USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1146 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -0.421 X(o=-1.8,f=-2.3) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.4! C(o=-1.8!,f=-6.3!) USER MOD Set 2.1: A 40 ASN : amide:sc= 0.608 K(o=1.3,f=0.45) USER MOD Set 2.2: A 42 SER OG : rot -15:sc= 0.671 USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= 0.00199 X(o=0,f=0.0049) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.00293 X(o=0.0049,f=0) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.18 (180deg=-0.943) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.12 (180deg=1) USER MOD Single : A 4 ASN : amide:sc= -2.96! C(o=-3!,f=-12!) USER MOD Single : A 5 ASN : amide:sc= 0.662 K(o=0.66,f=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.941) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.1) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0278 (180deg=-0.206) USER MOD Single : A 16 SER OG : rot 180:sc= 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 29 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.73) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.035) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0.028) USER MOD Single : A 55 THR OG1 : rot -150:sc= 0 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -3.72! C(o=-3.7!,f=-6!) USER MOD Single : B 71 ASN : amide:sc= 0.556 K(o=0.56,f=0) USER MOD Single : B 73 LYS NZ :NH3+ 151:sc= 0.266 (180deg=-1.46) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 171:sc= -0.0256 (180deg=-0.172) 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 :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : B 84 SER OG : rot 179:sc= -0.679 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.3!) USER MOD Single : B 96 THR OG1 : rot 180:sc= 0 USER MOD Single : B 98 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.6!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.11) 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=-0.00454 X(o=-0.0045,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.032) 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= -0.028 K(o=-0.028,f=-1) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0 USER MOD Single : B 128 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.508 -5.103 5.564 1.00 4.52 N ATOM 2 CA MET A 1 11.799 -5.958 6.511 1.00 15.43 C ATOM 3 C MET A 1 10.356 -5.538 6.624 1.00 54.41 C ATOM 4 O MET A 1 10.051 -4.413 7.010 1.00 33.23 O ATOM 5 CB MET A 1 12.448 -5.929 7.901 1.00 32.24 C ATOM 6 CG MET A 1 13.823 -6.567 7.977 1.00 0.23 C ATOM 7 SD MET A 1 14.541 -6.469 9.632 1.00 54.32 S ATOM 8 CE MET A 1 14.664 -4.687 9.813 1.00 74.51 C ATOM 0 H1 MET A 1 13.434 -5.522 5.343 1.00 4.52 H new ATOM 0 H2 MET A 1 11.950 -5.015 4.691 1.00 4.52 H new ATOM 0 H3 MET A 1 12.646 -4.161 5.983 1.00 4.52 H new ATOM 0 HA MET A 1 11.855 -6.977 6.128 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.526 -4.892 8.228 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.788 -6.437 8.605 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.752 -7.612 7.677 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.488 -6.076 7.266 1.00 0.23 H new ATOM 0 HE1 MET A 1 15.428 -4.448 10.553 1.00 74.51 H new ATOM 0 HE2 MET A 1 14.935 -4.242 8.856 1.00 74.51 H new ATOM 0 HE3 MET A 1 13.704 -4.287 10.140 1.00 74.51 H new ATOM 20 N ILE A 2 9.477 -6.418 6.268 1.00 22.43 N ATOM 21 CA ILE A 2 8.070 -6.177 6.408 1.00 32.41 C ATOM 22 C ILE A 2 7.575 -6.959 7.613 1.00 45.13 C ATOM 23 O ILE A 2 7.907 -8.141 7.778 1.00 32.11 O ATOM 24 CB ILE A 2 7.273 -6.575 5.120 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.723 -5.724 3.913 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.757 -6.460 5.325 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.530 -4.226 4.084 1.00 54.01 C ATOM 0 H ILE A 2 9.711 -7.328 5.870 1.00 22.43 H new ATOM 0 HA ILE A 2 7.903 -5.110 6.553 1.00 32.41 H new ATOM 0 HB ILE A 2 7.496 -7.622 4.913 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.778 -5.921 3.720 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.171 -6.049 3.031 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.243 -6.745 4.407 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.448 -7.121 6.134 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.501 -5.431 5.579 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.874 -3.710 3.187 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.473 -4.011 4.244 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.104 -3.881 4.944 1.00 54.01 H new ATOM 39 N ILE A 3 6.813 -6.318 8.440 1.00 31.31 N ATOM 40 CA ILE A 3 6.281 -6.922 9.629 1.00 25.12 C ATOM 41 C ILE A 3 4.792 -7.032 9.406 1.00 13.31 C ATOM 42 O ILE A 3 4.137 -6.031 9.079 1.00 33.20 O ATOM 43 CB ILE A 3 6.558 -6.039 10.874 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.067 -5.757 10.990 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.031 -6.717 12.144 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.442 -4.836 12.125 1.00 2.41 C ATOM 0 H ILE A 3 6.536 -5.345 8.310 1.00 31.31 H new ATOM 0 HA ILE A 3 6.743 -7.892 9.812 1.00 25.12 H new ATOM 0 HB ILE A 3 6.034 -5.090 10.758 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.593 -6.703 11.117 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.416 -5.321 10.054 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.235 -6.082 13.007 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.956 -6.873 12.054 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.527 -7.679 12.276 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.522 -4.691 12.134 1.00 2.41 H new ATOM 0 HD12 ILE A 3 7.948 -3.874 11.991 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.127 -5.277 13.071 1.00 2.41 H new ATOM 58 N ASN A 4 4.260 -8.208 9.530 1.00 20.22 N ATOM 59 CA ASN A 4 2.873 -8.452 9.234 1.00 24.23 C ATOM 60 C ASN A 4 2.062 -8.470 10.518 1.00 32.00 C ATOM 61 O ASN A 4 2.346 -9.251 11.428 1.00 60.31 O ATOM 62 CB ASN A 4 2.780 -9.817 8.523 1.00 41.35 C ATOM 63 CG ASN A 4 1.401 -10.203 8.015 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.373 -9.836 8.565 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.384 -10.964 6.964 1.00 33.01 N ATOM 0 H ASN A 4 4.774 -9.033 9.840 1.00 20.22 H new ATOM 0 HA ASN A 4 2.473 -7.664 8.595 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.470 -9.814 7.679 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.122 -10.589 9.212 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.494 -11.274 6.573 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.260 -11.252 6.529 1.00 33.01 H new ATOM 72 N ASN A 5 1.054 -7.630 10.586 1.00 65.43 N ATOM 73 CA ASN A 5 0.169 -7.571 11.739 1.00 54.20 C ATOM 74 C ASN A 5 -1.250 -7.800 11.271 1.00 74.31 C ATOM 75 O ASN A 5 -2.188 -7.616 12.024 1.00 70.34 O ATOM 76 CB ASN A 5 0.213 -6.202 12.436 1.00 72.22 C ATOM 77 CG ASN A 5 1.528 -5.833 13.076 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.279 -6.684 13.561 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.817 -4.555 13.083 1.00 62.53 N ATOM 0 H ASN A 5 0.820 -6.967 9.847 1.00 65.43 H new ATOM 0 HA ASN A 5 0.498 -8.333 12.446 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.042 -5.435 11.705 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.561 -6.181 13.203 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.690 -4.232 13.500 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.169 -3.883 12.671 1.00 62.53 H new ATOM 86 N LEU A 6 -1.400 -8.244 10.022 1.00 31.42 N ATOM 87 CA LEU A 6 -2.715 -8.456 9.392 1.00 41.12 C ATOM 88 C LEU A 6 -3.538 -9.422 10.238 1.00 32.41 C ATOM 89 O LEU A 6 -4.719 -9.202 10.500 1.00 15.34 O ATOM 90 CB LEU A 6 -2.491 -8.972 7.930 1.00 22.14 C ATOM 91 CG LEU A 6 -3.707 -9.233 7.004 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.431 -10.531 7.334 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.665 -8.065 7.049 1.00 33.32 C ATOM 0 H LEU A 6 -0.614 -8.469 9.413 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.279 -7.525 9.336 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.849 -8.249 7.426 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.930 -9.904 7.998 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.317 -9.339 5.992 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.273 -10.661 6.654 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.743 -11.369 7.224 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.796 -10.493 8.360 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.513 -8.264 6.394 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -5.021 -7.925 8.070 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -4.154 -7.162 6.716 1.00 33.32 H new ATOM 105 N LYS A 7 -2.880 -10.456 10.682 1.00 14.34 N ATOM 106 CA LYS A 7 -3.462 -11.462 11.543 1.00 42.10 C ATOM 107 C LYS A 7 -3.933 -10.864 12.892 1.00 53.11 C ATOM 108 O LYS A 7 -5.011 -11.207 13.385 1.00 74.22 O ATOM 109 CB LYS A 7 -2.452 -12.604 11.721 1.00 5.41 C ATOM 110 CG LYS A 7 -1.047 -12.132 12.097 1.00 35.52 C ATOM 111 CD LYS A 7 -0.028 -13.256 12.029 1.00 25.45 C ATOM 112 CE LYS A 7 -0.290 -14.342 13.054 1.00 12.21 C ATOM 113 NZ LYS A 7 0.632 -15.480 12.880 1.00 61.12 N ATOM 0 H LYS A 7 -1.902 -10.632 10.453 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.362 -11.864 11.077 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -2.816 -13.282 12.493 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.397 -13.176 10.795 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.744 -11.328 11.427 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.062 -11.718 13.105 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.040 -13.693 11.031 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.970 -12.847 12.185 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -0.179 -13.932 14.058 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -1.319 -14.689 12.964 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 0.427 -16.206 13.596 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 0.507 -15.886 11.931 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 1.613 -15.152 12.990 1.00 61.12 H new ATOM 127 N LEU A 8 -3.134 -9.955 13.451 1.00 3.54 N ATOM 128 CA LEU A 8 -3.444 -9.272 14.711 1.00 24.22 C ATOM 129 C LEU A 8 -4.646 -8.330 14.523 1.00 33.32 C ATOM 130 O LEU A 8 -5.543 -8.289 15.357 1.00 35.35 O ATOM 131 CB LEU A 8 -2.173 -8.510 15.208 1.00 15.15 C ATOM 132 CG LEU A 8 -2.137 -7.946 16.662 1.00 23.14 C ATOM 133 CD1 LEU A 8 -3.051 -6.746 16.858 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.460 -9.040 17.671 1.00 34.11 C ATOM 0 H LEU A 8 -2.246 -9.668 13.040 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.723 -10.000 15.473 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.324 -9.184 15.098 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.007 -7.674 14.529 1.00 15.15 H new ATOM 0 HG LEU A 8 -1.120 -7.592 16.833 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.981 -6.400 17.889 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.748 -5.944 16.185 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -4.080 -7.033 16.640 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.430 -8.626 18.679 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.456 -9.437 17.471 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.726 -9.842 17.586 1.00 34.11 H new ATOM 146 N ILE A 9 -4.670 -7.600 13.413 1.00 72.34 N ATOM 147 CA ILE A 9 -5.784 -6.689 13.106 1.00 55.53 C ATOM 148 C ILE A 9 -7.076 -7.471 12.907 1.00 3.21 C ATOM 149 O ILE A 9 -8.155 -7.032 13.322 1.00 40.20 O ATOM 150 CB ILE A 9 -5.490 -5.698 11.914 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.622 -4.505 12.379 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.781 -5.170 11.281 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.262 -4.849 12.927 1.00 1.24 C ATOM 0 H ILE A 9 -3.934 -7.616 12.707 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.906 -6.042 13.975 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.943 -6.268 11.163 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.491 -3.827 11.536 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.172 -3.958 13.145 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.535 -4.491 10.464 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.365 -6.005 10.895 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.363 -4.637 12.033 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.746 -3.935 13.220 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.373 -5.497 13.796 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.681 -5.364 12.162 1.00 1.24 H new ATOM 165 N ARG A 10 -6.958 -8.633 12.291 1.00 23.44 N ATOM 166 CA ARG A 10 -8.089 -9.533 12.148 1.00 2.23 C ATOM 167 C ARG A 10 -8.661 -9.913 13.499 1.00 61.23 C ATOM 168 O ARG A 10 -9.850 -10.105 13.611 1.00 0.10 O ATOM 169 CB ARG A 10 -7.721 -10.782 11.375 1.00 24.15 C ATOM 170 CG ARG A 10 -7.630 -10.589 9.881 1.00 71.12 C ATOM 171 CD ARG A 10 -7.192 -11.871 9.210 1.00 32.20 C ATOM 172 NE ARG A 10 -7.999 -13.019 9.637 1.00 64.13 N ATOM 173 CZ ARG A 10 -7.863 -14.257 9.180 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.207 -14.488 8.045 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.438 -15.240 9.829 1.00 51.23 N ATOM 0 H ARG A 10 -6.089 -8.977 11.881 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.849 -8.995 11.582 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.762 -11.151 11.740 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.461 -11.555 11.584 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.598 -10.278 9.488 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -6.923 -9.792 9.653 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.267 -11.758 8.128 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.143 -12.060 9.439 1.00 32.20 H new ATOM 0 HE ARG A 10 -8.720 -12.853 10.339 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.805 -13.711 7.521 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.106 -15.442 7.699 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -8.980 -15.047 10.671 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.344 -16.198 9.492 1.00 51.23 H new ATOM 189 N GLU A 11 -7.790 -10.060 14.504 1.00 3.43 N ATOM 190 CA GLU A 11 -8.208 -10.326 15.878 1.00 32.25 C ATOM 191 C GLU A 11 -8.883 -9.109 16.520 1.00 23.22 C ATOM 192 O GLU A 11 -9.719 -9.254 17.413 1.00 24.24 O ATOM 193 CB GLU A 11 -7.064 -10.834 16.742 1.00 73.21 C ATOM 194 CG GLU A 11 -6.426 -12.093 16.211 1.00 31.54 C ATOM 195 CD GLU A 11 -5.616 -12.816 17.242 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.457 -12.435 17.506 1.00 73.43 O ATOM 197 OE2 GLU A 11 -6.132 -13.791 17.815 1.00 52.20 O ATOM 0 H GLU A 11 -6.779 -9.997 14.384 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.950 -11.123 15.821 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.305 -10.056 16.821 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.435 -11.021 17.750 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.204 -12.758 15.836 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.786 -11.841 15.365 1.00 31.54 H new ATOM 204 N LYS A 12 -8.419 -7.915 16.140 1.00 12.34 N ATOM 205 CA LYS A 12 -9.020 -6.644 16.585 1.00 0.30 C ATOM 206 C LYS A 12 -10.514 -6.544 16.181 1.00 41.03 C ATOM 207 O LYS A 12 -11.322 -5.909 16.872 1.00 70.21 O ATOM 208 CB LYS A 12 -8.189 -5.444 16.080 1.00 31.15 C ATOM 209 CG LYS A 12 -6.745 -5.473 16.598 1.00 63.14 C ATOM 210 CD LYS A 12 -5.862 -4.342 16.054 1.00 63.03 C ATOM 211 CE LYS A 12 -6.350 -2.970 16.476 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.378 -1.901 16.141 1.00 22.43 N ATOM 0 H LYS A 12 -7.619 -7.797 15.518 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.998 -6.619 17.674 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.181 -5.444 14.990 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.667 -4.516 16.395 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.760 -5.417 17.686 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.295 -6.430 16.334 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.839 -4.484 16.404 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.837 -4.396 14.966 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.302 -2.759 15.988 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.535 -2.967 17.550 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.861 -0.980 16.142 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.614 -1.893 16.847 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.976 -2.080 15.198 1.00 22.43 H new ATOM 226 N LYS A 13 -10.860 -7.147 15.066 1.00 11.23 N ATOM 227 CA LYS A 13 -12.254 -7.353 14.676 1.00 71.54 C ATOM 228 C LYS A 13 -12.448 -8.857 14.782 1.00 62.41 C ATOM 229 O LYS A 13 -11.691 -9.470 15.502 1.00 22.21 O ATOM 230 CB LYS A 13 -12.512 -6.818 13.252 1.00 24.24 C ATOM 231 CG LYS A 13 -12.318 -5.301 13.139 1.00 24.13 C ATOM 232 CD LYS A 13 -13.252 -4.561 14.096 1.00 4.22 C ATOM 233 CE LYS A 13 -12.972 -3.062 14.156 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.238 -2.353 12.881 1.00 54.41 N ATOM 0 H LYS A 13 -10.185 -7.514 14.394 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.962 -6.814 15.306 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.840 -7.318 12.554 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.529 -7.072 12.953 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -11.283 -5.045 13.364 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.511 -4.981 12.115 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -14.284 -4.721 13.785 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -13.151 -4.985 15.095 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.583 -2.619 14.942 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.930 -2.907 14.437 