USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 61 ASN :FLIP amide:sc= -0.0421 F(o=-0.79,f=0.38) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.42 K(o=0.38,f=-0.79) USER MOD Set 2.1: A 37 THR OG1 : rot -165:sc= 0.814 USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -0.436 F(o=-0.96,f=0.38) USER MOD Single : A 4 THR OG1 : rot 170:sc= 0.989 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.0707 (180deg=-0.426) USER MOD Single : A 6 SER OG : rot 180:sc= -0.039 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.49) USER MOD Single : A 28 GLN : amide:sc= -0.4 K(o=-0.4,f=-3!) USER MOD Single : A 30 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.344 F(o=-1.2,f=-0.34) USER MOD Single : A 33 GLN : amide:sc= -0.52 K(o=-0.52,f=-5!) USER MOD Single : A 34 MET CE :methyl -138:sc= -0.138 (180deg=-0.54) USER MOD Single : A 35 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=-0.38) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.0978 F(o=-1,f=-0.098) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.92) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.59! C(o=-1.6!,f=-5.2!) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.787) USER MOD Single : A 77 GLN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 81 GLN : amide:sc= -4.77! C(o=-4.8!,f=-8.8!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0702 F(o=-1.2,f=-0.07) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0567 F(o=-0.86,f=-0.057) USER MOD Single : A 90 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.37) USER MOD Single : A 93 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 98 GLN : amide:sc= 0.229 K(o=0.23,f=-0.37) USER MOD Single : A 99 MET CE :methyl 179:sc= 0 (180deg=-0.00307) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 1.41 (180deg=1.41) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 105 MET CE :methyl 141:sc= -0.0596 (180deg=-0.45) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 111 ASN : amide:sc= -0.0346 K(o=-0.035,f=-0.65) USER MOD Single : A 113 GLN : amide:sc= -2.16 K(o=-2.2,f=-6.7!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0209 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 0.144 -21.403 5.430 1.00 0.00 N ATOM 35 CA CYS A 3 -0.963 -20.759 6.074 1.00 0.00 C ATOM 36 C CYS A 3 -0.932 -21.111 7.536 1.00 0.00 C ATOM 37 O CYS A 3 -0.488 -22.209 7.905 1.00 0.00 O ATOM 38 CB CYS A 3 -2.297 -21.176 5.468 1.00 0.00 C ATOM 39 SG CYS A 3 -2.486 -20.832 3.679 1.00 0.00 S ATOM 0 HA CYS A 3 -0.870 -19.682 5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.433 -22.245 5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.097 -20.666 6.006 1.00 0.00 H new ATOM 44 N THR A 4 -1.347 -20.196 8.360 1.00 0.00 N ATOM 45 CA THR A 4 -1.366 -20.396 9.781 1.00 0.00 C ATOM 46 C THR A 4 -2.531 -21.295 10.174 1.00 0.00 C ATOM 47 O THR A 4 -3.496 -21.471 9.405 1.00 0.00 O ATOM 48 CB THR A 4 -1.475 -19.046 10.528 1.00 0.00 C ATOM 49 OG1 THR A 4 -2.692 -18.367 10.163 1.00 0.00 O ATOM 50 CG2 THR A 4 -0.291 -18.152 10.195 1.00 0.00 C ATOM 0 H THR A 4 -1.685 -19.281 8.064 1.00 0.00 H new ATOM 0 HA THR A 4 -0.430 -20.877 10.065 1.00 0.00 H new ATOM 0 HB THR A 4 -1.480 -19.255 11.598 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.829 -17.599 10.756 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.386 -17.207 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.633 -18.646 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.270 -17.961 9.122 1.00 0.00 H new ATOM 58 N LYS A 5 -2.447 -21.865 11.344 1.00 0.00 N ATOM 59 CA LYS A 5 -3.487 -22.721 11.858 1.00 0.00 C ATOM 60 C LYS A 5 -4.465 -21.895 12.658 1.00 0.00 C ATOM 61 O LYS A 5 -4.553 -22.012 13.887 1.00 0.00 O ATOM 62 CB LYS A 5 -2.924 -23.882 12.713 1.00 0.00 C ATOM 63 CG LYS A 5 -2.174 -24.984 11.951 1.00 0.00 C ATOM 64 CD LYS A 5 -0.908 -24.493 11.260 1.00 0.00 C ATOM 65 CE LYS A 5 -0.233 -25.605 10.481 1.00 0.00 C ATOM 66 NZ LYS A 5 -1.132 -26.195 9.462 1.00 0.00 N ATOM 0 H LYS A 5 -1.652 -21.750 11.973 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.998 -23.178 11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.250 -23.462 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.751 -24.342 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.913 -25.782 12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.841 -25.417 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.155 -23.673 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.217 -24.097 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.661 -25.215 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.094 -26.384 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.575 -26.774 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.844 -26.791 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.609 -25.434 8.937 1.00 0.00 H new ATOM 80 N SER A 6 -5.154 -21.031 11.978 1.00 0.00 N ATOM 81 CA SER A 6 -6.081 -20.149 12.596 1.00 0.00 C ATOM 82 C SER A 6 -7.150 -19.801 11.579 1.00 0.00 C ATOM 83 O SER A 6 -7.039 -20.190 10.411 1.00 0.00 O ATOM 84 CB SER A 6 -5.325 -18.893 13.055 1.00 0.00 C ATOM 85 OG SER A 6 -6.161 -17.972 13.740 1.00 0.00 O ATOM 0 H SER A 6 -5.084 -20.921 10.966 1.00 0.00 H new ATOM 0 HA SER A 6 -6.554 -20.608 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.503 -19.187 13.708 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.884 -18.402 12.188 1.00 0.00 H new ATOM 0 HG SER A 6 -5.634 -17.192 14.013 1.00 0.00 H new ATOM 91 N ILE A 7 -8.179 -19.116 12.021 1.00 0.00 N ATOM 92 CA ILE A 7 -9.261 -18.667 11.175 1.00 0.00 C ATOM 93 C ILE A 7 -9.451 -17.164 11.416 1.00 0.00 C ATOM 94 O ILE A 7 -9.714 -16.751 12.549 1.00 0.00 O ATOM 95 CB ILE A 7 -10.587 -19.435 11.483 1.00 0.00 C ATOM 96 CG1 ILE A 7 -10.424 -20.953 11.226 1.00 0.00 C ATOM 97 CG2 ILE A 7 -11.761 -18.873 10.675 1.00 0.00 C ATOM 98 CD1 ILE A 7 -10.150 -21.332 9.776 1.00 0.00 C ATOM 0 H ILE A 7 -8.290 -18.850 12.999 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.013 -18.864 10.132 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.809 -19.290 12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.607 -21.326 11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.330 -21.462 11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.667 -19.430 10.914 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.905 -17.822 10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.548 -18.966 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.051 -22.414 9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.976 -20.995 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.226 -20.858 9.444 1.00 0.00 H new ATOM 110 N PRO A 8 -9.269 -16.319 10.386 1.00 0.00 N ATOM 111 CA PRO A 8 -8.898 -16.749 9.032 1.00 0.00 C ATOM 112 C PRO A 8 -7.441 -17.206 8.966 1.00 0.00 C ATOM 113 O PRO A 8 -6.587 -16.686 9.706 1.00 0.00 O ATOM 114 CB PRO A 8 -9.073 -15.480 8.179 1.00 0.00 C ATOM 115 CG PRO A 8 -9.745 -14.484 9.062 1.00 0.00 C ATOM 116 CD PRO A 8 -9.400 -14.866 10.466 1.00 0.00 C ATOM 0 HA PRO A 8 -9.503 -17.592 8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.110 -15.107 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.674 -15.685 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.403 -13.473 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.824 -14.496 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.475 -14.395 10.797 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.179 -14.569 11.169 1.00 0.00 H new ATOM 124 N PRO A 9 -7.137 -18.197 8.122 1.00 0.00 N ATOM 125 CA PRO A 9 -5.782 -18.677 7.967 1.00 0.00 C ATOM 126 C PRO A 9 -4.929 -17.621 7.302 1.00 0.00 C ATOM 127 O PRO A 9 -5.282 -17.091 6.238 1.00 0.00 O ATOM 128 CB PRO A 9 -5.908 -19.897 7.060 1.00 0.00 C ATOM 129 CG PRO A 9 -7.195 -19.711 6.341 1.00 0.00 C ATOM 130 CD PRO A 9 -8.087 -18.926 7.261 1.00 0.00 C ATOM 0 HA PRO A 9 -5.313 -18.915 8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.072 -19.959 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.909 -20.821 7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.042 -19.179 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.644 -20.673 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.733 -18.244 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.737 -19.579 7.843 1.00 0.00 H new ATOM 138 N ILE A 10 -3.844 -17.299 7.912 1.00 0.00 N ATOM 139 CA ILE A 10 -2.983 -16.292 7.395 1.00 0.00 C ATOM 140 C ILE A 10 -2.005 -16.966 6.479 1.00 0.00 C ATOM 141 O ILE A 10 -1.192 -17.774 6.918 1.00 0.00 O ATOM 142 CB ILE A 10 -2.237 -15.540 8.525 1.00 0.00 C ATOM 143 CG1 ILE A 10 -3.236 -14.957 9.552 1.00 0.00 C ATOM 144 CG2 ILE A 10 -1.338 -14.447 7.953 1.00 0.00 C ATOM 145 CD1 ILE A 10 -4.240 -13.967 8.976 1.00 0.00 C ATOM 0 H ILE A 10 -3.527 -17.725 8.783 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.570 -15.546 6.859 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.601 -16.257 9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.782 -15.780 10.014 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.674 -14.463 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.826 -13.934 8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.602 -14.894 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.944 -13.731 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.898 -13.613 9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.708 -13.121 8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.834 -14.458 8.205 1.00 0.00 H new ATOM 157 N CYS A 11 -2.112 -16.685 5.228 1.00 0.00 N ATOM 158 CA CYS A 11 -1.284 -17.324 4.265 1.00 0.00 C ATOM 159 C CYS A 11 -0.207 -16.399 3.792 1.00 0.00 C ATOM 160 O CYS A 11 -0.434 -15.209 3.558 1.00 0.00 O ATOM 161 CB CYS A 11 -2.103 -17.860 3.108 1.00 0.00 C ATOM 162 SG CYS A 11 -3.415 -19.025 3.615 1.00 0.00 S ATOM 0 H CYS A 11 -2.772 -16.009 4.844 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.803 -18.176 4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.557 -17.023 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.438 -18.360 2.404 1.00 0.00 H new ATOM 310 N CYS A 22 2.719 -9.761 -2.020 1.00 0.00 N ATOM 311 CA CYS A 22 4.021 -9.324 -1.596 1.00 0.00 C ATOM 312 C CYS A 22 3.944 -8.545 -0.295 1.00 0.00 C ATOM 313 O CYS A 22 3.188 -7.563 -0.193 1.00 0.00 O ATOM 314 CB CYS A 22 4.666 -8.458 -2.652 1.00 0.00 C ATOM 315 SG CYS A 22 5.387 -9.341 -4.069 1.00 0.00 S ATOM 0 HA CYS A 22 4.626 -10.217 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.919 -7.758 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.450 -7.866 -2.180 1.00 0.00 H new ATOM 320 N GLN A 23 4.688 -8.979 0.696 1.00 0.00 N ATOM 321 CA GLN A 23 4.733 -8.279 1.947 1.00 0.00 C ATOM 322 C GLN A 23 6.065 -7.555 2.083 1.00 0.00 C ATOM 323 O GLN A 23 7.141 -8.162 2.076 1.00 0.00 O ATOM 324 CB GLN A 23 4.435 -9.191 3.143 1.00 0.00 C ATOM 325 CG GLN A 23 5.405 -10.329 3.351 