.772 -8.968 -0.978 1.00 1.13 H new ATOM 0 HG LEU A 24 -12.002 -9.585 1.716 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.737 -9.155 2.575 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.775 -10.539 1.457 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -9.149 -8.967 0.906 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.328 -7.316 2.332 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.812 -7.020 0.655 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.527 -7.328 1.016 1.00 43.42 H new ATOM 420 N GLU A 25 -13.897 -10.746 -2.518 1.00 45.33 N ATOM 421 CA GLU A 25 -14.123 -11.454 -3.788 1.00 22.43 C ATOM 422 C GLU A 25 -12.877 -12.239 -4.216 1.00 63.31 C ATOM 423 O GLU A 25 -12.605 -12.419 -5.414 1.00 72.53 O ATOM 424 CB GLU A 25 -14.566 -10.489 -4.894 1.00 34.10 C ATOM 425 CG GLU A 25 -15.827 -9.715 -4.564 1.00 74.02 C ATOM 426 CD GLU A 25 -16.309 -8.904 -5.727 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.730 -7.834 -6.011 1.00 54.24 O ATOM 428 OE2 GLU A 25 -17.277 -9.336 -6.406 1.00 73.13 O ATOM 0 H GLU A 25 -14.520 -11.055 -1.771 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.930 -12.168 -3.624 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.759 -9.783 -5.092 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.728 -11.054 -5.812 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.609 -10.410 -4.258 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.637 -9.056 -3.717 1.00 74.02 H new ATOM 435 N VAL A 26 -12.170 -12.772 -3.248 1.00 33.53 N ATOM 436 CA VAL A 26 -10.948 -13.505 -3.499 1.00 2.41 C ATOM 437 C VAL A 26 -11.064 -14.915 -2.944 1.00 32.32 C ATOM 438 O VAL A 26 -12.069 -15.273 -2.331 1.00 23.34 O ATOM 439 CB VAL A 26 -9.693 -12.812 -2.884 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.456 -11.454 -3.515 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.817 -12.680 -1.367 1.00 4.10 C ATOM 0 H VAL A 26 -12.425 -12.711 -2.262 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.813 -13.532 -4.580 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.833 -13.446 -3.099 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.575 -10.994 -3.067 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.298 -11.573 -4.587 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.324 -10.817 -3.345 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.926 -12.193 -0.970 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.696 -12.082 -1.124 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.918 -13.670 -0.923 1.00 4.10 H new ATOM 451 N SER A 27 -10.062 -15.700 -3.176 1.00 35.42 N ATOM 452 CA SER A 27 -10.016 -17.039 -2.667 1.00 0.14 C ATOM 453 C SER A 27 -9.323 -17.047 -1.286 1.00 54.44 C ATOM 454 O SER A 27 -8.531 -16.134 -0.969 1.00 24.14 O ATOM 455 CB SER A 27 -9.246 -17.905 -3.663 1.00 23.34 C ATOM 456 OG SER A 27 -9.785 -17.758 -4.984 1.00 1.11 O ATOM 0 H SER A 27 -9.246 -15.432 -3.727 1.00 35.42 H new ATOM 0 HA SER A 27 -11.024 -17.436 -2.543 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.193 -17.622 -3.661 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.296 -18.950 -3.359 1.00 23.34 H new ATOM 0 HG SER A 27 -9.278 -18.318 -5.608 1.00 1.11 H new ATOM 462 N ARG A 28 -9.618 -18.049 -0.477 1.00 33.45 N ATOM 463 CA ARG A 28 -9.010 -18.219 0.837 1.00 2.32 C ATOM 464 C ARG A 28 -7.499 -18.389 0.758 1.00 72.10 C ATOM 465 O ARG A 28 -6.783 -18.014 1.683 1.00 61.25 O ATOM 466 CB ARG A 28 -9.689 -19.336 1.622 1.00 73.14 C ATOM 467 CG ARG A 28 -10.993 -18.895 2.265 1.00 54.32 C ATOM 468 CD ARG A 28 -11.825 -20.068 2.729 1.00 53.33 C ATOM 469 NE ARG A 28 -12.436 -20.775 1.596 1.00 21.14 N ATOM 470 CZ ARG A 28 -13.185 -21.875 1.691 1.00 13.43 C ATOM 471 NH1 ARG A 28 -13.259 -22.536 2.846 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.846 -22.320 0.626 1.00 44.34 N ATOM 0 H ARG A 28 -10.293 -18.777 -0.713 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.175 -17.296 1.393 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.884 -20.176 0.955 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.010 -19.694 2.396 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -10.777 -18.247 3.114 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.567 -18.304 1.551 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.199 -20.758 3.295 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.605 -19.718 3.404 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.275 -20.395 0.663 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -12.742 -22.201 3.659 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -13.832 -23.377 2.917 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -13.780 -21.821 -0.261 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -14.419 -23.161 0.696 1.00 44.34 H new ATOM 486 N GLN A 29 -7.022 -18.928 -0.355 1.00 63.51 N ATOM 487 CA GLN A 29 -5.591 -19.040 -0.635 1.00 73.10 C ATOM 488 C GLN A 29 -4.955 -17.658 -0.625 1.00 21.43 C ATOM 489 O GLN A 29 -3.842 -17.480 -0.145 1.00 63.01 O ATOM 490 CB GLN A 29 -5.391 -19.747 -2.015 1.00 14.11 C ATOM 491 CG GLN A 29 -3.963 -19.752 -2.611 1.00 34.33 C ATOM 492 CD GLN A 29 -3.541 -18.415 -3.256 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.378 -17.655 -3.784 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.276 -18.109 -3.200 1.00 24.53 N ATOM 0 H GLN A 29 -7.616 -19.303 -1.095 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.105 -19.639 0.135 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -5.718 -20.782 -1.914 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.056 -19.272 -2.737 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.253 -20.002 -1.822 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -3.897 -20.541 -3.361 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.615 -18.751 -2.762 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.947 -17.228 -3.594 1.00 24.53 H new ATOM 503 N THR A 30 -5.688 -16.684 -1.108 1.00 21.22 N ATOM 504 CA THR A 30 -5.186 -15.354 -1.222 1.00 0.23 C ATOM 505 C THR A 30 -5.056 -14.706 0.158 1.00 24.14 C ATOM 506 O THR A 30 -3.998 -14.175 0.493 1.00 5.35 O ATOM 507 CB THR A 30 -6.084 -14.539 -2.157 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.201 -15.271 -3.398 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.488 -13.160 -2.435 1.00 50.43 C ATOM 0 H THR A 30 -6.649 -16.801 -1.431 1.00 21.22 H new ATOM 0 HA THR A 30 -4.187 -15.381 -1.657 1.00 0.23 H new ATOM 0 HB THR A 30 -7.058 -14.391 -1.690 1.00 71.41 H new ATOM 0 HG1 THR A 30 -5.518 -15.973 -3.429 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.149 -12.606 -3.102 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.378 -12.615 -1.497 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.511 -13.274 -2.905 1.00 50.43 H new ATOM 517 N ILE A 31 -6.109 -14.789 0.972 1.00 3.24 N ATOM 518 CA ILE A 31 -6.043 -14.240 2.321 1.00 15.23 C ATOM 519 C ILE A 31 -4.993 -14.994 3.169 1.00 54.43 C ATOM 520 O ILE A 31 -4.216 -14.368 3.884 1.00 12.25 O ATOM 521 CB ILE A 31 -7.448 -14.165 3.033 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.346 -13.549 4.438 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.140 -15.509 3.093 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.858 -12.114 4.447 1.00 15.23 C ATOM 0 H ILE A 31 -6.999 -15.222 0.726 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.717 -13.204 2.226 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.062 -13.508 2.417 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.325 -13.592 4.915 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.671 -14.156 5.042 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.103 -15.401 3.593 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.297 -15.883 2.081 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.520 -16.213 3.648 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.813 -11.751 5.474 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.865 -12.065 4.001 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.545 -11.493 3.872 1.00 15.23 H new ATOM 536 N ASN A 32 -4.929 -16.325 3.010 1.00 30.33 N ATOM 537 CA ASN A 32 -3.921 -17.150 3.704 1.00 60.42 C ATOM 538 C ASN A 32 -2.525 -16.716 3.273 1.00 3.24 C ATOM 539 O ASN A 32 -1.627 -16.547 4.096 1.00 13.11 O ATOM 540 CB ASN A 32 -4.102 -18.645 3.365 1.00 64.50 C ATOM 541 CG ASN A 32 -3.098 -19.547 4.089 1.00 24.43 C ATOM 542 OD1 ASN A 32 -2.711 -19.290 5.230 1.00 33.15 O ATOM 543 ND2 ASN A 32 -2.654 -20.587 3.427 1.00 74.02 N ATOM 0 H ASN A 32 -5.561 -16.854 2.409 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.049 -17.012 4.778 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.114 -18.952 3.629 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -3.997 -18.784 2.289 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -1.969 -21.210 3.855 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -2.993 -20.774 2.483 1.00 74.02 H new ATOM 550 N GLY A 33 -2.364 -16.514 1.969 1.00 32.15 N ATOM 551 CA GLY A 33 -1.109 -16.081 1.412 1.00 62.40 C ATOM 552 C GLY A 33 -0.667 -14.740 1.958 1.00 51.22 C ATOM 553 O GLY A 33 0.544 -14.501 2.124 1.00 73.51 O ATOM 0 H GLY A 33 -3.104 -16.648 1.279 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.343 -16.827 1.625 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.199 -16.017 0.328 1.00 62.40 H new ATOM 557 N ILE A 34 -1.626 -13.852 2.196 1.00 55.13 N ATOM 558 CA ILE A 34 -1.353 -12.562 2.804 1.00 14.23 C ATOM 559 C ILE A 34 -0.964 -12.746 4.268 1.00 12.31 C ATOM 560 O ILE A 34 0.036 -12.197 4.709 1.00 62.21 O ATOM 561 CB ILE A 34 -2.575 -11.589 2.701 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.944 -11.305 1.232 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.311 -10.278 3.447 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.840 -10.654 0.420 1.00 51.13 C ATOM 0 H ILE A 34 -2.609 -14.008 1.973 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.526 -12.113 2.254 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.421 -12.086 3.176 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.225 -12.243 0.753 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.823 -10.660 1.210 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.179 -9.626 3.355 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.126 -10.490 4.500 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.439 -9.784 3.018 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.187 -10.491 -0.600 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.573 -9.698 0.870 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.966 -11.305 0.406 1.00 51.13 H new ATOM 576 N GLU A 35 -1.739 -13.541 5.001 1.00 42.35 N ATOM 577 CA GLU A 35 -1.474 -13.810 6.421 1.00 14.13 C ATOM 578 C GLU A 35 -0.115 -14.457 6.646 1.00 62.12 C ATOM 579 O GLU A 35 0.556 -14.172 7.640 1.00 33.44 O ATOM 580 CB GLU A 35 -2.535 -14.695 7.026 1.00 72.22 C ATOM 581 CG GLU A 35 -3.922 -14.117 7.009 1.00 22.14 C ATOM 582 CD GLU A 35 -4.879 -15.013 7.714 1.00 2.35 C ATOM 583 OE1 GLU A 35 -5.330 -16.017 7.127 1.00 14.03 O ATOM 584 OE2 GLU A 35 -5.146 -14.782 8.901 1.00 12.42 O ATOM 0 H GLU A 35 -2.564 -14.016 4.635 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.485 -12.837 6.911 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.545 -15.644 6.490 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.260 -14.914 8.058 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -3.918 -13.136 7.485 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.247 -13.970 5.979 1.00 22.14 H new ATOM 591 N LYS A 36 0.297 -15.303 5.730 1.00 72.42 N ATOM 592 CA LYS A 36 1.587 -15.970 5.824 1.00 3.42 C ATOM 593 C LYS A 36 2.648 -15.146 5.116 1.00 64.33 C ATOM 594 O LYS A 36 3.815 -15.534 5.067 1.00 74.05 O ATOM 595 CB LYS A 36 1.518 -17.375 5.190 1.00 71.34 C ATOM 596 CG LYS A 36 0.584 -18.357 5.905 1.00 73.40 C ATOM 597 CD LYS A 36 1.043 -18.639 7.331 1.00 3.32 C ATOM 598 CE LYS A 36 2.419 -19.294 7.359 1.00 11.20 C ATOM 599 NZ LYS A 36 2.919 -19.447 8.732 1.00 30.21 N ATOM 0 H LYS A 36 -0.244 -15.551 4.902 1.00 72.42 H new ATOM 0 HA LYS A 36 1.847 -16.071 6.878 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.194 -17.275 4.154 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.522 -17.799 5.170 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.427 -17.950 5.922 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.542 -19.291 5.345 1.00 73.40 H new ATOM 0 HD2 LYS A 36 1.072 -17.707 7.896 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.320 -19.289 7.825 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.367 -20.271 6.879 1.00 11.20 H new ATOM 0 HE3 LYS A 36 3.120 -18.692 6.781 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.857 -19.896 8.712 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.992 -18.512 9.181 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 2.262 -20.042 9.276 1.00 30.21 H new ATOM 613 N ASN A 37 2.212 -13.993 4.562 1.00 21.34 N ATOM 614 CA ASN A 37 3.045 -13.061 3.765 1.00 41.10 C ATOM 615 C ASN A 37 3.953 -13.781 2.785 1.00 30.41 C ATOM 616 O ASN A 37 5.096 -13.391 2.549 1.00 2.25 O ATOM 617 CB ASN A 37 3.797 -12.000 4.625 1.00 42.23 C ATOM 618 CG ASN A 37 4.645 -12.554 5.758 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.161 -12.712 6.883 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.892 -12.842 5.491 1.00 15.22 N ATOM 0 H ASN A 37 1.247 -13.676 4.658 1.00 21.34 H new ATOM 0 HA ASN A 37 2.341 -12.487 3.163 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.439 -11.415 3.967 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.063 -11.314 5.047 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.499 -13.210 6.224 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.258 -12.699 4.550 1.00 15.22 H new ATOM 627 N LYS A 38 3.393 -14.799 2.163 1.00 23.05 N ATOM 628 CA LYS A 38 4.109 -15.626 1.221 1.00 71.21 C ATOM 629 C LYS A 38 3.699 -15.200 -0.170 1.00 63.12 C ATOM 630 O LYS A 38 4.411 -15.392 -1.153 1.00 54.40 O ATOM 631 CB LYS A 38 3.748 -17.104 1.460 1.00 54.41 C ATOM 632 CG LYS A 38 4.501 -18.085 0.573 1.00 51.33 C ATOM 633 CD LYS A 38 4.100 -19.532 0.826 1.00 14.11 C ATOM 634 CE