USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 700 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 85 MET CE :methyl 166:sc= -4.88! (180deg=-6.52!) USER MOD Set 1.2: A 89 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 45 CYS SG : rot -118:sc= 1.07 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -158:sc= -0.375! (180deg=-1.36!) USER MOD Set 2.3: A 71 TYR OH : rot 130:sc=-0.00339 USER MOD Set 2.4: A 122 TYR OH : rot 97:sc= -0.0615 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.676) USER MOD Single : A 42 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-3.2!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -0.148 (180deg=-0.906) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.447 USER MOD Single : A 62 MET CE :methyl -120:sc= -0.0414 (180deg=-0.436) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -4.01! K(o=-4!,f=-0.69) USER MOD Single : A 72 SER OG : rot 120:sc= -1.66! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0186! USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -4.8! C(o=-4.8!,f=-4.4!) USER MOD Single : A 112 THR OG1 : rot -130:sc= -1.64! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 173:sc= -0.643 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -18! C(o=-18!,f=-17!) USER MOD Single : A 126 MET CE :methyl 163:sc= -6.15! (180deg=-7.03!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 2.263 -16.953 -13.053 1.00 0.00 N ATOM 2 CA ASN A 36 1.142 -17.474 -13.889 1.00 0.00 C ATOM 3 C ASN A 36 0.254 -16.321 -14.364 1.00 0.00 C ATOM 4 O ASN A 36 0.055 -16.124 -15.547 1.00 0.00 O ATOM 5 CB ASN A 36 0.363 -18.408 -12.962 1.00 0.00 C ATOM 6 CG ASN A 36 -0.822 -19.009 -13.719 1.00 0.00 C ATOM 7 OD1 ASN A 36 -1.916 -18.482 -13.677 1.00 0.00 O ATOM 8 ND2 ASN A 36 -0.649 -20.100 -14.416 1.00 0.00 N ATOM 0 HA ASN A 36 1.495 -17.987 -14.783 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.015 -19.202 -12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.010 -17.859 -12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.432 -20.510 -14.925 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.269 -20.542 -14.451 1.00 0.00 H new ATOM 15 N ALA A 37 -0.281 -15.558 -13.451 1.00 0.00 N ATOM 16 CA ALA A 37 -1.155 -14.417 -13.847 1.00 0.00 C ATOM 17 C ALA A 37 -0.712 -13.146 -13.119 1.00 0.00 C ATOM 18 O ALA A 37 0.031 -13.197 -12.160 1.00 0.00 O ATOM 19 CB ALA A 37 -2.563 -14.822 -13.412 1.00 0.00 C ATOM 0 H ALA A 37 -0.151 -15.675 -12.446 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.108 -14.209 -14.916 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.266 -14.030 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.850 -15.742 -13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.579 -14.983 -12.334 1.00 0.00 H new ATOM 25 N VAL A 38 -1.154 -12.004 -13.569 1.00 0.00 N ATOM 26 CA VAL A 38 -0.745 -10.737 -12.899 1.00 0.00 C ATOM 27 C VAL A 38 -1.906 -9.735 -12.889 1.00 0.00 C ATOM 28 O VAL A 38 -2.792 -9.789 -13.718 1.00 0.00 O ATOM 29 CB VAL A 38 0.420 -10.209 -13.737 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.028 -10.018 -15.186 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.890 -8.869 -13.172 1.00 0.00 C ATOM 0 H VAL A 38 -1.778 -11.893 -14.368 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.462 -10.893 -11.858 1.00 0.00 H new ATOM 0 HB VAL A 38 1.239 -10.928 -13.704 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.806 -9.642 -15.778 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.360 -10.973 -15.593 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.850 -9.303 -15.221 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.720 -8.493 -13.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.068 -8.153 -13.202 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.217 -9.003 -12.141 1.00 0.00 H new ATOM 41 N LYS A 39 -1.898 -8.811 -11.966 1.00 0.00 N ATOM 42 CA LYS A 39 -2.992 -7.798 -11.915 1.00 0.00 C ATOM 43 C LYS A 39 -2.498 -6.492 -12.532 1.00 0.00 C ATOM 44 O LYS A 39 -1.463 -5.976 -12.157 1.00 0.00 O ATOM 45 CB LYS A 39 -3.303 -7.610 -10.430 1.00 0.00 C ATOM 46 CG LYS A 39 -4.711 -7.032 -10.274 1.00 0.00 C ATOM 47 CD LYS A 39 -4.684 -5.875 -9.274 1.00 0.00 C ATOM 48 CE LYS A 39 -6.104 -5.594 -8.777 1.00 0.00 C ATOM 49 NZ LYS A 39 -6.886 -5.265 -10.001 1.00 0.00 N ATOM 0 H LYS A 39 -1.182 -8.714 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.878 -8.109 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.230 -8.564 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.571 -6.942 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.081 -6.684 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.397 -7.807 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.036 -6.122 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.269 -4.984 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.521 -6.461 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.117 -4.767 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.719 -4.700 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.291 -4.720 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.195 -6.144 -10.462 1.00 0.00 H new ATOM 63 N VAL A 40 -3.206 -5.957 -13.490 1.00 0.00 N ATOM 64 CA VAL A 40 -2.722 -4.695 -14.127 1.00 0.00 C ATOM 65 C VAL A 40 -3.815 -3.625 -14.218 1.00 0.00 C ATOM 66 O VAL A 40 -4.992 -3.913 -14.305 1.00 0.00 O ATOM 67 CB VAL A 40 -2.281 -5.109 -15.530 1.00 0.00 C ATOM 68 CG1 VAL A 40 -1.138 -6.119 -15.433 1.00 0.00 C ATOM 69 CG2 VAL A 40 -3.459 -5.749 -16.266 1.00 0.00 C ATOM 0 H VAL A 40 -4.083 -6.329 -13.855 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.921 -4.249 -13.537 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.942 -4.228 -16.075 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.826 -6.412 -16.435 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.296 -5.667 -14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.476 -6.999 -14.886 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.145 -6.045 -17.267 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.797 -6.628 -15.717 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.276 -5.031 -16.339 1.00 0.00 H new ATOM 79 N ARG A 41 -3.403 -2.385 -14.229 1.00 0.00 N ATOM 80 CA ARG A 41 -4.364 -1.250 -14.349 1.00 0.00 C ATOM 81 C ARG A 41 -3.788 -0.242 -15.347 1.00 0.00 C ATOM 82 O ARG A 41 -2.673 0.219 -15.193 1.00 0.00 O ATOM 83 CB ARG A 41 -4.459 -0.643 -12.946 1.00 0.00 C ATOM 84 CG ARG A 41 -5.660 0.304 -12.881 1.00 0.00 C ATOM 85 CD ARG A 41 -5.641 1.071 -11.555 1.00 0.00 C ATOM 86 NE ARG A 41 -6.841 0.591 -10.814 1.00 0.00 N ATOM 87 CZ ARG A 41 -7.882 1.369 -10.684 1.00 0.00 C ATOM 88 NH1 ARG A 41 -7.720 2.640 -10.438 1.00 0.00 N ATOM 89 NH2 ARG A 41 -9.084 0.871 -10.795 1.00 0.00 N ATOM 0 H ARG A 41 -2.424 -2.107 -14.159 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.349 -1.552 -14.703 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.564 -1.433 -12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.543 -0.102 -12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.630 1.003 -13.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.587 -0.262 -12.972 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.726 0.871 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.684 2.147 -11.721 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.850 -0.345 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.780 3.026 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.533 3.247 -10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.209 -0.124 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.898 1.477 -10.694 1.00 0.00 H new ATOM 103 N HIS A 42 -4.506 0.081 -16.389 1.00 0.00 N ATOM 104 CA HIS A 42 -3.942 1.027 -17.399 1.00 0.00 C ATOM 105 C HIS A 42 -4.913 2.168 -17.730 1.00 0.00 C ATOM 106 O HIS A 42 -6.113 2.046 -17.585 1.00 0.00 O ATOM 107 CB HIS A 42 -3.697 0.152 -18.640 1.00 0.00 C ATOM 108 CG HIS A 42 -4.937 0.098 -19.500 1.00 0.00 C ATOM 109 ND1 HIS A 42 -4.982 0.659 -20.768 1.00 0.00 N ATOM 110 CD2 HIS A 42 -6.185 -0.431 -19.280 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.219 0.455 -21.257 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.993 -0.205 -20.391 1.00 0.00 N ATOM 0 H HIS A 42 -5.446 -0.263 -16.585 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.039 1.513 -17.031 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.864 0.553 -19.217 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.416 -0.855 -18.333 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.493 -0.945 -18.381 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.546 0.785 -22.232 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.966 -0.483 -20.517 1.00 0.00 H new ATOM 120 N ILE A 43 -4.391 3.262 -18.220 1.00 0.00 N ATOM 121 CA ILE A 43 -5.266 4.398 -18.619 1.00 0.00 C ATOM 122 C ILE A 43 -5.190 4.546 -20.144 1.00 0.00 C ATOM 123 O ILE A 43 -4.123 4.512 -20.728 1.00 0.00 O ATOM 124 CB ILE A 43 -4.725 5.630 -17.876 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.288 5.950 -18.312 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.734 5.348 -16.373 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.171 7.447 -18.606 1.00 0.00 C ATOM 0 H ILE A 43 -3.392 3.416 -18.361 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.315 4.255 -18.362 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.360 6.484 -18.113 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.586 5.666 -17.528 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.027 5.372 -19.199 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.352 6.217 -15.837 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.754 5.141 -16.048 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.103 4.485 -16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.152 7.678 -18.916 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.863 7.716 -19.404 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.415 8.014 -17.708 1.00 0.00 H new ATOM 139 N LEU A 44 -6.311 4.660 -20.802 1.00 0.00 N ATOM 140 CA LEU A 44 -6.293 4.753 -22.293 1.00 0.00 C ATOM 141 C LEU A 44 -6.559 6.180 -22.778 1.00 0.00 C ATOM 142 O LEU A 44 -7.505 6.822 -22.365 1.00 0.00 O ATOM 143 CB LEU A 44 -7.420 3.823 -22.751 1.00 0.00 C ATOM 144 CG LEU A 44 -7.101 3.252 -24.135 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.746 1.870 -24.278 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.663 4.177 -25.217 1.00 0.00 C ATOM 0 H LEU A 44 -7.237 4.693 -20.375 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.319 4.475 -22.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.546 3.011 -22.034 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.363 4.369 -22.783 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.020 3.170 -24.