1.00 0.00 C ATOM 326 CD GLN A 23 5.008 -11.208 4.511 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.294 -12.193 4.345 1.00 0.00 O ATOM 328 NE2 GLN A 23 5.439 -10.862 5.684 1.00 0.00 N ATOM 0 H GLN A 23 5.270 -9.816 0.654 1.00 0.00 H new ATOM 0 HA GLN A 23 3.937 -7.535 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.418 -8.582 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.435 -9.607 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.458 -10.930 2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.403 -9.927 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.031 -10.038 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.186 -11.414 6.504 1.00 0.00 H new ATOM 337 N ILE A 24 5.988 -6.270 2.147 1.00 0.00 N ATOM 338 CA ILE A 24 7.152 -5.434 2.227 1.00 0.00 C ATOM 339 C ILE A 24 7.036 -4.651 3.511 1.00 0.00 C ATOM 340 O ILE A 24 5.957 -4.116 3.802 1.00 0.00 O ATOM 341 CB ILE A 24 7.257 -4.432 1.012 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.046 -5.118 -0.353 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.600 -3.745 0.995 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.599 -5.331 -0.736 1.00 0.00 C ATOM 0 H ILE A 24 5.106 -5.757 2.146 1.00 0.00 H new ATOM 0 HA ILE A 24 8.046 -6.056 2.199 1.00 0.00 H new ATOM 0 HB ILE A 24 6.458 -3.706 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.527 -4.517 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.550 -6.084 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.648 -3.060 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.735 -3.187 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.389 -4.491 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.548 -5.819 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.114 -5.960 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.090 -4.368 -0.786 1.00 0.00 H new ATOM 356 N ARG A 25 8.101 -4.607 4.285 1.00 0.00 N ATOM 357 CA ARG A 25 8.079 -3.933 5.560 1.00 0.00 C ATOM 358 C ARG A 25 7.928 -2.434 5.393 1.00 0.00 C ATOM 359 O ARG A 25 8.794 -1.767 4.835 1.00 0.00 O ATOM 360 CB ARG A 25 9.304 -4.305 6.421 1.00 0.00 C ATOM 361 CG ARG A 25 10.670 -3.974 5.837 1.00 0.00 C ATOM 362 CD ARG A 25 11.785 -4.520 6.718 1.00 0.00 C ATOM 363 NE ARG A 25 13.115 -4.224 6.168 1.00 0.00 N ATOM 364 CZ ARG A 25 14.223 -3.990 6.891 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.211 -4.152 8.216 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.356 -3.667 6.276 1.00 0.00 N ATOM 0 H ARG A 25 8.997 -5.034 4.048 1.00 0.00 H new ATOM 0 HA ARG A 25 7.199 -4.281 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.212 -3.799 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.268 -5.376 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.753 -4.395 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.775 -2.894 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.702 -4.091 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.668 -5.599 6.824 1.00 0.00 H new ATOM 0 HE ARG A 25 13.205 -4.194 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.357 -4.455 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.055 -3.973 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.382 -3.597 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.199 -3.489 6.821 1.00 0.00 H new ATOM 380 N ILE A 26 6.831 -1.906 5.902 1.00 0.00 N ATOM 381 CA ILE A 26 6.506 -0.485 5.779 1.00 0.00 C ATOM 382 C ILE A 26 7.520 0.422 6.442 1.00 0.00 C ATOM 383 O ILE A 26 7.570 1.619 6.182 1.00 0.00 O ATOM 384 CB ILE A 26 5.057 -0.150 6.255 1.00 0.00 C ATOM 385 CG1 ILE A 26 4.714 -0.667 7.683 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.057 -0.657 5.260 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.341 0.103 8.836 1.00 0.00 C ATOM 0 H ILE A 26 6.134 -2.446 6.415 1.00 0.00 H new ATOM 0 HA ILE A 26 6.552 -0.281 4.709 1.00 0.00 H new ATOM 0 HB ILE A 26 5.007 0.937 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.631 -0.648 7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.025 -1.709 7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.050 -0.418 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.234 -0.185 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.159 -1.738 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.034 -0.344 9.782 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.427 0.064 8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.012 1.141 8.802 1.00 0.00 H new ATOM 399 N GLN A 27 8.361 -0.145 7.262 1.00 0.00 N ATOM 400 CA GLN A 27 9.318 0.648 7.955 1.00 0.00 C ATOM 401 C GLN A 27 10.481 0.983 7.043 1.00 0.00 C ATOM 402 O GLN A 27 11.220 1.921 7.304 1.00 0.00 O ATOM 403 CB GLN A 27 9.795 -0.026 9.228 1.00 0.00 C ATOM 404 CG GLN A 27 10.629 -1.267 9.013 1.00 0.00 C ATOM 405 CD GLN A 27 11.150 -1.834 10.305 1.00 0.00 C ATOM 406 OE1 GLN A 27 10.509 -1.722 11.360 1.00 0.00 O ATOM 407 NE2 GLN A 27 12.310 -2.399 10.256 1.00 0.00 N ATOM 0 H GLN A 27 8.398 -1.145 7.461 1.00 0.00 H new ATOM 0 HA GLN A 27 8.831 1.577 8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.378 0.691 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.926 -0.289 9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.030 -2.021 8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.468 -1.030 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.805 -2.471 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.731 -2.773 11.106 1.00 0.00 H new ATOM 416 N GLN A 28 10.623 0.242 5.941 1.00 0.00 N ATOM 417 CA GLN A 28 11.703 0.528 5.024 1.00 0.00 C ATOM 418 C GLN A 28 11.286 1.714 4.156 1.00 0.00 C ATOM 419 O GLN A 28 12.114 2.451 3.639 1.00 0.00 O ATOM 420 CB GLN A 28 12.059 -0.679 4.129 1.00 0.00 C ATOM 421 CG GLN A 28 11.077 -0.923 2.999 1.00 0.00 C ATOM 422 CD GLN A 28 11.596 -1.790 1.878 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.203 -1.624 0.745 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.468 -2.706 2.171 1.00 0.00 N ATOM 0 H GLN A 28 10.018 -0.536 5.676 1.00 0.00 H new ATOM 0 HA GLN A 28 12.596 0.758 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.052 -0.524 3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.113 -1.574 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.180 -1.386 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.777 0.039 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.781 -2.823 3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.840 -3.309 1.437 1.00 0.00 H new ATOM 433 N LEU A 29 9.970 1.905 4.042 1.00 0.00 N ATOM 434 CA LEU A 29 9.421 2.983 3.238 1.00 0.00 C ATOM 435 C LEU A 29 9.161 4.191 4.069 1.00 0.00 C ATOM 436 O LEU A 29 8.639 5.175 3.566 1.00 0.00 O ATOM 437 CB LEU A 29 8.110 2.617 2.536 1.00 0.00 C ATOM 438 CG LEU A 29 8.125 1.517 1.495 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.336 1.635 0.588 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.977 0.153 2.128 1.00 0.00 C ATOM 0 H LEU A 29 9.269 1.322 4.500 1.00 0.00 H new ATOM 0 HA LEU A 29 10.179 3.180 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.391 2.335 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.728 3.519 2.058 1.00 0.00 H new ATOM 0 HG LEU A 29 7.253 1.642 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.319 0.832 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.315 2.597 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.246 1.561 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.992 -0.612 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.800 -0.018 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.032 0.103 2.668 1.00 0.00 H new ATOM 452 N ASN A 30 9.542 4.130 5.335 1.00 0.00 N ATOM 453 CA ASN A 30 9.315 5.228 6.276 1.00 0.00 C ATOM 454 C ASN A 30 9.898 6.537 5.761 1.00 0.00 C ATOM 455 O ASN A 30 9.329 7.604 5.991 1.00 0.00 O ATOM 456 CB ASN A 30 9.877 4.907 7.672 1.00 0.00 C ATOM 457 CG ASN A 30 9.556 5.992 8.705 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.508 5.951 9.357 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.447 6.930 8.885 1.00 0.00 N ATOM 0 H ASN A 30 10.016 3.324 5.743 1.00 0.00 H new ATOM 0 HA ASN A 30 8.235 5.346 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.469 3.955 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.958 4.785 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.287 7.658 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.302 6.934 8.329 1.00 0.00 H new ATOM 466 N HIS A 31 11.000 6.453 5.006 1.00 0.00 N ATOM 467 CA HIS A 31 11.615 7.661 4.486 1.00 0.00 C ATOM 468 C HIS A 31 10.724 8.203 3.409 1.00 0.00 C ATOM 469 O HIS A 31 10.328 9.339 3.464 1.00 0.00 O ATOM 470 CB HIS A 31 13.008 7.416 3.889 1.00 0.00 C ATOM 471 CG HIS A 31 13.784 8.681 3.584 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.466 9.743 2.793 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.030 8.955 4.085 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.502 10.659 2.817 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.418 10.134 3.609 1.00 0.00 N flip ATOM 0 H HIS A 31 11.467 5.583 4.751 1.00 0.00 H new ATOM 0 HA HIS A 31 11.737 8.358 5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.587 6.807 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.901 6.838 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.598 8.323 4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.551 11.604 2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.310 10.577 3.828 1.00 0.00 H new ATOM 483 N CYS A 32 10.403 7.351 2.462 1.00 0.00 N ATOM 484 CA CYS A 32 9.587 7.690 1.311 1.00 0.00 C ATOM 485 C CYS A 32 8.247 8.266 1.794 1.00 0.00 C ATOM 486 O CYS A 32 7.841 9.348 1.386 1.00 0.00 O ATOM 487 CB CYS A 32 9.370 6.421 0.486 1.00 0.00 C ATOM 488 SG CYS A 32 9.285 6.679 -1.306 1.00 0.00 S ATOM 0 H CYS A 32 10.708 6.378 2.468 1.00 0.00 H new ATOM 0 HA CYS A 32 10.079 8.440 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.180 5.724 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.445 5.946 0.814 1.00 0.00 H new ATOM 493 N GLN A 33 7.617 7.537 2.707 1.00 0.00 N ATOM 494 CA GLN A 33 6.414 7.924 3.387 1.00 0.00 C ATOM 495 C GLN A 33 6.521 9.339 3.977 1.00 0.00 C ATOM 496 O GLN A 33 5.733 10.218 3.627 1.00 0.00 O ATOM 497 CB GLN A 33 6.171 6.914 4.499 1.00 0.00 C ATOM 498 CG GLN A 33 5.136 7.334 5.505 1.00 0.00 C ATOM 499 CD GLN A 33 5.120 6.458 6.742 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.139 5.909 7.145 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.974 6.316 7.356 1.00 0.00 N ATOM 0 H GLN A 33 7.957 6.620 2.998 1.00 0.00 H new ATOM 0 HA GLN A 33 5.586 7.938 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.864 5.968 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.112 6.731 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.323 8.366 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.152 7.310 5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.142 6.785 