LYS A 38 2.634 -19.782 0.510 1.00 53.22 C ATOM 635 NZ LYS A 38 2.278 -21.205 0.654 1.00 30.43 N ATOM 0 H LYS A 38 2.421 -15.075 2.300 1.00 23.05 H new ATOM 0 HA LYS A 38 5.186 -15.513 1.342 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.946 -17.350 2.503 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.678 -17.235 1.299 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.317 -17.839 -0.473 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.572 -17.974 0.743 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.719 -20.191 0.218 1.00 14.11 H new ATOM 0 HD3 LYS A 38 4.294 -19.785 1.868 1.00 14.11 H new ATOM 0 HE2 LYS A 38 2.012 -19.183 1.174 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.421 -19.455 -0.508 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 1.271 -21.335 0.430 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 2.854 -21.775 0.002 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 2.458 -21.511 1.632 1.00 30.43 H new ATOM 649 N TYR A 39 2.546 -14.589 -0.223 1.00 74.05 N ATOM 650 CA TYR A 39 1.944 -14.122 -1.444 1.00 12.53 C ATOM 651 C TYR A 39 2.572 -12.805 -1.881 1.00 13.41 C ATOM 652 O TYR A 39 2.581 -12.480 -3.071 1.00 2.12 O ATOM 653 CB TYR A 39 0.454 -13.906 -1.148 1.00 73.50 C ATOM 654 CG TYR A 39 -0.401 -13.516 -2.310 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.955 -14.483 -3.102 1.00 62.14 C ATOM 656 CD2 TYR A 39 -0.662 -12.186 -2.603 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.755 -14.150 -4.178 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.455 -11.837 -3.666 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.999 -12.821 -4.454 1.00 33.11 C ATOM 660 OH TYR A 39 -2.785 -12.470 -5.529 1.00 24.32 O ATOM 0 H TYR A 39 1.983 -14.397 0.606 1.00 74.05 H new ATOM 0 HA TYR A 39 2.093 -14.845 -2.245 1.00 12.53 H new ATOM 0 HB2 TYR A 39 0.053 -14.825 -0.721 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.365 -13.134 -0.383 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.764 -15.523 -2.883 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.234 -11.412 -1.984 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.185 -14.923 -4.797 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -1.650 -10.797 -3.882 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.855 -11.494 -5.578 1.00 24.32 H new ATOM 670 N ASN A 40 3.151 -12.100 -0.911 1.00 43.42 N ATOM 671 CA ASN A 40 3.604 -10.703 -1.068 1.00 41.25 C ATOM 672 C ASN A 40 2.377 -9.823 -1.234 1.00 40.41 C ATOM 673 O ASN A 40 1.722 -9.852 -2.276 1.00 21.44 O ATOM 674 CB ASN A 40 4.598 -10.477 -2.233 1.00 44.44 C ATOM 675 CG ASN A 40 5.068 -9.024 -2.322 1.00 2.30 C ATOM 676 OD1 ASN A 40 6.065 -8.649 -1.703 1.00 64.13 O ATOM 677 ND2 ASN A 40 4.369 -8.201 -3.077 1.00 53.45 N ATOM 0 H ASN A 40 3.325 -12.479 0.020 1.00 43.42 H new ATOM 0 HA ASN A 40 4.165 -10.441 -0.171 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.462 -11.129 -2.102 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.124 -10.761 -3.172 1.00 44.44 H new ATOM 0 HD21 ASN A 40 4.649 -7.224 -3.161 1.00 53.45 H new ATOM 0 HD22 ASN A 40 3.548 -8.541 -3.578 1.00 53.45 H new ATOM 684 N PRO A 41 2.021 -9.071 -0.193 1.00 2.41 N ATOM 685 CA PRO A 41 0.808 -8.261 -0.182 1.00 33.40 C ATOM 686 C PRO A 41 0.753 -7.220 -1.294 1.00 61.13 C ATOM 687 O PRO A 41 1.468 -6.207 -1.262 1.00 2.50 O ATOM 688 CB PRO A 41 0.824 -7.578 1.196 1.00 23.24 C ATOM 689 CG PRO A 41 1.750 -8.406 2.016 1.00 52.51 C ATOM 690 CD PRO A 41 2.778 -8.926 1.060 1.00 12.41 C ATOM 0 HA PRO A 41 -0.070 -8.884 -0.355 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.173 -6.548 1.124 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.173 -7.547 1.634 1.00 23.24 H new ATOM 0 HG2 PRO A 41 2.213 -7.812 2.805 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.218 -9.224 2.503 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.613 -8.234 0.949 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.194 -9.877 1.393 1.00 12.41 H new ATOM 698 N SER A 42 -0.031 -7.516 -2.308 1.00 32.11 N ATOM 699 CA SER A 42 -0.323 -6.577 -3.347 1.00 31.54 C ATOM 700 C SER A 42 -1.177 -5.483 -2.704 1.00 35.33 C ATOM 701 O SER A 42 -2.065 -5.802 -1.896 1.00 31.14 O ATOM 702 CB SER A 42 -1.096 -7.299 -4.445 1.00 33.24 C ATOM 703 OG SER A 42 -0.436 -8.510 -4.809 1.00 63.24 O ATOM 0 H SER A 42 -0.482 -8.423 -2.427 1.00 32.11 H new ATOM 0 HA SER A 42 0.574 -6.145 -3.791 1.00 31.54 H new ATOM 0 HB2 SER A 42 -2.107 -7.518 -4.102 1.00 33.24 H new ATOM 0 HB3 SER A 42 -1.189 -6.652 -5.318 1.00 33.24 H new ATOM 0 HG SER A 42 -0.946 -8.962 -5.513 1.00 63.24 H new ATOM 709 N LEU A 43 -0.940 -4.230 -3.056 1.00 41.22 N ATOM 710 CA LEU A 43 -1.572 -3.120 -2.366 1.00 3.42 C ATOM 711 C LEU A 43 -3.085 -3.139 -2.520 1.00 71.35 C ATOM 712 O LEU A 43 -3.784 -2.914 -1.550 1.00 31.14 O ATOM 713 CB LEU A 43 -0.928 -1.755 -2.761 1.00 34.44 C ATOM 714 CG LEU A 43 -1.397 -0.456 -2.016 1.00 23.40 C ATOM 715 CD1 LEU A 43 -2.738 0.057 -2.535 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.464 -0.680 -0.492 1.00 44.53 C ATOM 0 H LEU A 43 -0.315 -3.957 -3.815 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.384 -3.246 -1.300 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.149 -1.845 -2.621 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.100 -1.605 -3.827 1.00 34.44 H new ATOM 0 HG LEU A 43 -0.649 0.309 -2.225 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.020 0.957 -1.988 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -2.653 0.289 -3.597 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.501 -0.708 -2.391 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -1.792 0.238 -0.003 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.171 -1.480 -0.273 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.477 -0.956 -0.121 1.00 44.53 H new ATOM 728 N GLN A 44 -3.591 -3.446 -3.716 1.00 2.30 N ATOM 729 CA GLN A 44 -5.043 -3.487 -3.949 1.00 25.44 C ATOM 730 C GLN A 44 -5.724 -4.457 -2.980 1.00 14.52 C ATOM 731 O GLN A 44 -6.723 -4.123 -2.336 1.00 12.34 O ATOM 732 CB GLN A 44 -5.329 -3.917 -5.385 1.00 43.20 C ATOM 733 CG GLN A 44 -4.755 -2.992 -6.447 1.00 23.12 C ATOM 734 CD GLN A 44 -4.957 -3.534 -7.847 1.00 1.11 C ATOM 735 OE1 GLN A 44 -5.929 -4.237 -8.121 1.00 21.35 O ATOM 736 NE2 GLN A 44 -4.036 -3.253 -8.730 1.00 45.30 N ATOM 0 H GLN A 44 -3.025 -3.669 -4.535 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.443 -2.487 -3.780 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.927 -4.919 -5.538 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -6.408 -3.982 -5.523 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -5.227 -2.013 -6.367 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -3.690 -2.849 -6.265 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -3.243 -2.667 -8.470 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -4.110 -3.620 -9.679 1.00 45.30 H new ATOM 745 N LEU A 45 -5.158 -5.647 -2.870 1.00 33.52 N ATOM 746 CA LEU A 45 -5.678 -6.661 -1.971 1.00 33.42 C ATOM 747 C LEU A 45 -5.502 -6.242 -0.519 1.00 12.12 C ATOM 748 O LEU A 45 -6.445 -6.298 0.262 1.00 53.21 O ATOM 749 CB LEU A 45 -5.035 -8.052 -2.215 1.00 75.22 C ATOM 750 CG LEU A 45 -5.345 -8.762 -3.555 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.840 -8.840 -3.807 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.620 -8.123 -4.732 1.00 1.23 C ATOM 0 H LEU A 45 -4.333 -5.935 -3.396 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.743 -6.754 -2.184 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.954 -7.940 -2.137 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -5.346 -8.712 -1.406 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.965 -9.780 -3.465 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -7.023 -9.344 -4.756 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -7.316 -9.399 -3.001 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -7.256 -7.833 -3.845 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.871 -8.658 -5.648 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.925 -7.081 -4.825 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.544 -8.172 -4.567 1.00 1.23 H new ATOM 764 N ALA A 46 -4.310 -5.764 -0.190 1.00 72.35 N ATOM 765 CA ALA A 46 -3.976 -5.358 1.173 1.00 41.10 C ATOM 766 C ALA A 46 -4.878 -4.226 1.655 1.00 44.34 C ATOM 767 O ALA A 46 -5.336 -4.228 2.800 1.00 24.52 O ATOM 768 CB ALA A 46 -2.515 -4.944 1.264 1.00 4.33 C ATOM 0 H ALA A 46 -3.547 -5.646 -0.857 1.00 72.35 H new ATOM 0 HA ALA A 46 -4.140 -6.217 1.823 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.285 -4.645 2.287 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.881 -5.784 0.980 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.332 -4.107 0.591 1.00 4.33 H new ATOM 774 N LEU A 47 -5.157 -3.288 0.771 1.00 33.43 N ATOM 775 CA LEU A 47 -5.974 -2.150 1.101 1.00 23.45 C ATOM 776 C LEU A 47 -7.419 -2.563 1.313 1.00 50.21 C ATOM 777 O LEU A 47 -8.065 -2.072 2.232 1.00 21.23 O ATOM 778 CB LEU A 47 -5.827 -1.032 0.028 1.00 32.41 C ATOM 779 CG LEU A 47 -6.554 0.319 0.270 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.054 0.244 -0.036 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.323 0.799 1.701 1.00 70.53 C ATOM 0 H LEU A 47 -4.822 -3.298 -0.192 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.623 -1.733 2.045 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.764 -0.821 -0.090 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.179 -1.434 -0.922 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.125 1.041 -0.425 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.512 1.215 0.150 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.199 -0.031 -1.081 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.519 -0.505 0.605 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -6.839 1.747 1.855 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -6.710 0.058 2.400 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.255 0.936 1.871 1.00 70.53 H new ATOM 793 N LYS A 48 -7.937 -3.464 0.494 1.00 52.33 N ATOM 794 CA LYS A 48 -9.313 -3.860 0.690 1.00 54.10 C ATOM 795 C LYS A 48 -9.489 -4.612 2.003 1.00 25.41 C ATOM 796 O LYS A 48 -10.494 -4.435 2.689 1.00 42.33 O ATOM 797 CB LYS A 48 -9.960 -4.559 -0.525 1.00 63.32 C ATOM 798 CG LYS A 48 -9.281 -5.817 -1.034 1.00 23.52 C ATOM 799 CD LYS A 48 -10.055 -6.413 -2.210 1.00 64.34 C ATOM 800 CE LYS A 48 -10.140 -5.442 -3.386 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.961 -5.975 -4.493 1.00 33.32 N ATOM 0 H LYS A 48 -7.448 -3.916 -0.279 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.886 -2.937 0.773 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.988 -4.810 -0.264 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -10.005 -3.842 -1.345 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -8.262 -5.586 -1.343 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -9.212 -6.549 -0.230 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -9.571 -7.334 -2.534 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -11.061 -6.679 -1.885 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.563 -4.497 -3.045 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -9.136 -5.228 -3.751 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.990 -5.282 -5.268 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.544 -6.863 -4.838 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.927 -6.155 -4.153 1.00 33.32 H new ATOM 815 N ILE A 49 -8.482 -5.402 2.380 1.00 54.11 N ATOM 816 CA ILE A 49 -8.495 -6.076 3.680 1.00 1.24 C ATOM 817 C ILE A 49 -8.515 -5.010 4.792 1.00 2.41 C ATOM 818 O ILE A 49 -9.323 -5.072 5.716 1.00 64.12 O ATOM 819 CB ILE A 49 -7.234 -6.972 3.893 1.00 62.52 C ATOM 820 CG1 ILE A 49 -7.059 -7.965 2.746 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.346 -7.726 5.215 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.797 -8.799 2.828 1.00 35.31 C ATOM 0 H ILE A 49 -7.656 -5.590 1.811 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.379 -6.713 3.712 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.360 -6.321 3.917 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.920 -8.633 2.725 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -7.057 -7.417 1.804 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.462 -8.348 5.355 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.421 -7.012 6.036 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.235 -8.357 5.200 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.753 -9.476 1.975 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.926 -8.143 2.816 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.803 -9.378 3.751 1.00 35.31 H new ATOM 834 N ALA A 50 -7.671 -3.998 4.621 1.00 44.20 N ATOM 835 CA ALA A 50 -7.510 -2.907 5.583 1.00 11.21 C ATOM 836 C ALA A 50 -8.788 -2.120 5.746 1.00 70.10 C ATOM 837 O ALA A 50 -9.207 -1.803 6.858 1.00 34.45 O ATOM 838 CB ALA A 50 -6.424 -1.972 5.111 1.00 53.40 C ATOM 0 H ALA A 50 -7.071 -3.909 3.801 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.246 -3.348 6.544 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.306 -1.160 5.829 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.485 -2.519 5.024 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.695 -1.560 4.139 1.00 53.40 H new ATOM 844 N TYR A 51 -9.390 -1.809 4.631 1.00 50.04 N ATOM 845 CA TYR A 51 -10.596 -1.045 4.581 1.00 11.22 C ATOM 846 C TYR A 51 -11.761 -1.795 5.230 1.00 40.54 C ATOM 847 O TYR A 51 -12.479 -1.232 6.048 1.00 51.22 O ATOM 848 CB TYR A 51 -10.899 -0.667 3.124 1.00 31.54 C ATOM 849 CG TYR A 51 -12.220 0.014 2.909 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.388 1.367 3.160 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.298 -0.709 2.459 1.00 52.31 C ATOM 852 CE1 TYR A 51 -13.611 1.973 2.963 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.523 -0.119 2.258 1.00 14.05 C ATOM 854 CZ TYR A 51 -14.676 1.223 2.512 1.00 45.04 C ATOM 855 OH TYR A 51 -15.902 1.820 2.313 1.00 12.24 O ATOM 0 H TYR A 51 -9.044 -2.089 3.713 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.461 -0.129 5.157 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.106 -0.013 2.761 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.870 -1.571 2.516 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -11.552 1.953 3.514 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.180 -1.764 2.259 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -13.734 3.028 3.161 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.358 -0.705 1.904 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.543 1.152 1.993 1.00 12.24 H new ATOM 865 N TYR A 52 -11.935 -3.060 4.889 1.00 52.41 N ATOM 866 CA TYR A 52 -13.048 -3.837 5.434 1.00 3.45 C ATOM 867 C TYR A 52 -12.860 -4.220 6.901 1.00 25.43 C ATOM 868 O TYR A 52 -13.831 -4.372 7.635 1.00 40.30 O ATOM 869 CB TYR A 52 -13.429 -5.020 4.545 1.00 51.32 C ATOM 870 CG TYR A 52 -14.066 -4.569 3.244 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.355 -4.058 3.236 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.386 -4.634 2.042 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.941 -3.622 2.071 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.966 -4.205 0.868 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.247 -3.697 0.891 1.00 75.33 C ATOM 876 OH TYR A 52 -15.832 -3.243 -0.268 1.00 10.50 O ATOM 0 H TYR A 52 -11.331 -3.571 4.245 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.908 -3.168 5.426 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.540 -5.612 4.328 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -14.121 -5.669 5.082 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.909 -4.001 4.162 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.381 -5.029 2.023 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.944 -3.222 2.085 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.421 -4.266 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.212 -3.364 -1.017 1.00 10.50 H new ATOM 886 N LEU A 53 -11.621 -4.365 7.322 1.00 43.52 N ATOM 887 CA LEU A 53 -11.328 -4.603 8.739 1.00 35.04 C ATOM 888 C LEU A 53 -11.339 -3.283 9.506 1.00 52.42 C ATOM 889 O LEU A 53 -11.380 -3.267 10.745 1.00 34.31 O ATOM 890 CB LEU A 53 -9.986 -5.327 8.937 1.00 34.25 C ATOM 891 CG LEU A 53 -9.914 -6.777 8.437 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.521 -7.342 8.656 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.945 -7.640 9.145 1.00 30.33 C ATOM 0 H LEU A 53 -10.800 -4.324 6.718 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.108 -5.255 9.132 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.210 -4.752 8.432 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.747 -5.320 10.000 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.133 -6.782 7.369 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.485 -8.370 8.297 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.794 -6.741 8.109 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.283 -7.321 9.719 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.878 -8.664 8.776 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.755 -7.627 10.218 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.943 -7.249 8.949 1.00 30.33 H new ATOM 904 N ASN A 54 -11.385 -2.191 8.739 1.00 23.44 N ATOM 905 CA ASN A 54 -11.341 -0.804 9.224 1.00 34.54 C ATOM 906 C ASN A 54 -10.120 -0.586 10.102 1.00 23.31 C ATOM 907 O ASN A 54 -10.219 -0.566 11.334 1.00 53.04 O ATOM 908 CB ASN A 54 -12.621 -0.414 9.989 1.00 0.13 C ATOM 909 CG ASN A 54 -12.687 1.074 10.299 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.241 1.906 9.508 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.200 1.425 11.447 1.00 61.11 N ATOM 0 H ASN A 54 -11.457 -2.248 7.723 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.274 -0.160 8.347 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.493 -0.698 9.399 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.669 -0.978 10.921 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.239 2.410 11.708 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.562 0.714 12.083 1.00 61.11 H new ATOM 918 N THR A 55 -8.961 -0.527 9.492 1.00 45.02 N ATOM 919 CA THR A 55 -7.735 -0.374 10.216 1.00 24.13 C ATOM 920 C THR A 55 -6.711 0.265 9.265 1.00 75.14 C ATOM 921 O THR A 55 -6.735 -0.024 8.056 1.00 45.22 O ATOM 922 CB THR A 55 -7.229 -1.781 10.721 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.260 -2.435 11.495 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.002 -1.648 11.598 1.00 53.13 C ATOM 0 H THR A 55 -8.847 -0.584 8.480 1.00 45.02 H new ATOM 0 HA THR A 55 -7.877 0.260 11.091 1.00 24.13 H new ATOM 0 HB THR A 55 -6.980 -2.368 9.837 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.846 -3.014 12.168 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.681 -2.636 11.927 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.199 -1.176 11.031 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.241 -1.036 12.467 1.00 53.13 H new ATOM 932 N PRO A 56 -5.877 1.212 9.752 1.00 2.53 N ATOM 933 CA PRO A 56 -4.827 1.817 8.938 1.00 62.14 C ATOM 934 C PRO A 56 -3.827 0.774 8.464 1.00 22.43 C ATOM 935 O PRO A 56 -3.555 -0.214 9.178 1.00 73.34 O ATOM 936 CB PRO A 56 -4.132 2.808 9.890 1.00 52.13 C ATOM 937 CG PRO A 56 -4.544 2.385 11.258 1.00 3.21 C ATOM 938 CD PRO A 56 -5.911 1.785 11.110 1.00 22.03 C ATOM 0 HA PRO A 56 -5.231 2.290 8.043 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.049 2.771 9.775 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.440 3.833 9.685 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.842 1.660 11.670 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.562 3.235 11.940 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.101 1.022 11.865 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.694 2.536 11.212 1.00 22.03 H new ATOM 946 N LEU A 57 -3.291 0.995 7.280 1.00 62.42 N ATOM 947 CA LEU A 57 -2.295 0.118 6.672 1.00 13.13 C ATOM 948 C LEU A 57 -1.129 -0.085 7.609 1.00 71.12 C ATOM 949 O LEU A 57 -0.644 -1.201 7.769 1.00 53.41 O ATOM 950 CB LEU A 57 -1.785 0.726 5.358 1.00 34.12 C ATOM 951 CG LEU A 57 -2.814 0.895 4.245 1.00 42.20 C ATOM 952 CD1 LEU A 57 -2.183 1.570 3.041 1.00 35.04 C ATOM 953 CD2 LEU A 57 -3.378 -0.454 3.855 1.00 13.21 C ATOM 0 H LEU A 57 -3.535 1.798 6.701 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.766 -0.844 6.470 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.356 1.703 5.578 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.976 0.099 4.983 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.626 1.525 4.608 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -2.929 1.684 2.255 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.807 2.552 3.330 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -1.358 0.960 2.673 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -4.112 -0.325 3.060 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.572 -1.098 3.504 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -3.857 -0.912 4.720 1.00 13.21 H new ATOM 964 N GLU A 58 -0.744 0.997 8.257 1.00 41.15 N ATOM 965 CA GLU A 58 0.368 1.035 9.199 1.00 25.13 C ATOM 966 C GLU A 58 0.170 0.063 10.359 1.00 23.31 C ATOM 967 O GLU A 58 1.123 -0.527 10.848 1.00 41.22 O ATOM 968 CB GLU A 58 0.545 2.449 9.801 1.00 25.40 C ATOM 969 CG GLU A 58 0.562 3.611 8.810 1.00 63.30 C ATOM 970 CD GLU A 58 -0.814 4.073 8.390 1.00 34.03 C ATOM 971 OE1 GLU A 58 -1.372 3.533 7.423 1.00 53.22 O ATOM 972 OE2 GLU A 58 -1.354 5.005 9.028 1.00 71.30 O ATOM 0 H GLU A 58 -1.205 1.900 8.143 1.00 41.15 H new ATOM 0 HA GLU A 58 1.251 0.750 8.628 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.261 2.620 10.514 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.478 2.466 10.364 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.096 4.450 9.257 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.121 3.312 7.923 1.00 63.30 H new ATOM 979 N ASP A 59 -1.054 -0.055 10.836 1.00 34.01 N ATOM 980 CA ASP A 59 -1.336 -0.932 11.970 1.00 63.41 C ATOM 981 C ASP A 59 -1.265 -2.399 11.560 1.00 42.14 C ATOM 982 O ASP A 59 -0.717 -3.244 12.280 1.00 72.41 O ATOM 983 CB ASP A 59 -2.684 -0.603 12.616 1.00 22.41 C ATOM 984 CG ASP A 59 -2.910 -1.363 13.910 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.170 -1.111 14.891 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.832 -2.180 13.995 1.00 14.52 O ATOM 0 H ASP A 59 -1.866 0.438 10.464 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.565 -0.755 12.720 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.737 0.468 12.813 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.486 -0.838 11.916 1.00 22.41 H new ATOM 991 N ILE A 60 -1.802 -2.681 10.387 1.00 25.13 N ATOM 992 CA ILE A 60 -1.877 -4.039 9.861 1.00 73.13 C ATOM 993 C ILE A 60 -0.509 -4.543 9.427 1.00 51.12 C ATOM 994 O ILE A 60 -0.046 -5.610 9.863 1.00 44.15 O ATOM 995 CB ILE A 60 -2.889 -4.168 8.702 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.258 -3.662 9.155 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.985 -5.624 8.258 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.337 -3.754 8.108 1.00 50.54 C ATOM 0 H ILE A 60 -2.201 -1.975 9.768 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.235 -4.664 10.679 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.551 -3.566 7.859 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.570 -4.231 10.031 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.161 -2.622 9.468 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.701 -5.709 7.440 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.007 -5.967 7.921 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.316 -6.239 9.095 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.273 -3.374 8.516 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.052 -3.161 7.239 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.467 -4.794 7.810 1.00 50.54 H new ATOM 1010 N PHE A 61 0.136 -3.786 8.575 1.00 35.15 N ATOM 1011 CA PHE A 61 1.427 -4.165 8.095 1.00 22.52 C ATOM 1012 C PHE A 61 2.427 -3.201 8.634 1.00 61.31 C ATOM 1013 O PHE A 61 2.191 -2.002 8.658 1.00 64.35 O ATOM 1014 CB PHE A 61 1.471 -4.145 6.548 1.00 0.12 C ATOM 1015 CG PHE A 61 0.496 -5.075 5.885 1.00 21.33 C ATOM 1016 CD1 PHE A 61 0.785 -6.420 5.746 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.706 -4.597 5.393 1.00 50.52 C ATOM 1018 CE1 PHE A 61 -0.108 -7.273 5.130 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.603 -5.444 4.779 1.00 53.10 C ATOM 1020 CZ PHE A 61 -1.304 -6.784 4.645 1.00 22.32 C ATOM 0 H PHE A 61 -0.218 -2.904 8.204 1.00 35.15 H new ATOM 0 HA PHE A 61 1.651 -5.179 8.426 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.276 -3.129 6.205 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.479 -4.403 6.222 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.720 -6.807 6.124 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.944 -3.548 5.491 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.129 -8.322 5.028 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.539 -5.059 4.403 1.00 53.10 H new ATOM 0 HZ PHE A 61 -2.004 -7.449 4.162 1.00 22.32 H new ATOM 1030 N GLN A 62 3.545 -3.702 9.028 1.00 72.24 N ATOM 1031 CA GLN A 62 4.556 -2.875 9.558 1.00 2.15 C ATOM 1032 C GLN A 62 5.710 -2.886 8.621 1.00 41.21 C ATOM 1033 O GLN A 62 6.224 -3.944 8.259 1.00 54.12 O ATOM 1034 CB GLN A 62 4.990 -3.382 10.921 1.00 43.12 C ATOM 1035 CG GLN A 62 5.960 -2.468 11.648 1.00 54.21 C ATOM 1036 CD GLN A 62 6.428 -3.049 12.960 1.00 62.30 C ATOM 1037 OE1 GLN A 62 7.530 -2.776 13.409 1.00 51.34 O ATOM 1038 NE2 GLN A 62 5.603 -3.842 13.592 1.00 41.41 N ATOM 0 H GLN A 62 3.778 -4.694 8.990 1.00 72.24 H new ATOM 0 HA GLN A 62 4.178 -1.859 9.676 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.105 -3.521 11.542 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.453 -4.362 10.801 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.823 -2.278 11.010 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.481 -1.506 11.831 1.00 54.21 H new ATOM 0 HE21 GLN A 62 4.689 -4.051 13.191 1.00 41.41 H new ATOM 0 HE22 GLN A 62 5.874 -4.252 14.486 1.00 41.41 H new ATOM 1047 N TRP A 63 6.103 -1.747 8.220 1.00 13.44 N ATOM 1048 CA TRP A 63 7.218 -1.605 7.369 1.00 61.35 C ATOM 1049 C TRP A 63 8.383 -1.087 8.135 1.00 61.52 C ATOM 1050 O TRP A 63 8.263 -0.137 8.909 1.00 24.43 O ATOM 1051 CB TRP A 63 6.887 -0.720 6.174 1.00 14.01 C ATOM 1052 CG TRP A 63 6.079 0.505 6.500 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.525 1.700 6.996 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.668 0.645 6.322 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.471 2.566 7.144 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.320 1.943 6.731 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.664 -0.210 5.850 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.013 2.409 6.679 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.368 0.255 5.799 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.054 1.551 6.210 1.00 31.53 C ATOM 0 H TRP A 63 5.654 -0.868 8.476 1.00 13.44 H new ATOM 0 HA TRP A 63 7.484 -2.585 6.974 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.819 -0.408 5.702 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.341 -1.313 5.441 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.553 1.928 7.235 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.533 3.519 7.503 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.901 -1.215 5.532 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.762 3.410 6.996 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.584 -0.393 5.436 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.029 1.886 6.157 1.00 31.53 H new ATOM 1071 N GLN A 64 9.482 -1.741 7.986 1.00 35.50 N ATOM 1072 CA GLN A 64 10.704 -1.344 8.612 1.00 11.44 C ATOM 1073 C GLN A 64 11.751 -1.169 7.538 1.00 30.22 C ATOM 1074 O GLN A 64 12.419 -2.133 7.175 1.00 33.31 O ATOM 1075 CB GLN A 64 11.183 -2.407 9.624 1.00 44.22 C ATOM 1076 CG GLN A 64 10.245 -2.663 10.795 1.00 32.13 C ATOM 1077 CD GLN A 64 10.128 -1.482 11.736 1.00 24.43 C ATOM 1078 OE1 GLN A 64 10.889 -1.357 12.688 1.00 13.50 O ATOM 1079 NE2 GLN A 64 9.201 -0.611 11.479 1.00 53.21 N ATOM 0 H GLN A 64 9.563 -2.583 7.416 1.00 35.50 