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -13.426 -1.349 13.075 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -12.409 -2.436 12.258 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -14.065 -2.776 12.414 1.00 54.41 H new ATOM 248 N LYS A 14 -13.442 -9.487 14.214 1.00 71.43 N ATOM 249 CA LYS A 14 -13.391 -10.940 14.207 1.00 32.42 C ATOM 250 C LYS A 14 -13.925 -11.510 12.916 1.00 13.24 C ATOM 251 O LYS A 14 -15.115 -11.817 12.787 1.00 5.54 O ATOM 252 CB LYS A 14 -14.059 -11.584 15.448 1.00 73.24 C ATOM 253 CG LYS A 14 -15.456 -11.080 15.773 1.00 40.21 C ATOM 254 CD LYS A 14 -16.059 -11.874 16.910 1.00 43.22 C ATOM 255 CE LYS A 14 -17.391 -11.306 17.353 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.254 -9.962 17.956 1.00 23.43 N ATOM 0 H LYS A 14 -14.255 -9.057 13.772 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.336 -11.205 14.271 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.107 -12.662 15.295 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.419 -11.413 16.314 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.414 -10.025 16.042 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.091 -11.159 14.891 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.192 -12.910 16.598 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.369 -11.881 17.754 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -18.063 -11.251 16.497 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.850 -11.981 18.075 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -18.133 -9.713 18.453 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -16.463 -9.963 18.631 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -17.070 -9.263 17.208 1.00 23.43 H new ATOM 270 N ILE A 15 -13.065 -11.567 11.934 1.00 13.13 N ATOM 271 CA ILE A 15 -13.396 -12.137 10.653 1.00 43.54 C ATOM 272 C ILE A 15 -12.306 -13.138 10.290 1.00 51.30 C ATOM 273 O ILE A 15 -11.111 -12.826 10.399 1.00 65.41 O ATOM 274 CB ILE A 15 -13.500 -11.049 9.540 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.493 -9.947 9.944 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.944 -11.682 8.229 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.598 -8.816 8.946 1.00 1.24 C ATOM 0 H ILE A 15 -12.109 -11.217 12.000 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.370 -12.621 10.722 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.515 -10.601 9.410 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.479 -10.392 10.078 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.194 -9.539 10.909 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.013 -10.914 7.459 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.218 -12.436 7.925 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.919 -12.150 8.363 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.318 -8.080 9.304 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.623 -8.342 8.829 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.928 -9.209 7.984 1.00 1.24 H new ATOM 289 N SER A 16 -12.700 -14.315 9.865 1.00 2.42 N ATOM 290 CA SER A 16 -11.754 -15.350 9.567 1.00 41.31 C ATOM 291 C SER A 16 -11.400 -15.336 8.068 1.00 13.21 C ATOM 292 O SER A 16 -11.946 -14.516 7.299 1.00 35.13 O ATOM 293 CB SER A 16 -12.316 -16.691 10.015 1.00 43.33 C ATOM 294 OG SER A 16 -12.734 -16.608 11.378 1.00 71.34 O ATOM 0 H SER A 16 -13.675 -14.575 9.719 1.00 2.42 H new ATOM 0 HA SER A 16 -10.827 -15.176 10.113 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.158 -16.972 9.383 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.560 -17.468 9.903 1.00 43.33 H new ATOM 0 HG SER A 16 -13.097 -17.473 11.662 1.00 71.34 H new ATOM 300 N GLN A 17 -10.525 -16.247 7.653 1.00 45.12 N ATOM 301 CA GLN A 17 -10.006 -16.257 6.291 1.00 65.34 C ATOM 302 C GLN A 17 -11.079 -16.502 5.245 1.00 13.44 C ATOM 303 O GLN A 17 -11.073 -15.865 4.193 1.00 12.11 O ATOM 304 CB GLN A 17 -8.841 -17.244 6.121 1.00 30.22 C ATOM 305 CG GLN A 17 -9.134 -18.664 6.569 1.00 4.43 C ATOM 306 CD GLN A 17 -8.022 -19.625 6.219 1.00 53.31 C ATOM 307 OE1 GLN A 17 -7.046 -19.748 7.074 1.00 72.33 O flip ATOM 308 NE2 GLN A 17 -8.036 -20.234 5.153 1.00 45.23 N flip ATOM 0 H GLN A 17 -10.159 -16.992 8.246 1.00 45.12 H new ATOM 0 HA GLN A 17 -9.622 -15.251 6.121 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.551 -17.263 5.071 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -7.984 -16.871 6.682 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.293 -18.675 7.647 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.061 -19.003 6.107 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -8.816 -20.114 4.507 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -7.267 -20.860 4.913 1.00 45.23 H new ATOM 317 N SER A 18 -12.016 -17.386 5.533 1.00 55.44 N ATOM 318 CA SER A 18 -13.039 -17.727 4.574 1.00 52.11 C ATOM 319 C SER A 18 -13.988 -16.541 4.313 1.00 62.21 C ATOM 320 O SER A 18 -14.330 -16.251 3.159 1.00 10.02 O ATOM 321 CB SER A 18 -13.798 -18.956 5.065 1.00 45.03 C ATOM 322 OG SER A 18 -12.888 -20.019 5.363 1.00 21.34 O ATOM 0 H SER A 18 -12.086 -17.878 6.424 1.00 55.44 H new ATOM 0 HA SER A 18 -12.567 -17.961 3.620 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.375 -18.703 5.954 1.00 45.03 H new ATOM 0 HB3 SER A 18 -14.509 -19.280 4.305 1.00 45.03 H new ATOM 0 HG SER A 18 -13.389 -20.800 5.678 1.00 21.34 H new ATOM 328 N GLU A 19 -14.386 -15.856 5.376 1.00 50.43 N ATOM 329 CA GLU A 19 -15.268 -14.702 5.260 1.00 3.23 C ATOM 330 C GLU A 19 -14.583 -13.574 4.508 1.00 41.23 C ATOM 331 O GLU A 19 -15.190 -12.950 3.635 1.00 11.14 O ATOM 332 CB GLU A 19 -15.764 -14.186 6.621 1.00 33.34 C ATOM 333 CG GLU A 19 -16.469 -15.205 7.503 1.00 42.23 C ATOM 334 CD GLU A 19 -15.523 -16.121 8.221 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.100 -17.147 7.646 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.171 -15.820 9.377 1.00 64.25 O ATOM 0 H GLU A 19 -14.111 -16.080 6.332 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.140 -15.042 4.702 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.910 -13.789 7.170 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.445 -13.354 6.445 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.082 -14.680 8.235 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.146 -15.800 6.890 1.00 42.23 H new ATOM 343 N LEU A 20 -13.315 -13.322 4.840 1.00 73.22 N ATOM 344 CA LEU A 20 -12.540 -12.293 4.158 1.00 10.22 C ATOM 345 C LEU A 20 -12.431 -12.579 2.681 1.00 65.33 C ATOM 346 O LEU A 20 -12.573 -11.682 1.872 1.00 30.50 O ATOM 347 CB LEU A 20 -11.147 -12.119 4.769 1.00 32.54 C ATOM 348 CG LEU A 20 -11.091 -11.424 6.129 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.675 -11.421 6.653 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.602 -9.991 6.012 1.00 23.21 C ATOM 0 H LEU A 20 -12.808 -13.816 5.574 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.080 -11.356 4.293 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.690 -13.104 4.868 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.534 -11.552 4.069 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.727 -11.971 6.825 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.647 -10.923 7.622 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.325 -12.448 6.762 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.029 -10.890 5.954 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.557 -9.508 6.988 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.982 -9.440 5.305 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.633 -10.000 5.659 1.00 23.21 H new ATOM 362 N ALA A 21 -12.232 -13.841 2.337 1.00 4.44 N ATOM 363 CA ALA A 21 -12.121 -14.247 0.951 1.00 14.42 C ATOM 364 C ALA A 21 -13.377 -13.879 0.175 1.00 35.03 C ATOM 365 O ALA A 21 -13.295 -13.241 -0.866 1.00 72.55 O ATOM 366 CB ALA A 21 -11.855 -15.732 0.851 1.00 1.41 C ATOM 0 H ALA A 21 -12.144 -14.605 3.007 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.279 -13.714 0.510 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.775 -16.017 -0.198 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -10.923 -15.970 1.364 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.675 -16.281 1.315 1.00 1.41 H new ATOM 372 N ALA A 22 -14.535 -14.229 0.709 1.00 4.14 N ATOM 373 CA ALA A 22 -15.795 -13.928 0.046 1.00 53.23 C ATOM 374 C ALA A 22 -16.066 -12.429 0.018 1.00 34.22 C ATOM 375 O ALA A 22 -16.467 -11.880 -1.012 1.00 30.41 O ATOM 376 CB ALA A 22 -16.937 -14.656 0.719 1.00 24.13 C ATOM 0 H ALA A 22 -14.630 -14.721 1.598 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.717 -14.273 -0.985 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.871 -14.418 0.209 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.761 -15.731 0.672 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.003 -14.344 1.761 1.00 24.13 H new ATOM 382 N LEU A 23 -15.805 -11.764 1.133 1.00 71.12 N ATOM 383 CA LEU A 23 -16.040 -10.331 1.259 1.00 42.20 C ATOM 384 C LEU A 23 -15.172 -9.547 0.272 1.00 63.22 C ATOM 385 O LEU A 23 -15.631 -8.590 -0.357 1.00 30.24 O ATOM 386 CB LEU A 23 -15.762 -9.876 2.699 1.00 60.54 C ATOM 387 CG LEU A 23 -16.018 -8.403 3.021 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.471 -8.042 2.766 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.647 -8.114 4.466 1.00 50.33 C ATOM 0 H LEU A 23 -15.426 -12.199 1.974 1.00 71.12 H new ATOM 0 HA LEU A 23 -17.085 -10.130 1.022 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.372 -10.481 3.370 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.720 -10.097 2.930 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.396 -7.792 2.367 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.631 -6.990 3.001 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.712 -8.220 1.718 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.114 -8.657 3.395 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.833 -7.063 4.686 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.250 -8.735 5.128 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.591 -8.336 4.622 1.00 50.33 H new ATOM 401 N LEU A 24 -13.947 -9.992 0.095 1.00 61.11 N ATOM 402 CA LEU A 24 -13.009 -9.321 -0.784 1.00 33.50 C ATOM 403 C LEU A 24 -13.106 -9.858 -2.212 1.00 13.04 C ATOM 404 O LEU A 24 -12.417 -9.357 -3.111 1.00 54.12 O ATOM 405 CB LEU A 24 -11.581 -9.487 -0.266 1.00 1.13 C ATOM 406 CG LEU A 24 -11.328 -9.062 1.186 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.878 -9.279 1.554 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.741 -7.620 1.429 1.00 43.42 C ATOM 0 H LEU A 24 -13.573 -10.824 0.552 1.00 61.11 H new ATOM 0 HA LEU A 24 -13.266 -8.262 -0.797 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.300 -10.535 -0.369 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.915 -8.914 -0.911 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.947 -9.688 1.829 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.715 -8.973 2.587 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.629 -10.335 1.445 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -9.243 -8.687 0.895 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.547 -7.356 2.469 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -11.169 -6.962 0.774 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.804 -7.506 1.219 1.00 43.42 H new ATOM 420 N GLU A 25 -13.990 -10.854 -2.418 1.00 45.33 N ATOM 421 CA GLU A 25 -14.213 -11.513 -3.725 1.00 22.43 C ATOM 422 C GLU A 25 -12.922 -12.166 -4.237 1.00 63.31 C ATOM 423 O GLU A 25 -12.643 -12.196 -5.452 1.00 72.53 O ATOM 424 CB GLU A 25 -14.747 -10.498 -4.738 1.00 34.10 C ATOM 425 CG GLU A 25 -16.035 -9.829 -4.306 1.00 74.02 C ATOM 426 CD GLU A 25 -16.423 -8.706 -5.214 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.773 -7.631 -5.147 1.00 54.24 O ATOM 428 OE2 GLU A 25 -17.356 -8.866 -6.020 1.00 73.13 O ATOM 0 H GLU A 25 -14.578 -11.230 -1.674 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.955 -12.301 -3.595 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.989 -9.733 -4.907 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.911 -11.001 -5.691 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.836 -10.568 -4.283 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.922 -9.450 -3.290 1.00 74.02 H new ATOM 435 N VAL A 26 -12.174 -12.740 -3.325 1.00 33.53 N ATOM 436 CA VAL A 26 -10.907 -13.360 -3.637 1.00 2.41 C ATOM 437 C VAL A 26 -10.914 -14.805 -3.159 1.00 32.32 C ATOM 438 O VAL A 26 -11.906 -15.278 -2.589 1.00 23.34 O ATOM 439 CB VAL A 26 -9.693 -12.603 -2.992 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.577 -11.187 -3.534 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.794 -12.583 -1.467 1.00 4.10 C ATOM 0 H VAL A 26 -12.429 -12.791 -2.339 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.783 -13.316 -4.719 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.790 -13.149 -3.264 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.727 -10.688 -3.069 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.431 -11.221 -4.614 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.490 -10.635 -3.309 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.938 -12.051 -1.053 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.713 -12.078 -1.170 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.803 -13.606 -1.090 1.00 4.10 H new ATOM 451 N SER A 27 -9.846 -15.499 -3.411 1.00 35.42 N ATOM 452 CA SER A 27 -9.707 -16.857 -2.985 1.00 0.14 C ATOM 453 C SER A 27 -9.103 -16.908 -1.580 1.00 54.44 C ATOM 454 O SER A 27 -8.392 -15.976 -1.160 1.00 24.14 O ATOM 455 CB SER A 27 -8.814 -17.586 -3.977 1.00 23.34 C ATOM 456 OG SER A 27 -9.307 -17.417 -5.302 1.00 1.11 O ATOM 0 H SER A 27 -9.041 -15.136 -3.922 1.00 35.42 H new ATOM 0 HA SER A 27 -10.684 -17.339 -2.950 1.00 0.14 H new ATOM 0 HB2 SER A 27 -7.795 -17.204 -3.909 1.00 23.34 H new ATOM 0 HB3 SER A 27 -8.774 -18.647 -3.729 1.00 23.34 H new ATOM 0 HG SER A 27 -8.723 -17.889 -5.931 1.00 1.11 H new ATOM 462 N ARG A 28 -9.405 -17.958 -0.843 1.00 33.45 N ATOM 463 CA ARG A 28 -8.843 -18.157 0.476 1.00 2.32 C ATOM 464 C ARG A 28 -7.333 -18.294 0.416 1.00 72.10 C ATOM 465 O ARG A 28 -6.638 -17.891 1.336 1.00 61.25 O ATOM 466 CB ARG A 28 -9.492 -19.330 1.203 1.00 73.14 C ATOM 467 CG ARG A 28 -10.949 -19.074 1.525 1.00 54.32 C ATOM 468 CD ARG A 28 -11.582 -20.212 2.286 1.00 53.33 C ATOM 469 NE ARG A 28 -11.610 -21.451 1.520 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.728 -21.994 1.011 1.00 13.43 C ATOM 471 NH1 ARG A 28 -13.896 -21.350 1.095 1.00 20.31 N ATOM 472 NH2 ARG A 28 -12.673 -23.150 0.388 1.00 44.34 N ATOM 0 H ARG A 28 -10.045 -18.694 -1.141 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.067 -17.265 1.062 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.411 -20.226 0.587 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -8.948 -19.528 2.127 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.033 -18.159 2.111 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.499 -18.911 0.598 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.032 -20.375 3.213 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.600 -19.937 2.563 1.00 53.33 H new ATOM 0 HE ARG A 28 -10.727 -21.936 1.361 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -13.944 -20.438 1.549 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -14.740 -21.771 0.705 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -11.781 -23.635 0.291 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.522 -23.562 0.002 1.00 44.34 H new ATOM 486 N GLN A 29 -6.833 -18.828 -0.694 1.00 63.51 N ATOM 487 CA GLN A 29 -5.399 -18.966 -0.929 1.00 73.10 C ATOM 488 C GLN A 29 -4.746 -17.580 -0.940 1.00 21.43 C ATOM 489 O GLN A 29 -3.631 -17.395 -0.425 1.00 63.01 O ATOM 490 CB GLN A 29 -5.177 -19.717 -2.270 1.00 14.11 C ATOM 491 CG GLN A 29 -3.748 -20.208 -2.552 1.00 34.33 C ATOM 492 CD GLN A 29 -2.758 -19.132 -2.979 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.113 -18.146 -3.620 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.515 -19.318 -2.614 1.00 24.53 N ATOM 0 H GLN A 29 -7.412 -19.178 -1.458 1.00 63.51 H new ATOM 0 HA GLN A 29 -4.934 -19.546 -0.131 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -5.845 -20.578 -2.293 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.478 -19.058 -3.084 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.365 -20.694 -1.654 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -3.791 -20.968 -3.332 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.259 -20.150 -2.082 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -0.803 -18.631 -2.861 1.00 24.53 H new ATOM 503 N THR A 30 -5.476 -16.613 -1.474 1.00 21.22 N ATOM 504 CA THR A 30 -5.014 -15.261 -1.597 1.00 0.23 C ATOM 505 C THR A 30 -4.896 -14.611 -0.202 1.00 24.14 C ATOM 506 O THR A 30 -3.837 -14.101 0.162 1.00 5.35 O ATOM 507 CB THR A 30 -6.039 -14.478 -2.436 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.426 -15.278 -3.573 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.473 -13.151 -2.914 1.00 50.43 C ATOM 0 H THR A 30 -6.418 -16.759 -1.836 1.00 21.22 H new ATOM 0 HA THR A 30 -4.034 -15.247 -2.074 1.00 0.23 H new ATOM 0 HB THR A 30 -6.905 -14.264 -1.810 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.081 -14.786 -4.112 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.225 -12.626 -3.503 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.196 -12.542 -2.053 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.591 -13.332 -3.529 1.00 50.43 H new ATOM 517 N ILE A 31 -5.973 -14.684 0.585 1.00 3.24 N ATOM 518 CA ILE A 31 -5.980 -14.087 1.926 1.00 15.23 C ATOM 519 C ILE A 31 -5.025 -14.819 2.883 1.00 54.43 C ATOM 520 O ILE A 31 -4.296 -14.183 3.651 1.00 12.25 O ATOM 521 CB ILE A 31 -7.436 -13.963 2.527 