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.519 1.463 -25.263 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.352 1.204 -23.511 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.826 1.959 -24.162 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.434 3.767 -26.201 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.744 4.259 -25.101 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.212 5.165 -25.121 1.00 0.00 H new ATOM 158 N CYS A 45 -5.744 6.666 -23.676 1.00 0.00 N ATOM 159 CA CYS A 45 -5.963 8.036 -24.222 1.00 0.00 C ATOM 160 C CYS A 45 -5.768 8.004 -25.740 1.00 0.00 C ATOM 161 O CYS A 45 -5.109 7.128 -26.267 1.00 0.00 O ATOM 162 CB CYS A 45 -4.913 8.919 -23.553 1.00 0.00 C ATOM 163 SG CYS A 45 -5.214 10.650 -23.999 1.00 0.00 S ATOM 0 H CYS A 45 -4.936 6.173 -24.055 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.967 8.413 -24.027 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.955 8.798 -22.471 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.914 8.619 -23.869 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.192 11.113 -24.656 1.00 0.00 H new ATOM 169 N GLU A 46 -6.351 8.927 -26.452 1.00 0.00 N ATOM 170 CA GLU A 46 -6.210 8.910 -27.938 1.00 0.00 C ATOM 171 C GLU A 46 -5.400 10.108 -28.446 1.00 0.00 C ATOM 172 O GLU A 46 -5.003 10.152 -29.595 1.00 0.00 O ATOM 173 CB GLU A 46 -7.641 8.992 -28.458 1.00 0.00 C ATOM 174 CG GLU A 46 -8.380 7.694 -28.133 1.00 0.00 C ATOM 175 CD GLU A 46 -9.821 7.786 -28.637 1.00 0.00 C ATOM 176 OE1 GLU A 46 -10.165 8.810 -29.203 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.556 6.830 -28.449 1.00 0.00 O ATOM 0 H GLU A 46 -6.916 9.688 -26.075 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.680 8.020 -28.277 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.156 9.839 -28.004 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.638 9.161 -29.535 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.874 6.849 -28.599 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.370 7.517 -27.057 1.00 0.00 H new ATOM 184 N LYS A 47 -5.165 11.085 -27.620 1.00 0.00 N ATOM 185 CA LYS A 47 -4.398 12.278 -28.084 1.00 0.00 C ATOM 186 C LYS A 47 -2.960 11.898 -28.450 1.00 0.00 C ATOM 187 O LYS A 47 -2.171 11.513 -27.611 1.00 0.00 O ATOM 188 CB LYS A 47 -4.412 13.240 -26.899 1.00 0.00 C ATOM 189 CG LYS A 47 -5.739 14.000 -26.872 1.00 0.00 C ATOM 190 CD LYS A 47 -5.725 15.094 -27.941 1.00 0.00 C ATOM 191 CE LYS A 47 -7.163 15.448 -28.331 1.00 0.00 C ATOM 192 NZ LYS A 47 -7.492 14.533 -29.460 1.00 0.00 N ATOM 0 H LYS A 47 -5.468 11.113 -26.646 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.837 12.718 -28.979 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.278 12.689 -25.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.581 13.941 -26.977 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.567 13.314 -27.051 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.897 14.441 -25.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.211 15.978 -27.564 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.173 14.754 -28.817 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.846 15.304 -27.494 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.245 16.492 -28.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.464 14.715 -29.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.830 14.698 -30.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.413 13.546 -29.142 1.00 0.00 H new ATOM 206 N HIS A 48 -2.615 12.014 -29.702 1.00 0.00 N ATOM 207 CA HIS A 48 -1.231 11.670 -30.135 1.00 0.00 C ATOM 208 C HIS A 48 -0.338 12.901 -30.040 1.00 0.00 C ATOM 209 O HIS A 48 -0.775 14.018 -30.233 1.00 0.00 O ATOM 210 CB HIS A 48 -1.401 11.171 -31.561 1.00 0.00 C ATOM 211 CG HIS A 48 -2.339 10.007 -31.492 1.00 0.00 C ATOM 212 ND1 HIS A 48 -2.493 9.280 -30.325 1.00 0.00 N ATOM 213 CD2 HIS A 48 -3.205 9.456 -32.395 1.00 0.00 C ATOM 214 CE1 HIS A 48 -3.421 8.344 -30.550 1.00 0.00 C ATOM 215 NE2 HIS A 48 -3.892 8.402 -31.800 1.00 0.00 N ATOM 0 H HIS A 48 -3.234 12.333 -30.447 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.748 10.916 -29.514 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.803 11.956 -32.202 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.442 10.873 -31.985 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.336 9.788 -33.414 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.750 7.628 -29.812 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.601 7.804 -32.225 1.00 0.00 H new ATOM 223 N GLY A 49 0.898 12.708 -29.673 1.00 0.00 N ATOM 224 CA GLY A 49 1.805 13.870 -29.484 1.00 0.00 C ATOM 225 C GLY A 49 1.683 14.297 -28.017 1.00 0.00 C ATOM 226 O GLY A 49 2.508 15.011 -27.484 1.00 0.00 O ATOM 0 H GLY A 49 1.318 11.795 -29.496 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.834 13.600 -29.723 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.528 14.688 -30.149 1.00 0.00 H new ATOM 230 N LYS A 50 0.645 13.829 -27.366 1.00 0.00 N ATOM 231 CA LYS A 50 0.416 14.147 -25.937 1.00 0.00 C ATOM 232 C LYS A 50 0.945 12.992 -25.080 1.00 0.00 C ATOM 233 O LYS A 50 1.035 13.087 -23.872 1.00 0.00 O ATOM 234 CB LYS A 50 -1.108 14.250 -25.832 1.00 0.00 C ATOM 235 CG LYS A 50 -1.520 14.597 -24.403 1.00 0.00 C ATOM 236 CD LYS A 50 -2.924 14.044 -24.137 1.00 0.00 C ATOM 237 CE LYS A 50 -3.323 14.343 -22.691 1.00 0.00 C ATOM 238 NZ LYS A 50 -2.524 13.393 -21.867 1.00 0.00 N ATOM 0 H LYS A 50 -0.065 13.227 -27.783 1.00 0.00 H new ATOM 0 HA LYS A 50 0.915 15.055 -25.598 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.476 15.012 -26.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.564 13.306 -26.130 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.809 14.174 -23.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.508 15.678 -24.260 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.640 14.495 -24.824 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.943 12.969 -24.316 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.103 15.377 -22.426 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.392 14.196 -22.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.984 13.263 -20.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.462 12.477 -22.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.567 13.775 -21.726 1.00 0.00 H new ATOM 252 N ILE A 51 1.297 11.898 -25.710 1.00 0.00 N ATOM 253 CA ILE A 51 1.825 10.723 -24.959 1.00 0.00 C ATOM 254 C ILE A 51 2.877 11.174 -23.941 1.00 0.00 C ATOM 255 O ILE A 51 2.887 10.740 -22.806 1.00 0.00 O ATOM 256 CB ILE A 51 2.471 9.834 -26.028 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.387 9.072 -26.797 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.413 8.829 -25.362 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.003 8.419 -28.035 1.00 0.00 C ATOM 0 H ILE A 51 1.240 11.771 -26.720 1.00 0.00 H new ATOM 0 HA ILE A 51 1.044 10.203 -24.404 1.00 0.00 H new ATOM 0 HB ILE A 51 3.033 10.463 -26.718 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.938 8.312 -26.157 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.588 9.753 -27.091 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.871 8.199 -26.124 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.192 9.365 -24.819 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.849 8.207 -24.667 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.232 7.877 -28.582 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.431 9.189 -28.678 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.786 7.725 -27.729 1.00 0.00 H new ATOM 271 N MET A 52 3.772 12.034 -24.347 1.00 0.00 N ATOM 272 CA MET A 52 4.834 12.507 -23.415 1.00 0.00 C ATOM 273 C MET A 52 4.219 13.252 -22.227 1.00 0.00 C ATOM 274 O MET A 52 4.692 13.157 -21.112 1.00 0.00 O ATOM 275 CB MET A 52 5.697 13.451 -24.253 1.00 0.00 C ATOM 276 CG MET A 52 4.896 14.711 -24.593 1.00 0.00 C ATOM 277 SD MET A 52 5.828 15.721 -25.770 1.00 0.00 S ATOM 278 CE MET A 52 4.871 17.244 -25.567 1.00 0.00 C ATOM 0 H MET A 52 3.813 12.430 -25.286 1.00 0.00 H new ATOM 0 HA MET A 52 5.411 11.682 -22.998 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.600 13.719 -23.704 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.016 12.952 -25.168 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.930 14.437 -25.018 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.695 15.282 -23.687 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.280 18.020 -26.214 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.831 17.059 -25.835 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.925 17.572 -24.529 1.00 0.00 H new ATOM 288 N GLU A 53 3.170 13.993 -22.456 1.00 0.00 N ATOM 289 CA GLU A 53 2.536 14.740 -21.333 1.00 0.00 C ATOM 290 C GLU A 53 1.793 13.775 -20.405 1.00 0.00 C ATOM 291 O GLU A 53 1.785 13.940 -19.201 1.00 0.00 O ATOM 292 CB GLU A 53 1.553 15.704 -22.000 1.00 0.00 C ATOM 293 CG GLU A 53 0.868 16.553 -20.926 1.00 0.00 C ATOM 294 CD GLU A 53 0.280 17.813 -21.562 1.00 0.00 C ATOM 295 OE1 GLU A 53 0.550 18.046 -22.730 1.00 0.00 O ATOM 296 OE2 GLU A 53 -0.429 18.526 -20.873 1.00 0.00 O ATOM 0 H GLU A 53 2.726 14.113 -23.367 1.00 0.00 H new ATOM 0 HA GLU A 53 3.271 15.265 -20.723 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.079 16.346 -22.707 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.809 15.147 -22.569 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.080 15.977 -20.441 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.585 16.826 -20.152 1.00 0.00 H new ATOM 303 N ALA A 54 1.167 12.770 -20.954 1.00 0.00 N ATOM 304 CA ALA A 54 0.425 11.800 -20.099 1.00 0.00 C ATOM 305 C ALA A 54 1.390 11.048 -19.179 1.00 0.00 C ATOM 306 O ALA A 54 1.171 10.943 -17.989 1.00 0.00 O ATOM 307 CB ALA A 54 -0.242 10.836 -21.079 1.00 0.00 C ATOM 0 H ALA A 54 1.137 12.579 -21.955 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.301 12.295 -19.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.810 10.089 -20.525 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.914 11.390 -21.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.522 10.340 -21.679 1.00 0.00 H new ATOM 313 N MET A 55 2.455 10.518 -19.718 1.00 0.00 N ATOM 314 CA MET A 55 3.423 9.770 -18.866 1.00 0.00 C ATOM 315 C MET A 55 4.088 10.713 -17.861 1.00 0.00 C ATOM 316 O MET A 55 4.431 10.320 -16.763 1.00 0.00 O ATOM 317 CB MET A 55 4.458 9.199 -19.837 1.00 0.00 C ATOM 318 CG MET A 55 5.379 10.319 -20.327 1.00 0.00 C ATOM 319 SD MET A 55 6.604 9.634 -21.470 1.00 0.00 S ATOM 320 CE MET A 55 7.842 10.943 -21.291 1.00 0.00 C ATOM 0 H MET A 55 2.696 10.570 -20.708 1.00 0.00 H new ATOM 0 HA MET A 55 2.936 8.985 -18.287 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.044 8.423 -19.344 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.957 8.731 -20.684 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.795 11.094 -20.824 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.879 10.790 -19.481 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.702 10.719 -21.922 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.409 11.897 -21.592 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.161 11.002 -20.250 1.00 0.00 H new ATOM 330 N GLU A 56 4.276 11.954 -18.221 1.00 0.00 N ATOM 331 CA GLU A 56 4.920 12.908 -17.272 1.00 0.00 C ATOM 332 C GLU A 56 3.967 13.234 -16.120 1.00 0.00 C ATOM 333 O GLU A 56 4.358 13.260 -14.970 1.00 0.00 O ATOM 334 CB GLU A 56 5.213 14.164 -18.094 1.00 0.00 C ATOM 335 CG GLU A 56 5.960 15.177 -17.222 1.00 0.00 C ATOM 336 CD GLU A 56 6.464 16.330 -18.092 1.00 0.00 C ATOM 337 OE1 GLU A 56 6.777 16.086 -19.245 1.00 0.00 O ATOM 338 OE2 GLU A 56 6.530 17.440 -17.588 1.00 0.00 O ATOM 0 H GLU A 56 4.014 12.347 -19.125 1.00 0.00 H new ATOM 0 HA GLU A 56 5.826 12.493 -16.830 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.811 13.909 -18.969 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.283 14.598 -18.