H new ATOM 0 HA GLN A 64 10.541 -0.412 9.153 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.338 -3.346 9.093 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.152 -2.099 10.017 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.256 -2.913 10.412 1.00 32.13 H new ATOM 0 HG3 GLN A 64 10.599 -3.530 11.353 1.00 32.13 H new ATOM 0 HE21 GLN A 64 8.584 -0.745 10.678 1.00 53.21 H new ATOM 0 HE22 GLN A 64 9.090 0.207 12.078 1.00 53.21 H new ATOM 1088 N PRO A 65 11.832 0.018 6.913 1.00 63.05 N ATOM 1089 CA PRO A 65 12.875 0.299 5.931 1.00 13.14 C ATOM 1090 C PRO A 65 14.218 0.318 6.635 1.00 44.11 C ATOM 1091 O PRO A 65 15.194 -0.280 6.182 1.00 4.41 O ATOM 1092 CB PRO A 65 12.521 1.705 5.407 1.00 11.15 C ATOM 1093 CG PRO A 65 11.096 1.911 5.792 1.00 34.32 C ATOM 1094 CD PRO A 65 10.908 1.157 7.070 1.00 62.43 C ATOM 0 HA PRO A 65 12.934 -0.437 5.129 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.164 2.465 5.851 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.651 1.768 4.327 1.00 11.15 H new ATOM 0 HG2 PRO A 65 10.876 2.970 5.926 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.424 1.542 5.017 1.00 34.32 H new ATOM 0 HD2 PRO A 65 11.159 1.765 7.939 1.00 62.43 H new ATOM 0 HD3 PRO A 65 9.877 0.827 7.198 1.00 62.43 H new ATOM 1102 N GLU A 66 14.224 0.941 7.785 1.00 22.55 N ATOM 1103 CA GLU A 66 15.392 1.059 8.601 1.00 60.44 C ATOM 1104 C GLU A 66 15.131 0.300 9.893 1.00 3.22 C ATOM 1105 O GLU A 66 15.599 -0.849 10.021 1.00 11.44 O ATOM 1106 CB GLU A 66 15.690 2.531 8.902 1.00 14.51 C ATOM 1107 CG GLU A 66 15.827 3.426 7.669 1.00 33.32 C ATOM 1108 CD GLU A 66 16.922 2.994 6.721 1.00 75.24 C ATOM 1109 OE1 GLU A 66 18.106 3.005 7.123 1.00 31.01 O ATOM 1110 OE2 GLU A 66 16.620 2.697 5.533 1.00 24.43 O ATOM 1111 OXT GLU A 66 14.366 0.813 10.744 1.00 0.00 O ATOM 0 H GLU A 66 13.398 1.387 8.183 1.00 22.55 H new ATOM 0 HA GLU A 66 16.257 0.645 8.083 1.00 60.44 H new ATOM 0 HB2 GLU A 66 14.894 2.926 9.533 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.613 2.589 9.479 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.878 3.437 7.133 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.022 4.448 7.993 1.00 33.32 H new ATOM 1119 N MET B 67 -11.101 1.867 -8.016 1.00 4.52 N ATOM 1120 CA MET B 67 -10.554 3.021 -8.723 1.00 15.43 C ATOM 1121 C MET B 67 -9.418 3.638 -7.932 1.00 54.41 C ATOM 1122 O MET B 67 -9.612 4.071 -6.795 1.00 33.23 O ATOM 1123 CB MET B 67 -11.650 4.064 -8.985 1.00 32.24 C ATOM 1124 CG MET B 67 -11.149 5.350 -9.623 1.00 0.23 C ATOM 1125 SD MET B 67 -10.269 5.073 -11.168 1.00 54.32 S ATOM 1126 CE MET B 67 -9.781 6.752 -11.570 1.00 74.51 C ATOM 0 HA MET B 67 -10.165 2.681 -9.683 1.00 15.43 H new ATOM 0 HB2 MET B 67 -12.408 3.623 -9.632 1.00 32.24 H new ATOM 0 HB3 MET B 67 -12.138 4.306 -8.041 1.00 32.24 H new ATOM 0 HG2 MET B 67 -11.996 6.011 -9.807 1.00 0.23 H new ATOM 0 HG3 MET B 67 -10.490 5.863 -8.923 1.00 0.23 H new ATOM 0 HE1 MET B 67 -9.533 6.815 -12.629 1.00 74.51 H new ATOM 0 HE2 MET B 67 -10.603 7.433 -11.349 1.00 74.51 H new ATOM 0 HE3 MET B 67 -8.910 7.030 -10.976 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.243 3.646 -8.509 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.086 4.248 -7.892 1.00 32.41 C ATOM 1140 C ILE B 68 -6.801 5.598 -8.558 1.00 45.13 C ATOM 1141 O ILE B 68 -6.742 5.699 -9.787 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.826 3.324 -8.003 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.089 1.946 -7.356 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.590 3.982 -7.376 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -6.446 1.995 -5.880 1.00 54.01 C ATOM 0 H ILE B 68 -8.060 3.234 -9.424 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.300 4.391 -6.833 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.626 3.174 -9.064 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.899 1.455 -7.896 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.201 1.326 -7.481 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.734 3.313 -7.471 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.377 4.919 -7.890 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.780 4.181 -6.321 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.613 0.983 -5.512 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.629 2.453 -5.323 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -7.353 2.584 -5.744 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.648 6.614 -7.749 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.348 7.959 -8.194 1.00 25.12 C ATOM 1159 C ILE B 69 -4.991 8.287 -7.616 1.00 13.31 C ATOM 1160 O ILE B 69 -4.772 8.087 -6.421 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.386 9.042 -7.673 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -8.833 8.784 -8.156 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -6.960 10.456 -8.054 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.554 7.664 -7.438 1.00 2.41 C ATOM 0 H ILE B 69 -6.730 6.531 -6.736 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.388 7.991 -9.283 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.383 8.946 -6.587 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -9.409 9.702 -8.038 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -8.810 8.557 -9.222 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -7.694 11.170 -7.681 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -5.986 10.673 -7.615 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -6.895 10.536 -9.139 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.560 7.559 -7.845 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.007 6.731 -7.577 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.616 7.894 -6.374 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.087 8.747 -8.416 1.00 20.22 N ATOM 1177 CA ASN B 70 -2.760 9.024 -7.942 1.00 24.23 C ATOM 1178 C ASN B 70 -2.585 10.513 -7.701 1.00 32.00 C ATOM 1179 O ASN B 70 -2.883 11.325 -8.577 1.00 60.31 O ATOM 1180 CB ASN B 70 -1.738 8.530 -8.962 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.325 8.762 -8.508 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.042 8.782 -7.328 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.564 8.955 -9.425 1.00 33.01 N ATOM 0 H ASN B 70 -4.238 8.942 -9.406 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.604 8.502 -6.998 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -1.890 7.465 -9.140 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -1.901 9.039 -9.912 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.535 9.130 -9.165 1.00 33.01 H new ATOM 0 HD22 ASN B 70 0.295 8.932 -10.409 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.108 10.868 -6.523 1.00 65.43 N ATOM 1191 CA ASN B 71 -1.892 12.267 -6.150 1.00 54.20 C ATOM 1192 C ASN B 71 -0.415 12.496 -5.915 1.00 74.31 C ATOM 1193 O ASN B 71 -0.031 13.501 -5.328 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.630 12.622 -4.843 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.134 12.497 -4.893 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.772 12.715 -5.928 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.717 12.134 -3.775 1.00 62.53 N ATOM 0 H ASN B 71 -1.857 10.201 -5.793 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.271 12.889 -6.961 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.255 11.978 -4.048 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.377 13.646 -4.569 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.730 12.023 -3.741 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.157 11.963 -2.940 1.00 62.53 H new ATOM 1204 N LEU B 72 0.404 11.561 -6.406 1.00 31.42 N ATOM 1205 CA LEU B 72 1.873 11.546 -6.228 1.00 41.12 C ATOM 1206 C LEU B 72 2.475 12.926 -6.478 1.00 32.41 C ATOM 1207 O LEU B 72 3.240 13.433 -5.648 1.00 15.34 O ATOM 1208 CB LEU B 72 2.488 10.495 -7.197 1.00 22.14 C ATOM 1209 CG LEU B 72 3.938 10.005 -6.970 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.986 11.075 -7.232 1.00 11.20 C ATOM 1211 CD2 LEU B 72 4.081 9.445 -5.575 1.00 33.32 C ATOM 0 H LEU B 72 0.063 10.771 -6.953 1.00 31.42 H new ATOM 0 HA LEU B 72 2.104 11.275 -5.198 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.841 9.618 -7.181 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.437 10.910 -8.204 1.00 22.14 H new ATOM 0 HG LEU B 72 4.123 9.219 -7.702 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.979 10.663 -7.054 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.913 11.410 -8.267 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.818 11.920 -6.564 1.00 11.20 H new ATOM 0 HD21 LEU B 72 5.105 9.102 -5.424 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.846 10.220 -4.846 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.395 8.607 -5.447 1.00 33.32 H new ATOM 1223 N LYS B 73 2.106 13.539 -7.596 1.00 14.34 N ATOM 1224 CA LYS B 73 2.638 14.841 -7.955 1.00 42.10 C ATOM 1225 C LYS B 73 2.337 15.904 -6.903 1.00 53.11 C ATOM 1226 O LYS B 73 3.206 16.697 -6.582 1.00 74.22 O ATOM 1227 CB LYS B 73 2.227 15.284 -9.368 1.00 5.41 C ATOM 1228 CG LYS B 73 0.744 15.518 -9.593 1.00 35.52 C ATOM 1229 CD LYS B 73 0.497 15.824 -11.054 1.00 25.45 C ATOM 1230 CE LYS B 73 -0.963 16.114 -11.357 1.00 12.21 C ATOM 1231 NZ LYS B 73 -1.431 17.386 -10.774 1.00 61.12 N ATOM 0 H LYS B 73 1.441 13.153 -8.267 1.00 14.34 H new ATOM 0 HA LYS B 73 3.722 14.726 -7.978 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.759 16.205 -9.606 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.566 14.528 -10.076 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.177 14.637 -9.294 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.398 16.345 -8.974 1.00 35.52 H new ATOM 0 HD2 LYS B 73 1.102 16.682 -11.348 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.828 14.979 -11.658 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -1.106 16.142 -12.437 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -1.577 15.298 -10.975 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -2.423 17.547 -11.042 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -1.355 17.342 -9.738 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -0.845 18.168 -11.131 1.00 61.12 H new ATOM 1245 N LEU B 74 1.128 15.874 -6.332 1.00 3.54 N ATOM 1246 CA LEU B 74 0.732 16.832 -5.294 1.00 24.22 C ATOM 1247 C LEU B 74 1.642 16.685 -4.101 1.00 33.32 C ATOM 1248 O LEU B 74 2.069 17.666 -3.532 1.00 35.35 O ATOM 1249 CB LEU B 74 -0.764 16.642 -4.884 1.00 15.15 C ATOM 1250 CG LEU B 74 -1.395 17.647 -3.851 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -0.914 17.426 -2.392 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -1.124 19.082 -4.287 1.00 34.11 C ATOM 0 H LEU B 74 0.405 15.195 -6.572 1.00 3.54 H new ATOM 0 HA LEU B 74 0.829 17.841 -5.694 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.364 16.682 -5.793 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -0.870 15.637 -4.475 1.00 15.15 H new ATOM 0 HG LEU B 74 -2.468 17.453 -3.848 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -1.391 18.155 -1.737 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.181 16.420 -2.069 1.00 50.24 H new ATOM 0 HD13 LEU B 74 0.168 17.548 -2.343 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -1.564 19.771 -3.566 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -0.048 19.250 -4.338 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -1.565 19.253 -5.269 1.00 34.11 H new ATOM 1264 N ILE B 75 1.961 15.461 -3.756 1.00 72.34 N ATOM 1265 CA ILE B 75 2.818 15.173 -2.618 1.00 55.53 C ATOM 1266 C ILE B 75 4.227 15.741 -2.841 1.00 3.21 C ATOM 1267 O ILE B 75 4.845 16.293 -1.913 1.00 40.20 O ATOM 1268 CB ILE B 75 2.831 13.637 -2.255 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.563 13.233 -1.466 1.00 5.53 C ATOM 1270 CG2 ILE B 75 4.074 13.231 -1.470 1.00 15.31 C ATOM 1271 CD1 ILE B 75 0.240 13.421 -2.175 1.00 1.24 C ATOM 0 H ILE B 75 1.636 14.632 -4.253 1.00 72.34 H new ATOM 0 HA ILE B 75 2.399 15.678 -1.748 1.00 55.53 H new ATOM 0 HB ILE B 75 2.846 13.104 -3.206 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.655 12.183 -1.187 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.539 13.808 -0.540 1.00 5.53 H new ATOM 0 HG21 ILE B 75 4.031 12.165 -1.247 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.964 13.442 -2.063 1.00 15.31 H new ATOM 0 HG23 ILE B 75 4.116 13.795 -0.538 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -0.572 13.103 -1.521 1.00 1.24 H new ATOM 0 HD12 ILE B 75 0.110 14.473 -2.430 1.00 1.24 H new ATOM 0 HD13 ILE B 75 0.227 12.823 -3.086 1.00 1.24 H new ATOM 1283 N ARG B 76 4.705 15.652 -4.079 1.00 23.44 N ATOM 1284 CA ARG B 76 6.005 16.212 -4.438 1.00 2.23 C ATOM 1285 C ARG B 76 5.955 17.718 -4.265 1.00 61.23 C ATOM 1286 O ARG B 76 6.916 18.317 -3.812 1.00 0.10 O ATOM 1287 CB ARG B 76 6.348 15.991 -5.900 1.00 24.15 C ATOM 1288 CG ARG B 76 6.110 14.620 -6.477 1.00 71.12 C ATOM 1289 CD ARG B 76 6.419 14.665 -7.963 1.00 32.20 C ATOM 1290 NE ARG B 76 5.884 15.911 -8.563 1.00 64.13 N ATOM 1291 CZ ARG B 76 5.968 16.269 -9.840 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.240 15.382 -10.780 1.00 64.25 N ATOM 1293 NH2 ARG B 76 5.701 17.515 -10.162 1.00 51.23 N ATOM 0 H ARG B 76 4.213 15.199 -4.849 1.00 23.44 H new ATOM 0 HA ARG B 76 6.741 15.722 -3.801 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.776 16.707 -6.490 1.00 24.15 H new ATOM 0 HB3 ARG B 76 7.402 16.234 -6.037 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.743 13.884 -5.980 1.00 71.12 H new ATOM 0 HG3 ARG B 76 5.077 14.314 -6.314 1.00 71.12 H new ATOM 0 HD2 ARG B 76 7.496 14.612 -8.119 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.982 13.798 -8.459 1.00 32.20 H new ATOM 0 HE ARG B 76 5.405 16.556 -7.935 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.389 14.404 -10.531 1.00 64.25 H new ATOM 0 HH12 ARG B 76 6.301 15.675 -11.755 1.00 64.25 H new ATOM 0 HH21 ARG B 76 5.436 18.183 -9.438 1.00 51.23 H new ATOM 0 HH22 ARG B 76 5.759 17.814 -11.136 1.00 51.23 H new ATOM 1307 N GLU B 77 4.840 18.327 -4.708 1.00 3.43 N ATOM 1308 CA GLU B 77 4.625 19.773 -4.638 1.00 32.25 C ATOM 1309 C GLU B 77 4.412 20.237 -3.200 1.00 