USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 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 17 GLN :FLIP amide:sc=-0.00259 F(o=-0.94,f=0.023) USER MOD Set 1.2: A 53 TYR OH : rot 123:sc= 0.0256 USER MOD Set 2.1: A 1 MET CE :methyl -165:sc= 0 (180deg=-0.0548) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 85:sc= 0.0353 USER MOD Single : A 4 GLN : amide:sc= -5.26! C(o=-5.3!,f=-6.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -52:sc= 0.927 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00133) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.887 USER MOD Single : A 28 THR OG1 : rot -109:sc= 1.14 USER MOD Single : A 30 CYS SG : rot -100:sc= -1.74! USER MOD Single : A 33 CYS SG : rot -98:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -175:sc= -2.38 (180deg=-2.56) USER MOD Single : A 39 MET CE :methyl 169:sc= -5.2! (180deg=-6.39!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.052) USER MOD Single : A 44 SER OG : rot 166:sc= 0.901 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0496 F(o=-1!,f=-0.05) USER MOD Single : A 47 TYR OH : rot 110:sc= -1.68! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.22) USER MOD Single : A 67 ASN : amide:sc= -8.47! C(o=-8.5!,f=-28!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -129:sc= -0.82 (180deg=-2.08) USER MOD Single : A 74 THR OG1 : rot 135:sc= -0.0228 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.04) USER MOD Single : A 80 ASN : amide:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= 1.08 (180deg=-0.126) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.312 F(o=-1.4!,f=-0.31) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.832 K(o=-0.83,f=-2.1!) USER MOD Single : A 102 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.979 -6.133 10.424 1.00 0.00 N ATOM 2 CA MET A 1 -5.025 -5.079 10.841 1.00 0.00 C ATOM 3 C MET A 1 -3.843 -5.016 9.889 1.00 0.00 C ATOM 4 O MET A 1 -3.120 -5.995 9.719 1.00 0.00 O ATOM 5 CB MET A 1 -4.519 -5.341 12.258 1.00 0.00 C ATOM 6 CG MET A 1 -3.592 -4.249 12.749 1.00 0.00 C ATOM 7 SD MET A 1 -4.427 -2.658 12.852 1.00 0.00 S ATOM 8 CE MET A 1 -3.022 -1.556 12.867 1.00 0.00 C ATOM 0 H1 MET A 1 -6.779 -6.159 11.088 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.330 -5.925 9.467 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.499 -7.056 10.424 1.00 0.00 H new ATOM 0 HA MET A 1 -5.553 -4.125 10.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.369 -5.424 12.935 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.996 -6.297 12.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.201 -4.518 13.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.738 -4.168 12.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.340 -0.565 13.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.267 -1.938 13.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.600 -1.491 11.864 1.00 0.00 H new ATOM 20 N VAL A 2 -3.641 -3.857 9.288 1.00 0.00 N ATOM 21 CA VAL A 2 -2.568 -3.663 8.329 1.00 0.00 C ATOM 22 C VAL A 2 -1.263 -3.302 9.033 1.00 0.00 C ATOM 23 O VAL A 2 -1.231 -2.441 9.912 1.00 0.00 O ATOM 24 CB VAL A 2 -2.965 -2.586 7.308 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.830 -2.280 6.351 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.198 -3.044 6.554 1.00 0.00 C ATOM 0 H VAL A 2 -4.213 -3.028 9.450 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.402 -4.600 7.797 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.188 -1.663 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.147 -1.514 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.968 -1.921 6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.558 -3.185 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.484 -2.283 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.981 -3.978 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.017 -3.201 7.256 1.00 0.00 H new ATOM 36 N THR A 3 -0.195 -3.979 8.633 1.00 0.00 N ATOM 37 CA THR A 3 1.087 -3.901 9.321 1.00 0.00 C ATOM 38 C THR A 3 1.865 -2.645 8.938 1.00 0.00 C ATOM 39 O THR A 3 1.825 -2.191 7.800 1.00 0.00 O ATOM 40 CB THR A 3 1.931 -5.151 9.005 1.00 0.00 C ATOM 41 OG1 THR A 3 1.097 -6.321 9.041 1.00 0.00 O ATOM 42 CG2 THR A 3 3.069 -5.313 10.000 1.00 0.00 C ATOM 0 H THR A 3 -0.193 -4.598 7.822 1.00 0.00 H new ATOM 0 HA THR A 3 0.882 -3.853 10.391 1.00 0.00 H new ATOM 0 HB THR A 3 2.358 -5.028 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.657 -6.436 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.646 -6.203 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.717 -4.437 9.958 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.661 -5.415 11.006 1.00 0.00 H new ATOM 50 N GLN A 4 2.571 -2.100 9.912 1.00 0.00 N ATOM 51 CA GLN A 4 3.314 -0.864 9.744 1.00 0.00 C ATOM 52 C GLN A 4 4.763 -1.141 9.346 1.00 0.00 C ATOM 53 O GLN A 4 5.404 -2.042 9.888 1.00 0.00 O ATOM 54 CB GLN A 4 3.264 -0.088 11.058 1.00 0.00 C ATOM 55 CG GLN A 4 3.984 1.255 11.016 1.00 0.00 C ATOM 56 CD GLN A 4 3.500 2.158 9.897 1.00 0.00 C ATOM 57 OE1 GLN A 4 4.265 2.946 9.345 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.225 2.065 9.566 1.00 0.00 N ATOM 0 H GLN A 4 2.646 -2.504 10.846 1.00 0.00 H new ATOM 0 HA GLN A 4 2.863 -0.278 8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.222 0.079 11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.704 -0.700 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.846 1.764 11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.054 1.083 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.621 1.399 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.845 2.659 8.829 1.00 0.00 H new ATOM 67 N PHE A 5 5.264 -0.373 8.386 1.00 0.00 N ATOM 68 CA PHE A 5 6.670 -0.441 8.001 1.00 0.00 C ATOM 69 C PHE A 5 7.521 0.413 8.923 1.00 0.00 C ATOM 70 O PHE A 5 7.005 1.197 9.722 1.00 0.00 O ATOM 71 CB PHE A 5 6.884 0.065 6.578 1.00 0.00 C ATOM 72 CG PHE A 5 6.471 -0.880 5.484 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.627 -2.250 5.622 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.955 -0.386 4.299 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.274 -3.106 4.598 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.597 -1.238 3.274 1.00 0.00 C ATOM 77 CZ PHE A 5 5.758 -2.598 3.422 1.00 0.00 C ATOM 0 H PHE A 5 4.716 0.306 7.858 1.00 0.00 H new ATOM 0 HA PHE A 5 6.962 -1.489 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.332 0.997 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.940 0.301 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.029 -2.652 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.831 0.680 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.401 -4.172 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.191 -0.839 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.481 -3.266 2.620 1.00 0.00 H new ATOM 87 N LYS A 6 8.832 0.266 8.797 1.00 0.00 N ATOM 88 CA LYS A 6 9.755 1.078 9.567 1.00 0.00 C ATOM 89 C LYS A 6 10.710 1.821 8.644 1.00 0.00 C ATOM 90 O LYS A 6 11.014 2.991 8.862 1.00 0.00 O ATOM 91 CB LYS A 6 10.558 0.205 10.533 1.00 0.00 C ATOM 92 CG LYS A 6 9.708 -0.779 11.314 1.00 0.00 C ATOM 93 CD LYS A 6 10.550 -1.644 12.240 1.00 0.00 C ATOM 94 CE LYS A 6 11.229 -0.821 13.325 1.00 0.00 C ATOM 95 NZ LYS A 6 12.092 -1.657 14.201 1.00 0.00 N ATOM 0 H LYS A 6 9.276 -0.406 8.171 1.00 0.00 H new ATOM 0 HA LYS A 6 9.173 1.802 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.312 -0.346 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.090 0.848 11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.967 -0.234 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.160 -1.416 10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.918 -2.403 