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.427 -13.362 3.945 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.176 -15.288 2.519 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.889 -11.949 4.016 1.00 15.23 C ATOM 0 H ILE A 31 -6.844 -15.145 0.322 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.606 -13.069 1.813 1.00 15.23 H new ATOM 0 HB ILE A 31 -7.974 -13.277 1.873 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.444 -13.372 4.338 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.828 -14.000 4.594 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.171 -15.151 2.942 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.263 -15.650 1.495 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.626 -16.016 3.115 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.917 -11.600 5.048 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.861 -11.933 3.655 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.501 -11.295 3.395 1.00 15.23 H new ATOM 536 N ASN A 32 -4.997 -16.134 2.796 1.00 30.33 N ATOM 537 CA ASN A 32 -4.113 -16.941 3.632 1.00 60.42 C ATOM 538 C ASN A 32 -2.660 -16.657 3.280 1.00 3.24 C ATOM 539 O ASN A 32 -1.788 -16.611 4.147 1.00 13.11 O ATOM 540 CB ASN A 32 -4.436 -18.430 3.524 1.00 64.50 C ATOM 541 CG ASN A 32 -3.714 -19.251 4.568 1.00 24.43 C ATOM 542 OD1 ASN A 32 -2.624 -19.789 4.333 1.00 33.15 O ATOM 543 ND2 ASN A 32 -4.289 -19.314 5.740 1.00 74.02 N ATOM 0 H ASN A 32 -5.577 -16.674 2.154 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.277 -16.661 4.673 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.511 -18.575 3.631 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.163 -18.788 2.531 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -3.839 -19.821 6.502 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -5.188 -18.857 5.892 1.00 74.02 H new ATOM 550 N GLY A 33 -2.413 -16.444 2.001 1.00 32.15 N ATOM 551 CA GLY A 33 -1.093 -16.082 1.542 1.00 62.40 C ATOM 552 C GLY A 33 -0.640 -14.753 2.126 1.00 51.22 C ATOM 553 O GLY A 33 0.566 -14.529 2.339 1.00 73.51 O ATOM 0 H GLY A 33 -3.114 -16.517 1.263 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.384 -16.862 1.820 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.090 -16.021 0.454 1.00 62.40 H new ATOM 557 N ILE A 34 -1.597 -13.856 2.349 1.00 55.13 N ATOM 558 CA ILE A 34 -1.337 -12.582 2.991 1.00 14.23 C ATOM 559 C ILE A 34 -1.043 -12.811 4.479 1.00 12.31 C ATOM 560 O ILE A 34 -0.132 -12.199 5.031 1.00 62.21 O ATOM 561 CB ILE A 34 -2.535 -11.590 2.818 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.808 -11.307 1.326 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.305 -10.283 3.578 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.630 -10.710 0.571 1.00 51.13 C ATOM 0 H ILE A 34 -2.573 -13.997 2.088 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.470 -12.128 2.511 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.415 -12.071 3.246 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.100 -12.238 0.840 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.656 -10.627 1.248 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.159 -9.622 3.432 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.188 -10.496 4.641 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.403 -9.798 3.204 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -1.911 -10.544 -0.469 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.349 -9.761 1.027 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.785 -11.397 0.613 1.00 51.13 H new ATOM 576 N GLU A 35 -1.792 -13.725 5.104 1.00 42.35 N ATOM 577 CA GLU A 35 -1.574 -14.108 6.519 1.00 14.13 C ATOM 578 C GLU A 35 -0.174 -14.639 6.728 1.00 62.12 C ATOM 579 O GLU A 35 0.437 -14.428 7.778 1.00 33.44 O ATOM 580 CB GLU A 35 -2.513 -15.235 6.936 1.00 72.22 C ATOM 581 CG GLU A 35 -3.977 -14.924 6.930 1.00 22.14 C ATOM 582 CD GLU A 35 -4.783 -16.130 7.355 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.440 -16.760 8.378 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.803 -16.428 6.725 1.00 14.03 O ATOM 0 H GLU A 35 -2.562 -14.221 4.656 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.751 -13.207 7.107 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.342 -16.083 6.273 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.237 -15.555 7.941 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.179 -14.090 7.603 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.283 -14.610 5.932 1.00 22.14 H new ATOM 591 N LYS A 36 0.321 -15.338 5.741 1.00 72.42 N ATOM 592 CA LYS A 36 1.628 -15.941 5.814 1.00 3.42 C ATOM 593 C LYS A 36 2.675 -15.076 5.141 1.00 64.33 C ATOM 594 O LYS A 36 3.800 -15.517 4.943 1.00 74.05 O ATOM 595 CB LYS A 36 1.597 -17.341 5.187 1.00 71.34 C ATOM 596 CG LYS A 36 0.655 -18.307 5.903 1.00 73.40 C ATOM 597 CD LYS A 36 1.055 -18.490 7.366 1.00 3.32 C ATOM 598 CE LYS A 36 2.421 -19.145 7.492 1.00 11.20 C ATOM 599 NZ LYS A 36 2.895 -19.169 8.879 1.00 30.21 N ATOM 0 H LYS A 36 -0.170 -15.506 4.863 1.00 72.42 H new ATOM 0 HA LYS A 36 1.903 -16.030 6.865 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.294 -17.257 4.143 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.605 -17.756 5.194 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.366 -17.931 5.847 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.667 -19.272 5.397 1.00 73.40 H new ATOM 0 HD2 LYS A 36 1.068 -17.521 7.865 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.309 -19.101 7.875 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.371 -20.164 7.109 1.00 11.20 H new ATOM 0 HE3 LYS A 36 3.139 -18.607 6.873 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.829 -19.624 8.919 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.968 -18.196 9.238 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 2.224 -19.704 9.466 1.00 30.21 H new ATOM 613 N ASN A 37 2.273 -13.843 4.779 1.00 21.34 N ATOM 614 CA ASN A 37 3.133 -12.803 4.126 1.00 41.10 C ATOM 615 C ASN A 37 3.924 -13.340 2.924 1.00 30.41 C ATOM 616 O ASN A 37 4.922 -12.750 2.513 1.00 2.25 O ATOM 617 CB ASN A 37 4.092 -12.076 5.137 1.00 42.23 C ATOM 618 CG ASN A 37 5.225 -12.940 5.722 1.00 63.02 C ATOM 619 OD1 ASN A 37 5.070 -13.565 6.775 1.00 64.43 O ATOM 620 ND2 ASN A 37 6.370 -12.941 5.075 1.00 15.22 N ATOM 0 H ASN A 37 1.317 -13.521 4.931 1.00 21.34 H new ATOM 0 HA ASN A 37 2.429 -12.062 3.748 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.537 -11.218 4.634 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.494 -11.687 5.961 1.00 42.23 H new ATOM 0 HD21 ASN A 37 7.162 -13.469 5.441 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.466 -12.414 4.207 1.00 15.22 H new ATOM 627 N LYS A 38 3.410 -14.355 2.275 1.00 23.05 N ATOM 628 CA LYS A 38 4.168 -15.020 1.241 1.00 71.21 C ATOM 629 C LYS A 38 3.596 -14.667 -0.119 1.00 63.12 C ATOM 630 O LYS A 38 4.283 -14.724 -1.146 1.00 54.40 O ATOM 631 CB LYS A 38 4.144 -16.537 1.471 1.00 54.41 C ATOM 632 CG LYS A 38 5.008 -17.343 0.506 1.00 51.33 C ATOM 633 CD LYS A 38 4.908 -18.835 0.780 1.00 14.11 C ATOM 634 CE LYS A 38 3.483 -19.337 0.605 1.00 53.22 C ATOM 635 NZ LYS A 38 3.363 -20.778 0.881 1.00 30.43 N ATOM 0 H LYS A 38 2.479 -14.737 2.441 1.00 23.05 H new ATOM 0 HA LYS A 38 5.205 -14.686 1.276 1.00 71.21 H new ATOM 0 HB2 LYS A 38 4.474 -16.741 2.490 1.00 54.41 H new ATOM 0 HB3 LYS A 38 3.114 -16.886 1.393 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.698 -17.139 -0.519 1.00 51.33 H new ATOM 0 HG3 LYS A 38 6.047 -17.025 0.594 1.00 51.33 H new ATOM 0 HD2 LYS A 38 5.571 -19.376 0.105 1.00 14.11 H new ATOM 0 HD3 LYS A 38 5.247 -19.044 1.795 1.00 14.11 H new ATOM 0 HE2 LYS A 38 2.821 -18.785 1.272 1.00 53.22 H new ATOM 0 HE3 LYS A 38 3.151 -19.135 -0.413 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 2.375 -21.076 0.749 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 3.975 -21.309 0.228 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 3.654 -20.969 1.861 1.00 30.43 H new ATOM 649 N TYR A 39 2.351 -14.251 -0.124 1.00 74.05 N ATOM 650 CA TYR A 39 1.659 -13.923 -1.352 1.00 12.53 C ATOM 651 C TYR A 39 2.026 -12.513 -1.831 1.00 13.41 C ATOM 652 O TYR A 39 1.698 -12.130 -2.951 1.00 2.12 O ATOM 653 CB TYR A 39 0.147 -14.021 -1.107 1.00 73.50 C ATOM 654 CG TYR A 39 -0.688 -13.994 -2.348 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.861 -15.141 -3.080 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.296 -12.827 -2.790 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.613 -15.143 -4.228 1.00 3.04 C ATOM 658 CE2 TYR A 39 -2.053 -12.816 -3.935 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.207 -13.979 -4.652 1.00 33.11 C ATOM 660 OH TYR A 39 -2.953 -13.977 -5.800 1.00 24.32 O ATOM 0 H TYR A 39 1.790 -14.130 0.719 1.00 74.05 H new ATOM 0 HA TYR A 39 1.958 -14.626 -2.130 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.061 -14.944 -0.565 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.157 -13.197 -0.462 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.398 -16.058 -2.747 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -1.172 -11.915 -2.225 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -1.737 -16.054 -4.795 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.523 -11.903 -4.269 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.305 -13.076 -5.960 1.00 24.32 H new ATOM 670 N ASN A 40 2.754 -11.776 -0.984 1.00 43.42 N ATOM 671 CA ASN A 40 3.088 -10.350 -1.216 1.00 41.25 C ATOM 672 C ASN A 40 1.860 -9.475 -1.032 1.00 40.41 C ATOM 673 O ASN A 40 0.861 -9.617 -1.755 1.00 21.44 O ATOM 674 CB ASN A 40 3.756 -10.070 -2.596 1.00 44.44 C ATOM 675 CG ASN A 40 3.898 -8.572 -2.899 1.00 2.30 C ATOM 676 OD1 ASN A 40 2.999 -7.946 -3.495 1.00 64.13 O ATOM 677 ND2 ASN A 40 5.012 -7.996 -2.522 1.00 53.45 N ATOM 0 H ASN A 40 3.134 -12.146 -0.112 1.00 43.42 H new ATOM 0 HA ASN A 40 3.836 -10.095 -0.465 1.00 41.25 H new ATOM 0 HB2 ASN A 40 4.742 -10.535 -2.618 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.165 -10.540 -3.382 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.165 -7.006 -2.714 1.00 53.45 H new ATOM 0 HD22 ASN A 40 5.727 -8.537 -2.036 1.00 53.45 H new ATOM 684 N PRO A 41 1.893 -8.578 -0.051 1.00 2.41 N ATOM 685 CA PRO A 41 0.793 -7.690 0.200 1.00 33.40 C ATOM 686 C PRO A 41 0.725 -6.559 -0.827 1.00 61.13 C ATOM 687 O PRO A 41 1.300 -5.492 -0.641 1.00 2.50 O ATOM 688 CB PRO A 41 1.045 -7.156 1.611 1.00 23.24 C ATOM 689 CG PRO A 41 2.521 -7.284 1.824 1.00 52.51 C ATOM 690 CD PRO A 41 3.019 -8.350 0.878 1.00 12.41 C ATOM 0 HA PRO A 41 -0.167 -8.199 0.118 1.00 33.40 H new ATOM 0 HB2 PRO A 41 0.723 -6.119 1.702 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.489 -7.729 2.353 1.00 23.24 H new ATOM 0 HG2 PRO A 41 3.021 -6.335 1.631 1.00 52.51 H new ATOM 0 HG3 PRO A 41 2.738 -7.555 2.857 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.912 -8.022 0.346 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.283 -9.263 1.412 1.00 12.41 H new ATOM 698 N SER A 42 0.108 -6.852 -1.950 1.00 32.11 N ATOM 699 CA SER A 42 -0.125 -5.871 -2.973 1.00 31.54 C ATOM 700 C SER A 42 -1.182 -4.888 -2.442 1.00 35.33 C ATOM 701 O SER A 42 -2.050 -5.293 -1.637 1.00 31.14 O ATOM 702 CB SER A 42 -0.578 -6.593 -4.231 1.00 33.24 C ATOM 703 OG SER A 42 0.364 -7.624 -4.565 1.00 63.24 O ATOM 0 H SER A 42 -0.245 -7.782 -2.175 1.00 32.11 H new ATOM 0 HA SER A 42 0.772 -5.305 -3.223 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.566 -7.026 -4.077 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.665 -5.886 -5.056 1.00 33.24 H new ATOM 0 HG SER A 42 1.194 -7.484 -4.063 1.00 63.24 H new ATOM 709 N LEU A 43 -1.137 -3.635 -2.884 1.00 41.22 N ATOM 710 CA LEU A 43 -1.933 -2.592 -2.254 1.00 3.42 C ATOM 711 C LEU A 43 -3.437 -2.840 -2.355 1.00 71.35 C ATOM 712 O LEU A 43 -4.122 -2.672 -1.367 1.00 31.14 O ATOM 713 CB LEU A 43 -1.495 -1.167 -2.720 1.00 34.44 C ATOM 714 CG LEU A 43 -2.021 0.080 -1.921 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.478 0.405 -2.233 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.824 -0.106 -0.397 1.00 44.53 C ATOM 0 H LEU A 43 -0.564 -3.321 -3.667 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.722 -2.637 -1.185 1.00 3.42 H new ATOM 0 HB2 LEU A 43 -0.406 -1.134 -2.705 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.804 -1.049 -3.759 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.423 0.929 -2.250 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.789 1.274 -1.654 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.583 0.621 -3.296 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -4.105 -0.448 -1.972 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.198 0.773 0.128 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.372 -0.988 -0.064 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.764 -0.235 -0.180 1.00 44.53 H new ATOM 728 N GLN A 44 -3.948 -3.281 -3.513 1.00 2.30 N ATOM 729 CA GLN A 44 -5.395 -3.546 -3.653 1.00 25.44 C ATOM 730 C GLN A 44 -5.866 -4.549 -2.607 1.00 14.52 C ATOM 731 O GLN A 44 -6.856 -4.317 -1.909 1.00 12.34 O ATOM 732 CB GLN A 44 -5.729 -4.100 -5.047 1.00 43.20 C ATOM 733 CG GLN A 44 -7.203 -4.443 -5.226 1.00 23.12 C ATOM 734 CD GLN A 44 -7.499 -5.176 -6.514 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.469 -6.415 -6.565 1.00 21.35 O ATOM 736 NE2 GLN A 44 -7.793 -4.447 -7.539 1.00 45.30 N ATOM 0 H GLN A 44 -3.398 -3.460 -4.353 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.908 -2.595 -3.510 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -5.441 -3.366 -5.800 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -5.131 -4.994 -5.227 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -7.530 -5.055 -4.385 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -7.788 -3.524 -5.198 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -7.807 -3.431 -7.455 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -8.012 -4.888 -8.432 1.00 45.30 H new ATOM 745 N LEU A 45 -5.137 -5.646 -2.503 1.00 33.52 N ATOM 746 CA LEU A 45 -5.472 -6.710 -1.576 1.00 33.42 C ATOM 747 C LEU A 45 -5.370 -6.230 -0.143 1.00 12.12 C ATOM 748 O LEU A 45 -6.305 -6.386 0.628 1.00 53.21 O ATOM 749 CB LEU A 45 -4.588 -7.970 -1.783 1.00 75.22 C ATOM 750 CG LEU A 45 -4.722 -8.741 -3.120 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.172 -9.092 -3.419 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.076 -7.999 -4.288 1.00 1.23 C ATOM 0 H LEU A 45 -4.299 -5.823 -3.057 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.504 -6.994 -1.783 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.546 -7.668 -1.674 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.804 -8.666 -0.973 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.172 -9.674 -2.998 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.228 -9.632 -4.364 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.567 -9.718 -2.619 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.761 -8.177 -3.488 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.198 -8.582 -5.201 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.554 -7.027 -4.411 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.014 -7.858 -4.087 1.00 1.23 H new ATOM 764 N ALA A 46 -4.267 -5.585 0.179 1.00 72.35 N ATOM 765 CA ALA A 46 -4.010 -5.116 1.533 1.00 41.10 C ATOM 766 C ALA A 46 -5.004 -4.037 1.958 1.00 44.34 C ATOM 767 O ALA A 46 -5.513 -4.052 3.084 1.00 24.52 O ATOM 768 CB ALA A 46 -2.584 -4.600 1.650 1.00 4.33 C ATOM 0 H ALA A 46 -3.523 -5.370 -0.485 1.00 72.35 H new ATOM 0 HA ALA A 46 -4.139 -5.963 2.206 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.405 -4.252 2.667 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.886 -5.403 1.413 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.438 -3.774 0.954 1.00 4.33 H new ATOM 774 N LEU A 47 -5.309 -3.129 1.046 1.00 33.43 N ATOM 775 CA LEU A 47 -6.181 -2.021 1.342 1.00 23.45 C ATOM 776 C LEU A 47 -7.614 -2.471 1.528 1.00 50.21 C ATOM 777 O LEU A 47 -8.284 -1.975 2.407 1.00 21.23 O ATOM 778 CB LEU A 47 -6.043 -0.896 0.276 1.00 32.41 C ATOM 779 CG LEU A 47 -6.813 0.436 0.498 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.302 0.325 0.156 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.631 0.922 1.935 1.00 70.53 C ATOM 0 H LEU A 47 -4.958 -3.145 0.088 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.867 -1.595 2.295 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.984 -0.655 0.184 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.361 -1.307 -0.682 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.386 1.167 -0.189 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.788 1.285 0.330 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.415 0.046 -0.892 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.764 -0.435 0.786 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -7.176 1.856 2.075 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.015 0.170 2.625 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.572 1.087 2.132 1.00 70.53 H new ATOM 793 N LYS A 48 -8.095 -3.414 0.735 1.00 52.33 N ATOM 794 CA LYS A 48 -9.479 -3.825 0.914 1.00 54.10 C ATOM 795 C LYS A 48 -9.701 -4.496 2.268 1.00 25.41 C ATOM 796 O LYS A 48 -10.735 -4.289 2.903 1.00 42.33 O ATOM 797 CB LYS A 48 -10.052 -4.622 -0.269 1.00 63.32 C ATOM 798 CG LYS A 48 -9.310 -5.890 -0.663 1.00 23.52 C ATOM 799 CD LYS A 48 -9.997 -6.545 -1.857 1.00 64.34 C ATOM 800 CE LYS A 48 -10.018 -5.610 -3.062 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.865 -6.123 -4.152 1.00 33.32 N ATOM 0 H LYS A 48 -7.579 -3.890 -0.005 1.00 52.33 H new ATOM 0 HA LYS A 48 -10.068 -2.908 0.922 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -11.081 -4.890 -0.032 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -10.086 -3.964 -1.137 