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.300 15.558 -16.443 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.798 14.693 -16.721 1.00 0.00 H new ATOM 345 N LYS A 57 2.718 13.480 -16.414 1.00 0.00 N ATOM 346 CA LYS A 57 1.751 13.798 -15.326 1.00 0.00 C ATOM 347 C LYS A 57 1.700 12.637 -14.329 1.00 0.00 C ATOM 348 O LYS A 57 1.890 12.818 -13.142 1.00 0.00 O ATOM 349 CB LYS A 57 0.406 13.982 -16.027 1.00 0.00 C ATOM 350 CG LYS A 57 0.408 15.311 -16.788 1.00 0.00 C ATOM 351 CD LYS A 57 -0.848 16.107 -16.429 1.00 0.00 C ATOM 352 CE LYS A 57 -0.462 17.308 -15.560 1.00 0.00 C ATOM 353 NZ LYS A 57 0.339 18.192 -16.452 1.00 0.00 N ATOM 0 H LYS A 57 2.328 13.474 -17.356 1.00 0.00 H new ATOM 0 HA LYS A 57 2.028 14.689 -14.763 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.226 13.156 -16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.402 13.970 -15.296 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.300 15.885 -16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.440 15.127 -17.862 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.347 16.447 -17.336 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.554 15.471 -15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.346 17.824 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.117 16.996 -14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.123 19.187 -16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.352 18.016 -16.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.101 17.991 -17.444 1.00 0.00 H new ATOM 367 N LEU A 58 1.463 11.443 -14.802 1.00 0.00 N ATOM 368 CA LEU A 58 1.423 10.273 -13.878 1.00 0.00 C ATOM 369 C LEU A 58 2.860 9.890 -13.503 1.00 0.00 C ATOM 370 O LEU A 58 3.118 9.353 -12.444 1.00 0.00 O ATOM 371 CB LEU A 58 0.689 9.167 -14.674 1.00 0.00 C ATOM 372 CG LEU A 58 1.534 7.886 -14.819 1.00 0.00 C ATOM 373 CD1 LEU A 58 0.617 6.665 -14.788 1.00 0.00 C ATOM 374 CD2 LEU A 58 2.270 7.916 -16.157 1.00 0.00 C ATOM 0 H LEU A 58 1.296 11.228 -15.785 1.00 0.00 H new ATOM 0 HA LEU A 58 0.905 10.463 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.249 8.925 -14.174 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.434 9.545 -15.664 1.00 0.00 H new ATOM 0 HG LEU A 58 2.251 7.831 -14.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.214 5.759 -14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.078 6.639 -13.841 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.096 6.725 -15.610 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.869 7.011 -16.263 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.546 7.969 -16.970 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.922 8.789 -16.194 1.00 0.00 H new ATOM 386 N LYS A 59 3.795 10.175 -14.367 1.00 0.00 N ATOM 387 CA LYS A 59 5.219 9.844 -14.075 1.00 0.00 C ATOM 388 C LYS A 59 5.348 8.417 -13.524 1.00 0.00 C ATOM 389 O LYS A 59 5.357 7.458 -14.270 1.00 0.00 O ATOM 390 CB LYS A 59 5.653 10.881 -13.035 1.00 0.00 C ATOM 391 CG LYS A 59 7.146 10.717 -12.746 1.00 0.00 C ATOM 392 CD LYS A 59 7.537 11.598 -11.558 1.00 0.00 C ATOM 393 CE LYS A 59 8.949 12.151 -11.774 1.00 0.00 C ATOM 394 NZ LYS A 59 9.209 13.006 -10.584 1.00 0.00 N ATOM 0 H LYS A 59 3.633 10.625 -15.268 1.00 0.00 H new ATOM 0 HA LYS A 59 5.843 9.876 -14.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.451 11.887 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.078 10.755 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.372 9.673 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.729 10.993 -13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.827 12.418 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.499 11.020 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.681 11.347 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.011 12.728 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.159 13.423 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.500 13.766 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.150 12.428 -9.722 1.00 0.00 H new ATOM 408 N SER A 60 5.455 8.262 -12.229 1.00 0.00 N ATOM 409 CA SER A 60 5.593 6.895 -11.653 1.00 0.00 C ATOM 410 C SER A 60 4.242 6.386 -11.148 1.00 0.00 C ATOM 411 O SER A 60 4.081 5.219 -10.850 1.00 0.00 O ATOM 412 CB SER A 60 6.568 7.058 -10.488 1.00 0.00 C ATOM 413 OG SER A 60 5.926 7.766 -9.435 1.00 0.00 O ATOM 0 H SER A 60 5.453 9.022 -11.549 1.00 0.00 H new ATOM 0 HA SER A 60 5.946 6.173 -12.390 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.899 6.081 -10.136 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.457 7.597 -10.815 1.00 0.00 H new ATOM 0 HG SER A 60 6.548 7.871 -8.685 1.00 0.00 H new ATOM 419 N GLY A 61 3.268 7.249 -11.050 1.00 0.00 N ATOM 420 CA GLY A 61 1.932 6.805 -10.564 1.00 0.00 C ATOM 421 C GLY A 61 1.510 7.651 -9.361 1.00 0.00 C ATOM 422 O GLY A 61 0.465 7.437 -8.780 1.00 0.00 O ATOM 0 H GLY A 61 3.339 8.239 -11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.195 6.898 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.968 5.752 -10.285 1.00 0.00 H new ATOM 426 N MET A 62 2.308 8.611 -8.979 1.00 0.00 N ATOM 427 CA MET A 62 1.933 9.458 -7.810 1.00 0.00 C ATOM 428 C MET A 62 0.502 9.974 -7.983 1.00 0.00 C ATOM 429 O MET A 62 -0.323 9.857 -7.100 1.00 0.00 O ATOM 430 CB MET A 62 2.932 10.616 -7.815 1.00 0.00 C ATOM 431 CG MET A 62 4.337 10.073 -7.550 1.00 0.00 C ATOM 432 SD MET A 62 4.404 9.367 -5.884 1.00 0.00 S ATOM 433 CE MET A 62 4.512 10.930 -4.978 1.00 0.00 C ATOM 0 H MET A 62 3.197 8.845 -9.422 1.00 0.00 H new ATOM 0 HA MET A 62 1.964 8.908 -6.869 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.904 11.131 -8.775 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.663 11.347 -7.053 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.591 9.313 -8.289 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.072 10.872 -7.648 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.437 10.953 -4.402 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.503 11.761 -5.683 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.661 11.018 -4.302 1.00 0.00 H new ATOM 443 N ARG A 63 0.201 10.532 -9.124 1.00 0.00 N ATOM 444 CA ARG A 63 -1.177 11.043 -9.366 1.00 0.00 C ATOM 445 C ARG A 63 -1.930 10.070 -10.278 1.00 0.00 C ATOM 446 O ARG A 63 -2.758 10.459 -11.078 1.00 0.00 O ATOM 447 CB ARG A 63 -0.982 12.394 -10.058 1.00 0.00 C ATOM 448 CG ARG A 63 -1.396 13.520 -9.107 1.00 0.00 C ATOM 449 CD ARG A 63 -1.045 14.872 -9.733 1.00 0.00 C ATOM 450 NE ARG A 63 -1.070 15.840 -8.601 1.00 0.00 N ATOM 451 CZ ARG A 63 -0.587 17.044 -8.756 1.00 0.00 C ATOM 452 NH1 ARG A 63 0.437 17.243 -9.539 1.00 0.00 N ATOM 453 NH2 ARG A 63 -1.132 18.050 -8.126 1.00 0.00 N ATOM 0 H ARG A 63 0.851 10.656 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.758 11.142 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.060 12.517 -10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.577 12.437 -10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.466 13.467 -8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.887 13.407 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.064 14.844 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.764 15.148 -10.504 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.465 15.562 -7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.862 16.458 -10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.812 18.184 -9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.933 17.895 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.756 18.991 -8.246 1.00 0.00 H new ATOM 467 N PHE A 64 -1.635 8.803 -10.165 1.00 0.00 N ATOM 468 CA PHE A 64 -2.313 7.786 -11.019 1.00 0.00 C ATOM 469 C PHE A 64 -3.834 7.933 -10.932 1.00 0.00 C ATOM 470 O PHE A 64 -4.522 7.955 -11.932 1.00 0.00 O ATOM 471 CB PHE A 64 -1.877 6.439 -10.444 1.00 0.00 C ATOM 472 CG PHE A 64 -2.120 5.350 -11.461 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.589 5.466 -12.751 1.00 0.00 C ATOM 474 CD2 PHE A 64 -2.878 4.224 -11.115 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.813 4.457 -13.695 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.103 3.215 -12.059 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.571 3.331 -13.349 1.00 0.00 C ATOM 0 H PHE A 64 -0.948 8.426 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.048 7.894 -12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.821 6.471 -10.177 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.431 6.226 -9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.006 6.335 -13.018 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.289 4.134 -10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.402 4.547 -14.690 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.687 2.347 -11.792 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.745 2.553 -14.077 1.00 0.00 H new ATOM 487 N ASN A 65 -4.363 8.023 -9.744 1.00 0.00 N ATOM 488 CA ASN A 65 -5.840 8.155 -9.596 1.00 0.00 C ATOM 489 C ASN A 65 -6.357 9.347 -10.406 1.00 0.00 C ATOM 490 O ASN A 65 -7.325 9.241 -11.133 1.00 0.00 O ATOM 491 CB ASN A 65 -6.074 8.379 -8.103 1.00 0.00 C ATOM 492 CG ASN A 65 -7.568 8.587 -7.849 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.353 7.672 -7.989 1.00 0.00 O ATOM 494 ND2 ASN A 65 -7.994 9.763 -7.480 1.00 0.00 N ATOM 0 H ASN A 65 -3.838 8.011 -8.870 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.367 7.274 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.713 7.522 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.511 9.248 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.988 9.915 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.333 10.531 -7.363 1.00 0.00 H new ATOM 501 N GLU A 66 -5.722 10.479 -10.289 1.00 0.00 N ATOM 502 CA GLU A 66 -6.182 11.672 -11.054 1.00 0.00 C ATOM 503 C GLU A 66 -5.929 11.466 -12.552 1.00 0.00 C ATOM 504 O GLU A 66 -6.764 11.776 -13.381 1.00 0.00 O ATOM 505 CB GLU A 66 -5.346 12.833 -10.513 1.00 0.00 C ATOM 506 CG GLU A 66 -5.845 14.150 -11.110 1.00 0.00 C ATOM 507 CD GLU A 66 -4.785 15.236 -10.907 1.00 0.00 C ATOM 508 OE1 GLU A 66 -3.730 15.125 -11.509 1.00 0.00 O ATOM 509 OE2 GLU A 66 -5.048 16.158 -10.154 1.00 0.00 O ATOM 0 H GLU A 66 -4.905 10.630 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.250 11.856 -10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.414 12.867 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.295 12.684 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.053 14.024 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.780 14.446 -10.635 1.00 0.00 H new ATOM 516 N VAL A 67 -4.789 10.937 -12.907 1.00 0.00 N ATOM 517 CA VAL A 67 -4.489 10.708 -14.351 1.00 0.00 C ATOM 518 C VAL A 67 -5.445 9.660 -14.932 1.00 0.00 C ATOM 519 O VAL A 67 -6.093 9.887 -15.932 1.00 0.00 O ATOM 520 CB VAL A 67 -3.043 10.203 -14.380 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.707 9.644 -15.766 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.097 11.364 -14.069 1.00 0.00 C ATOM 0 H VAL A 67 -4.053 10.654 -12.261 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.614 11.611 -14.949 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.927 9.414 -13.636 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.677 9.288 -15.775 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.379 8.817 -15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.826 10.428 -16.513 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.067 11.009 -14.089 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.225 12.148 -14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.324 11.764 -13.081 1.00 0.00 H new ATOM 532 N ALA A 68 -5.536 8.513 -14.318 1.00 0.00 N ATOM 533 CA ALA A 68 -6.446 7.457 -14.848 1.00 0.00 C ATOM 534 C ALA A 68 -7.897 7.950 -14.882 1.00 0.00 C ATOM 535 O ALA A 68 -8.566 7.869 -15.893 1.00 0.00 O ATOM 536 CB ALA A 68 -6.307 6.289 -13.871 1.00 0.00 C ATOM 0 H ALA A 68 -5.021 8.261 -13.474 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.188 7.178 -15.870 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.948 5.468 -14.192 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.270 5.953 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.604 6.612 -12.873 1.00 0.00 H new ATOM 542 N ALA A 69 -8.391 8.445 -13.781 1.00 0.00 N ATOM 543 CA ALA A 69 -9.804 8.923 -13.743 1.00 0.00 C ATOM 544 C ALA A 69 -10.025 10.089 -14.713 1.00 0.00 C ATOM 545 O ALA A 69 -11.145 10.403 -15.066 1.00 0.00 O ATOM 546 CB ALA A 69 -10.027 9.378 -12.301 1.00 0.00 C ATOM 0 H ALA A 69 -7.878 8.540 -12.905 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.500 8.141 -14.045 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.047 9.745 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.868 8.537 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.325 10.176 -12.059 1.00 0.00 H new ATOM 552 N GLN A 70 -8.981 10.744 -15.141 1.00 0.00 N ATOM 553 CA GLN A 70 -9.169 11.891 -16.077 1.00 0.00 C ATOM 554 C GLN A 70 -8.701 11.525 -17.492 1.00 0.00 C ATOM 555 O GLN A 70 -9.155 12.090 -18.468 1.00 0.00 O ATOM 556 CB GLN A 70 -8.315 13.020 -15.494 1.00 0.00 C ATOM 557 CG GLN A 70 -8.621 14.322 -16.234 1.00 0.00 C ATOM 558 CD GLN A 70 -7.541 14.608 -17.286 1.00 0.00 C ATOM 559 OE1 GLN A 70 -7.415 15.726 -17.745 1.00 0.00 O ATOM 560 NE2 GLN A 70 -6.752 13.649 -17.696 1.00 0.00 N ATOM 0 H GLN A 70 -8.015 10.539 -14.887 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.217 12.177 -16.168 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.523 13.136 -14.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.257 12.776 -15.587 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.597 14.253 -16.715 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.673 15.147 -15.524 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.852 12.708 -17.315 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.036 13.842 -18.397 1.00 0.00 H new ATOM 569 N TYR A 71 -7.809 10.578 -17.615 1.00 0.00 N ATOM 570 CA TYR A 71 -7.327 10.176 -18.972 1.00 0.00 C ATOM 571 C TYR A 71 -8.042 8.899 -19.410 1.00 0.00 C ATOM 572 O TYR A 71 -7.730 8.314 -20.428 1.00 0.00 O ATOM 573 CB TYR A 71 -5.826 9.907 -18.817 1.00 0.00 C ATOM 574 CG TYR A 71 -5.063 11.207 -18.729 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.004 12.064 -19.834 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.403 11.548 -17.542 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.286 13.263 -19.750 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.685 12.745 -17.459 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.626 13.604 -18.563 1.00 0.00 C ATOM 580 OH TYR A 71 -2.916 14.783 -18.482 1.00 0.00 O ATOM 0 H TYR A 71 -7.393 10.066 -16.837 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.523 10.945 -19.720 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.648 9.312 -17.921 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.466 9.323 -19.664 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.512 11.801 -20.750 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.449 10.886 -16.690 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.241 13.926 -20.602 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.176 13.007 -16.543 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.183 15.271 -17.675 1.00 0.00 H new ATOM 590 N SER A 72 -8.999 8.462 -18.643 1.00 0.00 N ATOM 591 CA SER A 72 -9.738 7.225 -18.997 1.00 0.00 C ATOM 592 C SER A 72 -10.663 7.474 -20.191 1.00 0.00 C ATOM 593 O SER A 72 -11.718 8.064 -20.060 1.00 0.00 O ATOM 594 CB SER A 72 -10.545 6.905 -17.744 1.00 0.00 C ATOM 595 OG SER A 72 -11.441 5.837 -18.019 1.00 0.00 O ATOM 0 H SER A 72 -9.302 8.913 -17.780 1.00 0.00 H new ATOM 0 HA SER A 72 -9.078 6.408 -19.288 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.876 6.632 -16.927 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.100 7.786 -17.421 1.00 0.00 H new ATOM 0 HG SER A 72 -11.245 5.084 -17.423 1.00 0.00 H new ATOM 601 N GLU A 73 -10.284 7.017 -21.354 1.00 0.00 N ATOM 602 CA GLU A 73 -11.149 7.216 -22.552 1.00 0.00 C ATOM 603 C GLU A 73 -11.918 5.925 -22.853 1.00 0.00 C ATOM 604 O GLU A 73 -12.615 5.821 -23.841 1.00 0.00 O ATOM 605 CB GLU A 73 -10.190 7.547 -23.696 1.00 0.00 C ATOM 606 CG GLU A 73 -9.511 8.894 -23.429 1.00 0.00 C ATOM 607 CD GLU A 73 -9.380 9.669 -24.741 1.00 0.00 C ATOM 608 OE1 GLU A 73 -9.795 9.142 -25.759 1.00 0.00 O ATOM 609 OE2 GLU A 73 -8.869 10.776 -24.705 1.00 0.00 O ATOM 0 H GLU A 73 -9.413 6.515 -21.526 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.884 8.007 -22.405 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.439 6.763 -23.792 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.734 7.584 -24.640 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.093 9.471 -22.710 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.527 8.736 -22.988 1.00 0.00 H new ATOM 616 N ASP A 74 -11.798 4.941 -22.001 1.00 0.00 N ATOM 617 CA ASP A 74 -12.524 3.658 -22.235 1.00 0.00 C ATOM 618 C ASP A 74 -13.618 3.477 -21.179 1.00 0.00 C ATOM 619 O ASP A 74 -14.032 2.375 -20.881 1.00 0.00 O ATOM 620 CB ASP A 74 -11.460 2.568 -22.104 1.00 0.00 C ATOM 621 CG ASP A 74 -11.882 1.340 -22.914 1.00 0.00 C ATOM 622 OD1 ASP A 74 -12.761 1.479 -23.749 1.00 0.00 O ATOM 623 OD2 ASP A 74 -11.319 0.281 -22.689 1.00 0.00 O ATOM 0 H ASP A 74 -11.230 4.970 -21.155 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.013 3.628 -23.209 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.499 2.939 -22.460 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.329 2.298 -21.056 1.00 0.00 H new ATOM 628 N LYS A 75 -14.087 4.555 -20.613 1.00 0.00 N ATOM 629 CA LYS A 75 -15.155 4.455 -19.576 1.00 0.00 C ATOM 630 C LYS A 75 -16.426 3.856 -20.185 1.00 0.00 C ATOM 631 O LYS A 75 -17.138 3.107 -19.547 1.00 0.00 O ATOM 632 CB LYS A 75 -15.403 5.895 -19.125 1.00 0.00 C ATOM 633 CG LYS A 75 -14.416 6.268 -18.016 1.00 0.00 C ATOM 634 CD LYS A 75 -15.119 6.180 -16.659 1.00 0.00 C ATOM 635 CE LYS A 75 -14.162 6.635 -15.554 1.00 0.00 C ATOM 636 NZ LYS A 75 -14.948 6.522 -14.294 1.00 0.00 N ATOM 0 H LYS A 75 -13.776 5.503 -20.824 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.867 3.812 -18.745 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.289 6.575 -19.969 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.426 6.002 -18.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.557 5.597 -18.037 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.036 7.277 -18.176 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.013 6.804 -16.660 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.445 5.157 -16.473 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.271 6.008 -15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.826 7.659 -15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.359 6.817 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.787 7.134 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.248 5.535 -14.160 1.00 0.00 H new ATOM 650 N ALA A 76 -16.716 4.181 -21.415 1.00 0.00 N ATOM 651 CA ALA A 76 -17.939 3.631 -22.063 1.00 0.00 C ATOM 652 C ALA A 76 -17.918 2.101 -22.013 1.00 0.00 C ATOM 653 O ALA A 76 -18.894 1.468 -21.663 1.00 0.00 O ATOM 654 CB ALA A 76 -17.875 4.120 -23.509 1.00 0.00 C ATOM 0 H ALA A 76 -16.158 4.804 -21.999 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.853 3.954 -21.564 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.745 3.755 -24.055 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.867 5.210 -23.525 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.967 3.744 -23.980 1.00 0.00 H new ATOM 660 N ARG A 77 -16.812 1.502 -22.364 1.00 0.00 N ATOM 661 CA ARG A 77 -16.730 0.012 -22.338 1.00 0.00 C ATOM 662 C ARG A 77 -15.986 -0.456 -21.084 1.00 0.00 C ATOM 663 O ARG A 77 -16.517 -1.179 -20.267 1.00 0.00 O ATOM 664 CB ARG A 77 -15.947 -0.364 -23.597 1.00 0.00 C ATOM 665 CG ARG A 77 -16.791 -0.057 -24.836 1.00 0.00 C ATOM 666 CD ARG A 77 -16.106 -0.634 -26.077 1.00 0.00 C ATOM 667 NE ARG A 77 -14.695 -0.170 -25.987 1.00 0.00 N ATOM 668 CZ ARG A 77 -13.768 -0.763 -26.688 1.00 0.00 C ATOM 669 NH1 ARG A 77 -13.749 -0.632 -27.987 1.00 0.00 N ATOM 670 NH2 ARG A 77 -12.862 -1.488 -26.089 1.00 0.00 N ATOM 0 H ARG A 77 -15.963 1.979 -22.667 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.715 -0.455 -22.315 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.011 0.193 -23.635 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.688 -1.422 -23.574 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.787 -0.485 -24.725 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.917 1.020 -24.945 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.164 -1.722 -26.090 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.581 -0.279 -26.991 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.453 0.611 -25.378 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.458 -0.066 -28.453 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.025 -1.095 -28.536 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.880 -1.590 -25.074 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.137 -1.952 -26.636 1.00 0.00 H new ATOM 684 N GLN A 78 -14.756 -0.047 -20.931 1.00 0.00 N ATOM 685 CA GLN A 78 -13.973 -0.466 -19.733 1.00 0.00 C ATOM 686 C GLN A 78 -12.676 0.342 -19.654 1.00 0.00 C ATOM 687 O GLN A 78 -11.749 0.116 -20.404 1.00 0.00 O ATOM 688 CB GLN A 78 -13.672 -1.949 -19.953 1.00 0.00 C ATOM 689 CG GLN A 78 -12.913 -2.124 -21.270 1.00 0.00 C ATOM 690 CD GLN A 78 -13.127 -3.545 -21.796 1.00 0.00 C ATOM 691 OE1 GLN A 78 -12.696 -4.504 -21.187 1.00 0.00 O ATOM 692 NE2 GLN A 78 -13.779 -3.720 -22.912 1.00 0.00 N ATOM 0 H GLN A 78 -14.259 0.559 -21.584 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.513 -0.299 -18.801 