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.306 -2.170 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.831 -0.039 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.471 -0.324 13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.535 -1.057 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.514 -2.388 14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.832 -2.111 13.628 1.00 0.00 H new ATOM 109 N THR A 7 11.170 1.137 7.606 1.00 0.00 N ATOM 110 CA THR A 7 12.082 1.735 6.634 1.00 0.00 C ATOM 111 C THR A 7 11.762 1.244 5.228 1.00 0.00 C ATOM 112 O THR A 7 10.836 0.445 5.041 1.00 0.00 O ATOM 113 CB THR A 7 13.566 1.412 6.936 1.00 0.00 C ATOM 114 OG1 THR A 7 13.772 -0.006 6.928 1.00 0.00 O ATOM 115 CG2 THR A 7 14.008 1.986 8.276 1.00 0.00 C ATOM 0 H THR A 7 10.928 0.165 7.413 1.00 0.00 H new ATOM 0 HA THR A 7 11.940 2.813 6.706 1.00 0.00 H new ATOM 0 HB THR A 7 14.169 1.877 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.119 -0.435 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.055 1.738 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.889 3.069 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.397 1.562 9.073 1.00 0.00 H new ATOM 123 N ALA A 8 12.518 1.712 4.242 1.00 0.00 N ATOM 124 CA ALA A 8 12.354 1.238 2.877 1.00 0.00 C ATOM 125 C ALA A 8 12.752 -0.227 2.773 1.00 0.00 C ATOM 126 O ALA A 8 12.269 -0.949 1.898 1.00 0.00 O ATOM 127 CB ALA A 8 13.161 2.082 1.909 1.00 0.00 C ATOM 0 H ALA A 8 13.246 2.416 4.363 1.00 0.00 H new ATOM 0 HA ALA A 8 11.302 1.331 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.021 1.707 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.825 3.118 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.217 2.029 2.173 1.00 0.00 H new ATOM 133 N SER A 9 13.627 -0.659 3.676 1.00 0.00 N ATOM 134 CA SER A 9 14.007 -2.056 3.765 1.00 0.00 C ATOM 135 C SER A 9 12.765 -2.908 4.004 1.00 0.00 C ATOM 136 O SER A 9 12.531 -3.889 3.300 1.00 0.00 O ATOM 137 CB SER A 9 15.029 -2.265 4.890 1.00 0.00 C ATOM 138 OG SER A 9 15.502 -3.604 4.916 1.00 0.00 O ATOM 0 H SER A 9 14.086 -0.054 4.358 1.00 0.00 H new ATOM 0 HA SER A 9 14.471 -2.360 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.868 -1.583 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.573 -2.020 5.849 1.00 0.00 H new ATOM 0 HG SER A 9 16.153 -3.707 5.642 1.00 0.00 H new ATOM 144 N GLU A 10 11.966 -2.513 4.993 1.00 0.00 N ATOM 145 CA GLU A 10 10.690 -3.148 5.256 1.00 0.00 C ATOM 146 C GLU A 10 9.797 -3.153 4.019 1.00 0.00 C ATOM 147 O GLU A 10 9.138 -4.155 3.733 1.00 0.00 O ATOM 148 CB GLU A 10 9.990 -2.426 6.397 1.00 0.00 C ATOM 149 CG GLU A 10 10.478 -2.837 7.769 1.00 0.00 C ATOM 150 CD GLU A 10 11.933 -2.523 8.015 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.230 -1.385 8.414 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.784 -3.413 7.816 1.00 0.00 O ATOM 0 H GLU A 10 12.189 -1.747 5.628 1.00 0.00 H new ATOM 0 HA GLU A 10 10.878 -4.185 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.133 -1.352 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.918 -2.614 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.874 -2.335 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.320 -3.908 7.895 1.00 0.00 H new ATOM 159 N PHE A 11 9.778 -2.036 3.287 1.00 0.00 N ATOM 160 CA PHE A 11 8.952 -1.924 2.088 1.00 0.00 C ATOM 161 C PHE A 11 9.381 -2.968 1.067 1.00 0.00 C ATOM 162 O PHE A 11 8.604 -3.846 0.699 1.00 0.00 O ATOM 163 CB PHE A 11 9.043 -0.500 1.492 1.00 0.00 C ATOM 164 CG PHE A 11 8.118 -0.242 0.319 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.429 -0.722 -0.943 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.944 0.490 0.476 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.595 -0.483 -2.017 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.105 0.731 -0.606 1.00 0.00 C ATOM 169 CZ PHE A 11 6.435 