23.22 C ATOM 1310 O GLU B 77 4.681 21.395 -2.859 1.00 24.24 O ATOM 1311 CB GLU B 77 3.443 20.215 -5.518 1.00 73.21 C ATOM 1312 CG GLU B 77 3.486 19.698 -6.955 1.00 31.54 C ATOM 1313 CD GLU B 77 4.835 19.859 -7.612 1.00 75.21 C ATOM 1314 OE1 GLU B 77 5.250 20.997 -7.894 1.00 73.43 O ATOM 1315 OE2 GLU B 77 5.524 18.844 -7.840 1.00 52.20 O ATOM 0 H GLU B 77 4.060 17.820 -5.127 1.00 3.43 H new ATOM 0 HA GLU B 77 5.530 20.245 -5.021 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.516 19.878 -5.053 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.412 21.304 -5.539 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.211 18.643 -6.962 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.738 20.226 -7.546 1.00 31.54 H new ATOM 1322 N LYS B 78 3.776 19.383 -2.412 1.00 12.34 N ATOM 1323 CA LYS B 78 3.592 19.586 -0.982 1.00 0.30 C ATOM 1324 C LYS B 78 4.963 19.721 -0.280 1.00 41.03 C ATOM 1325 O LYS B 78 5.129 20.529 0.636 1.00 70.21 O ATOM 1326 CB LYS B 78 2.709 18.440 -0.443 1.00 31.15 C ATOM 1327 CG LYS B 78 2.268 18.541 1.004 1.00 63.14 C ATOM 1328 CD LYS B 78 3.195 17.822 1.954 1.00 63.03 C ATOM 1329 CE LYS B 78 3.241 16.324 1.671 1.00 13.30 C ATOM 1330 NZ LYS B 78 3.987 15.587 2.706 1.00 22.43 N ATOM 0 H LYS B 78 3.366 18.514 -2.754 1.00 12.34 H new ATOM 0 HA LYS B 78 3.073 20.521 -0.771 1.00 0.30 H new ATOM 0 HB2 LYS B 78 1.817 18.376 -1.066 1.00 31.15 H new ATOM 0 HB3 LYS B 78 3.253 17.504 -0.568 1.00 31.15 H new ATOM 0 HG2 LYS B 78 2.209 19.592 1.288 1.00 63.14 H new ATOM 0 HG3 LYS B 78 1.264 18.128 1.102 1.00 63.14 H new ATOM 0 HD2 LYS B 78 4.198 18.239 1.869 1.00 63.03 H new ATOM 0 HD3 LYS B 78 2.866 17.989 2.980 1.00 63.03 H new ATOM 0 HE2 LYS B 78 2.224 15.935 1.612 1.00 13.30 H new ATOM 0 HE3 LYS B 78 3.705 16.153 0.700 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 3.907 14.565 2.530 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 4.988 15.866 2.677 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 3.592 15.809 3.642 1.00 22.43 H new ATOM 1344 N LYS B 79 5.918 18.941 -0.738 1.00 11.23 N ATOM 1345 CA LYS B 79 7.344 19.093 -0.391 1.00 71.54 C ATOM 1346 C LYS B 79 7.905 19.979 -1.498 1.00 62.41 C ATOM 1347 O LYS B 79 7.139 20.620 -2.176 1.00 22.21 O ATOM 1348 CB LYS B 79 8.018 17.711 -0.473 1.00 24.24 C ATOM 1349 CG LYS B 79 7.642 16.744 0.639 1.00 24.13 C ATOM 1350 CD LYS B 79 8.389 17.066 1.924 1.00 4.22 C ATOM 1351 CE LYS B 79 9.886 16.827 1.754 1.00 44.25 C ATOM 1352 NZ LYS B 79 10.659 17.180 2.956 1.00 54.41 N ATOM 0 H LYS B 79 5.738 18.165 -1.375 1.00 11.23 H new ATOM 0 HA LYS B 79 7.502 19.505 0.606 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.764 17.256 -1.430 1.00 24.24 H new ATOM 0 HB3 LYS B 79 9.099 17.850 -0.463 1.00 24.24 H new ATOM 0 HG2 LYS B 79 6.568 16.792 0.818 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.869 15.724 0.329 1.00 24.13 H new ATOM 0 HD2 LYS B 79 8.211 18.105 2.203 1.00 4.22 H new ATOM 0 HD3 LYS B 79 8.007 16.448 2.737 1.00 4.22 H new ATOM 0 HE2 LYS B 79 10.057 15.778 1.513 1.00 44.25 H new ATOM 0 HE3 LYS B 79 10.249 17.412 0.909 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 11.669 16.998 2.785 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 10.521 18.187 3.174 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 10.334 16.604 3.759 1.00 54.41 H new ATOM 1366 N LYS B 80 9.174 20.106 -1.698 1.00 71.43 N ATOM 1367 CA LYS B 80 9.582 20.658 -2.959 1.00 32.42 C ATOM 1368 C LYS B 80 10.656 19.798 -3.546 1.00 13.24 C ATOM 1369 O LYS B 80 11.836 20.170 -3.667 1.00 5.54 O ATOM 1370 CB LYS B 80 9.906 22.169 -2.944 1.00 73.24 C ATOM 1371 CG LYS B 80 10.954 22.636 -1.958 1.00 40.21 C ATOM 1372 CD LYS B 80 11.123 24.133 -2.091 1.00 43.22 C ATOM 1373 CE LYS B 80 12.181 24.687 -1.167 1.00 70.42 C ATOM 1374 NZ LYS B 80 12.333 26.146 -1.349 1.00 23.43 N ATOM 0 H LYS B 80 9.917 19.852 -1.047 1.00 71.43 H new ATOM 0 HA LYS B 80 8.719 20.633 -3.624 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.230 22.456 -3.944 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.983 22.712 -2.740 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.655 22.380 -0.942 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.901 22.132 -2.149 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.384 24.374 -3.121 1.00 43.22 H new ATOM 0 HD3 LYS B 80 10.172 24.622 -1.881 1.00 43.22 H new ATOM 0 HE2 LYS B 80 11.914 24.472 -0.132 1.00 70.42 H new ATOM 0 HE3 LYS B 80 13.133 24.192 -1.360 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 13.066 26.502 -0.703 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 12.611 26.346 -2.331 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 11.430 26.618 -1.142 1.00 23.43 H new ATOM 1388 N ILE B 81 10.244 18.601 -3.843 1.00 13.13 N ATOM 1389 CA ILE B 81 11.110 17.589 -4.348 1.00 43.54 C ATOM 1390 C ILE B 81 10.763 17.400 -5.798 1.00 51.30 C ATOM 1391 O ILE B 81 9.581 17.279 -6.150 1.00 65.41 O ATOM 1392 CB ILE B 81 10.916 16.237 -3.579 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.079 16.424 -2.053 1.00 24.32 C ATOM 1394 CG2 ILE B 81 11.889 15.176 -4.077 1.00 62.43 C ATOM 1395 CD1 ILE B 81 12.443 16.933 -1.611 1.00 1.24 C ATOM 0 H ILE B 81 9.275 18.299 -3.737 1.00 13.13 H new ATOM 0 HA ILE B 81 12.150 17.889 -4.219 1.00 43.54 H new ATOM 0 HB ILE B 81 9.898 15.901 -3.778 1.00 70.43 H new ATOM 0 HG12 ILE B 81 10.317 17.121 -1.704 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.887 15.470 -1.562 1.00 24.32 H new ATOM 0 HG21 ILE B 81 11.731 14.249 -3.525 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.722 14.999 -5.139 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.912 15.520 -3.923 1.00 62.43 H new ATOM 0 HD11 ILE B 81 12.460 17.032 -0.526 1.00 1.24 H new ATOM 0 HD12 ILE B 81 13.213 16.228 -1.923 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.634 17.904 -2.067 1.00 1.24 H new ATOM 1407 N SER B 82 11.747 17.419 -6.628 1.00 2.42 N ATOM 1408 CA SER B 82 11.546 17.270 -8.033 1.00 41.31 C ATOM 1409 C SER B 82 11.383 15.789 -8.356 1.00 13.21 C ATOM 1410 O SER B 82 11.923 14.943 -7.648 1.00 35.13 O ATOM 1411 CB SER B 82 12.719 17.891 -8.783 1.00 43.33 C ATOM 1412 OG SER B 82 12.888 19.259 -8.398 1.00 71.34 O ATOM 0 H SER B 82 12.722 17.539 -6.352 1.00 2.42 H new ATOM 0 HA SER B 82 10.641 17.788 -8.349 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.631 17.332 -8.573 1.00 43.33 H new ATOM 0 HB3 SER B 82 12.547 17.827 -9.857 1.00 43.33 H new ATOM 0 HG SER B 82 13.645 19.645 -8.886 1.00 71.34 H new ATOM 1418 N GLN B 83 10.666 15.491 -9.418 1.00 45.12 N ATOM 1419 CA GLN B 83 10.327 14.113 -9.783 1.00 65.34 C ATOM 1420 C GLN B 83 11.554 13.200 -9.970 1.00 13.44 C ATOM 1421 O GLN B 83 11.546 12.046 -9.537 1.00 12.11 O ATOM 1422 CB GLN B 83 9.380 14.081 -10.986 1.00 30.22 C ATOM 1423 CG GLN B 83 9.848 14.876 -12.191 1.00 4.43 C ATOM 1424 CD GLN B 83 8.814 14.892 -13.292 1.00 53.31 C ATOM 1425 OE1 GLN B 83 7.942 15.780 -13.348 1.00 72.33 O ATOM 1426 NE2 GLN B 83 8.884 13.937 -14.169 1.00 45.23 N ATOM 0 H GLN B 83 10.296 16.192 -10.060 1.00 45.12 H new ATOM 0 HA GLN B 83 9.797 13.689 -8.930 1.00 65.34 H new ATOM 0 HB2 GLN B 83 9.235 13.044 -11.288 1.00 30.22 H new ATOM 0 HB3 GLN B 83 8.407 14.461 -10.674 1.00 30.22 H new ATOM 0 HG2 GLN B 83 10.070 15.899 -11.887 1.00 4.43 H new ATOM 0 HG3 GLN B 83 10.776 14.448 -12.570 1.00 4.43 H new ATOM 0 HE21 GLN B 83 9.612 13.226 -14.092 1.00 45.23 H new ATOM 0 HE22 GLN B 83 8.211 13.898 -14.935 1.00 45.23 H new ATOM 1435 N SER B 84 12.613 13.726 -10.556 1.00 55.44 N ATOM 1436 CA SER B 84 13.832 12.960 -10.749 1.00 52.11 C ATOM 1437 C SER B 84 14.521 12.665 -9.404 1.00 62.21 C ATOM 1438 O SER B 84 15.226 11.667 -9.261 1.00 10.02 O ATOM 1439 CB SER B 84 14.763 13.690 -11.701 1.00 45.03 C ATOM 1440 OG SER B 84 14.072 14.008 -12.910 1.00 21.34 O ATOM 0 H SER B 84 12.655 14.683 -10.908 1.00 55.44 H new ATOM 0 HA SER B 84 13.572 12.000 -11.195 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.133 14.602 -11.233 1.00 45.03 H new ATOM 0 HB3 SER B 84 15.632 13.069 -11.921 1.00 45.03 H new ATOM 0 HG SER B 84 14.329 14.906 -13.207 1.00 21.34 H new ATOM 1446 N GLU B 85 14.318 13.538 -8.424 1.00 50.43 N ATOM 1447 CA GLU B 85 14.878 13.336 -7.098 1.00 3.23 C ATOM 1448 C GLU B 85 14.260 12.127 -6.437 1.00 41.23 C ATOM 1449 O GLU B 85 14.948 11.386 -5.748 1.00 11.14 O ATOM 1450 CB GLU B 85 14.713 14.555 -6.224 1.00 33.34 C ATOM 1451 CG GLU B 85 15.305 15.800 -6.813 1.00 42.23 C ATOM 1452 CD GLU B 85 15.317 16.918 -5.835 1.00 44.10 C ATOM 1453 OE1 GLU B 85 16.293 17.029 -5.078 1.00 64.25 O ATOM 1454 OE2 GLU B 85 14.360 17.718 -5.805 1.00 70.32 O ATOM 0 H GLU B 85 13.769 14.392 -8.525 1.00 50.43 H new ATOM 0 HA GLU B 85 15.947 13.163 -7.222 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.651 14.719 -6.040 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.178 14.364 -5.257 1.00 33.34 H new ATOM 0 HG2 GLU B 85 16.323 15.597 -7.146 1.00 42.23 H new ATOM 0 HG3 GLU B 85 14.734 16.093 -7.694 1.00 42.23 H new ATOM 1461 N LEU B 86 12.952 11.920 -6.661 1.00 73.22 N ATOM 1462 CA LEU B 86 12.284 10.730 -6.129 1.00 10.22 C ATOM 1463 C LEU B 86 12.937 9.473 -6.680 1.00 65.33 C ATOM 1464 O LEU B 86 13.083 8.497 -5.973 1.00 30.50 O ATOM 1465 CB LEU B 86 10.759 10.679 -6.392 1.00 32.54 C ATOM 1466 CG LEU B 86 9.845 11.649 -5.624 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.944 13.060 -6.148 1.00 52.52 C ATOM 1468 CD2 LEU B 86 8.408 11.166 -5.666 1.00 23.21 C ATOM 0 H LEU B 86 12.351 12.548 -7.195 1.00 73.22 H new ATOM 0 HA LEU B 86 12.404 10.787 -5.047 1.00 10.22 H new ATOM 0 HB2 LEU B 86 10.601 10.849 -7.457 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.420 9.665 -6.178 1.00 32.54 H new ATOM 0 HG LEU B 86 10.186 11.665 -4.589 1.00 41.02 H new ATOM 0 HD11 LEU B 86 9.281 13.708 -5.575 1.00 52.52 H new ATOM 0 HD12 LEU B 86 10.971 13.413 -6.050 1.00 52.52 H new ATOM 0 HD13 LEU B 86 9.652 13.080 -7.198 1.00 52.52 H new ATOM 0 HD21 LEU B 86 7.774 11.863 -5.118 1.00 23.21 H new ATOM 0 HD22 LEU B 86 8.074 11.108 -6.702 1.00 23.21 H new ATOM 0 HD23 LEU B 86 8.342 10.179 -5.208 1.00 23.21 H new ATOM 1480 N ALA B 87 13.378 9.535 -7.935 1.00 4.44 N ATOM 1481 CA ALA B 87 14.062 8.418 -8.563 1.00 14.42 C ATOM 1482 C ALA B 87 15.329 8.082 -7.792 1.00 35.03 C ATOM 1483 O ALA B 87 15.570 6.928 -7.471 1.00 72.55 O ATOM 1484 CB ALA B 87 14.383 8.718 -10.017 1.00 1.41 C ATOM 0 H ALA B 87 13.271 10.353 -8.535 1.00 4.44 H new ATOM 0 HA ALA B 87 13.397 7.554 -8.542 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.895 7.864 -10.460 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.459 8.910 -10.562 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.027 9.596 -10.074 1.00 1.41 H new ATOM 1490 N ALA B 88 16.116 9.097 -7.476 1.00 4.14 N ATOM 1491 CA ALA B 88 17.332 8.916 -6.694 1.00 53.23 C ATOM 1492 C ALA B 88 17.019 8.442 -5.268 1.00 34.22 C ATOM 1493 O ALA B 88 17.693 7.554 -4.744 1.00 30.41 O ATOM 1494 CB ALA B 88 18.138 10.205 -6.669 1.00 24.13 C ATOM 0 H ALA B 88 15.934 10.062 -7.750 1.00 4.14 H new ATOM 0 HA ALA B 88 17.928 8.139 -7.173 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.044 10.056 -6.081 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.408 10.485 -7.687 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.541 10.999 -6.220 1.00 24.13 H new ATOM 1500 N LEU B 89 15.980 9.013 -4.662 1.00 71.12 N ATOM 1501 CA LEU B 89 15.552 8.640 -3.301 1.00 42.20 C ATOM 1502 C LEU B 89 15.153 7.173 -3.219 1.00 63.22 C ATOM 1503 O LEU B 89 15.418 6.501 -2.220 1.00 30.24 O ATOM 1504 CB LEU B 89 14.365 9.507 -2.836 1.00 60.54 C ATOM 1505 CG LEU B 89 14.651 10.984 -2.560 1.00 63.34 C ATOM 1506 CD1 LEU B 89 13.356 11.729 -2.275 1.00 60.14 C ATOM 1507 CD2 LEU B 89 15.598 11.127 -1.379 1.00 50.33 C ATOM 0 H LEU B 89 15.410 9.743 -5.090 1.00 71.12 H new ATOM 0 HA LEU B 89 16.407 8.811 -2.647 1.00 42.20 H new ATOM 0 HB2 LEU B 89 13.585 9.449 -3.595 1.00 60.54 H new ATOM 0 HB3 LEU B 89 13.958 9.065 -1.927 1.00 60.54 H new ATOM 0 HG LEU B 89 15.120 11.415 -3.445 1.00 63.34 H new ATOM 0 HD11 LEU B 89 13.575 12.779 -2.080 1.00 60.14 H new ATOM 0 HD12 LEU B 89 12.694 11.650 -3.137 1.00 60.14 H new ATOM 0 HD13 LEU B 89 12.869 11.292 -1.403 1.00 60.14 H new ATOM 0 HD21 LEU B 89 15.792 12.184 -1.194 1.00 50.33 H new ATOM 0 HD22 LEU B 89 15.145 10.681 -0.493 1.00 50.33 H new ATOM 0 HD23 LEU B 89 16.536 10.619 -1.601 1.00 50.33 H new ATOM 1519 N LEU B 90 14.534 6.675 -4.268 1.00 61.11 N ATOM 1520 CA LEU B 90 14.073 5.297 -4.284 1.00 33.50 C ATOM 1521 C LEU B 90 15.120 4.391 -4.924 1.00 13.04 C ATOM 1522 O LEU B 90 14.930 3.167 -4.994 1.00 54.12 O ATOM 1523 CB LEU B 90 12.773 5.157 -5.085 1.00 1.13 C ATOM 1524 CG LEU B 90 11.658 6.175 -4.838 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.407 5.770 -5.583 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.388 6.405 -3.355 1.00 43.42 C ATOM 0 H LEU B 90 14.337 7.200 -5.120 1.00 61.11 H new ATOM 0 HA LEU B 90 13.900 5.004 -3.248 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.029 5.194 -6.144 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.367 4.165 -4.890 1.00 1.13 H new ATOM 0 HG LEU B 90 11.997 7.135 -5.228 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.621 6.502 -5.399 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.618 5.725 -6.651 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.078 4.790 -5.236 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.588 7.136 -3.240 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.091 5.465 -2.889 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.292 6.778 -2.874 1.00 43.42 H new ATOM 1538 N GLU B 91 16.233 4.991 -5.348 1.00 45.33 N ATOM 1539 CA GLU B 91 17.306 4.311 -6.081 1.00 22.43 C ATOM 1540 C GLU B 91 16.775 3.594 -7.338 1.00 63.31 C ATOM 1541 O GLU B 91 17.224 2.494 -7.695 1.00 72.53 O ATOM 1542 CB GLU B 91 18.082 3.359 -5.165 1.00 34.10 C ATOM 1543 CG GLU B 91 18.692 4.053 -3.959 1.00 74.02 C ATOM 1544 CD GLU B 91 19.653 3.176 -3.220 1.00 63.23 C ATOM 1545 OE1 GLU B 91 19.217 2.339 -2.397 1.00 73.13 O ATOM 1546 OE2 GLU B 91 20.871 3.301 -3.458 1.00 54.24 O ATOM 0 H GLU B 91 16.419 5.981 -5.190 