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -8.276 -5.654 -0.912 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -9.285 -6.583 0.178 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -9.478 -7.467 -2.118 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -11.017 -6.819 -1.588 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.382 -4.630 -2.753 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -9.001 -5.471 -3.429 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.848 -5.455 -4.949 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.504 -7.046 -4.467 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.842 -6.231 -3.811 1.00 33.32 H new ATOM 815 N ILE A 49 -8.709 -5.245 2.728 1.00 54.11 N ATOM 816 CA ILE A 49 -8.765 -5.824 4.068 1.00 1.24 C ATOM 817 C ILE A 49 -8.819 -4.681 5.099 1.00 2.41 C ATOM 818 O ILE A 49 -9.647 -4.679 6.009 1.00 64.12 O ATOM 819 CB ILE A 49 -7.527 -6.699 4.382 1.00 62.52 C ATOM 820 CG1 ILE A 49 -7.265 -7.696 3.255 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.770 -7.453 5.683 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.976 -8.481 3.407 1.00 35.31 C ATOM 0 H ILE A 49 -7.863 -5.466 2.202 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.651 -6.457 4.118 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.654 -6.053 4.478 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -8.099 -8.396 3.203 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -7.240 -7.158 2.307 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.903 -8.072 5.912 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.931 -6.740 6.492 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.651 -8.087 5.577 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.866 -9.166 2.566 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -5.131 -7.793 3.428 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -6.004 -9.049 4.337 1.00 35.31 H new ATOM 834 N ALA A 50 -7.988 -3.673 4.862 1.00 44.20 N ATOM 835 CA ALA A 50 -7.853 -2.503 5.732 1.00 11.21 C ATOM 836 C ALA A 50 -9.138 -1.708 5.779 1.00 70.10 C ATOM 837 O ALA A 50 -9.526 -1.190 6.810 1.00 34.45 O ATOM 838 CB ALA A 50 -6.768 -1.604 5.193 1.00 53.40 C ATOM 0 H ALA A 50 -7.377 -3.642 4.046 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.610 -2.855 6.735 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.664 -0.732 5.838 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.824 -2.149 5.165 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -7.030 -1.281 4.185 1.00 53.40 H new ATOM 844 N TYR A 51 -9.764 -1.621 4.647 1.00 50.04 N ATOM 845 CA TYR A 51 -10.975 -0.881 4.432 1.00 11.22 C ATOM 846 C TYR A 51 -12.161 -1.552 5.139 1.00 40.54 C ATOM 847 O TYR A 51 -12.903 -0.898 5.876 1.00 51.22 O ATOM 848 CB TYR A 51 -11.171 -0.788 2.914 1.00 31.54 C ATOM 849 CG TYR A 51 -12.384 -0.067 2.404 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.487 1.312 2.462 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.400 -0.777 1.818 1.00 52.31 C ATOM 852 CE1 TYR A 51 -13.592 1.962 1.948 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.510 -0.143 1.288 1.00 14.05 C ATOM 854 CZ TYR A 51 -14.599 1.234 1.358 1.00 45.04 C ATOM 855 OH TYR A 51 -15.694 1.885 0.818 1.00 12.24 O ATOM 0 H TYR A 51 -9.430 -2.087 3.803 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.911 0.120 4.858 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.291 -0.301 2.493 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.194 -1.803 2.517 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -11.693 1.887 2.915 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.333 -1.854 1.769 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -13.665 3.038 2.009 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.298 -0.718 0.825 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.312 1.226 0.439 1.00 12.24 H new ATOM 865 N TYR A 52 -12.321 -2.851 4.949 1.00 52.41 N ATOM 866 CA TYR A 52 -13.420 -3.581 5.585 1.00 3.45 C ATOM 867 C TYR A 52 -13.211 -3.789 7.091 1.00 25.43 C ATOM 868 O TYR A 52 -14.177 -3.892 7.855 1.00 40.30 O ATOM 869 CB TYR A 52 -13.755 -4.881 4.846 1.00 51.32 C ATOM 870 CG TYR A 52 -14.396 -4.632 3.491 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.753 -4.360 3.390 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.650 -4.648 2.325 1.00 1.22 C ATOM 873 CE1 TYR A 52 -16.341 -4.107 2.170 1.00 72.42 C ATOM 874 CE2 TYR A 52 -14.229 -4.402 1.099 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.575 -4.129 1.027 1.00 75.33 C ATOM 876 OH TYR A 52 -16.157 -3.862 -0.195 1.00 10.50 O ATOM 0 H TYR A 52 -11.712 -3.424 4.365 1.00 52.41 H new ATOM 0 HA TYR A 52 -14.299 -2.942 5.500 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.844 -5.464 4.712 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -14.429 -5.480 5.459 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -16.359 -4.346 4.284 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.592 -4.858 2.377 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -17.398 -3.892 2.111 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.630 -4.423 0.201 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.478 -3.917 -0.900 1.00 10.50 H new ATOM 886 N LEU A 53 -11.962 -3.860 7.509 1.00 43.52 N ATOM 887 CA LEU A 53 -11.642 -3.957 8.935 1.00 35.04 C ATOM 888 C LEU A 53 -11.524 -2.567 9.558 1.00 52.42 C ATOM 889 O LEU A 53 -11.465 -2.427 10.784 1.00 34.31 O ATOM 890 CB LEU A 53 -10.359 -4.768 9.178 1.00 34.25 C ATOM 891 CG LEU A 53 -10.412 -6.252 8.787 1.00 75.05 C ATOM 892 CD1 LEU A 53 -9.078 -6.923 9.057 1.00 73.24 C ATOM 893 CD2 LEU A 53 -11.516 -6.965 9.546 1.00 30.33 C ATOM 0 H LEU A 53 -11.150 -3.853 6.891 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.463 -4.488 9.418 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.546 -4.297 8.626 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -10.106 -4.701 10.236 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.625 -6.314 7.720 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -9.135 -7.974 8.774 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -8.299 -6.432 8.474 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.840 -6.846 10.118 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -11.538 -8.015 9.255 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -11.329 -6.889 10.617 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -12.475 -6.504 9.311 1.00 30.33 H new ATOM 904 N ASN A 54 -11.533 -1.556 8.692 1.00 23.44 N ATOM 905 CA ASN A 54 -11.400 -0.126 9.038 1.00 34.54 C ATOM 906 C ASN A 54 -10.203 0.107 9.961 1.00 23.31 C ATOM 907 O ASN A 54 -10.347 0.392 11.154 1.00 53.04 O ATOM 908 CB ASN A 54 -12.711 0.462 9.626 1.00 0.13 C ATOM 909 CG ASN A 54 -12.672 1.987 9.789 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.281 2.512 10.830 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.098 2.698 8.773 1.00 61.11 N ATOM 0 H ASN A 54 -11.637 -1.707 7.689 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.212 0.415 8.111 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.545 0.194 8.977 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.903 0.005 10.597 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.111 3.716 8.833 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.416 2.233 7.923 1.00 61.11 H new ATOM 918 N THR A 55 -9.028 -0.098 9.434 1.00 45.02 N ATOM 919 CA THR A 55 -7.813 0.019 10.204 1.00 24.13 C ATOM 920 C THR A 55 -6.699 0.611 9.313 1.00 75.14 C ATOM 921 O THR A 55 -6.622 0.284 8.121 1.00 45.22 O ATOM 922 CB THR A 55 -7.399 -1.388 10.745 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.488 -1.954 11.505 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.181 -1.306 11.642 1.00 53.13 C ATOM 0 H THR A 55 -8.882 -0.352 8.457 1.00 45.02 H new ATOM 0 HA THR A 55 -7.973 0.683 11.053 1.00 24.13 H new ATOM 0 HB THR A 55 -7.159 -2.014 9.885 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.129 -2.540 12.204 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.924 -2.303 11.998 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.343 -0.894 11.080 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.399 -0.661 12.494 1.00 53.13 H new ATOM 932 N PRO A 56 -5.882 1.547 9.857 1.00 2.53 N ATOM 933 CA PRO A 56 -4.760 2.158 9.128 1.00 62.14 C ATOM 934 C PRO A 56 -3.731 1.128 8.652 1.00 22.43 C ATOM 935 O PRO A 56 -3.410 0.166 9.372 1.00 73.34 O ATOM 936 CB PRO A 56 -4.118 3.087 10.160 1.00 52.13 C ATOM 937 CG PRO A 56 -5.190 3.361 11.147 1.00 3.21 C ATOM 938 CD PRO A 56 -6.007 2.110 11.216 1.00 22.03 C ATOM 0 HA PRO A 56 -5.105 2.663 8.226 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.256 2.616 10.633 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.763 4.008 9.696 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.770 3.609 12.122 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -5.799 4.210 10.837 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.628 1.423 11.972 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -7.046 2.321 11.470 1.00 22.03 H new ATOM 946 N LEU A 57 -3.217 1.348 7.450 1.00 62.42 N ATOM 947 CA LEU A 57 -2.217 0.485 6.824 1.00 13.13 C ATOM 948 C LEU A 57 -1.001 0.288 7.701 1.00 71.12 C ATOM 949 O LEU A 57 -0.505 -0.823 7.810 1.00 53.41 O ATOM 950 CB LEU A 57 -1.778 1.046 5.468 1.00 34.12 C ATOM 951 CG LEU A 57 -2.856 1.125 4.396 1.00 42.20 C ATOM 952 CD1 LEU A 57 -2.279 1.674 3.109 1.00 35.04 C ATOM 953 CD2 LEU A 57 -3.460 -0.245 4.168 1.00 13.21 C ATOM 0 H LEU A 57 -3.486 2.143 6.871 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.694 -0.484 6.680 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.376 2.047 5.625 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.962 0.430 5.090 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.642 1.801 4.734 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -3.062 1.725 2.352 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.880 2.673 3.286 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -1.479 1.020 2.761 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -4.230 -0.180 3.400 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.682 -0.936 3.844 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -3.903 -0.606 5.096 1.00 13.21 H new ATOM 964 N GLU A 58 -0.556 1.360 8.348 1.00 41.15 N ATOM 965 CA GLU A 58 0.625 1.317 9.234 1.00 25.13 C ATOM 966 C GLU A 58 0.446 0.322 10.377 1.00 23.31 C ATOM 967 O GLU A 58 1.424 -0.271 10.865 1.00 41.22 O ATOM 968 CB GLU A 58 0.907 2.678 9.853 1.00 25.40 C ATOM 969 CG GLU A 58 1.146 3.805 8.881 1.00 63.30 C ATOM 970 CD GLU A 58 1.475 5.083 9.601 1.00 34.03 C ATOM 971 OE1 GLU A 58 0.758 5.456 10.545 1.00 53.22 O ATOM 972 OE2 GLU A 58 2.488 5.722 9.277 1.00 71.30 O ATOM 0 H GLU A 58 -0.992 2.280 8.281 1.00 41.15 H new ATOM 0 HA GLU A 58 1.457 1.008 8.601 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.066 2.947 10.492 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.781 2.588 10.498 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.963 3.542 8.209 1.00 63.30 H new ATOM 0 HG3 GLU A 58 0.260 3.950 8.263 1.00 63.30 H new ATOM 979 N ASP A 59 -0.776 0.202 10.848 1.00 34.01 N ATOM 980 CA ASP A 59 -1.095 -0.698 11.938 1.00 63.41 C ATOM 981 C ASP A 59 -1.060 -2.146 11.458 1.00 42.14 C ATOM 982 O ASP A 59 -0.501 -3.032 12.117 1.00 72.41 O ATOM 983 CB ASP A 59 -2.461 -0.334 12.539 1.00 22.41 C ATOM 984 CG ASP A 59 -2.798 -1.097 13.805 1.00 52.54 C ATOM 985 OD1 ASP A 59 -1.934 -1.201 14.698 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.955 -1.518 13.971 1.00 14.52 O ATOM 0 H ASP A 59 -1.575 0.723 10.488 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.345 -0.592 12.722 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.479 0.734 12.755 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.236 -0.522 11.796 1.00 22.41 H new ATOM 991 N ILE A 60 -1.635 -2.352 10.279 1.00 25.13 N ATOM 992 CA ILE A 60 -1.771 -3.667 9.663 1.00 73.13 C ATOM 993 C ILE A 60 -0.423 -4.205 9.164 1.00 51.12 C ATOM 994 O ILE A 60 -0.047 -5.342 9.444 1.00 44.15 O ATOM 995 CB ILE A 60 -2.809 -3.647 8.514 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.157 -3.164 9.056 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.951 -5.032 7.894 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.257 -3.104 8.028 1.00 50.54 C ATOM 0 H ILE A 60 -2.026 -1.598 9.715 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.133 -4.344 10.437 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.467 -2.963 7.737 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.468 -3.826 9.864 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.026 -2.172 9.489 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.685 -4.997 7.089 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.989 -5.352 7.494 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.281 -5.739 8.655 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.175 -2.752 8.498 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.972 -2.419 7.230 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.420 -4.098 7.612 1.00 50.54 H new ATOM 1010 N PHE A 61 0.266 -3.418 8.397 1.00 35.15 N ATOM 1011 CA PHE A 61 1.572 -3.797 7.942 1.00 22.52 C ATOM 1012 C PHE A 61 2.577 -2.790 8.403 1.00 61.31 C ATOM 1013 O PHE A 61 2.320 -1.589 8.382 1.00 64.35 O ATOM 1014 CB PHE A 61 1.617 -3.958 6.405 1.00 0.12 C ATOM 1015 CG PHE A 61 0.798 -5.110 5.896 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.249 -6.413 6.047 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.415 -4.894 5.266 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.503 -7.477 5.582 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.165 -5.955 4.799 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.706 -7.246 4.958 1.00 22.32 C ATOM 0 H PHE A 61 -0.054 -2.506 8.071 1.00 35.15 H new ATOM 0 HA PHE A 61 1.816 -4.769 8.372 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.262 -3.038 5.941 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.652 -4.093 6.093 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.195 -6.597 6.534 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.779 -3.885 5.138 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.864 -8.487 5.706 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.111 -5.774 4.309 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.293 -8.076 4.594 1.00 22.32 H new ATOM 1030 N GLN A 62 3.714 -3.256 8.801 1.00 72.24 N ATOM 1031 CA GLN A 62 4.738 -2.377 9.242 1.00 2.15 C ATOM 1032 C GLN A 62 5.925 -2.549 8.354 1.00 41.21 C ATOM 1033 O GLN A 62 6.333 -3.670 8.059 1.00 54.12 O ATOM 1034 CB GLN A 62 5.114 -2.624 10.701 1.00 43.12 C ATOM 1035 CG GLN A 62 6.006 -1.530 11.278 1.00 54.21 C ATOM 1036 CD GLN A 62 6.441 -1.799 12.694 1.00 62.30 C ATOM 1037 OE1 GLN A 62 5.750 -2.470 13.456 1.00 51.34 O ATOM 1038 NE2 GLN A 62 7.556 -1.250 13.078 1.00 41.41 N ATOM 0 H GLN A 62 3.955 -4.247 8.829 1.00 72.24 H new ATOM 0 HA GLN A 62 4.372 -1.352 9.185 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.205 -2.697 11.298 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.626 -3.583 10.782 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.889 -1.422 10.649 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.472 -0.580 11.244 1.00 54.21 H new ATOM 0 HE21 GLN A 62 8.106 -0.699 12.420 1.00 41.41 H new ATOM 0 HE22 GLN A 62 7.880 -1.371 14.038 1.00 41.41 H new ATOM 1047 N TRP A 63 6.448 -1.474 7.905 1.00 13.44 N ATOM 1048 CA TRP A 63 7.572 -1.497 7.045 1.00 61.35 C ATOM 1049 C TRP A 63 8.794 -0.975 7.737 1.00 61.52 C ATOM 1050 O TRP A 63 8.777 0.103 8.332 1.00 24.43 O ATOM 1051 CB TRP A 63 7.285 -0.761 5.731 1.00 14.01 C ATOM 1052 CG TRP A 63 6.586 0.571 5.873 1.00 34.23 C ATOM 1053 CD1 TRP A 63 7.158 1.805 5.971 1.00 3.21 C ATOM 1054 CD2 TRP A 63 5.163 0.785 5.896 1.00 53.32 C ATOM 1055 NE1 TRP A 63 6.179 2.771 6.061 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.947 2.167 6.012 1.00 74.31 C ATOM 1057 CE3 TRP A 63 4.053 -0.069 5.827 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.662 2.720 6.057 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.786 0.477 5.868 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.597 1.854 5.981 1.00 31.53 C ATOM 0 H TRP A 63 6.105 -0.539 8.125 1.00 13.44 H new ATOM 0 HA TRP A 63 7.776 -2.535 6.784 1.00 61.35 H new ATOM 0 HB2 TRP A 63 8.229 -0.603 5.209 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.675 -1.406 5.099 1.00 14.01 H new ATOM 0 HD1 TRP A 63 8.221 1.997 5.977 1.00 3.21 H new ATOM 0 HE1 TRP A 63 6.343 3.774 6.150 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.187 -1.137 5.743 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 3.513 3.786 6.148 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.926 -0.174 5.812 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.592 2.249 6.009 1.00 31.53 H new ATOM 1071 N GLN A 64 9.818 -1.773 7.727 1.00 35.50 N ATOM 1072 CA GLN A 64 11.087 -1.411 8.279 1.00 11.44 C ATOM 1073 C GLN A 64 12.154 -1.575 7.227 1.00 30.22 C ATOM 1074 O GLN A 64 12.659 -2.676 7.021 1.00 33.31 O ATOM 1075 CB GLN A 64 11.436 -2.259 9.516 1.00 44.22 C ATOM 1076 CG GLN A 64 10.566 -2.002 10.738 1.00 32.13 C ATOM 1077 CD GLN A 64 10.763 -0.613 11.337 1.00 24.43 C ATOM 1078 OE1 GLN A 64 11.071 0.359 10.638 1.00 13.50 O ATOM 1079 NE2 GLN A 64 10.632 -0.510 12.625 1.00 53.21 N ATOM 0 H GLN A 64 9.794 -2.711 7.328 1.00 35.50 H new ATOM 0 HA GLN A 64 11.033 -0.370 8.599 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.359 -3.313 9.249 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.476 -2.073 9.784 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.519 -2.126 10.463 1.00 32.13 H new ATOM 0 HG3 GLN A 64 10.787 -2.752 11.497 1.00 32.13 H new ATOM 0 HE21 GLN A 64 10.377 -1.328 13.179 1.00 53.21 H new