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.912 5.736 8.193 1.00 0.00 H new ATOM 510 N MET A 34 7.513 9.560 4.852 1.00 0.00 N ATOM 511 CA MET A 34 7.658 10.857 5.513 1.00 0.00 C ATOM 512 C MET A 34 8.027 11.933 4.520 1.00 0.00 C ATOM 513 O MET A 34 7.548 13.021 4.601 1.00 0.00 O ATOM 514 CB MET A 34 8.666 10.840 6.689 1.00 0.00 C ATOM 515 CG MET A 34 10.127 10.607 6.309 1.00 0.00 C ATOM 516 SD MET A 34 11.265 10.627 7.722 1.00 0.00 S ATOM 517 CE MET A 34 11.044 12.310 8.319 1.00 0.00 C ATOM 0 H MET A 34 8.215 8.867 5.113 1.00 0.00 H new ATOM 0 HA MET A 34 6.682 11.084 5.942 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.595 11.791 7.217 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.364 10.062 7.390 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.211 9.647 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.434 11.373 5.597 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.013 12.732 8.584 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.586 12.916 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.399 12.303 9.198 1.00 0.00 H new ATOM 527 N HIS A 35 8.852 11.587 3.573 1.00 0.00 N ATOM 528 CA HIS A 35 9.298 12.496 2.517 1.00 0.00 C ATOM 529 C HIS A 35 8.114 13.038 1.716 1.00 0.00 C ATOM 530 O HIS A 35 8.126 14.183 1.267 1.00 0.00 O ATOM 531 CB HIS A 35 10.392 11.798 1.632 1.00 0.00 C ATOM 532 CG HIS A 35 10.297 11.979 0.134 1.00 0.00 C ATOM 533 ND1 HIS A 35 10.400 13.186 -0.512 1.00 0.00 N ATOM 534 CD2 HIS A 35 10.073 11.059 -0.831 1.00 0.00 C ATOM 535 CE1 HIS A 35 10.230 12.972 -1.818 1.00 0.00 C ATOM 536 NE2 HIS A 35 10.030 11.697 -2.070 1.00 0.00 N ATOM 0 H HIS A 35 9.250 10.651 3.498 1.00 0.00 H new ATOM 0 HA HIS A 35 9.769 13.370 2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.368 12.162 1.954 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.365 10.729 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.947 9.999 -0.668 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.254 13.746 -2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.876 11.265 -2.981 1.00 0.00 H new ATOM 544 N LEU A 36 7.115 12.232 1.558 1.00 0.00 N ATOM 545 CA LEU A 36 5.939 12.650 0.851 1.00 0.00 C ATOM 546 C LEU A 36 4.996 13.462 1.733 1.00 0.00 C ATOM 547 O LEU A 36 4.439 14.458 1.299 1.00 0.00 O ATOM 548 CB LEU A 36 5.203 11.459 0.271 1.00 0.00 C ATOM 549 CG LEU A 36 5.993 10.601 -0.716 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.180 9.410 -1.152 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.441 11.416 -1.920 1.00 0.00 C ATOM 0 H LEU A 36 7.086 11.275 1.909 1.00 0.00 H new ATOM 0 HA LEU A 36 6.275 13.294 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.875 10.823 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.305 11.820 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 36 6.887 10.241 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.760 8.811 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.927 8.804 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.265 9.752 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.000 10.778 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.567 11.819 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.077 12.237 -1.588 1.00 0.00 H new ATOM 563 N THR A 37 4.817 13.059 2.960 1.00 0.00 N ATOM 564 CA THR A 37 3.856 13.741 3.798 1.00 0.00 C ATOM 565 C THR A 37 4.437 14.981 4.496 1.00 0.00 C ATOM 566 O THR A 37 3.700 15.886 4.939 1.00 0.00 O ATOM 567 CB THR A 37 3.307 12.763 4.830 1.00 0.00 C ATOM 568 OG1 THR A 37 4.398 12.183 5.562 1.00 0.00 O ATOM 569 CG2 THR A 37 2.549 11.646 4.146 1.00 0.00 C ATOM 0 H THR A 37 5.308 12.281 3.400 1.00 0.00 H new ATOM 0 HA THR A 37 3.056 14.100 3.151 1.00 0.00 H new ATOM 0 HB THR A 37 2.638 13.304 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.083 11.392 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.163 10.956 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.719 12.065 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.218 11.112 3.472 1.00 0.00 H new ATOM 577 N SER A 38 5.723 15.014 4.608 1.00 0.00 N ATOM 578 CA SER A 38 6.403 16.090 5.276 1.00 0.00 C ATOM 579 C SER A 38 6.764 17.185 4.314 1.00 0.00 C ATOM 580 O SER A 38 7.475 16.960 3.340 1.00 0.00 O ATOM 581 CB SER A 38 7.654 15.579 6.023 1.00 0.00 C ATOM 582 OG SER A 38 8.371 16.620 6.675 1.00 0.00 O ATOM 0 H SER A 38 6.343 14.293 4.238 1.00 0.00 H new ATOM 0 HA SER A 38 5.717 16.506 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.352 14.835 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.314 15.077 5.315 1.00 0.00 H new ATOM 0 HG SER A 38 9.151 16.243 7.133 1.00 0.00 H new ATOM 588 N PHE A 39 6.287 18.348 4.565 1.00 0.00 N ATOM 589 CA PHE A 39 6.728 19.477 3.829 1.00 0.00 C ATOM 590 C PHE A 39 7.752 20.165 4.657 1.00 0.00 C ATOM 591 O PHE A 39 7.421 20.853 5.628 1.00 0.00 O ATOM 592 CB PHE A 39 5.588 20.411 3.428 1.00 0.00 C ATOM 593 CG PHE A 39 4.672 19.799 2.415 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.366 19.488 2.732 1.00 0.00 C ATOM 595 CD2 PHE A 39 5.136 19.515 1.140 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.540 18.912 1.797 1.00 0.00 C ATOM 597 CE2 PHE A 39 4.316 18.940 0.202 1.00 0.00 C ATOM 598 CZ PHE A 39 3.018 18.637 0.529 1.00 0.00 C ATOM 0 H PHE A 39 5.586 18.545 5.279 1.00 0.00 H new ATOM 0 HA PHE A 39 7.157 19.153 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.015 20.680 4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.004 21.334 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.990 19.699 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.158 19.750 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.518 18.674 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.690 18.727 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.369 18.183 -0.205 1.00 0.00 H new ATOM 865 N HIS A 55 16.374 11.987 -1.235 1.00 0.00 N ATOM 866 CA HIS A 55 15.207 11.277 -0.706 1.00 0.00 C ATOM 867 C HIS A 55 14.694 10.196 -1.667 1.00 0.00 C ATOM 868 O HIS A 55 14.218 9.135 -1.248 1.00 0.00 O ATOM 869 CB HIS A 55 14.082 12.269 -0.278 1.00 0.00 C ATOM 870 CG HIS A 55 13.712 13.348 -1.289 1.00 0.00 C ATOM 871 ND1 HIS A 55 13.763 13.346 -2.638 1.00 0.00 N flip ATOM 872 CD2 HIS A 55 13.199 14.581 -0.942 1.00 0.00 C flip ATOM 873 CE1 HIS A 55 13.280 14.556 -3.127 1.00 0.00 C flip ATOM 874 NE2 HIS A 55 12.957 15.266 -2.060 1.00 0.00 N flip ATOM 0 HA HIS A 55 15.533 10.753 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.186 11.692 -0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.390 12.758 0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.023 14.932 0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.188 14.853 -4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.574 16.211 -2.088 1.00 0.00 H new ATOM 882 N LEU A 56 14.884 10.431 -2.945 1.00 0.00 N ATOM 883 CA LEU A 56 14.436 9.511 -3.958 1.00 0.00 C ATOM 884 C LEU A 56 15.517 8.493 -4.141 1.00 0.00 C ATOM 885 O LEU A 56 15.243 7.302 -4.240 1.00 0.00 O ATOM 886 CB LEU A 56 14.096 10.261 -5.276 1.00 0.00 C ATOM 887 CG LEU A 56 13.438 9.454 -6.437 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.409 8.528 -7.155 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.244 8.672 -5.932 1.00 0.00 C ATOM 0 H LEU A 56 15.351 11.262 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 56 13.515 9.012 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.430 11.087 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.019 10.699 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 56 13.109 10.190 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.885 7.998 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.222 9.115 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.817 7.808 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.798 8.116 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.566 7.977 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.507 9.360 -5.518 1.00 0.00 H new ATOM 901 N SER A 57 16.755 8.971 -4.114 1.00 0.00 N ATOM 902 CA SER A 57 17.935 8.134 -4.207 1.00 0.00 C ATOM 903 C SER A 57 17.944 7.123 -3.053 1.00 0.00 C ATOM 904 O SER A 57 18.554 6.083 -3.142 1.00 0.00 O ATOM 905 CB SER A 57 19.200 9.019 -4.163 1.00 0.00 C ATOM 906 OG SER A 57 20.384 8.286 -4.455 1.00 0.00 O ATOM 0 H SER A 57 16.966 9.965 -4.026 1.00 0.00 H new ATOM 0 HA SER A 57 17.923 7.586 -5.149 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.095 9.835 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.290 9.471 -3.175 1.00 0.00 H new ATOM 0 HG SER A 57 21.158 8.886 -4.417 1.00 0.00 H new ATOM 912 N LEU A 58 17.263 7.455 -1.981 1.00 0.00 N ATOM 913 CA LEU A 58 17.140 6.584 -0.845 1.00 0.00 C ATOM 914 C LEU A 58 15.949 5.638 -1.013 1.00 0.00 C ATOM 915 O LEU A 58 16.124 4.429 -1.011 1.00 0.00 O ATOM 916 CB LEU A 58 17.038 7.424 0.431 1.00 0.00 C ATOM 917 CG LEU A 58 18.254 8.317 0.682 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.035 9.200 1.879 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.514 7.487 0.865 1.00 0.00 C ATOM 0 H LEU A 58 16.776 8.345 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 58 18.028 5.957 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.146 8.048 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.906 6.758 1.284 1.00 0.00 H new ATOM 0 HG LEU A 58 18.384 8.950 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.914 9.825 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.165 9.834 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.867 8.582 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.363 8.148 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.390 6.820 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.695 6.897 -0.034 1.00 0.00 H new ATOM 931 N CYS A 59 14.756 6.193 -1.227 1.00 0.00 N ATOM 932 CA CYS A 59 13.523 5.382 -1.374 1.00 0.00 C ATOM 933 C CYS A 59 13.617 4.362 -2.525 1.00 0.00 C ATOM 934 O CYS A 59 13.409 3.164 -2.315 1.00 0.00 O ATOM 935 CB CYS A 59 12.311 6.303 -1.585 1.00 0.00 C ATOM 936 SG CYS A 59 10.744 5.446 -2.001 1.00 0.00 S ATOM 0 H CYS A 59 14.606 7.199 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 59 13.401 4.814 -0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.157 6.888 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.545 7.007 -2.383 1.00 0.00 H new ATOM 941 N CYS A 60 13.987 4.828 -3.711 1.00 0.00 N ATOM 942 CA CYS A 60 14.147 4.019 -4.877 1.00 0.00 C ATOM 943 C CYS A 60 15.197 2.931 -4.642 1.00 0.00 C ATOM 944 O CYS A 60 15.046 1.801 -5.080 1.00 0.00 O ATOM 945 CB CYS A 60 14.558 4.942 -6.017 1.00 0.00 C ATOM 946 SG CYS A 60 14.407 4.261 -7.642 1.00 0.00 S ATOM 0 H CYS A 60 14.187 5.815 -3.876 1.00 0.00 H new ATOM 0 HA CYS A 60 13.215 3.510 -5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.953 5.847 -5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.595 5.242 -5.863 1.00 0.00 H new ATOM 951 N ASN A 61 16.195 3.260 -3.848 1.00 0.00 N ATOM 952 CA ASN A 61 17.317 2.356 -3.581 1.00 0.00 C ATOM 953 C ASN A 61 16.934 1.352 -2.524 1.00 0.00 C ATOM 954 O ASN A 61 17.521 0.290 -2.415 1.00 0.00 O ATOM 955 CB ASN A 61 18.518 3.164 -3.140 1.00 0.00 C ATOM 956 CG ASN A 61 19.836 2.410 -2.970 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.090 1.412 -3.771 1.00 0.00 O flip ATOM 958 ND2 ASN A 61 20.652 2.780 -2.129 1.00 0.00 N flip ATOM 0 H ASN A 61 16.260 4.157 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 61 17.571 1.812 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.675 3.962 -3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.275 3.641 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.431 3.563 -1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.550 2.304 -2.046 1.00 0.00 H new ATOM 965 N GLN A 62 15.968 1.706 -1.735 1.00 0.00 N ATOM 966 CA GLN A 62 15.471 0.835 -0.720 1.00 0.00 C ATOM 967 C GLN A 62 14.513 -0.187 -1.323 1.00 0.00 C ATOM 968 O GLN A 62 14.624 -1.392 -1.063 1.00 0.00 O ATOM 969 CB GLN A 62 14.784 1.643 0.390 1.00 0.00 C ATOM 970 CG GLN A 62 14.129 0.804 1.476 1.00 0.00 C ATOM 971 CD GLN A 62 15.113 -0.025 2.272 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.629 0.419 3.295 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.374 -1.223 1.829 1.00 0.00 N ATOM 0 H GLN A 62 15.501 2.612 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 62 16.309 0.297 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.522 2.299 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.026 2.283 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.587 1.462 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.394 0.142 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.928 -1.560 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.025 -1.824 2.335 1.00 0.00 H new ATOM 982 N LEU A 63 13.614 0.295 -2.149 1.00 0.00 N ATOM 983 CA LEU A 63 12.574 -0.528 -2.735 1.00 0.00 C ATOM 984 C LEU A 63 13.157 -1.528 -3.746 1.00 0.00 C ATOM 985 O LEU A 63 12.701 -2.645 -3.849 1.00 0.00 O ATOM 986 CB LEU A 63 11.495 0.384 -3.385 1.00 0.00 C ATOM 987 CG LEU A 63 11.867 1.112 -4.676 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.650 0.245 -5.890 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.117 2.406 -4.796 1.00 0.00 C ATOM 0 H LEU A 63 13.581 1.273 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 63 12.102 -1.117 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.615 -0.227 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.201 1.133 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 63 12.932 1.339 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.926 0.799 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.267 -0.650 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.600 -0.042 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.399 2.905 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.045 2.206 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.361 3.048 -3.949 1.00 0.00 H new ATOM 1001 N GLN A 64 14.184 -1.104 -4.463 1.00 0.00 N ATOM 1002 CA GLN A 64 14.794 -1.901 -5.536 1.00 0.00 C ATOM 1003 C GLN A 64 15.531 -3.130 -4.983 1.00 0.00 C ATOM 1004 O GLN A 64 15.850 -4.068 -5.721 1.00 0.00 O ATOM 1005 CB GLN A 64 15.775 -1.042 -6.327 1.00 0.00 C ATOM 1006 CG GLN A 64 17.004 -0.701 -5.531 1.00 0.00 C ATOM 1007 CD GLN A 64 18.061 0.020 -6.305 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.791 0.793 -7.207 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.284 -0.265 -5.977 1.00 0.00 N ATOM 0 H GLN A 64 14.626 -0.195 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 64 13.990 -2.248 -6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.067 -1.570 -7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.280 -0.122 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.712 -0.087 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.429 -1.621 -5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.469 -0.918 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.060 0.164 -6.481 1.00 0.00 H new ATOM 1018 N GLU A 65 15.821 -3.111 -3.694 1.00 0.00 N ATOM 1019 CA GLU A 65 16.515 -4.211 -3.070 1.00 0.00 C ATOM 1020 C GLU A 65 15.522 -5.299 -2.699 1.00 0.00 C ATOM 1021 O GLU A 65 15.897 -6.423 -2.370 1.00 0.00 O ATOM 1022 CB GLU A 65 17.304 -3.748 -1.850 1.00 0.00 C ATOM 1023 CG GLU A 65 18.350 -2.672 -2.145 1.00 0.00 C ATOM 1024 CD GLU A 65 19.376 -3.068 -3.190 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.516 -2.372 -4.225 1.00 0.00 O ATOM 1026 OE2 GLU A 65 20.085 -4.068 -2.990 1.00 0.00 O ATOM 0 H GLU A 65 15.585 -2.344 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 65 17.233 -4.618 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.606 -3.365 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.802 -4.610 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.840 -1.768 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.869 -2.423 -1.219 1.00 0.00 H new ATOM 1033 N VAL A 66 14.257 -4.948 -2.746 1.00 0.00 N ATOM 1034 CA VAL A 66 13.182 -5.891 -2.523 1.00 0.00 C ATOM 1035 C VAL A 66 12.986 -6.686 -3.833 1.00 0.00 C ATOM 1036 O VAL A 66 13.478 -6.263 -4.895 1.00 0.00 O ATOM 1037 CB VAL A 66 11.853 -5.141 -2.158 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.763 -6.090 -1.678 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.102 -4.062 -1.125 1.00 0.00 C ATOM 0 H VAL A 66 13.942 -3.997 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 66 13.431 -6.554 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 66 11.498 -4.674 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.865 -5.521 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.537 -6.811 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.106 -6.618 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.164 -3.559 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.508 -4.512 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.814 -3.337 -1.520 1.00 0.00 H new ATOM 1049 N GLU A 67 12.306 -7.828 -3.747 1.00 0.00 N ATOM 1050 CA GLU A 67 11.988 -8.665 -4.900 1.00 0.00 C ATOM 1051 C GLU A 67 11.358 -7.849 -6.003 1.00 0.00 C ATOM 1052 O GLU A 67 10.545 -6.969 -5.732 1.00 0.00 O ATOM 1053 CB GLU A 67 11.046 -9.766 -4.471 1.00 0.00 C ATOM 1054 CG GLU A 67 11.715 -10.802 -3.623 1.00 0.00 C ATOM 1055 CD GLU A 67 10.755 -11.818 -3.072 1.00 0.00 C ATOM 1056 OE1 GLU A 67 10.464 -12.813 -3.761 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.285 -11.651 -1.929 1.00 0.00 O ATOM 0 H GLU A 67 11.957 -8.201 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 67 12.911 -9.097 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.214 -9.331 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.625 -10.243 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.476 -11.312 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.230 -10.311 -2.797 1.00 0.00 H new ATOM 1064 N LYS A 68 11.708 -8.156 -7.233 1.00 0.00 N ATOM 1065 CA LYS A 68 11.267 -7.380 -8.390 1.00 0.00 C ATOM 1066 C LYS A 68 9.759 -7.299 -8.509 1.00 0.00 C ATOM 1067 O LYS A 68 9.218 -6.280 -8.936 1.00 0.00 O ATOM 1068 CB LYS A 68 11.888 -7.886 -9.687 1.00 0.00 C ATOM 1069 CG LYS A 68 11.586 -9.323 -10.042 1.00 0.00 C ATOM 1070 CD LYS A 68 12.265 -9.704 -11.332 1.00 0.00 C ATOM 1071 CE LYS A 68 13.776 -9.701 -11.191 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.440 -10.073 -12.438 1.00 0.00 N ATOM 0 H LYS A 68 12.306 -8.949 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 68 11.626 -6.365 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.547 -7.250 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.969 -7.767 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.922 -9.980 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.509 -9.461 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.930 -10.694 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.971 -9.008 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.110 -8.710 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.069 -10.395 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.471 -10.059 -12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.141 -11.029 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.181 -9.396 -13.184 1.00 0.00 H new ATOM 1086 N GLN A 69 9.081 -8.332 -8.075 1.00 0.00 N ATOM 1087 CA GLN A 69 7.630 -8.352 -8.144 1.00 0.00 C ATOM 1088 C GLN A 69 7.010 -7.599 -6.971 1.00 0.00 C ATOM 1089 O GLN A 69 5.832 -7.277 -6.987 1.00 0.00 O ATOM 1090 CB GLN A 69 7.113 -9.782 -8.173 1.00 0.00 C ATOM 1091 CG GLN A 69 7.539 -10.634 -6.985 1.00 0.00 C ATOM 1092 CD GLN A 69 6.937 -12.023 -7.003 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.617 -12.521 -8.179 1.00 0.00 O flip ATOM 1094 NE2 GLN A 69 6.728 -12.636 -5.952 1.00 0.00 N flip ATOM 0 H GLN A 69 9.502 -9.169 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 69 7.338 -7.851 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.024 -9.760 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.458 -10.261 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.626 -10.716 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.249 -10.131 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.989 -12.220 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.294 -13.559 -5.977 1.00 0.00 H new ATOM 1103 N CYS A 70 7.818 -7.296 -5.989 1.00 0.00 N ATOM 1104 CA CYS A 70 7.353 -6.683 -4.773 1.00 0.00 C ATOM 1105 C CYS A 70 7.840 -5.230 -4.650 1.00 0.00 C ATOM 1106 O CYS A 70 7.363 -4.496 -3.809 1.00 0.00 O ATOM 1107 CB CYS A 70 7.820 -7.513 -3.584 1.00 0.00 C ATOM 1108 SG CYS A 70 7.389 -9.296 -3.692 1.00 0.00 S ATOM 0 H CYS A 70 8.823 -7.469 -6.011 1.00 0.00 H new ATOM 0 HA CYS A 70 6.264 -6.653 -4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.902 -7.418 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.385 -7.100 -2.674 1.00 0.00 H new ATOM 1113 N GLN A 71 8.795 -4.833 -5.496 1.00 0.00 N ATOM 1114 CA GLN A 71 9.315 -3.443 -5.549 1.00 0.00 C ATOM 1115 C GLN A 71 8.194 -2.460 -5.787 1.00 0.00 C ATOM 1116 O GLN A 71 8.079 -1.455 -5.108 1.00 0.00 O ATOM 1117 CB GLN A 71 10.320 -3.322 -6.671 1.00 0.00 C ATOM 1118 CG GLN A 71 11.640 -3.978 -6.385 1.00 0.00 C ATOM 1119 CD GLN A 71 12.511 -4.110 -7.605 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.412 -3.335 -8.559 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.397 -5.052 -7.567 1.00 0.00 N ATOM 0 H GLN A 71 9.237 -5.459 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 71 9.788 -3.217 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.896 -3.762 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.489 -2.266 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.170 -3.399 -5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.463 -4.968 -5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.447 -5.673 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.046 -5.174 -8.345 1.00 0.00 H new ATOM 1130 N CYS A 72 7.346 -2.769 -6.738 1.00 0.00 N ATOM 1131 CA CYS A 72 6.221 -1.921 -7.024 1.00 0.00 C ATOM 1132 C CYS A 72 5.146 -2.062 -5.981 1.00 0.00 C ATOM 1133 O CYS A 72 4.362 -1.150 -5.747 1.00 0.00 O ATOM 1134 CB CYS A 72 5.702 -2.138 -8.426 1.00 0.00 C ATOM 1135 SG CYS A 72 5.416 -3.862 -8.912 1.00 0.00 S ATOM 0 H CYS A 72 7.416 -3.601 -7.325 1.00 0.00 H new ATOM 0 HA CYS A 72 6.565 -0.888 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.765 -1.591 -8.534 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.411 -1.697 -9.127 1.00 0.00 H new ATOM 1140 N GLU A 73 5.140 -3.177 -5.320 1.00 0.00 N ATOM 1141 CA GLU A 73 4.194 -3.403 -4.271 1.00 0.00 C ATOM 1142 C GLU A 73 4.572 -2.593 -3.034 1.00 0.00 C ATOM 1143 O GLU A 73 3.708 -2.143 -2.268 1.00 0.00 O ATOM 1144 CB GLU A 73 4.075 -4.874 -3.940 1.00 0.00 C ATOM 1145 CG GLU A 73 3.609 -5.717 -5.111 1.00 0.00 C ATOM 1146 CD GLU A 73 2.367 -5.155 -5.798 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.419 -4.679 -5.107 1.00 0.00 O ATOM 1148 OE2 GLU A 73 2.299 -5.191 -7.037 1.00 0.00 O ATOM 0 H GLU A 73 5.784 -3.950 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 73 3.217 -3.069 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.043 -5.242 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.377 -4.998 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.416 -5.794 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.398 -6.728 -4.762 1.00 0.00 H new ATOM 1155 N ALA A 74 5.868 -2.358 -2.872 1.00 0.00 N ATOM 1156 CA ALA A 74 6.381 -1.556 -1.793 1.00 0.00 C ATOM 1157 C ALA A 74 5.885 -0.130 -1.939 1.00 0.00 C ATOM 1158 O ALA A 74 5.748 0.595 -0.971 1.00 0.00 O ATOM 1159 CB ALA A 74 7.897 -1.605 -1.780 1.00 0.00 C ATOM 0 H ALA A 74 6.588 -2.725 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 74 6.023 -1.953 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.274 -0.994 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.227 -2.635 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.282 -1.220 -2.725 1.00 0.00 H new ATOM 1165 N ILE A 75 5.534 0.224 -3.166 1.00 0.00 N ATOM 1166 CA ILE A 75 5.036 1.536 -3.480 1.00 0.00 C ATOM 1167 C ILE A 75 3.624 1.680 -2.943 1.00 0.00 C ATOM 1168 O ILE A 75 3.204 2.763 -2.547 1.00 0.00 O ATOM 1169 CB ILE A 75 4.996 1.761 -5.007 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.356 1.463 -5.648 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.528 3.158 -5.344 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.523 2.192 -5.043 1.00 0.00 C ATOM 0 H ILE A 75 5.590 -0.401 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 75 5.702 2.269 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 75 4.272 1.061 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.544 0.391 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.302 1.712 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.511 3.285 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.526 3.312 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.210 3.886 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.437 1.913 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.367 3.267 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.612 1.926 -3.990 1.00 0.00 H new ATOM 1184 N LYS A 76 2.922 0.556 -2.842 1.00 0.00 N ATOM 1185 CA LYS A 76 1.517 0.583 -2.441 1.00 0.00 C ATOM 1186 C LYS A 76 1.518 0.894 -0.977 1.00 0.00 C ATOM 1187 O LYS A 76 0.765 1.746 -0.471 1.00 0.00 O ATOM 1188 CB LYS A 76 0.871 -0.797 -2.657 1.00 0.00 C ATOM 1189 CG LYS A 76 1.059 -1.393 -4.049 1.00 0.00 C ATOM 1190 CD LYS A 76 0.346 -0.616 -5.128 1.00 0.00 C ATOM 1191 CE LYS A 76 0.541 -1.276 -6.487 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.054 -2.685 -6.521 1.00 0.00 N ATOM 0 H LYS A 76 3.295 -0.375 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 76 0.956 1.314 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.282 -1.491 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.197 -0.716 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.123 -1.431 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.696 -2.421 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.718 -0.556 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.724 0.406 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.015 -0.696 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.599 -1.256 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.086 -3.040 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.661 -3.277 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.924 -2.723 -6.171 1.00 0.00 H new ATOM 1206 N GLN A 77 2.466 0.252 -0.348 1.00 0.00 N ATOM 1207 CA GLN A 77 2.738 0.331 1.061 1.00 0.00 C ATOM 1208 C GLN A 77 2.985 1.762 1.462 1.00 0.00 C ATOM 1209 O GLN A 77 2.372 2.246 2.414 1.00 0.00 O ATOM 1210 CB GLN A 77 3.968 -0.493 1.345 1.00 0.00 C ATOM 1211 CG GLN A 77 3.831 -1.930 0.882 1.00 0.00 C ATOM 1212 CD GLN A 77 2.916 -2.747 1.758 1.00 0.00 C ATOM 1213 OE1 GLN A 77 1.717 -2.829 1.510 1.00 0.00 O ATOM 1214 NE2 GLN A 77 3.447 -3.347 2.790 1.00 0.00 N ATOM 0 H GLN A 77 3.106 -0.376 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 77 1.886 -0.044 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.827 -0.037 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.170 -0.479 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.452 -1.942 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.817 -2.395 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.447 -3.261 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.861 -3.902 3.415 1.00 0.00 H new ATOM 1223 N VAL A 78 3.848 2.456 0.686 1.00 0.00 N ATOM 1224 CA VAL A 78 4.181 3.850 0.966 1.00 0.00 C ATOM 1225 C VAL A 78 2.915 4.681 1.007 1.00 0.00 C ATOM 1226 O VAL A 78 2.706 5.459 1.925 1.00 0.00 O ATOM 1227 CB VAL A 78 5.099 4.517 -0.103 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.569 5.880 0.370 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.264 3.657 -0.485 1.00 0.00 C ATOM 0 H VAL A 78 4.318 2.067 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 78 4.712 3.826 1.917 1.00 0.00 H new ATOM 0 HB VAL A 78 4.495 4.643 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.208 6.328 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.706 6.523 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.131 5.769 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.868 4.173 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.872 3.456 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.901 2.716 -0.898 1.00 0.00 H new ATOM 1239 N VAL A 79 2.035 4.454 0.034 1.00 0.00 N ATOM 1240 CA VAL A 79 0.845 5.265 -0.099 1.00 0.00 C ATOM 1241 C VAL A 79 -0.076 4.999 1.064 1.00 0.00 C ATOM 1242 O VAL A 79 -0.633 5.921 1.655 1.00 0.00 O ATOM 1243 CB VAL A 79 0.076 4.977 -1.411 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.078 5.954 -1.577 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.003 5.026 -2.611 1.00 0.00 C ATOM 0 H VAL A 79 2.130 3.718 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 79 1.167 6.306 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.333 3.969 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.608 5.737 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.764 5.854 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.691 6.972 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.435 4.820 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.454 6.016 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.787 4.278 -2.496 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.193 3.741 1.404 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.057 3.291 2.462 1.00 0.00 C ATOM 1257 C GLU A 80 -0.628 3.894 3.800 1.00 0.00 C ATOM 1258 O GLU A 80 -1.416 4.559 4.467 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.036 1.767 2.524 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.004 1.166 3.518 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.944 -0.333 3.523 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.395 -0.957 2.544 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.470 -0.920 4.510 1.00 0.00 O ATOM 0 H GLU A 80 0.319 2.988 0.944 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.075 3.623 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.261 1.373 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.027 1.440 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.779 1.541 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.017 1.488 3.278 1.00 0.00 H new ATOM 1270 N GLN A 81 0.635 3.733 4.143 1.00 0.00 N ATOM 1271 CA GLN A 81 1.128 4.197 5.429 1.00 0.00 C ATOM 1272 C GLN A 81 1.211 5.724 5.490 1.00 0.00 C ATOM 1273 O GLN A 81 1.032 6.327 6.558 1.00 0.00 O ATOM 1274 CB GLN A 81 2.479 3.569 5.753 1.00 0.00 C ATOM 1275 CG GLN A 81 3.565 3.904 4.749 1.00 0.00 C ATOM 1276 CD GLN A 81 4.884 3.263 5.052 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.629 2.955 4.159 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.194 3.079 6.310 1.00 0.00 N ATOM 0 H GLN A 81 1.337 3.287 3.553 1.00 0.00 H new ATOM 0 HA GLN A 81 0.410 3.879 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.796 3.901 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.364 2.486 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.239 3.592 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.696 4.986 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.538 3.352 7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.091 2.663 6.558 1.00 0.00 H new ATOM 1287 N ALA A 82 1.465 6.352 4.363 1.00 0.00 N ATOM 1288 CA ALA A 82 1.580 7.791 4.326 1.00 0.00 C ATOM 1289 C ALA A 82 0.226 8.445 4.470 1.00 0.00 C ATOM 1290 O ALA A 82 0.083 9.418 5.207 1.00 0.00 O ATOM 1291 CB ALA A 82 2.279 8.255 3.060 1.00 0.00 C ATOM 0 H ALA A 82 1.595 5.890 3.463 1.00 0.00 H new ATOM 0 HA ALA A 82 2.193 8.098 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.350 9.343 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.280 7.826 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.709 7.930 2.190 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.776 7.885 3.814 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.097 8.463 3.869 1.00 0.00 C ATOM 1299 C GLN A 83 -2.693 8.266 5.238 1.00 0.00 C ATOM 1300 O GLN A 83 -3.255 9.189 5.801 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.038 7.903 2.778 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.410 6.441 2.934 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.283 5.945 1.828 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.673 5.444 0.797 1.00 0.00 O flip ATOM 1305 NE2 GLN A 83 -5.506 6.012 1.909 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.697 7.042 3.246 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.991 9.530 3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.953 