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.080 -2.338 -19.125 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -14.600 -2.520 -19.977 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.262 -1.397 -22.003 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.850 -1.937 -21.117 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -14.141 -2.915 -23.423 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.927 -4.662 -23.274 1.00 0.00 H new ATOM 701 N GLY A 79 -12.607 1.284 -18.755 1.00 0.00 N ATOM 702 CA GLY A 79 -11.371 2.106 -18.635 1.00 0.00 C ATOM 703 C GLY A 79 -10.908 2.136 -17.178 1.00 0.00 C ATOM 704 O GLY A 79 -11.310 2.985 -16.408 1.00 0.00 O ATOM 0 H GLY A 79 -13.352 1.520 -18.099 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.585 1.692 -19.267 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.562 3.120 -18.986 1.00 0.00 H new ATOM 708 N GLY A 80 -10.059 1.222 -16.793 1.00 0.00 N ATOM 709 CA GLY A 80 -9.571 1.209 -15.386 1.00 0.00 C ATOM 710 C GLY A 80 -8.590 0.053 -15.188 1.00 0.00 C ATOM 711 O GLY A 80 -7.416 0.166 -15.486 1.00 0.00 O ATOM 0 H GLY A 80 -9.684 0.486 -17.391 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.084 2.155 -15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.412 1.105 -14.701 1.00 0.00 H new ATOM 715 N ASP A 81 -9.054 -1.055 -14.681 1.00 0.00 N ATOM 716 CA ASP A 81 -8.136 -2.207 -14.458 1.00 0.00 C ATOM 717 C ASP A 81 -8.514 -3.389 -15.353 1.00 0.00 C ATOM 718 O ASP A 81 -9.618 -3.483 -15.847 1.00 0.00 O ATOM 719 CB ASP A 81 -8.310 -2.579 -12.986 1.00 0.00 C ATOM 720 CG ASP A 81 -9.767 -2.967 -12.724 1.00 0.00 C ATOM 721 OD1 ASP A 81 -10.532 -2.992 -13.673 1.00 0.00 O ATOM 722 OD2 ASP A 81 -10.091 -3.231 -11.578 1.00 0.00 O ATOM 0 H ASP A 81 -10.025 -1.213 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.104 -1.951 -14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.650 -3.408 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.027 -1.739 -12.352 1.00 0.00 H new ATOM 727 N LEU A 82 -7.597 -4.296 -15.553 1.00 0.00 N ATOM 728 CA LEU A 82 -7.889 -5.484 -16.403 1.00 0.00 C ATOM 729 C LEU A 82 -8.110 -6.707 -15.515 1.00 0.00 C ATOM 730 O LEU A 82 -8.554 -7.744 -15.966 1.00 0.00 O ATOM 731 CB LEU A 82 -6.639 -5.681 -17.261 1.00 0.00 C ATOM 732 CG LEU A 82 -6.557 -4.583 -18.320 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.346 -3.229 -17.640 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.378 -4.869 -19.253 1.00 0.00 C ATOM 0 H LEU A 82 -6.655 -4.265 -15.163 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.783 -5.348 -17.011 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.749 -5.659 -16.632 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.667 -6.659 -17.741 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.484 -4.561 -18.893 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.288 -2.447 -18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.181 -3.024 -16.970 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.419 -3.250 -17.068 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.316 -4.088 -20.011 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.454 -4.889 -18.676 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.524 -5.834 -19.738 1.00 0.00 H new ATOM 746 N GLY A 83 -7.792 -6.597 -14.254 1.00 0.00 N ATOM 747 CA GLY A 83 -7.972 -7.752 -13.337 1.00 0.00 C ATOM 748 C GLY A 83 -6.735 -8.648 -13.408 1.00 0.00 C ATOM 749 O GLY A 83 -5.620 -8.174 -13.541 1.00 0.00 O ATOM 0 H GLY A 83 -7.415 -5.754 -13.821 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.123 -7.401 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.862 -8.317 -13.615 1.00 0.00 H new ATOM 753 N TRP A 84 -6.924 -9.937 -13.323 1.00 0.00 N ATOM 754 CA TRP A 84 -5.767 -10.877 -13.381 1.00 0.00 C ATOM 755 C TRP A 84 -5.742 -11.610 -14.729 1.00 0.00 C ATOM 756 O TRP A 84 -6.731 -12.171 -15.158 1.00 0.00 O ATOM 757 CB TRP A 84 -6.018 -11.873 -12.246 1.00 0.00 C ATOM 758 CG TRP A 84 -5.467 -11.333 -10.964 1.00 0.00 C ATOM 759 CD1 TRP A 84 -4.191 -11.489 -10.539 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.151 -10.565 -9.932 1.00 0.00 C ATOM 761 NE1 TRP A 84 -4.047 -10.860 -9.315 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.228 -10.277 -8.898 1.00 0.00 C ATOM 763 CE3 TRP A 84 -7.469 -10.092 -9.793 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -5.599 -9.547 -7.768 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -7.846 -9.357 -8.658 1.00 0.00 C ATOM 766 CH2 TRP A 84 -6.912 -9.084 -7.648 1.00 0.00 C ATOM 0 H TRP A 84 -7.835 -10.382 -13.215 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.812 -10.362 -13.280 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.087 -12.059 -12.143 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.550 -12.829 -12.479 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.413 -12.018 -11.069 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.176 -10.830 -8.786 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.196 -10.296 -10.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.877 -9.341 -6.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.861 -9.000 -8.562 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.207 -8.516 -6.778 1.00 0.00 H new ATOM 777 N MET A 85 -4.619 -11.619 -15.397 1.00 0.00 N ATOM 778 CA MET A 85 -4.533 -12.327 -16.709 1.00 0.00 C ATOM 779 C MET A 85 -3.360 -13.311 -16.695 1.00 0.00 C ATOM 780 O MET A 85 -2.316 -13.038 -16.134 1.00 0.00 O ATOM 781 CB MET A 85 -4.311 -11.229 -17.749 1.00 0.00 C ATOM 782 CG MET A 85 -2.926 -10.611 -17.554 1.00 0.00 C ATOM 783 SD MET A 85 -2.791 -9.111 -18.557 1.00 0.00 S ATOM 784 CE MET A 85 -4.281 -8.289 -17.941 1.00 0.00 C ATOM 0 H MET A 85 -3.757 -11.167 -15.091 1.00 0.00 H new ATOM 0 HA MET A 85 -5.431 -12.905 -16.927 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.398 -11.643 -18.754 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.080 -10.462 -17.653 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.766 -10.374 -16.502 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.154 -11.324 -17.841 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.267 -7.240 -18.238 1.00 0.00 H new ATOM 0 HE2 MET A 85 -5.163 -8.773 -18.360 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.311 -8.358 -16.854 1.00 0.00 H new ATOM 794 N THR A 86 -3.526 -14.460 -17.291 1.00 0.00 N ATOM 795 CA THR A 86 -2.424 -15.466 -17.289 1.00 0.00 C ATOM 796 C THR A 86 -1.676 -15.481 -18.627 1.00 0.00 C ATOM 797 O THR A 86 -0.517 -15.127 -18.702 1.00 0.00 O ATOM 798 CB THR A 86 -3.124 -16.805 -17.056 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.840 -17.173 -18.228 1.00 0.00 O ATOM 800 CG2 THR A 86 -4.094 -16.676 -15.880 1.00 0.00 C ATOM 0 H THR A 86 -4.375 -14.746 -17.779 1.00 0.00 H new ATOM 0 HA THR A 86 -1.677 -15.243 -16.528 1.00 0.00 H new ATOM 0 HB THR A 86 -2.382 -17.571 -16.829 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.288 -18.032 -18.081 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.593 -17.631 -15.714 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.543 -16.394 -14.983 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.838 -15.912 -16.104 1.00 0.00 H new ATOM 808 N ARG A 87 -2.320 -15.910 -19.677 1.00 0.00 N ATOM 809 CA ARG A 87 -1.634 -15.969 -21.001 1.00 0.00 C ATOM 810 C ARG A 87 -1.612 -14.595 -21.676 1.00 0.00 C ATOM 811 O ARG A 87 -0.719 -14.286 -22.438 1.00 0.00 O ATOM 812 CB ARG A 87 -2.457 -16.961 -21.822 1.00 0.00 C ATOM 813 CG ARG A 87 -2.302 -18.361 -21.227 1.00 0.00 C ATOM 814 CD ARG A 87 -3.051 -19.375 -22.095 1.00 0.00 C ATOM 815 NE ARG A 87 -2.720 -20.701 -21.504 1.00 0.00 N ATOM 816 CZ ARG A 87 -3.482 -21.211 -20.575 1.00 0.00 C ATOM 817 NH1 ARG A 87 -4.765 -21.330 -20.778 1.00 0.00 N ATOM 818 NH2 ARG A 87 -2.960 -21.599 -19.443 1.00 0.00 N ATOM 0 H ARG A 87 -3.291 -16.222 -19.677 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.592 -16.274 -20.905 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.507 -16.668 -21.822 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.124 -16.956 -22.860 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.247 -18.627 -21.168 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.693 -18.380 -20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.125 -19.192 -22.079 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.733 -19.316 -23.136 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.897 -21.211 -21.825 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.172 -21.025 -21.662 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.361 -21.728 -20.053 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.957 -21.504 -19.285 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.555 -21.998 -18.717 1.00 0.00 H new ATOM 832 N GLY A 88 -2.583 -13.768 -21.410 1.00 0.00 N ATOM 833 CA GLY A 88 -2.600 -12.421 -22.048 1.00 0.00 C ATOM 834 C GLY A 88 -3.957 -11.759 -21.818 1.00 0.00 C ATOM 835 O GLY A 88 -4.768 -12.234 -21.050 1.00 0.00 O ATOM 0 H GLY A 88 -3.362 -13.964 -20.782 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.807 -11.801 -21.631 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.405 -12.512 -23.117 1.00 0.00 H new ATOM 839 N SER A 89 -4.211 -10.657 -22.474 1.00 0.00 N ATOM 840 CA SER A 89 -5.518 -9.968 -22.285 1.00 0.00 C ATOM 841 C SER A 89 -6.015 -9.373 -23.606 1.00 0.00 C ATOM 842 O SER A 89 -7.146 -9.581 -23.998 1.00 0.00 O ATOM 843 CB SER A 89 -5.241 -8.862 -21.268 1.00 0.00 C ATOM 844 OG SER A 89 -6.461 -8.200 -20.954 1.00 0.00 O ATOM 0 H SER A 89 -3.572 -10.207 -23.129 1.00 0.00 H new ATOM 0 HA SER A 89 -6.293 -10.654 -21.943 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.799 -9.284 -20.365 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.521 -8.151 -21.673 1.00 0.00 H new ATOM 0 HG SER A 89 -6.424 -7.864 -20.034 1.00 0.00 H new ATOM 850 N MET A 90 -5.192 -8.628 -24.295 1.00 0.00 N ATOM 851 CA MET A 90 -5.654 -8.025 -25.580 1.00 0.00 C ATOM 852 C MET A 90 -4.833 -8.537 -26.771 1.00 0.00 C ATOM 853 O MET A 90 -5.131 -9.571 -27.335 1.00 0.00 O ATOM 854 CB MET A 90 -5.471 -6.518 -25.403 1.00 0.00 C ATOM 855 CG MET A 90 -6.790 -5.903 -24.934 1.00 0.00 C ATOM 856 SD MET A 90 -7.229 -4.516 -26.010 1.00 0.00 S ATOM 857 CE MET A 90 -7.135 -3.218 -24.754 1.00 0.00 C ATOM 0 H MET A 90 -4.231 -8.412 -24.028 1.00 0.00 H new ATOM 0 HA MET A 90 -6.689 -8.292 -25.795 1.00 0.00 H new ATOM 0 HB2 MET A 90 -4.684 -6.318 -24.676 1.00 0.00 H new ATOM 0 HB3 MET A 90 -5.159 -6.065 -26.344 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.580 -6.654 -24.951 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.698 -5.562 -23.903 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.374 -2.256 -25.207 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.847 -3.431 -23.957 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.127 -3.184 -24.341 1.00 0.00 H new ATOM 867 N VAL A 91 -3.821 -7.815 -27.182 1.00 0.00 N ATOM 868 CA VAL A 91 -3.024 -8.267 -28.361 1.00 0.00 C ATOM 869 C VAL A 91 -1.578 -8.615 -27.977 1.00 0.00 C ATOM 870 O VAL A 91 -1.207 -8.614 -26.819 1.00 0.00 O ATOM 871 CB