ATOM 0 HE22 GLN A 64 10.784 0.389 13.083 1.00 53.21 H new ATOM 1088 N PRO A 65 12.452 -0.508 6.475 1.00 63.05 N ATOM 1089 CA PRO A 65 13.528 -0.527 5.479 1.00 13.14 C ATOM 1090 C PRO A 65 14.878 -0.539 6.180 1.00 44.11 C ATOM 1091 O PRO A 65 15.880 -1.017 5.640 1.00 4.41 O ATOM 1092 CB PRO A 65 13.329 0.789 4.703 1.00 11.15 C ATOM 1093 CG PRO A 65 11.961 1.252 5.078 1.00 34.32 C ATOM 1094 CD PRO A 65 11.749 0.782 6.482 1.00 62.43 C ATOM 0 HA PRO A 65 13.503 -1.403 4.830 1.00 13.14 H new ATOM 0 HB2 PRO A 65 14.084 1.526 4.975 1.00 11.15 H new ATOM 0 HB3 PRO A 65 13.412 0.630 3.628 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.882 2.337 5.012 1.00 34.32 H new ATOM 0 HG3 PRO A 65 11.209 0.836 4.408 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.169 1.473 7.213 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.691 0.670 6.721 1.00 62.43 H new ATOM 1102 N GLU A 66 14.864 -0.035 7.387 1.00 22.55 N ATOM 1103 CA GLU A 66 16.009 0.028 8.240 1.00 60.44 C ATOM 1104 C GLU A 66 15.997 -1.233 9.098 1.00 3.22 C ATOM 1105 O GLU A 66 16.669 -2.220 8.746 1.00 11.44 O ATOM 1106 CB GLU A 66 15.890 1.258 9.150 1.00 14.51 C ATOM 1107 CG GLU A 66 15.658 2.583 8.433 1.00 33.32 C ATOM 1108 CD GLU A 66 16.867 3.107 7.707 1.00 75.24 C ATOM 1109 OE1 GLU A 66 17.654 3.859 8.332 1.00 31.01 O ATOM 1110 OE2 GLU A 66 17.037 2.820 6.502 1.00 24.43 O ATOM 1111 OXT GLU A 66 15.238 -1.262 10.102 1.00 0.00 O ATOM 0 H GLU A 66 14.023 0.355 7.812 1.00 22.55 H new ATOM 0 HA GLU A 66 16.929 0.100 7.660 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.069 1.094 9.848 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.801 1.340 9.742 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.844 2.460 7.719 1.00 33.32 H new ATOM 0 HG3 GLU A 66 15.334 3.326 9.161 1.00 33.32 H new TER 1118 GLU A 66 ATOM 1119 N MET B 67 -10.710 1.826 -8.591 1.00 4.52 N ATOM 1120 CA MET B 67 -10.405 3.193 -8.987 1.00 15.43 C ATOM 1121 C MET B 67 -9.355 3.768 -8.083 1.00 54.41 C ATOM 1122 O MET B 67 -9.592 4.000 -6.898 1.00 33.23 O ATOM 1123 CB MET B 67 -11.653 4.078 -9.006 1.00 32.24 C ATOM 1124 CG MET B 67 -12.625 3.716 -10.105 1.00 0.23 C ATOM 1125 SD MET B 67 -11.890 3.889 -11.739 1.00 54.32 S ATOM 1126 CE MET B 67 -13.215 3.269 -12.767 1.00 74.51 C ATOM 0 HA MET B 67 -10.020 3.166 -10.007 1.00 15.43 H new ATOM 0 HB2 MET B 67 -12.159 4.002 -8.043 1.00 32.24 H new ATOM 0 HB3 MET B 67 -11.351 5.118 -9.126 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.963 2.689 -9.966 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.506 4.354 -10.034 1.00 0.23 H new ATOM 0 HE1 MET B 67 -12.913 3.311 -13.814 1.00 74.51 H new ATOM 0 HE2 MET B 67 -13.435 2.237 -12.494 1.00 74.51 H new ATOM 0 HE3 MET B 67 -14.105 3.881 -12.621 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.191 3.942 -8.616 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.091 4.505 -7.886 1.00 32.41 C ATOM 1140 C ILE B 68 -6.792 5.872 -8.459 1.00 45.13 C ATOM 1141 O ILE B 68 -6.634 6.020 -9.667 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.811 3.604 -7.966 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.086 2.192 -7.398 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.621 4.252 -7.245 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -6.524 2.169 -5.940 1.00 54.01 C ATOM 0 H ILE B 68 -7.969 3.696 -9.581 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.369 4.576 -6.834 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.551 3.504 -9.020 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.857 1.715 -8.003 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.183 1.591 -7.502 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.751 3.600 -7.321 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.395 5.213 -7.707 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.871 4.404 -6.195 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.694 1.139 -5.627 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.746 2.613 -5.319 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -7.446 2.739 -5.828 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.730 6.852 -7.603 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.438 8.215 -7.985 1.00 25.12 C ATOM 1159 C ILE B 69 -5.124 8.545 -7.313 1.00 13.31 C ATOM 1160 O ILE B 69 -4.976 8.300 -6.117 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.545 9.246 -7.499 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -8.935 9.004 -8.150 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.108 10.690 -7.737 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.690 7.784 -7.650 1.00 2.41 C ATOM 0 H ILE B 69 -6.883 6.730 -6.602 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.406 8.296 -9.071 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.652 9.075 -6.428 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -9.553 9.886 -7.982 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -8.800 8.909 -9.227 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -7.889 11.368 -7.393 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.188 10.887 -7.187 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -6.935 10.847 -8.802 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.645 7.709 -8.169 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.101 6.887 -7.843 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.866 7.879 -6.578 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.175 9.045 -8.036 1.00 20.22 N ATOM 1177 CA ASN B 70 -2.890 9.301 -7.450 1.00 24.23 C ATOM 1178 C ASN B 70 -2.635 10.788 -7.356 1.00 32.00 C ATOM 1179 O ASN B 70 -2.976 11.556 -8.270 1.00 60.31 O ATOM 1180 CB ASN B 70 -1.782 8.572 -8.216 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.415 8.743 -7.582 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.285 8.962 -6.387 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.604 8.599 -8.356 1.00 33.01 N ATOM 0 H ASN B 70 -4.258 9.284 -9.024 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.886 8.906 -6.434 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.022 7.510 -8.269 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -1.751 8.943 -9.240 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.548 8.667 -7.975 1.00 33.01 H new ATOM 0 HD22 ASN B 70 0.468 8.417 -9.350 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.069 11.190 -6.247 1.00 65.43 N ATOM 1191 CA ASN B 71 -1.818 12.584 -5.961 1.00 54.20 C ATOM 1192 C ASN B 71 -0.340 12.784 -5.710 1.00 74.31 C ATOM 1193 O ASN B 71 0.050 13.769 -5.117 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.589 13.023 -4.701 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.063 12.692 -4.735 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.876 13.461 -5.229 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.423 11.551 -4.193 1.00 62.53 N ATOM 0 H ASN B 71 -1.766 10.555 -5.509 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.147 13.178 -6.814 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.140 12.547 -3.829 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.472 14.099 -4.572 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.407 11.283 -4.175 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -3.719 10.933 -3.790 1.00 62.53 H new ATOM 1204 N LEU B 72 0.474 11.847 -6.193 1.00 31.42 N ATOM 1205 CA LEU B 72 1.934 11.853 -5.996 1.00 41.12 C ATOM 1206 C LEU B 72 2.516 13.219 -6.371 1.00 32.41 C ATOM 1207 O LEU B 72 3.211 13.844 -5.566 1.00 15.34 O ATOM 1208 CB LEU B 72 2.579 10.739 -6.865 1.00 22.14 C ATOM 1209 CG LEU B 72 4.007 10.230 -6.502 1.00 2.34 C ATOM 1210 CD1 LEU B 72 5.084 11.303 -6.601 1.00 11.20 C ATOM 1211 CD2 LEU B 72 4.008 9.602 -5.132 1.00 33.32 C ATOM 0 H LEU B 72 0.141 11.052 -6.738 1.00 31.42 H new ATOM 0 HA LEU B 72 2.153 11.662 -4.945 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.909 9.879 -6.849 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.610 11.100 -7.893 1.00 22.14 H new ATOM 0 HG LEU B 72 4.262 9.479 -7.250 1.00 2.34 H new ATOM 0 HD11 LEU B 72 6.050 10.875 -6.334 1.00 11.20 H new ATOM 0 HD12 LEU B 72 5.126 11.684 -7.621 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.848 12.119 -5.918 1.00 11.20 H new ATOM 0 HD21 LEU B 72 5.012 9.252 -4.893 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.696 10.340 -4.393 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.317 8.759 -5.117 1.00 33.32 H new ATOM 1223 N LYS B 73 2.210 13.683 -7.567 1.00 14.34 N ATOM 1224 CA LYS B 73 2.724 14.956 -8.033 1.00 42.10 C ATOM 1225 C LYS B 73 2.149 16.143 -7.267 1.00 53.11 C ATOM 1226 O LYS B 73 2.852 17.126 -7.031 1.00 74.22 O ATOM 1227 CB LYS B 73 2.717 15.095 -9.555 1.00 5.41 C ATOM 1228 CG LYS B 73 1.377 15.050 -10.235 1.00 35.52 C ATOM 1229 CD LYS B 73 1.453 14.427 -11.646 1.00 25.45 C ATOM 1230 CE LYS B 73 2.344 15.173 -12.666 1.00 12.21 C ATOM 1231 NZ LYS B 73 3.795 15.148 -12.350 1.00 61.12 N ATOM 0 H LYS B 73 1.609 13.198 -8.233 1.00 14.34 H new ATOM 0 HA LYS B 73 3.785 14.969 -7.785 1.00 42.10 H new ATOM 0 HB2 LYS B 73 3.196 16.040 -9.812 1.00 5.41 H new ATOM 0 HB3 LYS B 73 3.336 14.300 -9.971 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.682 14.475 -9.624 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.976 16.061 -10.308 1.00 35.52 H new ATOM 0 HD2 LYS B 73 1.820 13.405 -11.552 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.443 14.367 -12.051 1.00 25.45 H new ATOM 0 HE2 LYS B 73 2.192 14.734 -13.652 1.00 12.21 H new ATOM 0 HE3 LYS B 73 2.016 16.211 -12.726 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 4.343 15.203 -13.232 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 4.032 15.959 -11.744 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 4.027 14.265 -11.853 1.00 61.12 H new ATOM 1245 N LEU B 74 0.861 16.075 -6.923 1.00 3.54 N ATOM 1246 CA LEU B 74 0.235 17.066 -6.046 1.00 24.22 C ATOM 1247 C LEU B 74 0.994 17.138 -4.699 1.00 33.32 C ATOM 1248 O LEU B 74 1.278 18.220 -4.182 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.231 16.692 -5.807 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.040 17.639 -4.929 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.079 19.030 -5.533 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -3.439 17.102 -4.752 1.00 34.11 C ATOM 0 H LEU B 74 0.229 15.340 -7.240 1.00 3.54 H new ATOM 0 HA LEU B 74 0.279 18.045 -6.524 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.726 16.618 -6.775 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.261 15.700 -5.357 1.00 15.15 H new ATOM 0 HG LEU B 74 -1.559 17.708 -3.953 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.662 19.690 -4.890 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.064 19.416 -5.624 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -2.540 18.985 -6.520 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -4.013 17.783 -4.124 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -3.921 17.014 -5.726 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -3.395 16.121 -4.279 1.00 34.11 H new ATOM 1264 N ILE B 75 1.321 15.967 -4.159 1.00 72.34 N ATOM 1265 CA ILE B 75 2.153 15.821 -2.959 1.00 55.53 C ATOM 1266 C ILE B 75 3.535 16.456 -3.184 1.00 3.21 C ATOM 1267 O ILE B 75 4.133 17.033 -2.269 1.00 40.20 O ATOM 1268 CB ILE B 75 2.242 14.315 -2.456 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.088 13.970 -1.485 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.585 13.980 -1.810 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.307 14.131 -2.042 1.00 1.24 C ATOM 0 H ILE B 75 1.012 15.075 -4.546 1.00 72.34 H new ATOM 0 HA ILE B 75 1.668 16.365 -2.148 1.00 55.53 H new ATOM 0 HB ILE B 75 2.148 13.700 -3.351 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.211 12.938 -1.156 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.181 14.600 -0.601 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.584 12.939 -1.487 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.385 14.135 -2.533 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.745 14.627 -0.947 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.037 13.863 -1.278 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.461 15.167 -2.343 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.431 13.479 -2.907 1.00 1.24 H new ATOM 1283 N ARG B 76 4.038 16.330 -4.398 1.00 23.44 N ATOM 1284 CA ARG B 76 5.307 16.940 -4.765 1.00 2.23 C ATOM 1285 C ARG B 76 5.254 18.447 -4.633 1.00 61.23 C ATOM 1286 O ARG B 76 6.253 19.052 -4.312 1.00 0.10 O ATOM 1287 CB ARG B 76 5.776 16.539 -6.167 1.00 24.15 C ATOM 1288 CG ARG B 76 6.010 15.046 -6.383 1.00 71.12 C ATOM 1289 CD ARG B 76 7.089 14.476 -5.469 1.00 32.20 C ATOM 1290 NE ARG B 76 6.687 14.424 -4.039 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.349 15.025 -3.028 1.00 4.20 C ATOM 1292 NH1 ARG B 76 8.382 15.813 -3.298 1.00 64.25 N ATOM 1293 NH2 ARG B 76 6.934 14.884 -1.762 1.00 51.23 N ATOM 0 H ARG B 76 3.587 15.809 -5.150 1.00 23.44 H new ATOM 0 HA ARG B 76 6.043 16.555 -4.060 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.035 16.881 -6.890 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.703 17.069 -6.386 1.00 24.15 H new ATOM 0 HG2 ARG B 76 5.077 14.509 -6.214 1.00 71.12 H new ATOM 0 HG3 ARG B 76 6.293 14.874 -7.422 1.00 71.12 H new ATOM 0 HD2 ARG B 76 7.344 13.470 -5.804 1.00 32.20 H new ATOM 0 HD3 ARG B 76 7.991 15.081 -5.563 1.00 32.20 H new ATOM 0 HE ARG B 76 5.848 13.894 -3.804 1.00 64.13 H new ATOM 0 HH11 ARG B 76 8.671 15.961 -4.265 1.00 64.25 H new ATOM 0 HH12 ARG B 76 8.887 16.270 -2.539 1.00 64.25 H new ATOM 0 HH21 ARG B 76 6.111 14.318 -1.555 1.00 51.23 H new ATOM 0 HH22 ARG B 76 7.441 15.342 -1.005 1.00 51.23 H new ATOM 1307 N GLU B 77 4.087 19.042 -4.917 1.00 3.43 N ATOM 1308 CA GLU B 77 3.866 20.475 -4.716 1.00 32.25 C ATOM 1309 C GLU B 77 3.793 20.844 -3.233 1.00 23.22 C ATOM 1310 O GLU B 77 4.136 21.973 -2.844 1.00 24.24 O ATOM 1311 CB GLU B 77 2.609 20.959 -5.434 1.00 73.21 C ATOM 1312 CG GLU B 77 2.667 20.816 -6.938 1.00 31.54 C ATOM 1313 CD GLU B 77 3.894 21.464 -7.534 1.00 75.21 C ATOM 1314 OE1 GLU B 77 4.232 22.613 -7.163 1.00 52.20 O ATOM 1315 OE2 GLU B 77 4.528 20.846 -8.403 1.00 73.43 O ATOM 0 H GLU B 77 3.278 18.545 -5.289 1.00 3.43 H new ATOM 0 HA GLU B 77 4.730 20.979 -5.150 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.751 20.401 -5.059 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.441 22.007 -5.185 1.00 73.21 H new ATOM 0 HG2 GLU B 77 2.655 19.758 -7.200 1.00 31.54 H new ATOM 0 HG3 GLU B 77 1.775 21.263 -7.377 1.00 31.54 H new ATOM 1322 N LYS B 78 3.238 19.932 -2.425 1.00 12.34 N ATOM 1323 CA LYS B 78 3.170 20.116 -0.963 1.00 0.30 C ATOM 1324 C LYS B 78 4.574 20.291 -0.386 1.00 41.03 C ATOM 1325 O LYS B 78 4.804 21.103 0.514 1.00 70.21 O ATOM 1326 CB LYS B 78 2.476 18.924 -0.292 1.00 31.15 C ATOM 1327 CG LYS B 78 1.114 18.564 -0.878 1.00 63.14 C ATOM 1328 CD LYS B 78 0.156 19.740 -0.866 1.00 63.03 C ATOM 1329 CE LYS B 78 -1.209 19.338 -1.394 1.00 13.30 C ATOM 1330 NZ LYS B 78 -2.168 20.461 -1.379 1.00 22.43 N ATOM 0 H LYS B 78 2.829 19.058 -2.755 1.00 12.34 H new ATOM 0 HA LYS B 78 2.586 21.014 -0.762 1.00 0.30 H new ATOM 0 HB2 LYS B 78 3.128 18.054 -0.364 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.353 19.143 0.769 1.00 31.15 H new ATOM 0 HG2 LYS B 78 1.242 18.213 -1.902 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.682 17.740 -0.310 1.00 63.14 H new ATOM 0 HD2 LYS B 78 0.058 20.123 0.150 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.561 20.549 -1.474 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -1.106 18.964 -2.413 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -1.602 18.519 -0.792 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -3.085 20.139 -1.748 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -2.288 20.802 -0.404 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.807 21.234 -1.974 1.00 22.43 H new ATOM 1344 N LYS B 79 5.503 19.558 -0.926 1.00 11.23 N ATOM 1345 CA LYS B 79 6.912 19.715 -0.606 1.00 71.54 C ATOM 1346 C LYS B 79 7.482 20.444 -1.811 1.00 62.41 C ATOM 1347 O LYS B 79 6.720 21.063 -2.523 1.00 22.21 O ATOM 1348 CB LYS B 79 7.556 18.332 -0.441 1.00 24.24 C ATOM 1349 CG LYS B 79 6.867 17.450 0.602 1.00 24.13 C ATOM 1350 CD LYS B 79 6.920 18.061 1.999 1.00 4.22 C ATOM 1351 CE LYS B 79 6.202 17.191 3.035 1.00 44.25 C ATOM 1352 NZ LYS B 79 6.745 15.811 3.095 1.00 54.41 N ATOM 0 H LYS B 79 5.313 18.824 -1.609 1.00 11.23 H new ATOM 0 HA LYS B 79 7.091 20.258 0.322 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.543 17.819 -1.403 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.602 18.460 -0.161 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.827 17.295 0.314 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.343 16.470 0.618 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.960 18.195 2.297 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.464 19.051 1.979 1.00 4.22 H new ATOM 0 HE2 LYS B 79 6.290 17.655 4.017 1.00 44.25 H new ATOM 0 HE3 LYS B 79 5.139 17.149 2.796 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 6.334 15.311 3.909 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 6.503 15.304 2.219 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 7.779 15.849 3.199 1.00 54.41 H new ATOM 1366 N LYS B 80 8.761 20.495 -2.040 1.00 71.43 N ATOM 1367 CA LYS B 80 9.199 20.990 -3.324 1.00 32.42 C ATOM 1368 C LYS B 80 10.394 20.201 -3.796 1.00 13.24 C ATOM 1369 O LYS B 80 11.534 20.663 -3.811 1.00 5.54 O ATOM 1370 CB LYS B 80 9.405 22.521 -3.341 1.00 73.24 C ATOM 1371 CG LYS B 80 10.300 23.072 -2.242 1.00 40.21 C ATOM 1372 CD LYS B 80 10.283 24.590 -2.230 1.00 43.22 C ATOM 1373 CE LYS B 80 8.896 25.135 -1.905 1.00 70.42 C ATOM 1374 NZ LYS B 80 8.874 26.610 -1.872 1.00 23.43 N ATOM 0 H LYS B 80 9.496 20.215 -1.391 1.00 71.43 H new