8.495 2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.563 8.039 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.501 5.841 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.922 6.301 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.941 6.414 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.087 5.665 1.146 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.493 7.072 5.806 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.084 6.735 7.081 1.00 0.00 C ATOM 1316 C LYS A 84 -2.528 7.593 8.185 1.00 0.00 C ATOM 1317 O LYS A 84 -3.260 8.028 9.062 1.00 0.00 O ATOM 1318 CB LYS A 84 -2.985 5.198 7.391 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.581 4.594 7.581 1.00 0.00 C ATOM 1320 CD LYS A 84 -0.985 4.877 8.945 1.00 0.00 C ATOM 1321 CE LYS A 84 0.358 4.187 9.131 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.955 4.488 10.448 1.00 0.00 N ATOM 0 H LYS A 84 -1.925 6.332 5.394 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.149 6.956 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.560 5.001 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.474 4.660 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.634 3.515 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.916 4.989 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.861 5.953 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.675 4.543 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.230 3.109 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.041 4.503 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.869 3.999 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.101 5.514 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.316 4.163 11.201 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.242 7.913 8.089 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.595 8.634 9.142 1.00 0.00 C ATOM 1338 C GLN A 85 -1.068 10.085 9.169 1.00 0.00 C ATOM 1339 O GLN A 85 -1.203 10.684 10.232 1.00 0.00 O ATOM 1340 CB GLN A 85 0.937 8.539 9.038 1.00 0.00 C ATOM 1341 CG GLN A 85 1.583 9.481 8.045 1.00 0.00 C ATOM 1342 CD GLN A 85 3.086 9.494 8.143 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.738 9.833 7.079 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.658 9.253 9.200 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.645 7.681 7.295 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.876 8.171 10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.363 8.730 10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.203 7.517 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.292 9.192 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.204 10.490 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.118 8.988 10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.674 9.318 9.256 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.357 10.630 8.008 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.806 11.996 7.928 1.00 0.00 C ATOM 1355 C LEU A 86 -3.292 12.101 8.161 1.00 0.00 C ATOM 1356 O LEU A 86 -3.749 13.002 8.886 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.362 12.652 6.612 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.130 13.568 6.700 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.466 14.795 7.504 1.00 0.00 C ATOM 1360 CD2 LEU A 86 1.043 12.857 7.347 1.00 0.00 C ATOM 0 H LEU A 86 -1.289 10.148 7.112 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.328 12.557 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.154 11.864 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.196 13.234 6.219 1.00 0.00 H new ATOM 0 HG LEU A 86 0.152 13.848 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.409 15.442 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.282 15.333 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.769 14.500 8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.897 13.533 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.770 12.548 8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.307 11.979 6.757 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.029 11.142 7.620 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.484 11.076 7.729 1.00 0.00 C ATOM 1374 C GLN A 87 -5.924 11.047 9.191 1.00 0.00 C ATOM 1375 O GLN A 87 -6.886 11.720 9.573 1.00 0.00 O ATOM 1376 CB GLN A 87 -5.997 9.823 7.019 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.510 9.676 6.972 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.928 8.368 6.337 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.223 7.820 5.487 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -9.055 7.855 6.729 1.00 0.00 N ATOM 0 H GLN A 87 -3.628 10.373 7.083 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.902 11.966 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.617 9.823 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.579 8.947 7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.912 9.734 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.939 10.506 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.615 8.334 7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.380 6.974 6.331 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.211 10.295 10.006 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.573 10.166 11.413 1.00 0.00 C ATOM 1391 C GLN A 88 -4.870 11.217 12.246 1.00 0.00 C ATOM 1392 O GLN A 88 -5.161 11.396 13.432 1.00 0.00 O ATOM 1393 CB GLN A 88 -5.235 8.773 11.947 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.745 8.466 12.048 1.00 0.00 C ATOM 1395 CD GLN A 88 -3.462 7.042 12.479 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -4.339 6.466 13.250 1.00 0.00 O flip ATOM 1397 NE2 GLN A 88 -2.441 6.465 12.116 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.384 9.767 9.727 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.650 10.314 11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.682 8.661 12.935 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.701 8.029 11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.276 8.647 11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.285 9.153 12.759 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.773 6.943 11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.261 5.508 12.419 1.00 0.00 H new ATOM 1406 N GLY A 89 -3.962 11.911 11.626 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.184 12.884 12.320 1.00 0.00 C ATOM 1408 C GLY A 89 -3.812 14.252 12.307 1.00 0.00 C ATOM 1409 O GLY A 89 -4.457 14.659 13.279 1.00 0.00 O ATOM 0 H GLY A 89 -3.744 11.817 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.046 12.563 13.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.194 12.940 11.868 1.00 0.00 H new ATOM 1413 N GLN A 90 -3.664 14.943 11.201 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.104 16.335 11.106 1.00 0.00 C ATOM 1415 C GLN A 90 -4.909 16.620 9.843 1.00 0.00 C ATOM 1416 O GLN A 90 -5.560 17.670 9.720 1.00 0.00 O ATOM 1417 CB GLN A 90 -2.875 17.238 11.150 1.00 0.00 C ATOM 1418 CG GLN A 90 -1.820 16.909 10.089 1.00 0.00 C ATOM 1419 CD GLN A 90 -0.585 17.792 10.164 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -0.656 18.953 10.561 1.00 0.00 O ATOM 1421 NE2 GLN A 90 0.557 17.241 9.819 1.00 0.00 N ATOM 0 H GLN A 90 -3.243 14.573 10.349 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.767 16.533 11.948 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.193 18.273 11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.418 17.164 12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.519 15.867 10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.268 17.008 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.579 16.275 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.421 17.780 9.877 1.00 0.00 H new ATOM 1430 N GLY A 91 -4.872 15.701 8.945 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.463 15.881 7.656 1.00 0.00 C ATOM 1432 C GLY A 91 -4.367 15.793 6.665 1.00 0.00 C ATOM 1433 O GLY A 91 -3.857 14.711 6.426 1.00 0.00 O ATOM 0 H GLY A 91 -4.428 14.793 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.217 15.117 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.965 16.847 7.592 1.00 0.00 H new ATOM 1437 N GLY A 92 -3.979 16.908 6.091 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.825 16.939 5.253 1.00 0.00 C ATOM 1439 C GLY A 92 -3.026 16.381 3.874 1.00 0.00 C ATOM 1440 O GLY A 92 -2.501 16.915 2.955 1.00 0.00 O ATOM 0 H GLY A 92 -4.455 17.804 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.486 17.971 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.025 16.382 5.741 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.797 15.341 3.731 1.00 0.00 N ATOM 1445 CA GLN A 93 -3.995 14.658 2.450 1.00 0.00 C ATOM 1446 C GLN A 93 -4.408 15.565 1.279 1.00 0.00 C ATOM 1447 O GLN A 93 -4.228 15.201 0.128 1.00 0.00 O ATOM 1448 CB GLN A 93 -4.910 13.450 2.596 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.279 12.334 3.415 1.00 0.00 C ATOM 1450 CD GLN A 93 -2.899 11.955 2.887 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -1.886 12.495 3.314 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -2.854 11.062 1.937 1.00 0.00 N ATOM 0 H GLN A 93 -4.320 14.925 4.501 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.003 14.304 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.842 13.760 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.165 13.070 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.196 12.649 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.928 11.458 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.715 10.630 1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.958 10.796 1.529 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.949 16.724 1.567 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.264 17.694 0.528 1.00 0.00 C ATOM 1463 C GLN A 94 -3.995 18.460 0.086 1.00 0.00 C ATOM 1464 O GLN A 94 -3.789 18.714 -1.093 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.315 18.681 1.017 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.911 19.428 2.267 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.902 20.479 2.650 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.852 20.215 3.379 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.690 21.673 2.183 1.00 0.00 N ATOM 0 H GLN A 94 -5.184 17.026 2.513 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.660 17.148 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.521 19.401 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.244 18.144 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.800 18.721 3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.937 19.891 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.887 21.849 1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.327 22.434 2.420 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.151 18.796 1.050 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.937 