VAL A 91 -3.064 -7.085 -29.333 1.00 0.00 C ATOM 872 CG1 VAL A 91 -4.447 -7.008 -29.980 1.00 0.00 C ATOM 873 CG2 VAL A 91 -2.792 -5.785 -28.573 1.00 0.00 C ATOM 0 H VAL A 91 -3.515 -6.940 -26.756 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.434 -9.179 -28.796 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.304 -7.224 -30.102 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.478 -6.167 -30.673 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.647 -7.932 -30.522 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.203 -6.870 -29.207 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.821 -4.945 -29.267 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.552 -5.647 -27.804 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.809 -5.836 -28.106 1.00 0.00 H new ATOM 883 N GLY A 92 -0.770 -8.934 -28.956 1.00 0.00 N ATOM 884 CA GLY A 92 0.650 -9.314 -28.693 1.00 0.00 C ATOM 885 C GLY A 92 1.452 -8.152 -28.088 1.00 0.00 C ATOM 886 O GLY A 92 2.183 -8.352 -27.140 1.00 0.00 O ATOM 0 H GLY A 92 -1.039 -8.947 -29.940 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.678 -10.166 -28.014 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.119 -9.633 -29.624 1.00 0.00 H new ATOM 890 N PRO A 93 1.320 -6.977 -28.654 1.00 0.00 N ATOM 891 CA PRO A 93 2.086 -5.814 -28.140 1.00 0.00 C ATOM 892 C PRO A 93 1.622 -5.439 -26.732 1.00 0.00 C ATOM 893 O PRO A 93 2.422 -5.132 -25.870 1.00 0.00 O ATOM 894 CB PRO A 93 1.784 -4.706 -29.147 1.00 0.00 C ATOM 895 CG PRO A 93 0.485 -5.101 -29.764 1.00 0.00 C ATOM 896 CD PRO A 93 0.466 -6.606 -29.790 1.00 0.00 C ATOM 0 HA PRO A 93 3.154 -6.011 -28.051 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.711 -3.735 -28.658 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.571 -4.627 -29.897 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.353 -4.712 -29.186 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.394 -4.694 -30.771 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.545 -6.997 -29.677 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.856 -6.997 -30.730 1.00 0.00 H new ATOM 904 N PHE A 94 0.346 -5.473 -26.484 1.00 0.00 N ATOM 905 CA PHE A 94 -0.151 -5.130 -25.122 1.00 0.00 C ATOM 906 C PHE A 94 0.127 -6.293 -24.164 1.00 0.00 C ATOM 907 O PHE A 94 0.456 -6.100 -23.009 1.00 0.00 O ATOM 908 CB PHE A 94 -1.657 -4.916 -25.289 1.00 0.00 C ATOM 909 CG PHE A 94 -2.258 -4.535 -23.959 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.075 -3.242 -23.454 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.994 -5.475 -23.229 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.628 -2.890 -22.217 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.547 -5.123 -21.992 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.364 -3.830 -21.486 1.00 0.00 C ATOM 0 H PHE A 94 -0.375 -5.722 -27.162 1.00 0.00 H new ATOM 0 HA PHE A 94 0.337 -4.247 -24.708 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.845 -4.133 -26.024 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.125 -5.825 -25.665 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.508 -2.517 -24.018 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.135 -6.472 -23.620 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.487 -1.893 -21.827 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.115 -5.848 -21.428 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.791 -3.558 -20.532 1.00 0.00 H new ATOM 924 N GLN A 95 -0.003 -7.501 -24.643 1.00 0.00 N ATOM 925 CA GLN A 95 0.248 -8.691 -23.778 1.00 0.00 C ATOM 926 C GLN A 95 1.753 -8.907 -23.589 1.00 0.00 C ATOM 927 O GLN A 95 2.238 -9.031 -22.481 1.00 0.00 O ATOM 928 CB GLN A 95 -0.376 -9.857 -24.549 1.00 0.00 C ATOM 929 CG GLN A 95 -0.092 -11.176 -23.827 1.00 0.00 C ATOM 930 CD GLN A 95 -0.605 -12.338 -24.681 1.00 0.00 C ATOM 931 OE1 GLN A 95 -1.562 -12.190 -25.416 1.00 0.00 O ATOM 932 NE2 GLN A 95 -0.004 -13.495 -24.620 1.00 0.00 N ATOM 0 H GLN A 95 -0.274 -7.716 -25.602 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.175 -8.581 -22.779 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.452 -9.708 -24.641 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.029 -9.893 -25.560 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.978 -11.284 -23.650 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.579 -11.183 -22.852 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.799 -13.621 -24.004 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.337 -14.273 -25.189 1.00 0.00 H new ATOM 941 N GLU A 96 2.497 -8.952 -24.660 1.00 0.00 N ATOM 942 CA GLU A 96 3.969 -9.162 -24.539 1.00 0.00 C ATOM 943 C GLU A 96 4.593 -8.074 -23.662 1.00 0.00 C ATOM 944 O GLU A 96 5.467 -8.337 -22.860 1.00 0.00 O ATOM 945 CB GLU A 96 4.501 -9.068 -25.970 1.00 0.00 C ATOM 946 CG GLU A 96 5.998 -9.378 -25.982 1.00 0.00 C ATOM 947 CD GLU A 96 6.562 -9.094 -27.375 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.779 -8.786 -28.257 1.00 0.00 O ATOM 949 OE2 GLU A 96 7.768 -9.191 -27.536 1.00 0.00 O ATOM 0 H GLU A 96 2.150 -8.853 -25.614 1.00 0.00 H new ATOM 0 HA GLU A 96 4.211 -10.118 -24.075 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.969 -9.769 -26.613 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.323 -8.070 -26.370 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.513 -8.770 -25.238 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.167 -10.421 -25.714 1.00 0.00 H new ATOM 956 N ALA A 97 4.152 -6.856 -23.810 1.00 0.00 N ATOM 957 CA ALA A 97 4.722 -5.752 -22.985 1.00 0.00 C ATOM 958 C ALA A 97 4.417 -5.988 -21.505 1.00 0.00 C ATOM 959 O ALA A 97 5.313 -6.170 -20.697 1.00 0.00 O ATOM 960 CB ALA A 97 4.019 -4.488 -23.479 1.00 0.00 C ATOM 0 H ALA A 97 3.422 -6.576 -24.466 1.00 0.00 H new ATOM 0 HA ALA A 97 5.806 -5.682 -23.080 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.384 -3.627 -22.920 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.227 -4.347 -24.540 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.944 -4.588 -23.330 1.00 0.00 H new ATOM 966 N ALA A 98 3.156 -5.985 -21.152 1.00 0.00 N ATOM 967 CA ALA A 98 2.763 -6.206 -19.729 1.00 0.00 C ATOM 968 C ALA A 98 3.670 -7.249 -19.072 1.00 0.00 C ATOM 969 O ALA A 98 4.320 -6.985 -18.083 1.00 0.00 O ATOM 970 CB ALA A 98 1.323 -6.718 -19.798 1.00 0.00 C ATOM 0 H ALA A 98 2.377 -5.838 -21.794 1.00 0.00 H new ATOM 0 HA ALA A 98 2.852 -5.297 -19.133 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.955 -6.907 -18.789 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.694 -5.970 -20.280 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.293 -7.643 -20.374 1.00 0.00 H new ATOM 976 N PHE A 99 3.712 -8.433 -19.613 1.00 0.00 N ATOM 977 CA PHE A 99 4.569 -9.497 -19.014 1.00 0.00 C ATOM 978 C PHE A 99 6.059 -9.167 -19.182 1.00 0.00 C ATOM 979 O PHE A 99 6.903 -9.767 -18.550 1.00 0.00 O ATOM 980 CB PHE A 99 4.214 -10.766 -19.792 1.00 0.00 C ATOM 981 CG PHE A 99 3.025 -11.443 -19.149 1.00 0.00 C ATOM 982 CD1 PHE A 99 3.165 -12.076 -17.909 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.785 -11.440 -19.798 1.00 0.00 C ATOM 984 CE1 PHE A 99 2.063 -12.705 -17.316 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.684 -12.068 -19.205 1.00 0.00 C ATOM 986 CZ PHE A 99 0.823 -12.701 -17.964 1.00 0.00 C ATOM 0 H PHE A 99 3.191 -8.712 -20.444 1.00 0.00 H new ATOM 0 HA PHE A 99 4.397 -9.601 -17.943 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.986 -10.517 -20.828 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.067 -11.445 -19.808 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.122 -12.080 -17.409 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.678 -10.953 -20.756 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.170 -13.193 -16.359 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.273 -12.064 -19.705 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.027 -13.186 -17.507 1.00 0.00 H new ATOM 996 N ALA A 100 6.399 -8.241 -20.040 1.00 0.00 N ATOM 997 CA ALA A 100 7.845 -7.927 -20.237 1.00 0.00 C ATOM 998 C ALA A 100 8.104 -6.416 -20.271 1.00 0.00 C ATOM 999 O ALA A 100 8.899 -5.944 -21.059 1.00 0.00 O ATOM 1000 CB ALA A 100 8.195 -8.551 -21.588 1.00 0.00 C ATOM 0 H ALA A 100 5.749 -7.695 -20.606 1.00 0.00 H new ATOM 0 HA ALA A 100 8.450 -8.316 -19.417 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.246 -8.367 -21.813 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.015 -9.625 -21.550 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.574 -8.106 -22.366 1.00 0.00 H new ATOM 1006 N LEU A 101 7.461 -5.651 -19.428 1.00 0.00 N ATOM 1007 CA LEU A 101 7.715 -4.174 -19.442 1.00 0.00 C ATOM 1008 C LEU A 101 8.569 -3.749 -18.233 1.00 0.00 C ATOM 1009 O LEU A 101 8.100 -3.045 -17.361 1.00 0.00 O ATOM 1010 CB LEU A 101 6.334 -3.497 -19.399 1.00 0.00 C ATOM 1011 CG LEU A 101 5.367 -4.255 -18.477 1.00 0.00 C ATOM 1012 CD1 LEU A 101 5.960 -4.376 -17.076 1.00 0.00 C ATOM 1013 CD2 LEU A 101 4.049 -3.483 -18.392 1.00 0.00 C ATOM 0 H LEU A 101 6.781 -5.975 -18.740 1.00 0.00 H new ATOM 0 HA LEU A 101 8.270 -3.882 -20.333 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.441 -2.470 -19.051 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.918 -3.450 -20.406 1.00 0.00 H new ATOM 0 HG LEU A 101 5.197 -5.252 -18.882 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.265 -4.915 -16.432 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.904 -4.919 -17.126 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.135 -3.381 -16.668 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.357 -4.015 -17.739 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.236 -2.488 -17.989 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.614 -3.395 -19.387 1.00 0.00 H new ATOM 1138 N VAL A 110 6.482 -1.667 -12.755 1.00 0.00 N ATOM 1139 CA VAL A 110 5.168 -1.220 -12.214 1.00 0.00 C ATOM 1140 C VAL A 110 4.457 -0.312 -13.218 1.00 0.00 C ATOM 1141 O VAL A 110 3.256 -0.156 -13.173 1.00 0.00 O ATOM 1142 CB VAL A 110 5.492 -0.463 -10.927 1.00 0.00 C ATOM 1143 CG1 VAL A 110 6.487 0.661 -11.219 1.00 0.00 C ATOM 1144 CG2 VAL A 110 4.204 0.131 -10.356 1.00 0.00 C ATOM 0 HA VAL A 110 4.499 -2.059 -12.025 1.00 0.00 H new ATOM 0 HB VAL A 110 5.934 -1.150 -10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.713 1.196 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.405 0.238 -11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.054 1.352 -11.942 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.429 0.673 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 110 3.766 0.815 -11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 110 3.498 -0.671 -10.141 1.00 0.00 H new ATOM 1154 N PHE A 111 5.183 0.284 -14.122 1.00 0.00 N ATOM 1155 CA PHE A 111 4.539 1.178 -15.121 1.00 0.00 C ATOM 1156 C PHE A 111 5.224 1.028 -16.482 1.00 0.00 C ATOM 1157 O PHE A 111 6.392 0.703 -16.568 1.00 0.00 O ATOM 1158 CB PHE A 111 4.740 2.580 -14.556 1.00 0.00 C ATOM 1159 CG PHE A 111 4.529 3.600 -15.630 1.00 0.00 C ATOM 1160 CD1 PHE A 111 5.574 3.927 -16.497 1.00 0.00 C ATOM 1161 CD2 PHE A 111 3.293 4.228 -15.748 1.00 0.00 C ATOM 1162 CE1 PHE A 