ATOM 0 HA LYS B 80 8.401 20.830 -4.049 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.828 22.803 -4.305 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.430 23.002 -3.267 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.968 22.694 -1.275 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.320 22.718 -2.389 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.000 24.956 -1.495 1.00 43.22 H new ATOM 0 HD3 LYS B 80 10.603 24.965 -3.202 1.00 43.22 H new ATOM 0 HE2 LYS B 80 8.183 24.779 -2.649 1.00 70.42 H new ATOM 0 HE3 LYS B 80 8.571 24.746 -0.940 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 7.913 26.938 -1.648 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 9.535 26.951 -1.145 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 9.159 26.982 -2.800 1.00 23.43 H new ATOM 1388 N ILE B 81 10.104 18.970 -4.106 1.00 13.13 N ATOM 1389 CA ILE B 81 11.059 17.981 -4.529 1.00 43.54 C ATOM 1390 C ILE B 81 10.443 17.292 -5.727 1.00 51.30 C ATOM 1391 O ILE B 81 9.254 16.955 -5.683 1.00 65.41 O ATOM 1392 CB ILE B 81 11.298 16.931 -3.385 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.885 17.599 -2.128 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.176 15.779 -3.848 1.00 62.43 C ATOM 1395 CD1 ILE B 81 12.073 16.659 -0.954 1.00 1.24 C ATOM 0 H ILE B 81 9.150 18.610 -4.070 1.00 13.13 H new ATOM 0 HA ILE B 81 12.019 18.437 -4.770 1.00 43.54 H new ATOM 0 HB ILE B 81 10.325 16.515 -3.124 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.848 18.042 -2.382 1.00 24.32 H new ATOM 0 HG13 ILE B 81 11.229 18.415 -1.824 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.316 15.076 -3.027 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.697 15.270 -4.684 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.145 16.165 -4.165 1.00 62.43 H new ATOM 0 HD11 ILE B 81 12.490 17.209 -0.111 1.00 1.24 H new ATOM 0 HD12 ILE B 81 11.110 16.235 -0.670 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.754 15.856 -1.236 1.00 1.24 H new ATOM 1407 N SER B 82 11.216 17.048 -6.740 1.00 2.42 N ATOM 1408 CA SER B 82 10.687 16.512 -7.958 1.00 41.31 C ATOM 1409 C SER B 82 11.171 15.069 -8.211 1.00 13.21 C ATOM 1410 O SER B 82 11.772 14.429 -7.320 1.00 35.13 O ATOM 1411 CB SER B 82 11.014 17.452 -9.115 1.00 43.33 C ATOM 1412 OG SER B 82 10.486 18.754 -8.870 1.00 71.34 O ATOM 0 H SER B 82 12.223 17.213 -6.748 1.00 2.42 H new ATOM 0 HA SER B 82 9.602 16.446 -7.872 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.094 17.511 -9.248 1.00 43.33 H new ATOM 0 HB3 SER B 82 10.600 17.054 -10.042 1.00 43.33 H new ATOM 0 HG SER B 82 10.707 19.343 -9.621 1.00 71.34 H new ATOM 1418 N GLN B 83 10.941 14.596 -9.429 1.00 45.12 N ATOM 1419 CA GLN B 83 11.144 13.205 -9.803 1.00 65.34 C ATOM 1420 C GLN B 83 12.600 12.740 -9.721 1.00 13.44 C ATOM 1421 O GLN B 83 12.853 11.613 -9.308 1.00 12.11 O ATOM 1422 CB GLN B 83 10.558 12.922 -11.192 1.00 30.22 C ATOM 1423 CG GLN B 83 11.140 13.788 -12.295 1.00 4.43 C ATOM 1424 CD GLN B 83 10.526 13.542 -13.656 1.00 53.31 C ATOM 1425 OE1 GLN B 83 10.087 12.340 -13.916 1.00 72.33 O flip ATOM 1426 NE2 GLN B 83 10.443 14.455 -14.474 1.00 45.23 N flip ATOM 0 H GLN B 83 10.603 15.178 -10.196 1.00 45.12 H new ATOM 0 HA GLN B 83 10.606 12.619 -9.058 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.726 11.874 -11.440 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.479 13.072 -11.157 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.004 14.837 -12.030 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.214 13.611 -12.354 1.00 4.43 H new ATOM 0 HE21 GLN B 83 10.796 15.383 -14.240 1.00 45.23 H new ATOM 0 HE22 GLN B 83 10.021 14.285 -15.387 1.00 45.23 H new ATOM 1435 N SER B 84 13.558 13.592 -10.087 1.00 55.44 N ATOM 1436 CA SER B 84 14.956 13.181 -10.113 1.00 52.11 C ATOM 1437 C SER B 84 15.488 12.871 -8.706 1.00 62.21 C ATOM 1438 O SER B 84 16.214 11.882 -8.513 1.00 10.02 O ATOM 1439 CB SER B 84 15.801 14.243 -10.812 1.00 45.03 C ATOM 1440 OG SER B 84 15.256 14.544 -12.099 1.00 21.34 O ATOM 0 H SER B 84 13.392 14.559 -10.366 1.00 55.44 H new ATOM 0 HA SER B 84 15.027 12.254 -10.682 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.836 15.147 -10.204 1.00 45.03 H new ATOM 0 HB3 SER B 84 16.827 13.890 -10.918 1.00 45.03 H new ATOM 0 HG SER B 84 15.797 15.239 -12.529 1.00 21.34 H new ATOM 1446 N GLU B 85 15.113 13.702 -7.726 1.00 50.43 N ATOM 1447 CA GLU B 85 15.497 13.468 -6.338 1.00 3.23 C ATOM 1448 C GLU B 85 14.936 12.141 -5.867 1.00 41.23 C ATOM 1449 O GLU B 85 15.648 11.324 -5.290 1.00 11.14 O ATOM 1450 CB GLU B 85 14.965 14.569 -5.428 1.00 33.34 C ATOM 1451 CG GLU B 85 15.455 15.966 -5.740 1.00 42.23 C ATOM 1452 CD GLU B 85 16.938 16.121 -5.586 1.00 44.10 C ATOM 1453 OE1 GLU B 85 17.414 16.271 -4.437 1.00 64.25 O ATOM 1454 OE2 GLU B 85 17.646 16.132 -6.599 1.00 70.32 O ATOM 0 H GLU B 85 14.547 14.538 -7.872 1.00 50.43 H new ATOM 0 HA GLU B 85 16.586 13.460 -6.290 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.876 14.565 -5.480 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.236 14.329 -4.400 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.174 16.223 -6.761 1.00 42.23 H new ATOM 0 HG3 GLU B 85 14.952 16.675 -5.083 1.00 42.23 H new ATOM 1461 N LEU B 86 13.654 11.920 -6.156 1.00 73.22 N ATOM 1462 CA LEU B 86 12.973 10.699 -5.755 1.00 10.22 C ATOM 1463 C LEU B 86 13.606 9.485 -6.378 1.00 65.33 C ATOM 1464 O LEU B 86 13.785 8.473 -5.714 1.00 30.50 O ATOM 1465 CB LEU B 86 11.492 10.746 -6.099 1.00 32.54 C ATOM 1466 CG LEU B 86 10.680 11.806 -5.376 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.228 11.697 -5.763 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.842 11.669 -3.874 1.00 23.21 C ATOM 0 H LEU B 86 13.067 12.578 -6.669 1.00 73.22 H new ATOM 0 HA LEU B 86 13.073 10.624 -4.672 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.392 10.908 -7.172 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.057 9.771 -5.882 1.00 32.54 H new ATOM 0 HG LEU B 86 11.048 12.789 -5.670 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.654 12.461 -5.239 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.126 11.840 -6.839 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.852 10.711 -5.491 1.00 52.52 H new ATOM 0 HD21 LEU B 86 10.253 12.437 -3.373 1.00 23.21 H new ATOM 0 HD22 LEU B 86 10.497 10.684 -3.559 1.00 23.21 H new ATOM 0 HD23 LEU B 86 11.893 11.787 -3.609 1.00 23.21 H new ATOM 1480 N ALA B 87 13.974 9.607 -7.640 1.00 4.44 N ATOM 1481 CA ALA B 87 14.611 8.535 -8.359 1.00 14.42 C ATOM 1482 C ALA B 87 15.896 8.124 -7.662 1.00 35.03 C ATOM 1483 O ALA B 87 16.133 6.949 -7.450 1.00 72.55 O ATOM 1484 CB ALA B 87 14.877 8.941 -9.797 1.00 1.41 C ATOM 0 H ALA B 87 13.837 10.455 -8.190 1.00 4.44 H new ATOM 0 HA ALA B 87 13.940 7.676 -8.372 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.359 8.118 -10.324 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.934 9.183 -10.287 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.529 9.814 -9.814 1.00 1.41 H new ATOM 1490 N ALA B 88 16.698 9.098 -7.271 1.00 4.14 N ATOM 1491 CA ALA B 88 17.939 8.831 -6.562 1.00 53.23 C ATOM 1492 C ALA B 88 17.685 8.284 -5.145 1.00 34.22 C ATOM 1493 O ALA B 88 18.380 7.371 -4.693 1.00 30.41 O ATOM 1494 CB ALA B 88 18.793 10.088 -6.507 1.00 24.13 C ATOM 0 H ALA B 88 16.511 10.088 -7.433 1.00 4.14 H new ATOM 0 HA ALA B 88 18.477 8.060 -7.114 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.720 9.875 -5.974 1.00 24.13 H new ATOM 0 HB2 ALA B 88 19.025 10.415 -7.521 1.00 24.13 H new ATOM 0 HB3 ALA B 88 18.248 10.876 -5.987 1.00 24.13 H new ATOM 1500 N LEU B 89 16.692 8.839 -4.458 1.00 71.12 N ATOM 1501 CA LEU B 89 16.340 8.405 -3.092 1.00 42.20 C ATOM 1502 C LEU B 89 15.850 6.958 -3.056 1.00 63.22 C ATOM 1503 O LEU B 89 16.164 6.211 -2.132 1.00 30.24 O ATOM 1504 CB LEU B 89 15.263 9.320 -2.478 1.00 60.54 C ATOM 1505 CG LEU B 89 15.656 10.782 -2.231 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.467 11.565 -1.699 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.823 10.868 -1.258 1.00 50.33 C ATOM 0 H LEU B 89 16.109 9.594 -4.818 1.00 71.12 H new ATOM 0 HA LEU B 89 17.254 8.474 -2.503 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.393 9.308 -3.135 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.951 8.887 -1.528 1.00 60.54 H new ATOM 0 HG LEU B 89 15.967 11.219 -3.180 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.760 12.601 -1.528 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.655 11.533 -2.426 1.00 60.14 H new ATOM 0 HD13 LEU B 89 14.131 11.124 -0.761 1.00 60.14 H new ATOM 0 HD21 LEU B 89 17.086 11.913 -1.097 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.539 10.414 -0.308 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.681 10.338 -1.671 1.00 50.33 H new ATOM 1519 N LEU B 90 15.088 6.572 -4.057 1.00 61.11 N ATOM 1520 CA LEU B 90 14.509 5.231 -4.119 1.00 33.50 C ATOM 1521 C LEU B 90 15.405 4.294 -4.920 1.00 13.04 C ATOM 1522 O LEU B 90 15.100 3.101 -5.063 1.00 54.12 O ATOM 1523 CB LEU B 90 13.135 5.297 -4.786 1.00 1.13 C ATOM 1524 CG LEU B 90 12.139 6.301 -4.201 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.853 6.288 -4.995 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.869 6.017 -2.734 1.00 43.42 C ATOM 0 H LEU B 90 14.849 7.168 -4.849 1.00 61.11 H new ATOM 0 HA LEU B 90 14.415 4.849 -3.102 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.279 5.534 -5.840 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.686 4.305 -4.741 1.00 1.13 H new ATOM 0 HG LEU B 90 12.580 7.295 -4.269 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.154 7.007 -4.567 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.062 6.557 -6.030 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.414 5.291 -4.961 1.00 24.05 H new ATOM 0 HD21 LEU B 90 11.158 6.747 -2.347 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.454 5.015 -2.628 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.801 6.085 -2.173 1.00 43.42 H new ATOM 1538 N GLU B 91 16.502 4.848 -5.429 1.00 45.33 N ATOM 1539 CA GLU B 91 17.454 4.155 -6.292 1.00 22.43 C ATOM 1540 C GLU B 91 16.778 3.495 -7.492 1.00 63.31 C ATOM 1541 O GLU B 91 16.970 2.299 -7.781 1.00 72.53 O ATOM 1542 CB GLU B 91 18.341 3.189 -5.513 1.00 34.10 C ATOM 1543 CG GLU B 91 19.244 3.890 -4.518 1.00 74.02 C ATOM 1544 CD GLU B 91 20.176 2.947 -3.831 1.00 63.23 C ATOM 1545 OE1 GLU B 91 21.270 2.674 -4.369 1.00 54.24 O ATOM 1546 OE2 GLU B 91 19.836 2.441 -2.748 1.00 73.13 O ATOM 0 H GLU B 91 16.760 5.818 -5.248 1.00 45.33 H new ATOM 0 HA GLU B 91 18.117 4.918 -6.700 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.712 2.473 -4.984 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.953 2.620 -6.213 1.00 34.10 H new ATOM 0 HG2 GLU B 91 19.822 4.656 -5.034 1.00 74.02 H new ATOM 0 HG3 GLU B 91 18.633 4.399 -3.773 1.00 74.02 H new ATOM 1553 N VAL B 92 16.008 4.282 -8.190 1.00 33.53 N ATOM 1554 CA VAL B 92 15.275 3.858 -9.361 1.00 2.41 C ATOM 1555 C VAL B 92 15.463 4.899 -10.444 1.00 32.32 C ATOM 1556 O VAL B 92 16.142 5.902 -10.228 1.00 23.34 O ATOM 1557 CB VAL B 92 13.737 3.690 -9.080 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.468 2.558 -8.107 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.117 4.990 -8.565 1.00 4.10 C ATOM 0 H VAL B 92 15.866 5.265 -7.957 1.00 33.53 H new ATOM 0 HA VAL B 92 15.661 2.885 -9.666 1.00 2.41 H new ATOM 0 HB VAL B 92 13.267 3.440 -10.031 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.395 2.472 -7.937 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.846 1.624 -8.522 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.970 2.764 -7.162 1.00 12.32 H new ATOM 0 HG21 VAL B 92 12.053 4.838 -8.381 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.607 5.284 -7.637 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.248 5.775 -9.309 1.00 4.10 H new ATOM 1569 N SER B 93 14.900 4.670 -11.583 1.00 35.42 N ATOM 1570 CA SER B 93 14.937 5.633 -12.638 1.00 0.14 C ATOM 1571 C SER B 93 13.650 6.483 -12.580 1.00 54.44 C ATOM 1572 O SER B 93 12.625 6.041 -12.016 1.00 24.14 O ATOM 1573 CB SER B 93 15.067 4.904 -13.969 1.00 23.34 C ATOM 1574 OG SER B 93 16.206 4.038 -13.949 1.00 1.11 O ATOM 0 H SER B 93 14.400 3.810 -11.811 1.00 35.42 H new ATOM 0 HA SER B 93 15.793 6.299 -12.530 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.164 4.325 -14.165 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.164 5.626 -14.780 1.00 23.34 H new ATOM 0 HG SER B 93 16.279 3.573 -14.809 1.00 1.11 H new ATOM 1580 N ARG B 94 13.692 7.682 -13.144 1.00 33.45 N ATOM 1581 CA ARG B 94 12.551 8.605 -13.138 1.00 2.32 C ATOM 1582 C ARG B 94 11.337 8.026 -13.830 1.00 72.10 C ATOM 1583 O ARG B 94 10.213 8.371 -13.488 1.00 61.25 O ATOM 1584 CB ARG B 94 12.897 9.945 -13.738 1.00 73.14 C ATOM 1585 CG ARG B 94 13.941 10.701 -12.971 1.00 54.32 C ATOM 1586 CD ARG B 94 14.208 12.041 -13.597 1.00 53.33 C ATOM 1587 NE ARG B 94 14.722 11.948 -14.964 1.00 21.14 N ATOM 1588 CZ ARG B 94 15.691 12.735 -15.438 1.00 13.43 C ATOM 1589 NH1 ARG B 94 16.281 13.619 -14.629 1.00 20.31 N ATOM 1590 NH2 ARG B 94 16.064 12.633 -16.709 1.00 44.34 N ATOM 0 H ARG B 94 14.516 8.048 -13.621 1.00 33.45 H new ATOM 0 HA ARG B 94 12.301 8.756 -12.088 1.00 2.32 H new ATOM 0 HB2 ARG B 94 13.247 9.796 -14.759 1.00 73.14 H new ATOM 0 HB3 ARG B 94 11.993 10.551 -13.796 1.00 73.14 H new ATOM 0 HG2 ARG B 94 13.613 10.837 -11.941 1.00 54.32 H new ATOM 0 HG3 ARG B 94 14.863 10.121 -12.938 1.00 54.32 H new ATOM 0 HD2 ARG B 94 13.286 12.623 -13.601 1.00 53.33 H new ATOM 0 HD3 ARG B 94 14.925 12.585 -12.983 1.00 53.33 H new ATOM 0 HE ARG B 94 14.320 11.247 -15.586 1.00 21.14 H new ATOM 0 HH11 ARG B 94 15.991 13.691 -13.654 1.00 20.31 H new ATOM 0 HH12 ARG B 94 17.022 14.222 -14.986 1.00 20.31 H new ATOM 0 HH21 ARG B 94 15.610 11.954 -17.321 1.00 44.34 H new ATOM 0 HH22 ARG B 94 16.804 13.233 -17.073 1.00 44.34 H new ATOM 1604 N GLN B 95 11.571 7.144 -14.780 1.00 63.51 N ATOM 1605 CA GLN B 95 10.509 6.441 -15.483 1.00 73.10 C ATOM 1606 C GLN B 95 9.641 5.658 -14.493 1.00 21.43 C ATOM 1607 O GLN B 95 8.425 5.559 -14.662 1.00 63.01 O ATOM 1608 CB GLN B 95 11.128 5.470 -16.485 1.00 14.11 C ATOM 1609 CG GLN B 95 10.127 4.576 -17.198 1.00 34.33 C ATOM 1610 CD GLN B 95 10.806 3.493 -17.995 1.00 13.43 C ATOM 1611 OE1 GLN B 95 11.912 3.043 -17.645 1.00 35.21 O ATOM 1612 NE2 GLN B 95 10.157 3.022 -19.011 1.00 24.53 N ATOM 0 H GLN B 95 12.509 6.891 -15.091 1.00 63.51 H new ATOM 0 HA GLN B 95 9.885 7.169 -16.002 1.00 73.10 H new ATOM 0 HB2 GLN B 95 11.681 6.041 -17.231 1.00 14.11 H new ATOM 0 HB3 GLN B 95 11.850 4.842 -15.964 1.00 14.11 H new ATOM 0 HG2 GLN B 95 9.459 4.123 -16.465 1.00 34.33 H new ATOM 0 HG3 GLN B 95 9.509 5.181 -17.861 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.252 3.418 -19.266 1.00 24.53 H new ATOM 0 HE22 GLN B 95 10.550 2.255 -19.556 1.00 24.53 H new ATOM 1621 N THR B 96 10.260 5.141 -13.446 1.00 21.22 N ATOM 1622 CA THR B 96 9.548 4.377 -12.470 1.00 0.23 C ATOM 1623 C THR B 96 8.636 5.313 -11.646 1.00 24.14 C ATOM 1624 O THR B 96 7.432 5.097 -11.574 1.00 5.35 O ATOM 1625 CB THR B 96 10.543 3.646 -11.542 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.503 2.916 -12.337 1.00 40.00 O ATOM 1627 CG2 THR B 96 9.822 2.676 -10.624 1.00 50.43 C ATOM 0 H THR B 96 11.258 5.244 -13.261 1.00 21.22 H new ATOM 0 HA THR B 96 8.932 3.632 -12.974 1.00 0.23 H new ATOM 0 HB THR B 96 11.050 4.394 -10.933 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.134 2.455 -11.746 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.547 2.176 -9.982 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.107 3.221 -10.008 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.294 1.934 -11.222 1.00 50.43 H new ATOM 1635 N ILE B 97 9.210 6.391 -11.097 1.00 3.24 N ATOM 1636 CA ILE B 97 8.433 7.343 -10.296 1.00 15.23 C ATOM 1637 C ILE B 97 7.355 8.067 -11.132 1.00 54.43 C ATOM 1638 O ILE B 97 6.196 8.138 -10.717 1.00 12.25 O ATOM 1639 CB ILE B 97 9.343 8.358 -9.494 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.506 9.350 -8.676 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.328 9.096 -10.381 1.00 12.10 C ATOM 1642 CD1 ILE B 97 7.669 8.703 -7.597 1.00 15.23 C ATOM 0 H ILE B 97 10.199 6.624 -11.191 1.00 3.24 H new ATOM 0 HA ILE B 97 7.908 6.748 -9.548 1.00 15.23 H new ATOM 0 HB ILE B 97 9.927 7.750 -8.803 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.173 10.080 -8.216 1.00 13.20 H new ATOM 0 HG13 ILE B 97 7.849 9.899 -9.351 1.00 13.20 H new ATOM 0 HG21 ILE B 97 10.924 9.778 -9.774 1.00 12.10 H new ATOM 0 HG22 ILE B 97 10.985 8.378 -10.871 1.00 12.10 H new ATOM 0 HG23 ILE B 97 9.784 9.664 -11.136 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.107 9.470 -7.064 1.00 15.23 H new ATOM 0 HD12 ILE B 97 6.976 7.994 -8.050 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.320 8.178 -6.898 1.00 15.23 H new ATOM 1654 N ASN B 98 7.724 8.522 -12.326 1.00 30.33 N ATOM 1655 CA ASN B 98 6.788 9.214 -13.229 1.00 60.42 C ATOM 1656 C ASN B 98 5.663 8.270 -13.623 1.00 3.24 C ATOM 1657 O ASN B 98 4.489 8.657 -13.699 1.00 13.11 O ATOM 1658 CB ASN B 98 7.505 9.695 -14.498 1.00 64.50 C ATOM 1659 CG ASN B 98 6.592 10.464 -15.448 1.00 24.43 C ATOM 1660 OD1 ASN B 98 5.675 11.172 -15.023 1.00 33.15 O ATOM 1661 ND2 ASN B 98 6.819 10.314 -16.729 1.00 74.02 N ATOM 0 H ASN B 98 8.669 8.427 -12.699 1.00 30.33 H new ATOM 0 HA ASN B 98 6.384 10.079 -12.703 1.00 60.42 H new ATOM 0 HB2 ASN B 98 8.343 10.332 -14.215 1.00 64.50 H new ATOM 0 HB3 ASN B 98 7.921 8.834 -15.021 1.00 64.50 H new ATOM 0 HD21 ASN B 98 6.229 10.790 -17.411 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.586 9.721 -17.045 1.00 74.02 H new ATOM 1668 N GLY B 99 6.027 7.023 -13.858 1.00 32.15 N ATOM 1669 CA GLY B 99 5.068 6.017 -14.197 1.00 62.40 C ATOM 1670 C GLY B 99 4.073 5.784 -13.077 1.00 51.22 C ATOM 1671 O GLY B 99 2.890 5.516 -13.330 1.00 73.51 O ATOM 0 H GLY B 99 6.991 6.692 -13.817 1.00 32.15 H new ATOM 0 HA2 GLY B 99 4.535 6.313 -15.100 1.00 62.40 H new ATOM 0 HA3 GLY B 99 5.585 5.084 -14.423 1.00 62.40 H new ATOM 1675 N ILE B 100 4.545 5.861 -11.843 1.00 55.13 N ATOM 1676 CA ILE B 100 3.681 5.740 -10.684 1.00 14.23 C ATOM 1677 C ILE B 100 2.791 6.980 -10.562 1.00 12.31 C ATOM 1678 O ILE B 100 1.588 6.854 -10.335 1.00 62.21 O ATOM 1679 CB ILE B 100 4.490 5.527 -9.358 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.372 4.262 -9.435 1.00 21.05 C ATOM 1681 CG2 ILE B 100 3.565 5.460 -8.141 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.616 2.972 -9.711 1.00 51.13 C ATOM 0 H ILE B 100 5.529 6.008 -11.619 1.00 55.13 H new ATOM 0 HA ILE B 100 3.062 4.855 -10.832 1.00 14.23 H new ATOM 0 HB ILE B 100 5.143 6.392 -9.239 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.118 4.404 -10.217 1.00 21.05 H new ATOM 0 HG13 ILE B 100 5.913 4.155 -8.494 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.160 5.312 -7.240 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.006 6.392 -8.057 1.00 62.42 H new ATOM 0 HG23 ILE B 100 2.870 4.629 -8.258 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.318 2.139 -9.747 1.00 51.13 H new ATOM 0 HD12 ILE B 100 3.889 2.799 -8.917 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.098 3.051 -10.667 1.00 51.13 H new ATOM 1694 N GLU B 101 3.377 8.175 -10.769 1.00 42.35 N ATOM 1695 CA GLU B 101 2.625 9.448 -10.680 1.00 14.13 C ATOM 1696 C GLU B 101 1.457 9.473 -11.641 1.00 62.12 C ATOM 1697 O GLU B 101 0.367 9.950 -11.303 1.00 33.44 O ATOM 1698 CB GLU B 101 3.507 10.631 -11.057 1.00 72.22 C ATOM 1699 CG GLU B 101 4.656 10.931 -10.136 1.00 22.14 C ATOM 1700 CD GLU B 101 5.445 12.109 -10.640 1.00 2.35 C ATOM 1701 OE1 GLU B 101 4.845 13.174 -10.903 1.00 12.42 O ATOM 1702 OE2 GLU B 101 6.670 12.009 -10.795 1.00 14.03 O ATOM 0 H GLU B 101 4.364 8.289 -10.998 1.00 42.35 H new ATOM 0 HA GLU B 101 2.281 9.520 -9.648 1.00 14.13 H new ATOM 0 HB2 GLU B 101 3.907 10.454 -12.055 1.00 72.22 H new ATOM 0 HB3 GLU B 101 2.878 11.519 -11.119 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.281 11.139 -9.134 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.305 10.058 -10.059 1.00 22.14 H new ATOM 1709 N LYS B 102 1.656 8.909 -12.794 1.00 72.42 N ATOM 1710 CA LYS B 102 0.636 8.902 -13.802 1.00 3.42 C ATOM 1711 C LYS B 102 -0.138 7.599 -13.799 1.00 64.33 C ATOM 1712 O LYS B 102 -0.963 7.351 -14.692 1.00 74.05 O ATOM 1713 CB LYS B 102 1.256 9.194 -15.152 1.00 71.34 C ATOM 1714 CG LYS B 102 1.917 10.561 -15.185 1.00 73.40 C ATOM 1715 CD LYS B 102 2.431 10.891 -16.547 1.00 3.32 C ATOM 1716 CE LYS B 102 3.080 12.264 -16.572 1.00 11.20 C ATOM 1717 NZ LYS B 102 3.444 12.672 -17.943 1.00 30.21 N ATOM 0 H LYS B 102 2.523 8.444 -13.063 1.00 72.42 H new ATOM 0 HA LYS B 102 -0.087 9.687 -13.581 1.00 3.42 H new ATOM 0 HB2 LYS B 102 1.995 8.427 -15.386 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.488 9.143 -15.924 1.00 71.34 H new ATOM 0 HG2 LYS B 102 1.200 11.320 -14.873 1.00 73.40 H new ATOM 0 HG3 LYS B 102 2.739 10.585 -14.470 1.00 73.40 H new ATOM 0 HD2 LYS B 102 3.155 10.138 -16.857 1.00 3.32 H new ATOM 0 HD3 LYS B 102 1.612 10.860 -17.265 1.00 3.32 H new ATOM 0 HE2 LYS B 102 2.397 12.997 -16.144 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.972 12.256 -15.946 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 3.884 13.614 -17.920 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.116 11.986 -18.343 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 2.589 12.704 -18.534 1.00 30.21 H new ATOM 1731 N ASN B 103 0.126 6.780 -12.747 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.500 5.454 -12.505 1.00 41.10 C ATOM 1733 C ASN B 103 -0.563 4.620 -13.771 1.00 30.41 C ATOM 1734 O ASN B 103 -1.515 3.874 -14.007 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.894 5.569 -11.797 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.946 6.383 -12.549 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.065 7.594 -12.361 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.709 5.739 -13.394 1.00 15.22 N ATOM 0 H ASN B 103 0.800 7.032 -12.024 1.00 21.34 H new ATOM 0 HA ASN B 103 0.150 4.923 -11.809 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -2.284 4.564 -11.635 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.747 6.016 -10.814 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.426 6.240 -13.918 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.587 4.735 -13.529 1.00 15.22 H new ATOM 1745 N LYS B 104 0.505 4.691 -14.533 1.00 23.05 N ATOM 1746 CA LYS B 104 0.579 4.072 -15.832 1.00 71.21 C ATOM 1747 C LYS B 104 1.642 2.957 -15.843 1.00 63.12 C ATOM 1748 O LYS B 104 1.770 2.206 -16.811 1.00 54.40 O ATOM 1749 CB LYS B 104 0.929 5.164 -16.851 1.00 54.41 C ATOM 1750 CG LYS B 104 0.805 4.768 -18.305 1.00 51.33 C ATOM 1751 CD LYS B 104 1.212 5.916 -19.197 1.00 14.11 C ATOM 1752 CE LYS B 104 1.021 5.581 -20.657 1.00 53.22 C ATOM 1753 NZ LYS B 104 1.445 6.694 -21.517 1.00 30.43 N ATOM 0 H LYS B 104 1.355 5.186 -14.263 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.376 3.612 -16.086 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.283 6.023 -16.671 1.00 54.41 H new ATOM 0 HB3 LYS B 104 1.953 5.491 -16.669 1.00 54.41 H new ATOM 0 HG2 LYS B 104 1.433 3.901 -18.508 1.00 51.33 H new ATOM 0 HG3 LYS B 104 -0.222 4.476 -18.523 1.00 51.33 H new ATOM 0 HD2 LYS B 104 0.624 6.799 -18.946 1.00 14.11 H new ATOM 0 HD3 LYS B 104 2.257 6.167 -19.014 1.00 14.11 H new ATOM 0 HE2 LYS B 104 1.593 4.687 -20.906 1.00 53.22 H new ATOM 0 HE3 LYS B 104 -0.028 5.351 -20.846 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 1.303 6.436 -22.514 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 0.881 7.539 -21.294 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 2.452 6.896 -21.352 1.00 30.43 H new ATOM 1767 N TYR B 105 2.400 2.852 -14.774 1.00 74.05 N ATOM 1768 CA TYR B 105 3.467 1.858 -14.702 1.00 12.53 C ATOM 1769 C TYR B 105 3.049 0.712 -13.781 1.00 13.41 C ATOM 1770 O TYR B 105 3.828 -0.214 -13.537 1.00 2.12 O ATOM 1771 CB TYR B 105 4.724 2.547 -14.153 1.00 73.50 C ATOM 1772 CG TYR B 105 6.043 1.899 -14.502 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.524 1.977 -15.797 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.824 1.244 -13.545 1.00 33.20 C ATOM 1775 CE1 TYR B 105 7.733 1.428 -16.146 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.041 0.685 -13.895 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.487 0.782 -15.199 1.00 33.11 C ATOM 1778 OH TYR B 105 9.707 0.242 -15.557 1.00 24.32 O ATOM 0 H TYR B 105 2.305 3.436 -13.943 1.00 74.05 H new ATOM 0 HA TYR B 105 3.668 1.446 -15.691 1.00 12.53 H new ATOM 0 HB2 TYR B 105 4.739 3.574 -14.518 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.642 2.595 -13.067 1.00 73.50 H new ATOM 0 HD1 TYR B 105 5.936 2.481 -16.550 1.00 62.14 H new ATOM 0 HD2 TYR B 105 6.475 1.174 -12.525 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.089 1.504 -17.163 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.638 0.176 -13.153 1.00 1.32 H new ATOM 0 HH TYR B 105 10.120 -0.181 -14.775 1.00 24.32 H new ATOM 1788 N ASN B 106 1.783 0.761 -13.334 1.00 43.42 N ATOM 1789 CA ASN B 106 1.232 -0.157 -12.321 1.00 41.25 C ATOM 1790 C ASN B 106 1.981 -0.028 -10.989 1.00 40.41 C ATOM 1791 O ASN B 106 3.142 -0.404 -10.874 1.00 21.44 O ATOM 1792 CB ASN B 106 1.169 -1.624 -12.815 1.00 44.44 C ATOM 1793 CG ASN B 106 0.746 -2.595 -11.721 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.441 -2.809 -11.485 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.706 -3.213 -11.087 1.00 53.45 N ATOM 0 H ASN B 106 1.106 1.446 -13.669 1.00 43.42 H new ATOM 0 HA ASN B 106 0.199 0.145 -12.148 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.468 -1.693 -13.647 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.147 -1.917 -13.197 1.00 44.44 H new ATOM 0 HD21 ASN B 106 1.482 -3.901 -10.368 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.680 -3.008 -11.311 1.00 53.45 H new ATOM 1802 N PRO B 107 1.346 0.540 -9.971 1.00 2.41 N ATOM 1803 CA PRO B 107 1.979 0.754 -8.691 1.00 33.40 C ATOM 1804 C PRO B 107 1.996 -0.491 -7.795 1.00 61.13 C ATOM 1805 O PRO B 107 0.982 -0.840 -7.167 1.00 2.50 O ATOM 1806 CB PRO B 107 1.144 1.881 -8.044 1.00 23.24 C ATOM 1807 CG PRO B 107 0.049 2.196 -9.028 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.028 1.029 -9.971 1.00 12.41 C ATOM 0 HA PRO B 107 3.032 1.005 -8.818 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.730 1.561 -7.088 1.00 23.24 H new ATOM 0 HB3 PRO B 107 1.758 2.760 -7.848 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -0.902 2.344 -8.516 1.00 52.51 H new ATOM 0 HG3 PRO B 107 0.267 3.117 -9.568 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.730 0.271 -9.624 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.352 1.331 -10.967 1.00 12.41 H new ATOM 1816 N SER B 108 3.120 -1.190 -7.781 1.00 32.11 N ATOM 1817 CA SER B 108 3.304 -2.287 -6.856 1.00 31.54 C ATOM 1818 C SER B 108 3.528 -1.674 -5.482 1.00 35.33 C ATOM 1819 O SER B 108 4.061 -0.546 -5.388 1.00 31.14 O ATOM 1820 CB SER B 108 4.496 -3.148 -7.272 1.00 33.24 C ATOM 1821 OG SER B 108 4.352 -3.585 -8.623 1.00 63.24 O ATOM 0 H SER B 108 3.913 -1.015 -8.398 1.00 32.11 H new ATOM 0 HA SER B 108 2.431 -2.939 -6.847 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.419 -2.578 -7.165 1.00 33.24 H new ATOM 0 HB3 SER B 108 4.576 -4.011 -6.611 1.00 33.24 H new ATOM 0 HG SER B 108 5.125 -4.133 -8.874 1.00 63.24 H new ATOM 1827 N LEU B 109 3.170 -2.384 -4.438 1.00 41.22 N ATOM 1828 CA LEU B 109 3.173 -1.812 -3.114 1.00 3.42 C ATOM 1829 C LEU B 109 4.569 -1.402 -2.649 1.00 71.35 C ATOM 1830 O LEU B 109 4.713 -0.319 -2.150 1.00 31.14 O ATOM 1831 CB LEU B 109 2.393 -2.699 -2.102 1.00 34.44 C ATOM 1832 CG LEU B 109 2.121 -2.136 -0.670 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.337 -2.262 0.236 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.647 -0.669 -0.733 1.00 44.53 C ATOM 0 H LEU B 109 2.873 -3.359 -4.481 1.00 41.22 H new ATOM 0 HA LEU B 109 2.621 -0.873 -3.164 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.430 -2.944 -2.550 1.00 34.44 H new ATOM 0 HB3 LEU B 109 2.940 -3.635 -1.991 1.00 34.44 H new ATOM 0 HG LEU B 109 1.325 -2.743 -0.238 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.101 -1.858 1.220 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.612 -3.312 0.331 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.170 -1.706 -0.194 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.465 -0.302 0.277 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.415 -0.059 -1.208 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.726 -0.609 -1.313 1.00 44.53 H new ATOM 1846 N GLN B 110 5.592 -2.230 -2.861 1.00 2.30 N ATOM 1847 CA GLN B 110 6.968 -1.885 -2.435 1.00 25.44 C ATOM 1848 C GLN B 110 7.421 -0.542 -3.025 1.00 14.52 C ATOM 1849 O GLN B 110 7.926 0.325 -2.303 1.00 12.34 O ATOM 1850 CB GLN B 110 7.947 -2.988 -2.864 1.00 43.20 C ATOM 1851 CG GLN B 110 9.382 -2.797 -2.381 1.00 23.12 C ATOM 1852 CD GLN B 110 9.503 -2.813 -0.866 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.426 -1.779 -0.207 1.00 21.35 O ATOM 1854 NE2 GLN B 110 9.680 -3.979 -0.309 1.00 45.30 N ATOM 0 H GLN B 110 5.506 -3.137 -3.319 1.00 2.30 H new ATOM 0 HA GLN B 110 6.964 -1.798 -1.348 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.579 -3.945 -2.494 1.00 43.20 H new ATOM 0 HB3 GLN B 110 7.950 -3.048 -3.952 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.009 -3.585 -2.799 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.765 -1.850 -2.761 1.00 23.12 H new ATOM 0 HE21 GLN B 110 9.739 -4.817 -0.888 1.00 45.30 H new ATOM 0 HE22 GLN B 110 9.759 -4.053 0.705 1.00 45.30 H new ATOM 1863 N LEU B 111 7.208 -0.371 -4.325 1.00 33.52 N ATOM 1864 CA LEU B 111 7.570 0.865 -5.018 1.00 33.42 C ATOM 1865 C LEU B 111 6.838 2.054 -4.415 1.00 12.12 C ATOM 1866 O LEU B 111 7.445 3.055 -4.085 1.00 53.21 O ATOM 1867 CB LEU B 111 7.288 0.792 -6.545 1.00 75.22 C ATOM 1868 CG LEU B 111 8.186 -0.124 -7.413 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.017 -1.601 -7.079 1.00 72.44 C ATOM 1870 CD2 LEU B 111 7.912 0.120 -8.885 1.00 1.23 C ATOM 0 H LEU B 111 6.783 -1.077 -4.926 1.00 33.52 H new ATOM 0 HA LEU B 111 8.644 0.995 -4.886 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.256 0.468 -6.678 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.359 1.803 -6.945 1.00 75.22 H new ATOM 0 HG LEU B 111 9.221 0.134 -7.187 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.670 -2.196 -7.718 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.279 -1.770 -6.035 1.00 72.44 H new ATOM 0 HD13 LEU B 111 6.981 -1.895 -7.245 1.00 72.44 H new ATOM 0 HD21 LEU B 111 8.549 -0.529 -9.486 1.00 1.23 H new ATOM 0 HD22 LEU B 111 6.866 -0.097 -9.101 1.00 1.23 H new ATOM 0 HD23 LEU B 111 8.124 1.161 -9.127 1.00 1.23 H new ATOM 1882 N ALA B 112 5.549 1.889 -4.210 1.00 72.35 N ATOM 1883 CA ALA B 112 4.694 2.945 -3.687 1.00 41.10 C ATOM 1884 C ALA B 112 5.023 3.251 -2.225 1.00 44.34 C ATOM 1885 O ALA B 112 5.053 4.412 -1.802 1.00 24.52 O ATOM 1886 CB ALA B 112 3.234 2.547 -3.830 1.00 4.33 C ATOM 0 H ALA B 112 5.057 1.016 -4.401 1.00 72.35 H new ATOM 0 HA ALA B 112 4.876 3.851 -4.265 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.600 3.342 -3.437 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.002 2.386 -4.883 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.051 1.628 -3.273 1.00 4.33 H new ATOM 1892 N LEU B 113 5.296 2.201 -1.481 1.00 33.43 N ATOM 1893 CA LEU B 113 5.546 2.264 -0.063 1.00 23.45 C ATOM 1894 C LEU B 113 6.822 3.025 0.243 1.00 50.21 C ATOM 1895 O LEU B 113 6.866 3.823 1.180 1.00 21.23 O ATOM 1896 CB LEU B 113 5.660 0.849 0.489 1.00 32.41 C ATOM 1897 CG LEU B 113 5.617 0.711 1.990 1.00 61.44 C ATOM 1898 CD1 LEU B 113 4.261 1.164 2.497 1.00 11.43 C ATOM 1899 CD2 LEU B 113 5.895 -0.727 2.390 1.00 70.53 C ATOM 0 H LEU B 113 5.351 1.255 -1.859 1.00 33.43 H new ATOM 0 HA LEU B 113 4.715 2.791 0.407 1.00 23.45 H new ATOM 0 HB2 LEU B 113 4.852 0.251 0.067 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.595 0.417 0.133 1.00 32.41 H new ATOM 0 HG LEU B 113 6.387 1.339 2.439 1.00 61.44 H new ATOM 0 HD11 LEU B 113 4.227 1.065 3.582 1.00 11.43 H new ATOM 0 HD12 LEU B 113 4.099 2.206 2.222 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.481 0.546 2.052 1.00 11.43 H new ATOM 0 HD21 LEU B 113 5.862 -0.816 3.476 1.00 70.53 H new ATOM 0 HD22 LEU B 113 5.141 -1.379 1.949 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.882 -1.020 2.032 1.00 70.53 H new ATOM 1911 N LYS B 114 7.868 2.790 -0.537 1.00 52.33 N ATOM 1912 CA LYS B 114 9.110 3.493 -0.298 1.00 54.10 C ATOM 1913 C LYS B 114 8.975 4.980 -0.597 1.00 25.41 C ATOM 1914 O LYS B 114 9.533 5.808 0.120 1.00 42.33 O ATOM 1915 CB LYS B 114 10.330 2.844 -0.978 1.00 63.32 C ATOM 1916 CG LYS B 114 10.235 2.648 -2.480 1.00 23.52 C ATOM 1917 CD LYS B 114 11.515 2.022 -3.031 1.00 64.34 C ATOM 1918 CE LYS B 114 11.816 0.673 -2.377 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.074 0.087 -2.877 1.00 33.32 N ATOM 0 H LYS B 114 7.879 2.135 -1.319 1.00 52.33 H new ATOM 0 HA LYS B 114 9.316 3.401 0.768 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.206 3.457 -0.767 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.503 1.872 -0.516 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.383 2.009 -2.714 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.057 3.608 -2.965 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.420 1.890 -4.109 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.352 2.701 -2.865 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.879 0.800 -1.296 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.993 -0.015 -2.570 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.242 -0.826 -2.409 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.005 -0.058 -3.905 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.863 0.732 -2.671 1.00 33.32 H new ATOM 1933 N ILE B 115 8.180 5.318 -1.612 1.00 54.11 N ATOM 1934 CA ILE B 115 7.916 6.728 -1.932 1.00 1.24 C ATOM 1935 C ILE B 115 7.255 7.385 -0.717 1.00 2.41 C ATOM 1936 O ILE B 115 7.636 8.474 -0.293 1.00 64.12 O ATOM 1937 CB ILE B 115 6.949 6.886 -3.136 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.425 6.075 -4.336 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.853 8.357 -3.519 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.444 6.047 -5.492 1.00 35.31 C ATOM 0 H ILE B 115 7.711 4.648 -2.222 1.00 54.11 H new ATOM 0 HA ILE B 115 8.868 7.194 -2.188 1.00 1.24 H new ATOM 0 HB ILE B 115 5.969 6.513 -2.840 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.372 6.486 -4.687 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.621 5.052 -4.015 1.00 62.35 H new ATOM 0 HG21 ILE B 115 6.174 8.469 -4.364 1.00 5.22 H new ATOM 0 HG22 ILE B 115 6.475 8.930 -2.672 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.841 8.726 -3.795 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.857 5.450 -6.305 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.503 5.607 -5.160 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.266 7.064 -5.842 1.00 35.31 H new ATOM 1952 N ALA B 116 6.337 6.655 -0.124 1.00 44.20 N ATOM 1953 CA ALA B 116 5.599 7.104 1.040 1.00 11.21 C ATOM 1954 C ALA B 116 6.523 7.292 2.233 1.00 70.10 C ATOM 1955 O ALA B 116 6.430 8.273 2.962 1.00 34.45 O ATOM 1956 CB ALA B 116 4.542 6.092 1.392 1.00 53.40 C ATOM 0 H ALA B 116 6.077 5.720 -0.439 1.00 44.20 H new ATOM 0 HA ALA B 116 5.137 8.061 0.800 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.989 