1.00 45.33 H new ATOM 0 HA GLU B 91 18.004 5.074 -6.427 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.413 2.570 -4.822 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.874 2.878 -5.739 1.00 34.10 H new ATOM 0 HG2 GLU B 91 19.207 4.957 -4.285 1.00 74.02 H new ATOM 0 HG3 GLU B 91 17.896 4.366 -3.283 1.00 74.02 H new ATOM 1553 N VAL B 92 15.895 4.267 -8.044 1.00 33.53 N ATOM 1554 CA VAL B 92 15.264 3.730 -9.235 1.00 2.41 C ATOM 1555 C VAL B 92 15.573 4.637 -10.417 1.00 32.32 C ATOM 1556 O VAL B 92 16.273 5.643 -10.265 1.00 23.34 O ATOM 1557 CB VAL B 92 13.710 3.588 -9.081 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.353 2.600 -7.989 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.041 4.936 -8.820 1.00 4.10 C ATOM 0 H VAL B 92 15.592 5.212 -7.808 1.00 33.53 H new ATOM 0 HA VAL B 92 15.667 2.730 -9.397 1.00 2.41 H new ATOM 0 HB VAL B 92 13.331 3.205 -10.028 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.269 2.524 -7.907 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.768 1.622 -8.233 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.765 2.942 -7.040 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.965 4.795 -8.719 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.438 5.367 -7.901 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.242 5.609 -9.653 1.00 4.10 H new ATOM 1569 N SER B 93 15.081 4.287 -11.569 1.00 35.42 N ATOM 1570 CA SER B 93 15.264 5.093 -12.743 1.00 0.14 C ATOM 1571 C SER B 93 14.142 6.145 -12.833 1.00 54.44 C ATOM 1572 O SER B 93 13.033 5.927 -12.310 1.00 24.14 O ATOM 1573 CB SER B 93 15.238 4.184 -13.963 1.00 23.34 C ATOM 1574 OG SER B 93 16.191 3.137 -13.827 1.00 1.11 O ATOM 0 H SER B 93 14.541 3.435 -11.723 1.00 35.42 H new ATOM 0 HA SER B 93 16.220 5.614 -12.696 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.241 3.762 -14.087 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.453 4.764 -14.860 1.00 23.34 H new ATOM 0 HG SER B 93 16.160 2.561 -14.619 1.00 1.11 H new ATOM 1580 N ARG B 94 14.430 7.273 -13.483 1.00 33.45 N ATOM 1581 CA ARG B 94 13.454 8.365 -13.680 1.00 2.32 C ATOM 1582 C ARG B 94 12.197 7.858 -14.388 1.00 72.10 C ATOM 1583 O ARG B 94 11.087 8.281 -14.074 1.00 61.25 O ATOM 1584 CB ARG B 94 14.090 9.520 -14.472 1.00 73.14 C ATOM 1585 CG ARG B 94 15.289 10.127 -13.768 1.00 54.32 C ATOM 1586 CD ARG B 94 16.057 11.102 -14.646 1.00 53.33 C ATOM 1587 NE ARG B 94 15.360 12.377 -14.898 1.00 21.14 N ATOM 1588 CZ ARG B 94 15.753 13.263 -15.819 1.00 13.43 C ATOM 1589 NH1 ARG B 94 16.730 12.949 -16.666 1.00 20.31 N ATOM 1590 NH2 ARG B 94 15.166 14.457 -15.900 1.00 44.34 N ATOM 0 H ARG B 94 15.345 7.463 -13.891 1.00 33.45 H new ATOM 0 HA ARG B 94 13.161 8.737 -12.698 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.396 9.156 -15.453 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.342 10.295 -14.639 1.00 73.14 H new ATOM 0 HG2 ARG B 94 14.954 10.642 -12.868 1.00 54.32 H new ATOM 0 HG3 ARG B 94 15.959 9.329 -13.447 1.00 54.32 H new ATOM 0 HD2 ARG B 94 17.018 11.314 -14.177 1.00 53.33 H new ATOM 0 HD3 ARG B 94 16.268 10.622 -15.602 1.00 53.33 H new ATOM 0 HE ARG B 94 14.534 12.594 -14.340 1.00 21.14 H new ATOM 0 HH11 ARG B 94 17.177 12.034 -16.612 1.00 20.31 H new ATOM 0 HH12 ARG B 94 17.031 13.623 -17.369 1.00 20.31 H new ATOM 0 HH21 ARG B 94 14.412 14.699 -15.257 1.00 44.34 H new ATOM 0 HH22 ARG B 94 15.471 15.128 -16.605 1.00 44.34 H new ATOM 1604 N GLN B 95 12.384 6.919 -15.306 1.00 63.51 N ATOM 1605 CA GLN B 95 11.291 6.298 -16.043 1.00 73.10 C ATOM 1606 C GLN B 95 10.305 5.607 -15.092 1.00 21.43 C ATOM 1607 O GLN B 95 9.085 5.710 -15.272 1.00 63.01 O ATOM 1608 CB GLN B 95 11.858 5.271 -17.021 1.00 14.11 C ATOM 1609 CG GLN B 95 10.817 4.541 -17.846 1.00 34.33 C ATOM 1610 CD GLN B 95 11.428 3.500 -18.749 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.557 3.635 -19.185 1.00 35.21 O ATOM 1612 NE2 GLN B 95 10.707 2.456 -19.021 1.00 24.53 N ATOM 0 H GLN B 95 13.305 6.564 -15.562 1.00 63.51 H new ATOM 0 HA GLN B 95 10.756 7.077 -16.586 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.549 5.775 -17.696 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.438 4.537 -16.461 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.098 4.064 -17.180 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.264 5.261 -18.448 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.765 2.374 -18.640 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.083 1.718 -19.616 1.00 24.53 H new ATOM 1621 N THR B 96 10.841 4.954 -14.069 1.00 21.22 N ATOM 1622 CA THR B 96 10.050 4.196 -13.129 1.00 0.23 C ATOM 1623 C THR B 96 9.142 5.118 -12.304 1.00 24.14 C ATOM 1624 O THR B 96 7.931 4.910 -12.250 1.00 5.35 O ATOM 1625 CB THR B 96 10.987 3.425 -12.178 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.962 2.709 -12.954 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.211 2.438 -11.312 1.00 50.43 C ATOM 0 H THR B 96 11.842 4.940 -13.874 1.00 21.22 H new ATOM 0 HA THR B 96 9.423 3.501 -13.688 1.00 0.23 H new ATOM 0 HB THR B 96 11.476 4.145 -11.521 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.562 2.218 -12.354 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.901 1.911 -10.653 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.478 2.978 -10.713 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.698 1.719 -11.951 1.00 50.43 H new ATOM 1635 N ILE B 97 9.727 6.150 -11.701 1.00 3.24 N ATOM 1636 CA ILE B 97 8.964 7.071 -10.858 1.00 15.23 C ATOM 1637 C ILE B 97 7.922 7.844 -11.687 1.00 54.43 C ATOM 1638 O ILE B 97 6.765 7.966 -11.280 1.00 12.25 O ATOM 1639 CB ILE B 97 9.923 8.008 -10.004 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.177 8.878 -8.941 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.816 8.873 -10.885 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.421 10.097 -9.458 1.00 15.23 C ATOM 0 H ILE B 97 10.720 6.370 -11.778 1.00 3.24 H new ATOM 0 HA ILE B 97 8.399 6.488 -10.130 1.00 15.23 H new ATOM 0 HB ILE B 97 10.558 7.321 -9.445 1.00 61.33 H new ATOM 0 HG12 ILE B 97 8.469 8.238 -8.414 1.00 13.20 H new ATOM 0 HG13 ILE B 97 9.908 9.218 -8.207 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.453 9.496 -10.257 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.438 8.234 -11.512 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.197 9.509 -11.517 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.949 10.614 -8.622 1.00 15.23 H new ATOM 0 HD12 ILE B 97 9.117 10.773 -9.956 1.00 15.23 H new ATOM 0 HD13 ILE B 97 7.656 9.778 -10.166 1.00 15.23 H new ATOM 1654 N ASN B 98 8.320 8.289 -12.869 1.00 30.33 N ATOM 1655 CA ASN B 98 7.423 9.022 -13.765 1.00 60.42 C ATOM 1656 C ASN B 98 6.271 8.105 -14.197 1.00 3.24 C ATOM 1657 O ASN B 98 5.110 8.527 -14.273 1.00 13.11 O ATOM 1658 CB ASN B 98 8.222 9.563 -14.970 1.00 64.50 C ATOM 1659 CG ASN B 98 7.456 10.511 -15.901 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.249 10.377 -16.146 1.00 33.15 O ATOM 1661 ND2 ASN B 98 8.149 11.502 -16.391 1.00 74.02 N ATOM 0 H ASN B 98 9.262 8.157 -13.236 1.00 30.33 H new ATOM 0 HA ASN B 98 6.989 9.878 -13.249 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.103 10.084 -14.595 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.579 8.716 -15.556 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.698 12.191 -16.993 1.00 74.02 H new ATOM 0 HD22 ASN B 98 9.142 11.587 -16.172 1.00 74.02 H new ATOM 1668 N GLY B 99 6.594 6.833 -14.424 1.00 32.15 N ATOM 1669 CA GLY B 99 5.592 5.845 -14.766 1.00 62.40 C ATOM 1670 C GLY B 99 4.588 5.644 -13.637 1.00 51.22 C ATOM 1671 O GLY B 99 3.405 5.329 -13.887 1.00 73.51 O ATOM 0 H GLY B 99 7.546 6.469 -14.375 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.067 6.157 -15.669 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.079 4.897 -14.993 1.00 62.40 H new ATOM 1675 N ILE B 100 5.059 5.783 -12.399 1.00 55.13 N ATOM 1676 CA ILE B 100 4.208 5.716 -11.222 1.00 14.23 C ATOM 1677 C ILE B 100 3.299 6.942 -11.152 1.00 12.31 C ATOM 1678 O ILE B 100 2.111 6.811 -10.879 1.00 62.21 O ATOM 1679 CB ILE B 100 5.045 5.594 -9.899 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.885 4.305 -9.893 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.158 5.665 -8.649 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.075 3.029 -10.001 1.00 51.13 C ATOM 0 H ILE B 100 6.044 5.945 -12.188 1.00 55.13 H new ATOM 0 HA ILE B 100 3.598 4.817 -11.314 1.00 14.23 H new ATOM 0 HB ILE B 100 5.721 6.448 -9.870 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.592 4.343 -10.721 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.471 4.272 -8.975 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.778 5.576 -7.757 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.630 6.619 -8.631 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.434 4.850 -8.670 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.746 2.170 -9.989 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.386 2.963 -9.159 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.509 3.035 -10.933 1.00 51.13 H new ATOM 1694 N GLU B 101 3.860 8.132 -11.424 1.00 42.35 N ATOM 1695 CA GLU B 101 3.071 9.386 -11.402 1.00 14.13 C ATOM 1696 C GLU B 101 1.916 9.332 -12.378 1.00 62.12 C ATOM 1697 O GLU B 101 0.823 9.810 -12.084 1.00 33.44 O ATOM 1698 CB GLU B 101 3.901 10.598 -11.796 1.00 72.22 C ATOM 1699 CG GLU B 101 5.162 10.822 -11.021 1.00 22.14 C ATOM 1700 CD GLU B 101 5.768 12.160 -11.351 1.00 2.35 C ATOM 1701 OE1 GLU B 101 5.653 12.621 -12.523 1.00 14.03 O ATOM 1702 OE2 GLU B 101 6.291 12.808 -10.448 1.00 12.42 O ATOM 0 H GLU B 101 4.844 8.257 -11.660 1.00 42.35 H new ATOM 0 HA GLU B 101 2.719 9.481 -10.375 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.160 10.506 -12.851 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.277 11.486 -11.697 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.951 10.768 -9.953 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.876 10.030 -11.245 1.00 22.14 H new ATOM 1709 N LYS B 102 2.137 8.704 -13.503 1.00 72.42 N ATOM 1710 CA LYS B 102 1.128 8.635 -14.545 1.00 3.42 C ATOM 1711 C LYS B 102 0.315 7.357 -14.388 1.00 64.33 C ATOM 1712 O LYS B 102 -0.515 7.028 -15.235 1.00 74.05 O ATOM 1713 CB LYS B 102 1.816 8.693 -15.922 1.00 71.34 C ATOM 1714 CG LYS B 102 2.823 9.838 -16.027 1.00 73.40 C ATOM 1715 CD LYS B 102 2.168 11.196 -15.834 1.00 3.32 C ATOM 1716 CE LYS B 102 3.149 12.216 -15.264 1.00 11.20 C ATOM 1717 NZ LYS B 102 4.372 12.387 -16.076 1.00 30.21 N ATOM 0 H LYS B 102 3.010 8.228 -13.729 1.00 72.42 H new ATOM 0 HA LYS B 102 0.446 9.481 -14.463 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.325 7.748 -16.110 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.059 8.807 -16.698 1.00 71.34 H new ATOM 0 HG2 LYS B 102 3.604 9.703 -15.278 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.308 9.805 -17.003 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.783 11.554 -16.789 1.00 3.32 H new ATOM 0 HD3 LYS B 102 1.314 11.097 -15.163 1.00 3.32 H new ATOM 0 HE2 LYS B 102 2.646 13.179 -15.175 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.433 11.910 -14.257 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 4.909 13.207 -15.727 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.960 11.532 -16.003 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 4.110 12.543 -17.070 1.00 30.21 H new ATOM 1731 N ASN B 103 0.592 6.648 -13.270 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.032 5.366 -12.867 1.00 41.10 C ATOM 1733 C ASN B 103 -0.128 4.378 -14.028 1.00 30.41 C ATOM 1734 O ASN B 103 -1.007 3.523 -14.077 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.400 5.566 -12.131 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.554 6.053 -13.001 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.763 7.249 -13.178 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.347 5.135 -13.491 1.00 15.22 N ATOM 0 H ASN B 103 1.286 6.967 -12.595 1.00 21.34 H new ATOM 0 HA ASN B 103 0.639 4.915 -12.135 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.688 4.619 -11.675 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.254 6.280 -11.320 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.165 5.406 -14.037 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.147 4.148 -13.327 1.00 15.22 H new ATOM 1745 N LYS B 104 0.872 4.404 -14.880 1.00 23.05 N ATOM 1746 CA LYS B 104 0.871 3.588 -16.059 1.00 71.21 C ATOM 1747 C LYS B 104 1.713 2.375 -15.777 1.00 63.12 C ATOM 1748 O LYS B 104 1.497 1.293 -16.320 1.00 54.40 O ATOM 1749 CB LYS B 104 1.418 4.388 -17.247 1.00 54.41 C ATOM 1750 CG LYS B 104 1.506 3.605 -18.552 1.00 51.33 C ATOM 1751 CD LYS B 104 1.972 4.481 -19.704 1.00 14.11 C ATOM 1752 CE LYS B 104 3.321 5.135 -19.423 1.00 53.22 C ATOM 1753 NZ LYS B 104 3.756 5.963 -20.558 1.00 30.43 N ATOM 0 H LYS B 104 1.700 4.989 -14.771 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.140 3.275 -16.318 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.783 5.260 -17.404 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.411 4.758 -16.993 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.195 2.769 -18.429 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.530 3.182 -18.789 1.00 51.33 H new ATOM 0 HD2 LYS B 104 2.044 3.879 -20.610 1.00 14.11 H new ATOM 0 HD3 LYS B 104 1.228 5.255 -19.894 1.00 14.11 H new ATOM 0 HE2 LYS B 104 3.250 5.751 -18.526 1.00 53.22 H new ATOM 0 HE3 LYS B 104 4.067 4.366 -19.223 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 4.676 6.396 -20.340 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 3.846 5.369 -21.407 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 3.054 6.711 -20.731 1.00 30.43 H new ATOM 1767 N TYR B 105 2.658 2.561 -14.882 1.00 74.05 N ATOM 1768 CA TYR B 105 3.539 1.502 -14.458 1.00 12.53 C ATOM 1769 C TYR B 105 2.829 0.660 -13.402 1.00 13.41 C ATOM 1770 O TYR B 105 3.228 -0.468 -13.118 1.00 2.12 O ATOM 1771 CB TYR B 105 4.802 2.131 -13.869 1.00 73.50 C ATOM 1772 CG TYR B 105 5.935 1.177 -13.682 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.603 0.710 -14.779 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.345 0.757 -12.423 1.00 