111 5.381 4.894 -17.489 1.00 0.00 C ATOM 1163 CE2 PHE A 111 3.095 5.190 -16.740 1.00 0.00 C ATOM 1164 CZ PHE A 111 4.137 5.525 -17.610 1.00 0.00 C ATOM 0 H PHE A 111 6.195 0.190 -14.211 1.00 0.00 H new ATOM 0 HA PHE A 111 3.485 0.949 -15.281 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.043 2.754 -13.736 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.745 2.675 -14.145 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.530 3.434 -16.402 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.489 3.972 -15.074 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.188 5.153 -18.159 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.135 5.676 -16.836 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.982 6.271 -18.376 1.00 0.00 H new ATOM 1174 N THR A 112 4.505 1.254 -17.546 1.00 0.00 N ATOM 1175 CA THR A 112 5.111 1.117 -18.903 1.00 0.00 C ATOM 1176 C THR A 112 5.801 2.419 -19.321 1.00 0.00 C ATOM 1177 O THR A 112 5.158 3.420 -19.567 1.00 0.00 O ATOM 1178 CB THR A 112 3.934 0.814 -19.832 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.216 -0.313 -19.344 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.455 0.516 -21.239 1.00 0.00 C ATOM 0 H THR A 112 3.523 1.528 -17.536 1.00 0.00 H new ATOM 0 HA THR A 112 5.872 0.337 -18.933 1.00 0.00 H new ATOM 0 HB THR A 112 3.271 1.678 -19.865 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.084 -0.957 -20.071 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.615 0.300 -21.900 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.000 1.381 -21.616 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.121 -0.346 -21.205 1.00 0.00 H new ATOM 1188 N ASP A 113 7.103 2.411 -19.407 1.00 0.00 N ATOM 1189 CA ASP A 113 7.832 3.647 -19.813 1.00 0.00 C ATOM 1190 C ASP A 113 8.882 3.312 -20.885 1.00 0.00 C ATOM 1191 O ASP A 113 9.796 2.554 -20.626 1.00 0.00 O ATOM 1192 CB ASP A 113 8.517 4.136 -18.536 1.00 0.00 C ATOM 1193 CG ASP A 113 9.061 5.548 -18.760 1.00 0.00 C ATOM 1194 OD1 ASP A 113 10.047 5.676 -19.466 1.00 0.00 O ATOM 1195 OD2 ASP A 113 8.481 6.477 -18.222 1.00 0.00 O ATOM 0 H ASP A 113 7.694 1.602 -19.214 1.00 0.00 H new ATOM 0 HA ASP A 113 7.167 4.400 -20.237 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.809 4.134 -17.707 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.328 3.461 -18.264 1.00 0.00 H new ATOM 1200 N PRO A 114 8.730 3.878 -22.062 1.00 0.00 N ATOM 1201 CA PRO A 114 7.604 4.800 -22.352 1.00 0.00 C ATOM 1202 C PRO A 114 6.322 4.001 -22.603 1.00 0.00 C ATOM 1203 O PRO A 114 6.351 2.788 -22.668 1.00 0.00 O ATOM 1204 CB PRO A 114 8.049 5.522 -23.619 1.00 0.00 C ATOM 1205 CG PRO A 114 9.012 4.593 -24.289 1.00 0.00 C ATOM 1206 CD PRO A 114 9.603 3.699 -23.228 1.00 0.00 C ATOM 0 HA PRO A 114 7.385 5.486 -21.533 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.199 5.740 -24.266 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.522 6.475 -23.382 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.504 4.000 -25.049 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.797 5.156 -24.795 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.622 2.659 -23.552 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.631 3.981 -23.000 1.00 0.00 H new ATOM 1214 N PRO A 115 5.235 4.711 -22.742 1.00 0.00 N ATOM 1215 CA PRO A 115 3.930 4.056 -22.996 1.00 0.00 C ATOM 1216 C PRO A 115 3.896 3.489 -24.419 1.00 0.00 C ATOM 1217 O PRO A 115 4.835 3.641 -25.175 1.00 0.00 O ATOM 1218 CB PRO A 115 2.921 5.188 -22.822 1.00 0.00 C ATOM 1219 CG PRO A 115 3.694 6.441 -23.084 1.00 0.00 C ATOM 1220 CD PRO A 115 5.121 6.172 -22.682 1.00 0.00 C ATOM 0 HA PRO A 115 3.726 3.216 -22.332 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.089 5.085 -23.518 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.498 5.188 -21.817 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.636 6.717 -24.137 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.283 7.274 -22.513 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.825 6.656 -23.359 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.332 6.548 -21.681 1.00 0.00 H new ATOM 1228 N VAL A 116 2.833 2.829 -24.790 1.00 0.00 N ATOM 1229 CA VAL A 116 2.768 2.252 -26.164 1.00 0.00 C ATOM 1230 C VAL A 116 1.840 3.080 -27.060 1.00 0.00 C ATOM 1231 O VAL A 116 0.888 3.683 -26.604 1.00 0.00 O ATOM 1232 CB VAL A 116 2.215 0.839 -25.981 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.229 -0.017 -25.214 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.906 0.904 -25.193 1.00 0.00 C ATOM 0 H VAL A 116 2.012 2.665 -24.207 1.00 0.00 H new ATOM 0 HA VAL A 116 3.745 2.249 -26.647 1.00 0.00 H new ATOM 0 HB VAL A 116 2.032 0.393 -26.959 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.832 -1.024 -25.085 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.163 -0.064 -25.774 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.415 0.428 -24.236 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.510 -0.103 -25.062 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.091 1.352 -24.216 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.183 1.510 -25.739 1.00 0.00 H new ATOM 1244 N LYS A 117 2.112 3.097 -28.336 1.00 0.00 N ATOM 1245 CA LYS A 117 1.258 3.866 -29.290 1.00 0.00 C ATOM 1246 C LYS A 117 0.595 2.889 -30.266 1.00 0.00 C ATOM 1247 O LYS A 117 1.267 2.151 -30.958 1.00 0.00 O ATOM 1248 CB LYS A 117 2.236 4.780 -30.029 1.00 0.00 C ATOM 1249 CG LYS A 117 1.477 5.638 -31.043 1.00 0.00 C ATOM 1250 CD LYS A 117 2.475 6.310 -31.986 1.00 0.00 C ATOM 1251 CE LYS A 117 1.744 7.325 -32.866 1.00 0.00 C ATOM 1252 NZ LYS A 117 2.771 8.348 -33.206 1.00 0.00 N ATOM 0 H LYS A 117 2.897 2.606 -28.764 1.00 0.00 H new ATOM 0 HA LYS A 117 0.465 4.431 -28.800 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.759 5.419 -29.318 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.993 4.183 -30.538 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.782 5.020 -31.611 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.883 6.392 -30.526 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.256 6.808 -31.411 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.965 5.561 -32.608 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.344 6.854 -33.764 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.902 7.771 -32.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.345 9.080 -33.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.129 8.784 -32.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.557 7.895 -33.714 1.00 0.00 H new ATOM 1266 N THR A 118 -0.710 2.852 -30.324 1.00 0.00 N ATOM 1267 CA THR A 118 -1.367 1.885 -31.255 1.00 0.00 C ATOM 1268 C THR A 118 -2.516 2.535 -32.033 1.00 0.00 C ATOM 1269 O THR A 118 -2.855 3.683 -31.824 1.00 0.00 O ATOM 1270 CB THR A 118 -1.888 0.775 -30.345 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.761 1.332 -29.372 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.707 0.100 -29.646 1.00 0.00 C ATOM 0 H THR A 118 -1.341 3.438 -29.778 1.00 0.00 H new ATOM 0 HA THR A 118 -0.674 1.519 -32.012 1.00 0.00 H new ATOM 0 HB THR A 118 -2.430 0.039 -30.938 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.180 0.611 -28.858 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.075 -0.693 -28.995 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.037 -0.325 -30.393 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.167 0.837 -29.051 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.111 1.798 -32.938 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.237 2.353 -33.749 1.00 0.00 C ATOM 1282 C LYS A 119 -5.455 2.613 -32.863 1.00 0.00 C ATOM 1283 O LYS A 119 -6.375 3.308 -33.245 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.554 1.273 -34.784 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.414 1.182 -35.800 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.488 -0.164 -36.524 1.00 0.00 C ATOM 1287 CE LYS A 119 -2.455 -0.199 -37.653 1.00 0.00 C ATOM 1288 NZ LYS A 119 -2.549 -1.573 -38.220 1.00 0.00 N ATOM 0 H LYS A 119 -2.864 0.832 -33.150 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.975 3.303 -34.215 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.691 0.311 -34.290 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.489 1.506 -35.292 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.486 1.999 -36.518 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.453 1.284 -35.296 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.301 -0.976 -35.822 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.489 -0.316 -36.929 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.671 0.556 -38.409 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.452 0.005 -37.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.869 -1.674 -39.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.331 -2.270 -37.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.512 -1.736 -38.577 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.461 2.075 -31.678 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.615 2.314 -30.760 1.00 0.00 C ATOM 1304 C PHE A 120 -6.185 3.300 -29.681 1.00 0.00 C ATOM 1305 O PHE A 120 -6.621 3.235 -28.549 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.000 0.959 -30.140 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.801 0.040 -30.040 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.349 -0.656 -31.171 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.148 -0.119 -28.814 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.243 -1.508 -31.072 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.042 -0.973 -28.715 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.589 -1.666 -29.843 1.00 0.00 C ATOM 0 H PHE A 120 -4.721 1.481 -31.303 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.471 2.733 -31.289 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.423 1.118 -29.148 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.774 0.486 -30.745 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.854 -0.534 -32.118 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.496 0.417 -27.943 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.894 -2.043 -31.943 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.539 -1.097 -27.767 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.735 -2.323 -29.766 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.325 4.214 -30.033 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.848 5.214 -29.044 1.00 0.00 C ATOM 1324 C GLY A 121 -3.610 4.674 -28.330 1.00 0.00 C ATOM 1325 O GLY A 121 -3.227 3.533 -28.508 1.00 0.00 O ATOM 0 H GLY A 121 -4.931 4.310 -30.969 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.611 6.153 -29.545 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.634 5.429 -28.320 1.00 0.00 H new ATOM 1329 N TYR A 122 -2.991 5.472 -27.508 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.799 4.978 -26.767 1.00 0.00 C ATOM 1331 C TYR A 122 -2.221 4.620 -25.346 1.00 0.00 C ATOM 1332 O TYR A 122 -3.185 5.149 -24.829 1.00 0.00 O ATOM 1333 CB TYR A 122 -0.760 6.104 -26.793 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.255 