6.433 2.267 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.856 5.975 0.553 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.014 5.134 1.611 1.00 53.40 H new ATOM 1962 N TYR B 117 7.418 6.345 2.413 1.00 50.04 N ATOM 1963 CA TYR B 117 8.326 6.323 3.534 1.00 11.22 C ATOM 1964 C TYR B 117 9.380 7.440 3.481 1.00 40.54 C ATOM 1965 O TYR B 117 9.532 8.186 4.448 1.00 51.22 O ATOM 1966 CB TYR B 117 8.976 4.932 3.642 1.00 31.54 C ATOM 1967 CG TYR B 117 10.125 4.855 4.607 1.00 42.44 C ATOM 1968 CD1 TYR B 117 9.924 4.757 5.971 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.418 4.897 4.136 1.00 52.31 C ATOM 1970 CE1 TYR B 117 10.993 4.701 6.838 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.494 4.843 4.987 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.278 4.746 6.340 1.00 45.04 C ATOM 1973 OH TYR B 117 13.349 4.689 7.201 1.00 12.24 O ATOM 0 H TYR B 117 7.535 5.558 1.774 1.00 50.04 H new ATOM 0 HA TYR B 117 7.744 6.519 4.435 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.215 4.212 3.944 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.326 4.631 2.655 1.00 31.54 H new ATOM 0 HD1 TYR B 117 8.918 4.724 6.361 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.590 4.974 3.073 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.826 4.622 7.902 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.500 4.876 4.596 1.00 14.05 H new ATOM 0 HH TYR B 117 14.183 4.731 6.689 1.00 12.24 H new ATOM 1983 N TYR B 118 10.086 7.572 2.367 1.00 52.41 N ATOM 1984 CA TYR B 118 11.154 8.584 2.244 1.00 3.45 C ATOM 1985 C TYR B 118 10.598 10.009 2.297 1.00 25.43 C ATOM 1986 O TYR B 118 11.269 10.943 2.736 1.00 40.30 O ATOM 1987 CB TYR B 118 12.031 8.343 0.993 1.00 51.32 C ATOM 1988 CG TYR B 118 12.883 7.073 1.079 1.00 74.11 C ATOM 1989 CD1 TYR B 118 12.340 5.832 0.821 1.00 1.22 C ATOM 1990 CD2 TYR B 118 14.221 7.125 1.440 1.00 25.42 C ATOM 1991 CE1 TYR B 118 13.083 4.683 0.913 1.00 0.00 C ATOM 1992 CE2 TYR B 118 14.979 5.971 1.539 1.00 72.42 C ATOM 1993 CZ TYR B 118 14.396 4.752 1.273 1.00 75.33 C ATOM 1994 OH TYR B 118 15.127 3.594 1.372 1.00 10.50 O ATOM 0 H TYR B 118 9.948 7.000 1.534 1.00 52.41 H new ATOM 0 HA TYR B 118 11.806 8.471 3.110 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.388 8.281 0.115 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.687 9.202 0.848 1.00 51.32 H new ATOM 0 HD1 TYR B 118 11.300 5.763 0.538 1.00 1.22 H new ATOM 0 HD2 TYR B 118 14.679 8.081 1.647 1.00 25.42 H new ATOM 0 HE1 TYR B 118 12.629 3.726 0.701 1.00 0.00 H new ATOM 0 HE2 TYR B 118 16.020 6.026 1.823 1.00 72.42 H new ATOM 0 HH TYR B 118 16.046 3.809 1.637 1.00 10.50 H new ATOM 2004 N LEU B 119 9.371 10.148 1.867 1.00 43.52 N ATOM 2005 CA LEU B 119 8.682 11.438 1.897 1.00 35.04 C ATOM 2006 C LEU B 119 7.927 11.628 3.212 1.00 52.42 C ATOM 2007 O LEU B 119 7.391 12.712 3.485 1.00 34.31 O ATOM 2008 CB LEU B 119 7.731 11.564 0.711 1.00 34.25 C ATOM 2009 CG LEU B 119 8.394 11.540 -0.663 1.00 75.05 C ATOM 2010 CD1 LEU B 119 7.346 11.588 -1.762 1.00 73.24 C ATOM 2011 CD2 LEU B 119 9.376 12.695 -0.798 1.00 30.33 C ATOM 0 H LEU B 119 8.813 9.384 1.486 1.00 43.52 H new ATOM 0 HA LEU B 119 9.434 12.223 1.824 1.00 35.04 H new ATOM 0 HB2 LEU B 119 7.006 10.752 0.760 1.00 34.25 H new ATOM 0 HB3 LEU B 119 7.174 12.495 0.811 1.00 34.25 H new ATOM 0 HG LEU B 119 8.948 10.607 -0.765 1.00 75.05 H new ATOM 0 HD11 LEU B 119 7.838 11.570 -2.735 1.00 73.24 H new ATOM 0 HD12 LEU B 119 6.686 10.725 -1.673 1.00 73.24 H new ATOM 0 HD13 LEU B 119 6.762 12.503 -1.668 1.00 73.24 H new ATOM 0 HD21 LEU B 119 9.841 12.664 -1.783 1.00 30.33 H new ATOM 0 HD22 LEU B 119 8.846 13.640 -0.676 1.00 30.33 H new ATOM 0 HD23 LEU B 119 10.146 12.610 -0.031 1.00 30.33 H new ATOM 2022 N ASN B 120 7.931 10.567 4.022 1.00 23.44 N ATOM 2023 CA ASN B 120 7.200 10.460 5.300 1.00 34.54 C ATOM 2024 C ASN B 120 5.776 10.958 5.133 1.00 23.31 C ATOM 2025 O ASN B 120 5.352 11.942 5.743 1.00 53.04 O ATOM 2026 CB ASN B 120 7.906 11.182 6.467 1.00 0.13 C ATOM 2027 CG ASN B 120 7.279 10.833 7.820 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.788 9.723 8.017 1.00 41.33 O ATOM 2029 ND2 ASN B 120 7.273 11.757 8.745 1.00 61.11 N ATOM 0 H ASN B 120 8.461 9.724 3.803 1.00 23.44 H new ATOM 0 HA ASN B 120 7.182 9.403 5.567 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.962 10.911 6.476 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.855 12.260 6.311 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.854 11.565 9.655 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.687 12.670 8.557 1.00 61.11 H new ATOM 2036 N THR B 121 5.075 10.341 4.240 1.00 45.02 N ATOM 2037 CA THR B 121 3.743 10.729 3.929 1.00 24.13 C ATOM 2038 C THR B 121 2.853 9.487 3.969 1.00 75.14 C ATOM 2039 O THR B 121 3.259 8.413 3.497 1.00 45.22 O ATOM 2040 CB THR B 121 3.707 11.364 2.517 1.00 33.24 C ATOM 2041 OG1 THR B 121 4.787 12.307 2.408 1.00 22.11 O ATOM 2042 CG2 THR B 121 2.395 12.098 2.272 1.00 53.13 C ATOM 0 H THR B 121 5.416 9.545 3.701 1.00 45.02 H new ATOM 0 HA THR B 121 3.384 11.461 4.652 1.00 24.13 H new ATOM 0 HB THR B 121 3.802 10.568 1.778 1.00 33.24 H new ATOM 0 HG1 THR B 121 4.776 12.715 1.517 1.00 22.11 H new ATOM 0 HG21 THR B 121 2.402 12.532 1.272 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.565 11.397 2.357 1.00 53.13 H new ATOM 0 HG23 THR B 121 2.278 12.891 3.011 1.00 53.13 H new ATOM 2050 N PRO B 122 1.686 9.580 4.602 1.00 2.53 N ATOM 2051 CA PRO B 122 0.732 8.484 4.644 1.00 62.14 C ATOM 2052 C PRO B 122 0.256 8.114 3.241 1.00 22.43 C ATOM 2053 O PRO B 122 0.018 9.002 2.398 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.435 9.039 5.472 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.259 10.515 5.453 1.00 3.21 C ATOM 2056 CD PRO B 122 1.208 10.753 5.354 1.00 22.03 C ATOM 0 HA PRO B 122 1.164 7.577 5.068 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.395 8.751 5.042 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.413 8.653 6.491 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -0.784 10.960 4.608 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -0.668 10.968 6.356 1.00 3.21 H new ATOM 0 HD2 PRO B 122 1.431 11.684 4.833 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.673 10.818 6.338 1.00 22.03 H new ATOM 2064 N LEU B 123 0.135 6.819 2.992 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.343 6.303 1.711 1.00 13.13 C ATOM 2066 C LEU B 123 -1.687 6.910 1.355 1.00 71.12 C ATOM 2067 O LEU B 123 -1.942 7.195 0.201 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.456 4.757 1.707 1.00 34.12 C ATOM 2069 CG LEU B 123 0.844 3.925 1.599 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.604 4.246 0.321 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.727 4.049 2.829 1.00 13.21 C ATOM 0 H LEU B 123 0.365 6.093 3.670 1.00 62.42 H new ATOM 0 HA LEU B 123 0.396 6.589 0.963 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.966 4.459 2.623 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -1.102 4.473 0.876 1.00 34.12 H new ATOM 0 HG LEU B 123 0.541 2.879 1.550 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.512 3.644 0.277 1.00 35.04 H new ATOM 0 HD12 LEU B 123 0.977 4.021 -0.542 1.00 35.04 H new ATOM 0 HD13 LEU B 123 1.869 5.303 0.311 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.624 3.444 2.696 1.00 13.21 H new ATOM 0 HD22 LEU B 123 2.011 5.092 2.970 1.00 13.21 H new ATOM 0 HD23 LEU B 123 1.181 3.700 3.706 1.00 13.21 H new ATOM 2082 N GLU B 124 -2.516 7.135 2.368 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.843 7.720 2.216 1.00 25.13 C ATOM 2084 C GLU B 124 -3.777 9.094 1.566 1.00 23.31 C ATOM 2085 O GLU B 124 -4.635 9.453 0.756 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.551 7.882 3.590 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.499 6.673 4.532 1.00 63.30 C ATOM 2088 CD GLU B 124 -3.211 6.584 5.332 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -2.195 6.110 4.809 1.00 71.30 O ATOM 2090 OE2 GLU B 124 -3.203 6.995 6.509 1.00 53.22 O ATOM 0 H GLU B 124 -2.281 6.912 3.335 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.406 7.035 1.582 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.107 8.735 4.104 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.597 8.128 3.408 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.343 6.722 5.221 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.618 5.761 3.947 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.774 9.869 1.939 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.618 11.222 1.423 1.00 63.41 C ATOM 2099 C ASP B 125 -2.174 11.175 -0.028 1.00 42.14 C ATOM 2100 O ASP B 125 -2.701 11.898 -0.888 1.00 72.41 O ATOM 2101 CB ASP B 125 -1.614 12.021 2.269 1.00 22.41 C ATOM 2102 CG ASP B 125 -1.711 13.516 2.026 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -2.669 14.136 2.544 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -0.850 14.100 1.357 1.00 14.52 O ATOM 0 H ASP B 125 -2.051 9.585 2.600 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.582 11.728 1.482 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -1.789 11.816 3.325 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -0.603 11.684 2.042 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.241 10.275 -0.294 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.643 10.124 -1.613 1.00 73.13 C ATOM 2111 C ILE B 126 -1.620 9.484 -2.606 1.00 51.12 C ATOM 2112 O ILE B 126 -1.936 10.055 -3.655 1.00 44.15 O ATOM 2113 CB ILE B 126 0.671 9.302 -1.572 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.674 9.945 -0.607 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.269 9.217 -2.972 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.981 9.189 -0.476 1.00 50.54 C ATOM 0 H ILE B 126 -0.875 9.625 0.402 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.404 11.132 -1.953 1.00 73.13 H new ATOM 0 HB ILE B 126 0.447 8.296 -1.217 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.886 10.960 -0.944 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.213 10.026 0.378 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.192 8.639 -2.939 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.560 8.730 -3.642 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.483 10.221 -3.338 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.634 9.710 0.224 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.784 8.182 -0.108 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.467 9.131 -1.450 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.134 8.332 -2.252 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.979 7.584 -3.142 1.00 22.52 C ATOM 2130 C PHE B 127 -4.388 7.580 -2.619 1.00 61.31 C ATOM 2131 O PHE B 127 -4.624 7.471 -1.415 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.487 6.109 -3.277 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.114 5.941 -3.860 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.930 5.894 -5.229 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -0.011 5.806 -3.033 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.331 5.721 -5.766 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.253 5.638 -3.564 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.423 5.594 -4.932 1.00 22.32 C ATOM 0 H PHE B 127 -1.979 7.891 -1.345 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.941 8.059 -4.122 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.504 5.646 -2.290 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.197 5.562 -3.898 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -1.781 5.994 -5.886 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.141 5.832 -1.961 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.462 5.685 -6.837 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.106 5.541 -2.909 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.410 5.460 -5.350 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.316 7.703 -3.513 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.692 7.668 -3.175 1.00 2.15 C ATOM 2150 C GLN B 128 -7.256 6.403 -3.753 1.00 41.21 C ATOM 2151 O GLN B 128 -7.145 6.148 -4.957 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.399 8.914 -3.713 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.844 9.067 -3.273 1.00 54.21 C ATOM 2154 CD GLN B 128 -9.411 10.410 -3.674 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -9.309 11.382 -2.927 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -10.012 10.485 -4.830 1.00 41.41 N ATOM 0 H GLN B 128 -5.132 7.832 -4.508 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.839 7.672 -2.095 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.842 9.796 -3.396 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.366 8.891 -4.802 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.445 8.272 -3.714 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.909 8.953 -2.191 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -10.079 9.659 -5.425 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -10.415 11.370 -5.139 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.844 5.634 -2.919 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.313 4.330 -3.276 1.00 61.35 C ATOM 2167 C TRP B 129 -9.808 4.213 -3.186 1.00 61.52 C ATOM 2168 O TRP B 129 -10.409 4.516 -2.164 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.619 3.273 -2.410 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.359 3.721 -0.989 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.278 4.066 -0.030 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.081 3.848 -0.373 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.641 4.433 1.123 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.291 4.289 0.947 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.776 3.632 -0.813 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -5.249 4.513 1.822 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.742 3.853 0.063 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.985 4.288 1.364 1.00 31.53 C ATOM 0 H TRP B 129 -8.022 5.888 -1.947 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.056 4.158 -4.321 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.233 2.373 -2.390 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -6.671 3.002 -2.875 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.349 4.050 -0.166 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -8.097 4.760 1.975 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.582 3.298 -1.822 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -5.427 4.854 2.831 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.725 3.687 -0.261 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -3.149 4.451 2.028 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.403 3.825 -4.263 1.00 35.50 N ATOM 2190 CA GLN B 130 -11.808 3.586 -4.317 1.00 11.44 C ATOM 2191 C GLN B 130 -12.025 2.206 -4.907 1.00 30.22 C ATOM 2192 O GLN B 130 -11.680 1.971 -6.063 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.494 4.633 -5.203 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.253 6.077 -4.779 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.775 6.383 -3.387 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.747 5.781 -2.915 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -12.162 7.323 -2.738 1.00 53.21 N ATOM 0 H GLN B 130 -9.920 3.662 -5.146 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.234 3.650 -3.316 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.147 4.506 -6.228 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.567 4.442 -5.204 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.184 6.286 -4.814 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.732 6.745 -5.495 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -11.364 7.797 -3.160 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -12.478 7.588 -1.805 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.581 1.263 -4.139 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.868 -0.094 -4.617 1.00 13.14 C ATOM 2208 C PRO B 131 -14.240 -0.140 -5.293 1.00 44.11 C ATOM 2209 O PRO B 131 -14.872 -1.193 -5.414 1.00 4.41 O ATOM 2210 CB PRO B 131 -12.884 -0.932 -3.318 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.711 0.043 -2.183 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.968 1.414 -2.738 1.00 62.43 C ATOM 0 HA PRO B 131 -12.147 -0.452 -5.352 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -13.821 -1.480 -3.220 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.082 -1.670 -3.322 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -13.405 -0.181 -1.373 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.705 -0.023 -1.768 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -14.013 1.705 -2.634 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.374 2.175 -2.232 1.00 62.43 H new ATOM 2220 N GLU B 132 -14.652 1.008 -5.747 1.00 22.55 N ATOM 2221 CA GLU B 132 -15.940 1.227 -6.325 1.00 60.44 C ATOM 2222 C GLU B 132 -15.755 1.832 -7.714 1.00 3.22 C ATOM 2223 O GLU B 132 -15.726 1.061 -8.708 1.00 11.44 O ATOM 2224 CB GLU B 132 -16.744 2.152 -5.395 1.00 14.51 C ATOM 2225 CG GLU B 132 -16.813 1.621 -3.958 1.00 33.32 C ATOM 2226 CD GLU B 132 -17.465 2.559 -2.982 1.00 75.24 C ATOM 2227 OE1 GLU B 132 -16.881 3.620 -2.681 1.00 31.01 O ATOM 2228 OE2 GLU B 132 -18.535 2.225 -2.445 1.00 24.43 O ATOM 2229 OXT GLU B 132 -15.566 3.057 -7.825 1.00 0.00 O ATOM 0 H GLU B 132 -14.075 1.848 -5.722 1.00 22.55 H new ATOM 0 HA GLU B 132 -16.493 0.294 -6.434 1.00 60.44 H new ATOM 0 HB2 GLU B 132 -16.290 3.143 -5.392 1.00 14.51 H new ATOM 0 HB3 GLU B 132 -17.755 2.266 -5.786 1.00 14.51 H new ATOM 0 HG2 GLU B 132 -17.359 0.678 -3.958 1.00 33.32 H new ATOM 0 HG3 GLU B 132 -15.802 1.404 -3.615 1.00 33.32 H new TER 2236 GLU B 132