33.20 C ATOM 1775 CE1 TYR B 105 7.658 -0.156 -14.654 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.403 -0.115 -12.281 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.057 -0.568 -13.405 1.00 33.11 C ATOM 1778 OH TYR B 105 9.127 -1.432 -13.282 1.00 24.32 O ATOM 0 H TYR B 105 2.836 3.457 -14.427 1.00 74.05 H new ATOM 0 HA TYR B 105 3.808 0.863 -15.299 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.128 2.941 -14.522 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.556 2.577 -12.906 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.294 1.029 -15.763 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.829 1.118 -11.546 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.174 -0.513 -15.533 1.00 3.04 H new ATOM 0 HE2 TYR B 105 7.716 -0.439 -11.299 1.00 1.32 H new ATOM 0 HH TYR B 105 9.283 -1.626 -12.334 1.00 24.32 H new ATOM 1788 N ASN B 106 1.741 1.238 -12.877 1.00 43.42 N ATOM 1789 CA ASN B 106 0.920 0.680 -11.794 1.00 41.25 C ATOM 1790 C ASN B 106 1.726 0.630 -10.496 1.00 40.41 C ATOM 1791 O ASN B 106 2.618 -0.199 -10.339 1.00 21.44 O ATOM 1792 CB ASN B 106 0.327 -0.696 -12.138 1.00 44.44 C ATOM 1793 CG ASN B 106 -0.655 -1.176 -11.083 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -1.346 -0.374 -10.438 1.00 64.13 O ATOM 1795 ND2 ASN B 106 -0.724 -2.461 -10.884 1.00 53.45 N ATOM 0 H ASN B 106 1.396 2.139 -13.206 1.00 43.42 H new ATOM 0 HA ASN B 106 0.068 1.346 -11.658 1.00 41.25 H new ATOM 0 HB2 ASN B 106 -0.177 -0.642 -13.103 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.133 -1.423 -12.239 1.00 44.44 H new ATOM 0 HD21 ASN B 106 -1.361 -2.835 -10.180 1.00 53.45 H new ATOM 0 HD22 ASN B 106 -0.141 -3.094 -11.432 1.00 53.45 H new ATOM 1802 N PRO B 107 1.436 1.553 -9.572 1.00 2.41 N ATOM 1803 CA PRO B 107 2.183 1.713 -8.316 1.00 33.40 C ATOM 1804 C PRO B 107 2.358 0.430 -7.488 1.00 61.13 C ATOM 1805 O PRO B 107 1.391 -0.119 -6.923 1.00 2.50 O ATOM 1806 CB PRO B 107 1.366 2.744 -7.539 1.00 23.24 C ATOM 1807 CG PRO B 107 0.656 3.516 -8.593 1.00 52.51 C ATOM 1808 CD PRO B 107 0.332 2.530 -9.666 1.00 12.41 C ATOM 0 HA PRO B 107 3.210 2.010 -8.529 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.665 2.264 -6.856 1.00 23.24 H new ATOM 0 HB3 PRO B 107 2.007 3.388 -6.937 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -0.249 3.977 -8.198 1.00 52.51 H new ATOM 0 HG3 PRO B 107 1.282 4.321 -8.977 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.637 2.059 -9.501 1.00 12.41 H new ATOM 0 HD3 PRO B 107 0.294 3.002 -10.648 1.00 12.41 H new ATOM 1816 N SER B 108 3.577 -0.063 -7.471 1.00 32.11 N ATOM 1817 CA SER B 108 3.953 -1.152 -6.619 1.00 31.54 C ATOM 1818 C SER B 108 4.017 -0.616 -5.194 1.00 35.33 C ATOM 1819 O SER B 108 4.437 0.544 -4.988 1.00 31.14 O ATOM 1820 CB SER B 108 5.316 -1.668 -7.050 1.00 33.24 C ATOM 1821 OG SER B 108 5.312 -1.958 -8.438 1.00 63.24 O ATOM 0 H SER B 108 4.336 0.289 -8.055 1.00 32.11 H new ATOM 0 HA SER B 108 3.236 -1.971 -6.679 1.00 31.54 H new ATOM 0 HB2 SER B 108 6.081 -0.924 -6.828 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.569 -2.565 -6.484 1.00 33.24 H new ATOM 0 HG SER B 108 6.195 -2.288 -8.706 1.00 63.24 H new ATOM 1827 N LEU B 109 3.632 -1.427 -4.229 1.00 41.22 N ATOM 1828 CA LEU B 109 3.548 -0.984 -2.853 1.00 3.42 C ATOM 1829 C LEU B 109 4.907 -0.551 -2.317 1.00 71.35 C ATOM 1830 O LEU B 109 4.992 0.469 -1.681 1.00 31.14 O ATOM 1831 CB LEU B 109 2.845 -2.048 -1.954 1.00 34.44 C ATOM 1832 CG LEU B 109 2.552 -1.688 -0.460 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.785 -1.843 0.430 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.995 -0.265 -0.345 1.00 44.53 C ATOM 0 H LEU B 109 3.371 -2.402 -4.375 1.00 41.22 H new ATOM 0 HA LEU B 109 2.917 -0.095 -2.825 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.896 -2.305 -2.425 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.460 -2.948 -1.964 1.00 34.44 H new ATOM 0 HG LEU B 109 1.803 -2.397 -0.107 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.528 -1.581 1.456 1.00 22.03 H new ATOM 0 HD12 LEU B 109 4.132 -2.876 0.395 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.576 -1.183 0.074 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.798 -0.035 0.702 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.722 0.444 -0.742 1.00 44.53 H new ATOM 0 HD23 LEU B 109 1.068 -0.190 -0.913 1.00 44.53 H new ATOM 1846 N GLN B 110 5.960 -1.300 -2.612 1.00 2.30 N ATOM 1847 CA GLN B 110 7.308 -0.971 -2.141 1.00 25.44 C ATOM 1848 C GLN B 110 7.710 0.434 -2.590 1.00 14.52 C ATOM 1849 O GLN B 110 8.154 1.244 -1.787 1.00 12.34 O ATOM 1850 CB GLN B 110 8.313 -2.003 -2.677 1.00 43.20 C ATOM 1851 CG GLN B 110 9.742 -1.825 -2.180 1.00 23.12 C ATOM 1852 CD GLN B 110 9.856 -1.944 -0.675 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.766 -0.956 0.047 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.032 -3.142 -0.200 1.00 45.30 N ATOM 0 H GLN B 110 5.911 -2.146 -3.179 1.00 2.30 H new ATOM 0 HA GLN B 110 7.312 -0.997 -1.051 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.970 -3.000 -2.401 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.314 -1.956 -3.766 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.381 -2.573 -2.649 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.112 -0.848 -2.492 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.102 -3.937 -0.835 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.100 -3.286 0.807 1.00 45.30 H new ATOM 1863 N LEU B 111 7.508 0.711 -3.870 1.00 33.52 N ATOM 1864 CA LEU B 111 7.832 2.007 -4.446 1.00 33.42 C ATOM 1865 C LEU B 111 6.997 3.099 -3.794 1.00 12.12 C ATOM 1866 O LEU B 111 7.525 4.121 -3.368 1.00 53.21 O ATOM 1867 CB LEU B 111 7.598 1.991 -5.962 1.00 75.22 C ATOM 1868 CG LEU B 111 8.427 0.976 -6.760 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.058 1.027 -8.233 1.00 72.44 C ATOM 1870 CD2 LEU B 111 9.918 1.233 -6.577 1.00 1.23 C ATOM 0 H LEU B 111 7.116 0.046 -4.536 1.00 33.52 H new ATOM 0 HA LEU B 111 8.885 2.216 -4.259 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.542 1.791 -6.145 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.806 2.987 -6.352 1.00 75.22 H new ATOM 0 HG LEU B 111 8.202 -0.021 -6.380 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.656 0.300 -8.783 1.00 72.44 H new ATOM 0 HD12 LEU B 111 7.001 0.791 -8.352 1.00 72.44 H new ATOM 0 HD13 LEU B 111 8.252 2.026 -8.622 1.00 72.44 H new ATOM 0 HD21 LEU B 111 10.486 0.502 -7.152 1.00 1.23 H new ATOM 0 HD22 LEU B 111 10.160 2.237 -6.927 1.00 1.23 H new ATOM 0 HD23 LEU B 111 10.176 1.145 -5.522 1.00 1.23 H new ATOM 1882 N ALA B 112 5.709 2.834 -3.667 1.00 72.35 N ATOM 1883 CA ALA B 112 4.764 3.772 -3.076 1.00 41.10 C ATOM 1884 C ALA B 112 5.114 4.052 -1.615 1.00 44.34 C ATOM 1885 O ALA B 112 5.060 5.192 -1.151 1.00 24.52 O ATOM 1886 CB ALA B 112 3.358 3.204 -3.174 1.00 4.33 C ATOM 0 H ALA B 112 5.284 1.958 -3.972 1.00 72.35 H new ATOM 0 HA ALA B 112 4.818 4.713 -3.624 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.651 3.906 -2.732 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.103 3.043 -4.221 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.311 2.255 -2.639 1.00 4.33 H new ATOM 1892 N LEU B 113 5.505 3.006 -0.927 1.00 33.43 N ATOM 1893 CA LEU B 113 5.840 3.042 0.473 1.00 23.45 C ATOM 1894 C LEU B 113 7.083 3.872 0.726 1.00 50.21 C ATOM 1895 O LEU B 113 7.118 4.691 1.643 1.00 21.23 O ATOM 1896 CB LEU B 113 6.066 1.620 0.962 1.00 32.41 C ATOM 1897 CG LEU B 113 6.381 1.461 2.425 1.00 61.44 C ATOM 1898 CD1 LEU B 113 5.246 2.016 3.253 1.00 11.43 C ATOM 1899 CD2 LEU B 113 6.627 -0.003 2.742 1.00 70.53 C ATOM 0 H LEU B 113 5.601 2.079 -1.341 1.00 33.43 H new ATOM 0 HA LEU B 113 5.015 3.504 1.015 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.174 1.035 0.738 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.884 1.186 0.387 1.00 32.41 H new ATOM 0 HG LEU B 113 7.286 2.018 2.669 1.00 61.44 H new ATOM 0 HD11 LEU B 113 5.477 1.899 4.312 1.00 11.43 H new ATOM 0 HD12 LEU B 113 5.113 3.074 3.025 1.00 11.43 H new ATOM 0 HD13 LEU B 113 4.328 1.476 3.020 1.00 11.43 H new ATOM 0 HD21 LEU B 113 6.855 -0.112 3.802 1.00 70.53 H new ATOM 0 HD22 LEU B 113 5.736 -0.582 2.500 1.00 70.53 H new ATOM 0 HD23 LEU B 113 7.467 -0.367 2.151 1.00 70.53 H new ATOM 1911 N LYS B 114 8.101 3.672 -0.078 1.00 52.33 N ATOM 1912 CA LYS B 114 9.300 4.444 0.092 1.00 54.10 C ATOM 1913 C LYS B 114 9.095 5.917 -0.258 1.00 25.41 C ATOM 1914 O LYS B 114 9.652 6.786 0.404 1.00 42.33 O ATOM 1915 CB LYS B 114 10.555 3.801 -0.524 1.00 63.32 C ATOM 1916 CG LYS B 114 10.420 3.294 -1.948 1.00 23.52 C ATOM 1917 CD LYS B 114 11.721 2.661 -2.429 1.00 64.34 C ATOM 1918 CE LYS B 114 12.094 1.440 -1.592 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.401 0.867 -1.980 1.00 33.32 N ATOM 0 H LYS B 114 8.121 2.995 -0.840 1.00 52.33 H new ATOM 0 HA LYS B 114 9.519 4.432 1.160 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.363 4.532 -0.496 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.858 2.967 0.109 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.614 2.562 -2.002 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.147 4.118 -2.607 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.620 2.369 -3.474 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.524 3.396 -2.380 1.00 64.34 H new ATOM 0 HE2 LYS B 114 12.121 1.720 -0.539 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.321 0.679 -1.700 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.609 0.041 -1.383 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.369 0.574 -2.977 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 14.145 1.582 -1.853 1.00 33.32 H new ATOM 1933 N ILE B 115 8.255 6.198 -1.256 1.00 54.11 N ATOM 1934 CA ILE B 115 7.895 7.591 -1.567 1.00 1.24 C ATOM 1935 C ILE B 115 7.200 8.209 -0.348 1.00 2.41 C ATOM 1936 O ILE B 115 7.515 9.332 0.061 1.00 64.12 O ATOM 1937 CB ILE B 115 6.948 7.694 -2.800 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.648 7.157 -4.048 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.510 9.145 -3.017 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.778 7.099 -5.290 1.00 35.31 C ATOM 0 H ILE B 115 7.816 5.498 -1.855 1.00 54.11 H new ATOM 0 HA ILE B 115 8.813 8.127 -1.809 1.00 1.24 H new ATOM 0 HB ILE B 115 6.060 7.090 -2.610 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.516 7.782 -4.258 1.00 62.35 H new ATOM 0 HG13 ILE B 115 8.021 6.155 -3.836 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.849 9.200 -3.882 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.981 9.502 -2.133 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.387 9.768 -3.191 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.360 6.706 -6.124 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.923 6.449 -5.105 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.426 8.101 -5.534 1.00 35.31 H new ATOM 1952 N ALA B 116 6.331 7.423 0.267 1.00 44.20 N ATOM 1953 CA ALA B 116 5.584 7.832 1.444 1.00 11.21 C ATOM 1954 C ALA B 116 6.532 8.155 2.582 1.00 70.10 C ATOM 1955 O ALA B 116 6.375 9.147 3.285 1.00 34.45 O ATOM 1956 CB ALA B 116 4.660 6.715 1.871 1.00 53.40 C ATOM 0 H ALA B 116 6.123 6.473 -0.041 1.00 44.20 H new ATOM 0 HA ALA B 116 5.003 8.721 1.198 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.100 7.023 2.754 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.965 6.488 1.062 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.247 5.827 2.105 1.00 53.40 H new ATOM 1962 N TYR B 117 7.512 7.311 2.738 1.00 50.04 N ATOM 1963 CA TYR B 117 8.495 7.431 3.774 1.00 11.22 C ATOM 1964 C TYR B 117 9.452 8.621 3.546 1.00 40.54 C ATOM 1965 O TYR B 117 9.605 9.459 4.427 1.00 51.22 O ATOM 1966 CB TYR B 117 9.239 6.092 3.891 1.00 31.54 C ATOM 1967 CG TYR B 117 10.403 6.062 4.840 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.227 6.125 6.216 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.684 5.955 4.345 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.313 6.084 7.071 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.775 5.908 5.185 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.586 5.973 6.547 1.00 45.04 C ATOM 1973 OH TYR B 117 13.676 5.924 7.390 1.00 12.24 O ATOM 0 H TYR B 117 7.652 6.502 2.133 1.00 50.04 H new ATOM 0 HA TYR B 117 7.998 7.651 4.719 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.525 5.329 4.200 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.597 5.811 2.901 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.230 6.207 6.623 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.836 5.907 3.277 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.167 6.138 8.140 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.771 5.821 4.778 1.00 14.05 H new ATOM 0 HH TYR B 117 14.496 5.844 6.860 1.00 12.24 H new ATOM 1983 N TYR B 118 10.058 8.719 2.361 1.00 52.41 N ATOM 1984 CA TYR B 118 11.029 9.796 2.085 1.00 3.45 C ATOM 1985 C TYR B 118 10.378 11.173 1.973 1.00 25.43 C ATOM 1986 O TYR B 118 10.975 12.173 2.345 1.00 40.30 O ATOM 1987 CB TYR B 118 11.896 9.500 0.845 1.00 51.32 C ATOM 1988 CG TYR B 118 12.845 8.332 1.021 1.00 74.11 C ATOM 1989 CD1 TYR B 118 14.017 8.473 1.746 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.567 7.097 0.468 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.878 7.408 1.915 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.419 6.031 0.629 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.570 6.189 1.354 1.00 75.33 C ATOM 1994 OH TYR B 118 15.422 5.116 1.527 1.00 10.50 O ATOM 0 H TYR B 118 9.901 8.079 1.583 1.00 52.41 H new ATOM 0 HA TYR B 118 11.686 9.821 2.955 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.242 9.299 -0.003 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.474 10.390 0.598 1.00 51.32 H new ATOM 0 HD1 TYR B 118 14.260 9.429 2.185 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.660 6.966 -0.104 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.788 7.530 2.484 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.182 5.075 0.187 1.00 0.00 H new ATOM 0 HH TYR B 118 15.057 4.331 1.068 1.00 10.50 H new ATOM 2004 N LEU B 119 9.171 11.219 1.470 