7.349 -26.092 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -2.134 8.231 -26.735 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -0.796 7.637 -24.803 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.550 9.399 -26.085 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.216 8.802 -24.152 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.090 9.683 -24.793 1.00 0.00 C ATOM 1340 OH TYR A 122 -2.492 10.837 -24.154 1.00 0.00 O ATOM 0 H TYR A 122 -3.256 6.438 -27.318 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.369 4.083 -27.216 1.00 0.00 H new ATOM 0 HB2 TYR A 122 0.158 5.761 -26.317 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.512 6.345 -27.827 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.490 8.010 -27.730 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -0.116 6.959 -24.309 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -3.226 10.081 -26.580 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.865 9.020 -23.154 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.246 10.637 -23.560 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.551 3.693 -24.721 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.983 3.288 -23.357 1.00 0.00 C ATOM 1352 C HIS A 123 -0.826 3.265 -22.359 1.00 0.00 C ATOM 1353 O HIS A 123 0.333 3.175 -22.716 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.534 1.873 -23.538 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.439 1.825 -24.739 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.763 1.442 -24.643 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.226 2.115 -26.064 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.297 1.511 -25.877 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.401 1.916 -26.781 1.00 0.00 N ATOM 0 H HIS A 123 -0.735 3.205 -25.090 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.709 3.994 -22.953 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.713 1.167 -23.662 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -3.083 1.570 -22.646 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.289 2.447 -26.485 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.324 1.269 -26.108 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.547 2.050 -27.782 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.164 3.318 -21.100 1.00 0.00 N ATOM 1368 CA ILE A 124 -0.141 3.269 -20.020 1.00 0.00 C ATOM 1369 C ILE A 124 -0.519 2.138 -19.061 1.00 0.00 C ATOM 1370 O ILE A 124 -1.629 2.085 -18.574 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.244 4.620 -19.324 1.00 0.00 C ATOM 1372 CG1 ILE A 124 0.407 5.698 -20.193 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.467 4.548 -17.978 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.645 6.734 -20.591 1.00 0.00 C ATOM 0 H ILE A 124 -2.126 3.395 -20.769 1.00 0.00 H new ATOM 0 HA ILE A 124 0.871 3.086 -20.382 1.00 0.00 H new ATOM 0 HB ILE A 124 -1.293 4.871 -19.169 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.219 6.179 -19.647 1.00 0.00 H new ATOM 0 HG13 ILE A 124 0.845 5.247 -21.084 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.396 5.513 -17.477 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -0.001 3.782 -17.360 1.00 0.00 H new ATOM 0 HG23 ILE A 124 1.516 4.297 -18.134 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.183 7.503 -21.210 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.442 6.246 -21.153 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.062 7.193 -19.694 1.00 0.00 H new ATOM 1386 N ILE A 125 0.363 1.212 -18.814 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.013 0.074 -17.923 1.00 0.00 C ATOM 1388 C ILE A 125 0.647 0.158 -16.545 1.00 0.00 C ATOM 1389 O ILE A 125 1.827 0.414 -16.412 1.00 0.00 O ATOM 1390 CB ILE A 125 0.462 -1.180 -18.657 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.175 -1.026 -20.158 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.284 -2.399 -18.101 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.144 -2.397 -20.838 1.00 0.00 C ATOM 0 H ILE A 125 1.314 1.190 -19.182 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.086 0.078 -17.733 1.00 0.00 H new ATOM 0 HB ILE A 125 1.533 -1.317 -18.511 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.779 -0.520 -20.302 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.940 -0.401 -20.619 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.050 -3.298 -18.620 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.077 -2.497 -17.035 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.356 -2.270 -18.252 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.060 -2.271 -21.901 1.00 0.00 H new ATOM 0 HD12 ILE A 125 1.108 -2.889 -20.710 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.638 -3.009 -20.388 1.00 0.00 H new ATOM 1405 N MET A 126 -0.122 -0.102 -15.523 1.00 0.00 N ATOM 1406 CA MET A 126 0.414 -0.097 -14.134 1.00 0.00 C ATOM 1407 C MET A 126 0.136 -1.471 -13.516 1.00 0.00 C ATOM 1408 O MET A 126 -0.982 -1.777 -13.152 1.00 0.00 O ATOM 1409 CB MET A 126 -0.362 1.004 -13.405 1.00 0.00 C ATOM 1410 CG MET A 126 0.282 1.269 -12.043 1.00 0.00 C ATOM 1411 SD MET A 126 1.774 2.271 -12.264 1.00 0.00 S ATOM 1412 CE MET A 126 0.966 3.890 -12.243 1.00 0.00 C ATOM 0 H MET A 126 -1.116 -0.321 -15.594 1.00 0.00 H new ATOM 0 HA MET A 126 1.487 0.089 -14.079 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.365 1.917 -14.001 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.402 0.705 -13.275 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.422 1.785 -11.390 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.533 0.326 -11.558 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.710 4.666 -12.063 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.482 4.067 -13.203 1.00 0.00 H new ATOM 0 HE3 MET A 126 0.219 3.913 -11.450 1.00 0.00 H new ATOM 1422 N VAL A 127 1.126 -2.318 -13.433 1.00 0.00 N ATOM 1423 CA VAL A 127 0.882 -3.689 -12.884 1.00 0.00 C ATOM 1424 C VAL A 127 1.383 -3.833 -11.444 1.00 0.00 C ATOM 1425 O VAL A 127 2.509 -3.507 -11.124 1.00 0.00 O ATOM 1426 CB VAL A 127 1.653 -4.627 -13.815 1.00 0.00 C ATOM 1427 CG1 VAL A 127 3.151 -4.332 -13.719 1.00 0.00 C ATOM 1428 CG2 VAL A 127 1.394 -6.080 -13.409 1.00 0.00 C ATOM 0 H VAL A 127 2.086 -2.126 -13.718 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.184 -3.913 -12.847 1.00 0.00 H new ATOM 0 HB VAL A 127 1.318 -4.470 -14.840 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.697 -5.002 -14.383 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.338 -3.299 -14.012 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.487 -4.485 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 127 1.944 -6.747 -14.073 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.726 -6.236 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.328 -6.294 -13.482 1.00 0.00 H new ATOM 1438 N GLU A 128 0.541 -4.334 -10.578 1.00 0.00 N ATOM 1439 CA GLU A 128 0.936 -4.527 -9.153 1.00 0.00 C ATOM 1440 C GLU A 128 0.322 -5.824 -8.617 1.00 0.00 C ATOM 1441 O GLU A 128 -0.836 -6.112 -8.849 1.00 0.00 O ATOM 1442 CB GLU A 128 0.361 -3.318 -8.416 1.00 0.00 C ATOM 1443 CG GLU A 128 1.187 -2.077 -8.755 1.00 0.00 C ATOM 1444 CD GLU A 128 0.946 -0.998 -7.699 1.00 0.00 C ATOM 1445 OE1 GLU A 128 0.207 -1.266 -6.766 1.00 0.00 O ATOM 1446 OE2 GLU A 128 1.502 0.078 -7.842 1.00 0.00 O ATOM 0 H GLU A 128 -0.412 -4.620 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 128 2.016 -4.604 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.680 -3.165 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.373 -3.494 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.246 -2.332 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.912 -1.703 -9.741 1.00 0.00 H new ATOM 1453 N GLY A 129 1.082 -6.610 -7.907 1.00 0.00 N ATOM 1454 CA GLY A 129 0.531 -7.887 -7.365 1.00 0.00 C ATOM 1455 C GLY A 129 0.697 -8.997 -8.405 1.00 0.00 C ATOM 1456 O GLY A 129 0.206 -8.902 -9.513 1.00 0.00 O ATOM 0 H GLY A 129 2.059 -6.426 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 129 1.048 -8.157 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.523 -7.763 -7.114 1.00 0.00 H new ATOM 1460 N ARG A 130 1.386 -10.049 -8.060 1.00 0.00 N ATOM 1461 CA ARG A 130 1.585 -11.163 -9.031 1.00 0.00 C ATOM 1462 C ARG A 130 0.768 -12.389 -8.613 1.00 0.00 C ATOM 1463 O ARG A 130 0.500 -12.601 -7.447 1.00 0.00 O ATOM 1464 CB ARG A 130 3.082 -11.472 -8.977 1.00 0.00 C ATOM 1465 CG ARG A 130 3.872 -10.244 -9.435 1.00 0.00 C ATOM 1466 CD ARG A 130 5.288 -10.299 -8.856 1.00 0.00 C ATOM 1467 NE ARG A 130 6.174 -10.523 -10.031 1.00 0.00 N ATOM 1468 CZ ARG A 130 7.383 -10.986 -9.861 1.00 0.00 C ATOM 1469 NH1 ARG A 130 8.271 -10.278 -9.218 1.00 0.00 N ATOM 1470 NH2 ARG A 130 7.705 -12.160 -10.336 1.00 0.00 N ATOM 0 H ARG A 130 1.820 -10.186 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 130 1.258 -10.895 -10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.371 -11.747 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 130 3.312 -12.325 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.914 -10.212 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.370 -9.333 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.541 -9.372 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.386 -11.104 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 130 5.836 -10.314 -10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.021 -9.361 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.215 -10.641 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.012 -12.714 -10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.649 -12.522 -10.204 1.00 0.00 H new ATOM 1484 N LYS A 131 0.373 -13.199 -9.558 1.00 0.00 N ATOM 1485 CA LYS A 131 -0.424 -14.412 -9.216 1.00 0.00 C ATOM 1486 C LYS A 131 0.335 -15.675 -9.630 1.00 0.00 C ATOM 1487 O LYS A 131 -0.164 -16.756 -9.361 1.00 0.00 O ATOM 1488 CB LYS A 131 -1.719 -14.276 -10.019 1.00 0.00 C ATOM 1489 CG LYS A 131 -2.650 -15.444 -9.689 1.00 0.00 C ATOM 1490 CD LYS A 131 -3.937 -15.317 -10.506 1.00 0.00 C ATOM 1491 CE LYS A 131 -5.069 -16.061 -9.794 1.00 0.00 C ATOM 1492 NZ LYS A 131 -6.292 -15.742 -10.582 1.00 0.00 N ATOM 1493 OXT LYS A 131 1.400 -15.541 -10.209 1.00 0.00 O ATOM 0 H LYS A 131 0.568 -13.073 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.616 -14.493 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -2.207 -13.330 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.498 -14.264 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -2.157 -16.390 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.882 -15.449 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -4.200 -14.266 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -3.789 -15.728 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -4.883 -17.135 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -5.169 -15.732 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.113 -16.217 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -6.447 -14.714 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -6.171 -16.073 -11.561 1.00 0.00 H new