19.568 0.815 1.00 0.00 C ATOM 1480 C GLN A 95 -0.791 18.641 0.417 1.00 0.00 C ATOM 1481 O GLN A 95 0.014 18.953 -0.443 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.588 20.408 2.064 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.393 19.613 3.330 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.131 20.458 4.545 1.00 0.00 C ATOM 1485 OE1 GLN A 95 0.009 20.760 4.866 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -2.170 20.831 5.241 1.00 0.00 N ATOM 0 H GLN A 95 -3.290 18.539 2.027 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.104 20.259 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.677 20.971 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.383 21.136 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.281 19.006 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.559 18.925 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.107 20.560 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.045 21.393 6.083 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.763 17.506 1.067 1.00 0.00 N ATOM 1496 CA VAL A 96 0.180 16.419 0.837 1.00 0.00 C ATOM 1497 C VAL A 96 -0.092 15.746 -0.506 1.00 0.00 C ATOM 1498 O VAL A 96 0.799 15.132 -1.074 1.00 0.00 O ATOM 1499 CB VAL A 96 0.112 15.372 2.010 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.963 14.149 1.746 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.533 16.012 3.323 1.00 0.00 C ATOM 0 H VAL A 96 -1.428 17.295 1.811 1.00 0.00 H new ATOM 0 HA VAL A 96 1.187 16.836 0.810 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.926 15.045 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.880 13.460 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.619 13.656 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.004 14.449 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.479 15.272 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.555 16.380 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.134 16.843 3.553 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.325 15.887 -1.008 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.763 15.255 -2.283 1.00 0.00 C ATOM 1513 C GLN A 97 -0.741 15.427 -3.422 1.00 0.00 C ATOM 1514 O GLN A 97 -0.426 14.470 -4.134 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.103 15.815 -2.720 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.655 15.171 -3.978 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.005 15.724 -4.362 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.787 16.137 -3.512 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.286 15.759 -5.634 1.00 0.00 N ATOM 0 H GLN A 97 -2.053 16.438 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.851 14.187 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.822 15.685 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.001 16.887 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.955 15.326 -4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.736 14.095 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.613 15.407 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.179 16.138 -5.949 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.217 16.632 -3.563 1.00 0.00 N ATOM 1529 CA GLN A 98 0.785 16.954 -4.583 1.00 0.00 C ATOM 1530 C GLN A 98 2.057 16.107 -4.429 1.00 0.00 C ATOM 1531 O GLN A 98 2.744 15.817 -5.405 1.00 0.00 O ATOM 1532 CB GLN A 98 1.156 18.438 -4.499 1.00 0.00 C ATOM 1533 CG GLN A 98 1.700 18.844 -3.134 1.00 0.00 C ATOM 1534 CD GLN A 98 2.070 20.301 -3.030 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.480 20.934 -4.007 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.890 20.854 -1.871 1.00 0.00 N ATOM 0 H GLN A 98 -0.471 17.424 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 98 0.344 16.729 -5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.901 18.663 -5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.276 19.039 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.953 18.614 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.579 18.240 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.550 20.297 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.089 21.846 -1.743 1.00 0.00 H new ATOM 1545 N MET A 99 2.345 15.691 -3.221 1.00 0.00 N ATOM 1546 CA MET A 99 3.573 14.992 -2.941 1.00 0.00 C ATOM 1547 C MET A 99 3.326 13.519 -2.957 1.00 0.00 C ATOM 1548 O MET A 99 4.045 12.783 -3.601 1.00 0.00 O ATOM 1549 CB MET A 99 4.119 15.411 -1.590 1.00 0.00 C ATOM 1550 CG MET A 99 5.631 15.384 -1.495 1.00 0.00 C ATOM 1551 SD MET A 99 6.436 16.518 -2.650 1.00 0.00 S ATOM 1552 CE MET A 99 8.159 16.242 -2.246 1.00 0.00 C ATOM 0 H MET A 99 1.740 15.826 -2.411 1.00 0.00 H new ATOM 0 HA MET A 99 4.307 15.243 -3.707 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.770 16.419 -1.367 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.706 14.754 -0.824 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.930 15.639 -0.478 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.983 14.370 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.787 16.859 -2.889 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.335 16.507 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.405 15.191 -2.400 1.00 0.00 H new ATOM 1562 N VAL A 100 2.288 13.093 -2.272 1.00 0.00 N ATOM 1563 CA VAL A 100 1.941 11.676 -2.217 1.00 0.00 C ATOM 1564 C VAL A 100 1.638 11.111 -3.619 1.00 0.00 C ATOM 1565 O VAL A 100 1.879 9.943 -3.888 1.00 0.00 O ATOM 1566 CB VAL A 100 0.782 11.364 -1.210 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.489 12.102 -1.563 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.520 9.872 -1.130 1.00 0.00 C ATOM 0 H VAL A 100 1.664 13.702 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 100 2.823 11.164 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 100 1.107 11.716 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.266 11.856 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.303 13.176 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.816 11.807 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.289 9.682 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.238 9.499 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.422 9.362 -0.794 1.00 0.00 H new ATOM 1578 N LYS A 101 1.169 11.961 -4.529 1.00 0.00 N ATOM 1579 CA LYS A 101 0.902 11.527 -5.889 1.00 0.00 C ATOM 1580 C LYS A 101 2.193 11.070 -6.593 1.00 0.00 C ATOM 1581 O LYS A 101 2.148 10.241 -7.497 1.00 0.00 O ATOM 1582 CB LYS A 101 0.152 12.619 -6.680 1.00 0.00 C ATOM 1583 CG LYS A 101 0.962 13.834 -7.133 1.00 0.00 C ATOM 1584 CD LYS A 101 1.622 13.599 -8.490 1.00 0.00 C ATOM 1585 CE LYS A 101 2.323 14.838 -9.018 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.860 14.617 -10.378 1.00 0.00 N ATOM 0 H LYS A 101 0.969 12.945 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 101 0.245 10.658 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.285 12.156 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.675 12.974 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.309 14.705 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.727 14.059 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.343 12.786 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.866 13.280 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.624 15.674 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.135 15.113 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.333 15.482 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.545 13.834 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.081 14.379 -11.024 1.00 0.00 H new ATOM 1600 N LYS A 102 3.343 11.590 -6.137 1.00 0.00 N ATOM 1601 CA LYS A 102 4.644 11.213 -6.674 1.00 0.00 C ATOM 1602 C LYS A 102 4.938 9.751 -6.400 1.00 0.00 C ATOM 1603 O LYS A 102 5.678 9.120 -7.139 1.00 0.00 O ATOM 1604 CB LYS A 102 5.728 12.080 -6.074 1.00 0.00 C ATOM 1605 CG LYS A 102 5.687 13.529 -6.526 1.00 0.00 C ATOM 1606 CD LYS A 102 6.485 14.421 -5.590 1.00 0.00 C ATOM 1607 CE LYS A 102 7.935 13.984 -5.431 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.726 14.130 -6.676 1.00 0.00 N ATOM 0 H LYS A 102 3.389 12.281 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 102 4.624 11.364 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.644 12.047 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.699 11.658 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.087 13.608 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.653 13.871 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.460 15.444 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.006 14.429 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.401 14.572 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.961 12.942 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.703 13.817 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.302 13.548 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.728 15.127 -6.971 1.00 0.00 H new ATOM 1622 N ALA A 103 4.325 9.212 -5.347 1.00 0.00 N ATOM 1623 CA ALA A 103 4.469 7.794 -5.015 1.00 0.00 C ATOM 1624 C ALA A 103 3.962 6.937 -6.162 1.00 0.00 C ATOM 1625 O ALA A 103 4.548 5.940 -6.512 1.00 0.00 O ATOM 1626 CB ALA A 103 3.713 7.441 -3.746 1.00 0.00 C ATOM 0 H ALA A 103 3.724 9.735 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 103 5.528 7.598 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.842 6.381 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.101 8.031 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.653 7.658 -3.882 1.00 0.00 H new ATOM 1632 N GLN A 104 2.917 7.400 -6.805 1.00 0.00 N ATOM 1633 CA GLN A 104 2.290 6.668 -7.894 1.00 0.00 C ATOM 1634 C GLN A 104 3.174 6.723 -9.153 1.00 0.00 C ATOM 1635 O GLN A 104 3.003 5.954 -10.098 1.00 0.00 O ATOM 1636 CB GLN A 104 0.903 7.251 -8.179 1.00 0.00 C ATOM 1637 CG GLN A 104 0.028 7.372 -6.933 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.376 7.846 -7.236 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.577 9.135 -7.234 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -2.272 7.045 -7.475 1.00 0.00 N flip ATOM 0 H GLN A 104 2.473 8.293 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 104 2.177 5.623 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.017 8.236 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.396 6.622 -8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.022 6.403 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.496 8.065 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.077 6.044 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.213 7.379 -7.682 1.00 0.00 H new ATOM 1649 N MET A 105 4.105 7.648 -9.152 1.00 0.00 N ATOM 1650 CA MET A 105 5.017 7.865 -10.267 1.00 0.00 C ATOM 1651 C MET A 105 6.288 7.067 -10.059 1.00 0.00 C ATOM 1652 O MET A 105 7.061 6.849 -10.990 1.00 0.00 O ATOM 1653 CB MET A 105 5.376 9.325 -10.336 