1.00 43.52 N ATOM 2005 CA LEU B 119 8.470 12.493 1.337 1.00 35.04 C ATOM 2006 C LEU B 119 7.577 12.770 2.540 1.00 52.42 C ATOM 2007 O LEU B 119 6.879 13.789 2.582 1.00 34.31 O ATOM 2008 CB LEU B 119 7.693 12.626 0.005 1.00 34.25 C ATOM 2009 CG LEU B 119 8.533 12.836 -1.285 1.00 75.05 C ATOM 2010 CD1 LEU B 119 9.360 11.612 -1.665 1.00 73.24 C ATOM 2011 CD2 LEU B 119 7.656 13.281 -2.440 1.00 30.33 C ATOM 0 H LEU B 119 8.649 10.405 1.146 1.00 43.52 H new ATOM 0 HA LEU B 119 9.243 13.261 1.311 1.00 35.04 H new ATOM 0 HB2 LEU B 119 7.090 11.728 -0.126 1.00 34.25 H new ATOM 0 HB3 LEU B 119 7.001 13.463 0.099 1.00 34.25 H new ATOM 0 HG LEU B 119 9.245 13.631 -1.063 1.00 75.05 H new ATOM 0 HD11 LEU B 119 9.924 11.822 -2.574 1.00 73.24 H new ATOM 0 HD12 LEU B 119 10.051 11.374 -0.856 1.00 73.24 H new ATOM 0 HD13 LEU B 119 8.697 10.764 -1.837 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.270 13.421 -3.330 1.00 30.33 H new ATOM 0 HD22 LEU B 119 6.900 12.521 -2.636 1.00 30.33 H new ATOM 0 HD23 LEU B 119 7.168 14.222 -2.185 1.00 30.33 H new ATOM 2022 N ASN B 120 7.616 11.847 3.501 1.00 23.44 N ATOM 2023 CA ASN B 120 6.885 11.918 4.784 1.00 34.54 C ATOM 2024 C ASN B 120 5.410 12.224 4.564 1.00 23.31 C ATOM 2025 O ASN B 120 4.937 13.346 4.808 1.00 53.04 O ATOM 2026 CB ASN B 120 7.508 12.942 5.757 1.00 0.13 C ATOM 2027 CG ASN B 120 6.870 12.890 7.137 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.465 11.831 7.603 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.763 14.018 7.792 1.00 61.11 N ATOM 0 H ASN B 120 8.174 10.997 3.413 1.00 23.44 H new ATOM 0 HA ASN B 120 6.970 10.934 5.245 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.577 12.751 5.846 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.397 13.945 5.345 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.333 14.032 8.717 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.110 14.883 7.378 1.00 61.11 H new ATOM 2036 N THR B 121 4.703 11.273 4.022 1.00 45.02 N ATOM 2037 CA THR B 121 3.324 11.451 3.700 1.00 24.13 C ATOM 2038 C THR B 121 2.618 10.108 3.871 1.00 75.14 C ATOM 2039 O THR B 121 3.179 9.080 3.509 1.00 45.22 O ATOM 2040 CB THR B 121 3.188 11.912 2.223 1.00 33.24 C ATOM 2041 OG1 THR B 121 4.123 12.977 1.961 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.788 12.419 1.948 1.00 53.13 C ATOM 0 H THR B 121 5.073 10.351 3.792 1.00 45.02 H new ATOM 0 HA THR B 121 2.881 12.204 4.352 1.00 24.13 H new ATOM 0 HB THR B 121 3.395 11.058 1.578 1.00 33.24 H new ATOM 0 HG1 THR B 121 4.737 12.705 1.248 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.714 12.737 0.908 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.069 11.622 2.136 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.572 13.264 2.602 1.00 53.13 H new ATOM 2050 N PRO B 122 1.421 10.088 4.473 1.00 2.53 N ATOM 2051 CA PRO B 122 0.636 8.863 4.608 1.00 62.14 C ATOM 2052 C PRO B 122 0.274 8.308 3.236 1.00 22.43 C ATOM 2053 O PRO B 122 -0.042 9.077 2.316 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.634 9.323 5.326 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.271 10.616 5.969 1.00 3.21 C ATOM 2056 CD PRO B 122 0.748 11.245 5.084 1.00 22.03 C ATOM 0 HA PRO B 122 1.174 8.077 5.139 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.459 9.450 4.625 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.955 8.591 6.067 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.146 11.258 6.074 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.128 10.455 6.970 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.288 11.887 4.332 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.445 11.864 5.649 1.00 22.03 H new ATOM 2064 N LEU B 123 0.301 6.990 3.102 1.00 62.42 N ATOM 2065 CA LEU B 123 0.009 6.322 1.834 1.00 13.13 C ATOM 2066 C LEU B 123 -1.371 6.707 1.326 1.00 71.12 C ATOM 2067 O LEU B 123 -1.550 6.966 0.132 1.00 53.41 O ATOM 2068 CB LEU B 123 0.130 4.776 1.935 1.00 34.12 C ATOM 2069 CG LEU B 123 1.536 4.164 2.178 1.00 42.20 C ATOM 2070 CD1 LEU B 123 2.080 4.506 3.560 1.00 13.21 C ATOM 2071 CD2 LEU B 123 1.473 2.655 2.031 1.00 35.04 C ATOM 0 H LEU B 123 0.525 6.351 3.865 1.00 62.42 H new ATOM 0 HA LEU B 123 0.761 6.662 1.121 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.522 4.443 2.743 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.263 4.350 1.012 1.00 34.12 H new ATOM 0 HG LEU B 123 2.208 4.592 1.434 1.00 42.20 H new ATOM 0 HD11 LEU B 123 3.065 4.057 3.685 1.00 13.21 H new ATOM 0 HD12 LEU B 123 2.159 5.588 3.662 1.00 13.21 H new ATOM 0 HD13 LEU B 123 1.405 4.118 4.323 1.00 13.21 H new ATOM 0 HD21 LEU B 123 2.462 2.231 2.203 1.00 35.04 H new ATOM 0 HD22 LEU B 123 0.772 2.247 2.760 1.00 35.04 H new ATOM 0 HD23 LEU B 123 1.139 2.401 1.025 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.331 6.783 2.249 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.703 7.188 1.932 1.00 25.13 C ATOM 2084 C GLU B 124 -3.763 8.591 1.347 1.00 23.31 C ATOM 2085 O GLU B 124 -4.628 8.900 0.552 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.582 7.144 3.178 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.681 5.785 3.831 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.636 5.784 4.992 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.853 5.541 4.793 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -5.207 6.035 6.124 1.00 71.30 O ATOM 0 H GLU B 124 -2.181 6.567 3.234 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.071 6.481 1.189 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.192 7.855 3.907 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.585 7.478 2.911 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.007 5.052 3.093 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.694 5.475 4.174 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.878 9.446 1.785 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.852 10.812 1.295 1.00 63.41 C ATOM 2099 C ASP B 125 -2.326 10.865 -0.144 1.00 42.14 C ATOM 2100 O ASP B 125 -2.836 11.627 -0.990 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.030 11.714 2.213 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.222 13.174 1.894 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.251 13.741 2.300 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.369 13.790 1.261 1.00 14.52 O ATOM 0 H ASP B 125 -2.163 9.228 2.479 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.876 11.186 1.295 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.313 11.530 3.249 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -0.974 11.459 2.120 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.322 10.028 -0.407 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.646 9.982 -1.702 1.00 73.13 C ATOM 2111 C ILE B 126 -1.537 9.353 -2.765 1.00 51.12 C ATOM 2112 O ILE B 126 -1.724 9.898 -3.850 1.00 44.15 O ATOM 2113 CB ILE B 126 0.701 9.217 -1.653 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.577 9.753 -0.524 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.429 9.365 -2.990 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.911 9.056 -0.394 1.00 50.54 C ATOM 0 H ILE B 126 -0.955 9.362 0.273 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.435 11.019 -1.962 1.00 73.13 H new ATOM 0 HB ILE B 126 0.498 8.162 -1.467 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.749 10.817 -0.686 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.036 9.658 0.418 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.375 8.826 -2.951 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.810 8.955 -3.788 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.621 10.420 -3.185 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.472 9.496 0.430 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.750 7.996 -0.199 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.474 9.173 -1.320 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.059 8.196 -2.463 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.894 7.505 -3.402 1.00 22.52 C ATOM 2130 C PHE B 127 -4.304 7.454 -2.890 1.00 61.31 C ATOM 2131 O PHE B 127 -4.542 7.222 -1.704 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.370 6.075 -3.652 1.00 0.12 C ATOM 2133 CG PHE B 127 -0.984 6.021 -4.221 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.783 6.051 -5.586 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.119 5.943 -3.388 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.492 6.004 -6.111 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.392 5.898 -3.908 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.581 5.929 -5.271 1.00 22.32 C ATOM 0 H PHE B 127 -1.920 7.714 -1.575 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.874 8.048 -4.347 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.387 5.524 -2.712 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.051 5.564 -4.333 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -1.633 6.112 -6.250 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.021 5.917 -2.317 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.636 6.026 -7.181 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.243 5.838 -3.246 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.580 5.895 -5.680 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.233 7.637 -3.773 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.605 7.596 -3.417 1.00 2.15 C ATOM 2150 C GLN B 128 -7.222 6.343 -3.948 1.00 41.21 C ATOM 2151 O GLN B 128 -7.140 6.049 -5.141 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.350 8.840 -3.911 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.835 8.836 -3.579 1.00 54.21 C ATOM 2154 CD GLN B 128 -9.489 10.164 -3.839 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -9.541 11.014 -2.959 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.980 10.374 -5.030 1.00 41.41 N ATOM 0 H GLN B 128 -5.056 7.819 -4.761 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.685 7.593 -2.330 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.891 9.726 -3.472 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.228 8.920 -4.991 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.334 8.068 -4.170 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.968 8.568 -2.531 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.921 9.646 -5.742 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -10.423 11.266 -5.249 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.814 5.617 -3.080 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.446 4.390 -3.425 1.00 61.35 C ATOM 2167 C TRP B 129 -9.929 4.445 -3.193 1.00 61.52 C ATOM 2168 O TRP B 129 -10.408 4.673 -2.075 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.782 3.197 -2.727 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.124 3.533 -1.416 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -7.725 3.830 -0.225 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.713 3.583 -1.178 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -6.769 4.077 0.730 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.526 3.924 0.167 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.591 3.372 -1.982 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.260 4.055 0.729 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.339 3.503 -1.422 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.184 3.840 -0.080 1.00 31.53 C ATOM 0 H TRP B 129 -7.878 5.856 -2.091 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.308 4.238 -4.495 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.534 2.427 -2.556 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.035 2.770 -3.396 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -8.792 3.865 -0.059 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -6.953 4.333 1.700 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.703 3.111 -3.024 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.134 4.318 1.769 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.464 3.342 -2.034 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.189 3.933 0.329 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.642 4.286 -4.258 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.067 4.282 -4.247 1.00 11.44 C ATOM 2191 C GLN B 130 -12.559 2.866 -4.497 1.00 30.22 C ATOM 2192 O GLN B 130 -12.419 2.351 -5.618 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.610 5.200 -5.345 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.269 6.682 -5.223 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.918 7.374 -4.036 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.136 6.788 -2.983 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.280 8.603 -4.221 1.00 53.21 N ATOM 0 H GLN B 130 -10.239 4.152 -5.185 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.417 4.640 -3.279 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.237 4.842 -6.305 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.695 5.100 -5.367 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.187 6.789 -5.145 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.575 7.190 -6.137 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -13.084 9.064 -5.110 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.761 9.110 -3.478 1.00 53.21 H new ATOM 2206 N PRO B 131 -13.054 2.181 -3.456 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.642 0.849 -3.597 1.00 13.14 C ATOM 2208 C PRO B 131 -15.048 0.953 -4.192 1.00 44.11 C ATOM 2209 O PRO B 131 -15.506 0.075 -4.936 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.722 0.328 -2.143 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.966 1.319 -1.312 1.00 34.32 C ATOM 2212 CD PRO B 131 -13.037 2.619 -2.049 1.00 62.43 C ATOM 0 HA PRO B 131 -13.065 0.198 -4.254 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.758 0.250 -1.812 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -13.285 -0.667 -2.059 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -13.405 1.410 -0.319 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.931 1.004 -1.176 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.931 3.186 -1.789 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.180 3.257 -1.832 1.00 62.43 H new