1.00 0.00 C ATOM 1654 CG MET A 105 4.159 10.226 -10.284 1.00 0.00 C ATOM 1655 SD MET A 105 4.552 11.989 -10.265 1.00 0.00 S ATOM 1656 CE MET A 105 5.458 12.160 -11.802 1.00 0.00 C ATOM 0 H MET A 105 4.258 8.283 -8.369 1.00 0.00 H new ATOM 0 HA MET A 105 4.531 7.548 -11.190 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.042 9.571 -9.509 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.927 9.517 -11.257 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.526 10.014 -11.146 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.578 9.984 -9.394 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.187 13.101 -12.281 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.528 12.153 -11.596 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.211 11.331 -12.464 1.00 0.00 H new ATOM 1666 N LEU A 106 6.485 6.617 -8.831 1.00 0.00 N ATOM 1667 CA LEU A 106 7.681 5.865 -8.433 1.00 0.00 C ATOM 1668 C LEU A 106 7.923 4.630 -9.299 1.00 0.00 C ATOM 1669 O LEU A 106 9.047 4.420 -9.742 1.00 0.00 O ATOM 1670 CB LEU A 106 7.663 5.491 -6.951 1.00 0.00 C ATOM 1671 CG LEU A 106 7.727 6.643 -5.959 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.650 6.126 -4.534 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.988 7.456 -6.154 1.00 0.00 C ATOM 0 H LEU A 106 5.820 6.760 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 106 8.519 6.543 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.755 4.921 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.505 4.826 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 106 6.870 7.291 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.697 6.965 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.712 5.590 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.486 5.452 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.009 8.273 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.859 6.818 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.005 7.864 -7.165 1.00 0.00 H new ATOM 1685 N PRO A 107 6.891 3.777 -9.572 1.00 0.00 N ATOM 1686 CA PRO A 107 7.051 2.644 -10.472 1.00 0.00 C ATOM 1687 C PRO A 107 7.487 3.051 -11.876 1.00 0.00 C ATOM 1688 O PRO A 107 8.079 2.251 -12.597 1.00 0.00 O ATOM 1689 CB PRO A 107 5.680 1.964 -10.494 1.00 0.00 C ATOM 1690 CG PRO A 107 4.738 2.957 -9.916 1.00 0.00 C ATOM 1691 CD PRO A 107 5.543 3.781 -8.967 1.00 0.00 C ATOM 0 HA PRO A 107 7.844 1.982 -10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.392 1.694 -11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.688 1.044 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.298 3.578 -10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.915 2.461 -9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.146 4.792 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.550 3.350 -7.966 1.00 0.00 H new ATOM 1699 N ASN A 108 7.240 4.285 -12.255 1.00 0.00 N ATOM 1700 CA ASN A 108 7.630 4.743 -13.530 1.00 0.00 C ATOM 1701 C ASN A 108 9.080 5.203 -13.463 1.00 0.00 C ATOM 1702 O ASN A 108 9.917 4.788 -14.262 1.00 0.00 O ATOM 1703 CB ASN A 108 6.725 5.894 -13.963 1.00 0.00 C ATOM 1704 CG ASN A 108 5.257 5.511 -14.116 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.918 4.361 -14.401 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.378 6.465 -13.956 1.00 0.00 N ATOM 0 H ASN A 108 6.765 4.980 -11.678 1.00 0.00 H new ATOM 0 HA ASN A 108 7.539 3.939 -14.261 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.805 6.699 -13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.087 6.289 -14.912 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.384 6.266 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.686 7.408 -13.720 1.00 0.00 H new ATOM 1713 N GLN A 109 9.376 5.998 -12.449 1.00 0.00 N ATOM 1714 CA GLN A 109 10.697 6.604 -12.262 1.00 0.00 C ATOM 1715 C GLN A 109 11.760 5.567 -11.914 1.00 0.00 C ATOM 1716 O GLN A 109 12.830 5.527 -12.516 1.00 0.00 O ATOM 1717 CB GLN A 109 10.625 7.688 -11.189 1.00 0.00 C ATOM 1718 CG GLN A 109 9.714 8.846 -11.565 1.00 0.00 C ATOM 1719 CD GLN A 109 9.586 9.886 -10.475 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.658 9.581 -9.281 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.423 11.115 -10.869 1.00 0.00 N ATOM 0 H GLN A 109 8.705 6.247 -11.722 1.00 0.00 H new ATOM 0 HA GLN A 109 10.994 7.056 -13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.272 7.245 -10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.628 8.070 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.097 9.322 -12.468 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.724 8.457 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.368 11.328 -11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.350 11.865 -10.182 1.00 0.00 H new ATOM 1730 N CYS A 110 11.446 4.706 -10.975 1.00 0.00 N ATOM 1731 CA CYS A 110 12.358 3.665 -10.553 1.00 0.00 C ATOM 1732 C CYS A 110 12.336 2.470 -11.481 1.00 0.00 C ATOM 1733 O CYS A 110 13.053 1.495 -11.258 1.00 0.00 O ATOM 1734 CB CYS A 110 12.095 3.287 -9.102 1.00 0.00 C ATOM 1735 SG CYS A 110 12.472 4.635 -8.013 1.00 0.00 S ATOM 0 H CYS A 110 10.553 4.706 -10.482 1.00 0.00 H new ATOM 0 HA CYS A 110 13.372 4.060 -10.613 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.051 2.999 -8.981 1.00 0.00 H new ATOM 0 HB3 CYS A 110 12.698 2.419 -8.834 1.00 0.00 H new ATOM 1740 N ASN A 111 11.528 2.585 -12.541 1.00 0.00 N ATOM 1741 CA ASN A 111 11.391 1.573 -13.582 1.00 0.00 C ATOM 1742 C ASN A 111 11.061 0.235 -12.982 1.00 0.00 C ATOM 1743 O ASN A 111 11.853 -0.706 -12.968 1.00 0.00 O ATOM 1744 CB ASN A 111 12.613 1.521 -14.510 1.00 0.00 C ATOM 1745 CG ASN A 111 12.470 0.502 -15.633 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.360 0.173 -16.065 1.00 0.00 O ATOM 1747 ND2 ASN A 111 13.579 0.019 -16.126 1.00 0.00 N ATOM 0 H ASN A 111 10.940 3.404 -12.698 1.00 0.00 H new ATOM 0 HA ASN A 111 10.553 1.861 -14.218 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.775 2.508 -14.942 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.498 1.281 -13.921 1.00 0.00 H new ATOM 0 HD21 ASN A 111 13.546 -0.653 -16.893 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.478 0.314 -15.744 1.00 0.00 H new ATOM 1754 N LEU A 112 9.929 0.208 -12.397 1.00 0.00 N ATOM 1755 CA LEU A 112 9.435 -0.947 -11.744 1.00 0.00 C ATOM 1756 C LEU A 112 8.486 -1.647 -12.663 1.00 0.00 C ATOM 1757 O LEU A 112 7.930 -1.027 -13.575 1.00 0.00 O ATOM 1758 CB LEU A 112 8.765 -0.560 -10.424 1.00 0.00 C ATOM 1759 CG LEU A 112 9.652 0.260 -9.476 1.00 0.00 C ATOM 1760 CD1 LEU A 112 8.942 0.573 -8.167 1.00 0.00 C ATOM 1761 CD2 LEU A 112 10.969 -0.458 -9.227 1.00 0.00 C ATOM 0 H LEU A 112 9.299 1.009 -12.355 1.00 0.00 H new ATOM 0 HA LEU A 112 10.253 -1.626 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.863 0.012 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.450 -1.469 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 112 9.864 1.213 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.603 1.154 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.038 1.147 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.675 -0.358 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.586 0.137 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.773 -1.431 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.493 -0.595 -10.173 1.00 0.00 H new ATOM 1773 N GLN A 113 8.283 -2.912 -12.425 1.00 0.00 N ATOM 1774 CA GLN A 113 7.466 -3.771 -13.277 1.00 0.00 C ATOM 1775 C GLN A 113 5.991 -3.598 -12.971 1.00 0.00 C ATOM 1776 O GLN A 113 5.222 -4.557 -12.922 1.00 0.00 O ATOM 1777 CB GLN A 113 7.905 -5.206 -13.088 1.00 0.00 C ATOM 1778 CG GLN A 113 9.391 -5.367 -13.300 1.00 0.00 C ATOM 1779 CD GLN A 113 9.896 -6.779 -13.111 1.00 0.00 C ATOM 1780 OE1 GLN A 113 11.034 -6.984 -12.695 1.00 0.00 O ATOM 1781 NE2 GLN A 113 9.087 -7.752 -13.430 1.00 0.00 N ATOM 0 H GLN A 113 8.682 -3.397 -11.621 1.00 0.00 H new ATOM 0 HA GLN A 113 7.607 -3.489 -14.320 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.643 -5.538 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.366 -5.847 -13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.640 -5.036 -14.308 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.918 -4.709 -12.609 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.149 -7.544 -13.772 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.393 -8.721 -13.337 1.00 0.00 H new ATOM 1790 N CYS A 114 5.623 -2.373 -12.850 1.00 0.00 N ATOM 1791 CA CYS A 114 4.321 -1.930 -12.506 1.00 0.00 C ATOM 1792 C CYS A 114 4.224 -0.474 -12.943 1.00 0.00 C ATOM 1793 O CYS A 114 5.252 0.190 -13.098 1.00 0.00 O ATOM 1794 CB CYS A 114 4.149 -2.016 -10.996 1.00 0.00 C ATOM 1795 SG CYS A 114 3.912 -3.692 -10.270 1.00 0.00 S ATOM 0 H CYS A 114 6.271 -1.599 -13.000 1.00 0.00 H new ATOM 0 HA CYS A 114 3.553 -2.538 -12.985 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.026 -1.567 -10.530 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.291 -1.403 -10.718 1.00 0.00 H new ATOM 1800 N SER A 115 3.042 0.004 -13.192 1.00 0.00 N ATOM 1801 CA SER A 115 2.809 1.381 -13.555 1.00 0.00 C ATOM 1802 C SER A 115 1.426 1.765 -13.063 1.00 0.00 C ATOM 1803 O SER A 115 0.493 0.970 -13.172 1.00 0.00 O ATOM 1804 CB SER A 115 2.906 1.555 -15.077 1.00 0.00 C ATOM 1805 OG SER A 115 4.179 1.115 -15.559 1.00 0.00 O ATOM 0 H SER A 115 2.192 -0.558 -13.149 1.00 0.00 H new ATOM 0 HA SER A 115 3.561 2.025 -13.100 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.112 0.988 -15.564 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.756 2.603 -15.338 1.00 0.00 H new ATOM 0 HG SER A 115 4.219 1.233 -16.531 1.00 0.00 H new ATOM 1811 N ILE A 116 1.299 2.934 -12.487 1.00 0.00 N ATOM 1812 CA ILE A 116 0.022 3.364 -11.973 1.00 0.00 C ATOM 1813 C ILE A 116 -0.606 4.277 -13.006 1.00 0.00 C ATOM 1814 O ILE A 116 -1.393 3.797 -13.844 1.00 0.00 O ATOM 1815 CB ILE A 116 0.158 4.123 -10.613 1.00 0.00 C ATOM 1816 CG1 ILE A 116 0.990 3.315 -9.590 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -1.221 4.459 -10.034 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.435 1.952 -9.233 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.249 5.468 -13.040 1.00 0.00 O ATOM 0 H ILE A 116 2.059 3.602 -12.362 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.597 2.487 -11.786 1.00 0.00 H new ATOM 0 HB ILE A 116 0.688 5.054 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.997 3.186 -9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.081 3.902 -8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.100 4.987 -9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.766 5.091 -10.735 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.780 3.538 -9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.092 1.469 -8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.559 2.066 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.371 1.338 -10.132 1.00 0.00 H new