0.241 -1.846 1.00 0.00 C ATOM 0 H PHE A 11 10.323 -1.202 3.504 1.00 0.00 H new ATOM 0 HA PHE A 11 7.912 -2.106 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.821 0.222 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.070 -0.319 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.336 -1.291 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.682 0.875 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.852 -0.865 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.198 1.301 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.784 0.423 -2.688 1.00 0.00 H new ATOM 179 N ASP A 12 10.639 -2.888 0.661 1.00 0.00 N ATOM 180 CA ASP A 12 11.203 -3.779 -0.356 1.00 0.00 C ATOM 181 C ASP A 12 11.118 -5.245 0.072 1.00 0.00 C ATOM 182 O ASP A 12 10.887 -6.129 -0.753 1.00 0.00 O ATOM 183 CB ASP A 12 12.660 -3.390 -0.625 1.00 0.00 C ATOM 184 CG ASP A 12 13.313 -4.248 -1.689 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.052 -4.016 -2.888 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.100 -5.152 -1.336 1.00 0.00 O ATOM 0 H ASP A 12 11.303 -2.204 1.024 1.00 0.00 H new ATOM 0 HA ASP A 12 10.619 -3.669 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.701 -2.345 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.229 -3.472 0.301 1.00 0.00 H new ATOM 191 N SER A 13 11.290 -5.492 1.365 1.00 0.00 N ATOM 192 CA SER A 13 11.210 -6.843 1.909 1.00 0.00 C ATOM 193 C SER A 13 9.819 -7.436 1.678 1.00 0.00 C ATOM 194 O SER A 13 9.688 -8.586 1.250 1.00 0.00 O ATOM 195 CB SER A 13 11.542 -6.827 3.405 1.00 0.00 C ATOM 196 OG SER A 13 11.649 -8.138 3.932 1.00 0.00 O ATOM 0 H SER A 13 11.487 -4.771 2.059 1.00 0.00 H new ATOM 0 HA SER A 13 11.938 -7.469 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.479 -6.293 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.768 -6.280 3.944 1.00 0.00 H new ATOM 0 HG SER A 13 11.863 -8.090 4.887 1.00 0.00 H new ATOM 202 N ALA A 14 8.783 -6.644 1.944 1.00 0.00 N ATOM 203 CA ALA A 14 7.414 -7.078 1.717 1.00 0.00 C ATOM 204 C ALA A 14 7.156 -7.257 0.229 1.00 0.00 C ATOM 205 O ALA A 14 6.390 -8.126 -0.182 1.00 0.00 O ATOM 206 CB ALA A 14 6.423 -6.082 2.306 1.00 0.00 C ATOM 0 H ALA A 14 8.869 -5.699 2.317 1.00 0.00 H new ATOM 0 HA ALA A 14 7.275 -8.036 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.406 -6.429 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.589 -5.995 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.564 -5.108 1.837 1.00 0.00 H new ATOM 212 N ILE A 15 7.818 -6.431 -0.569 1.00 0.00 N ATOM 213 CA ILE A 15 7.675 -6.475 -2.017 1.00 0.00 C ATOM 214 C ILE A 15 8.166 -7.802 -2.577 1.00 0.00 C ATOM 215 O ILE A 15 7.559 -8.367 -3.487 1.00 0.00 O ATOM 216 CB ILE A 15 8.467 -5.347 -2.701 1.00 0.00 C ATOM 217 CG1 ILE A 15 8.056 -3.975 -2.193 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.285 -5.393 -4.197 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.565 -3.809 -1.986 1.00 0.00 C ATOM 0 H ILE A 15 8.465 -5.717 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 15 6.612 -6.351 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 15 9.516 -5.508 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.566 -3.782 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.399 -3.220 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.854 -4.586 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.640 -6.351 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.229 -5.276 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.358 -2.802 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.047 -3.967 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.216 -4.538 -1.254 1.00 0.00 H new ATOM 231 N ALA A 16 9.260 -8.299 -2.012 1.00 0.00 N ATOM 232 CA ALA A 16 9.928 -9.494 -2.519 1.00 0.00 C ATOM 233 C ALA A 16 9.140 -10.769 -2.230 1.00 0.00 C ATOM 234 O ALA A 16 9.608 -11.875 -2.500 1.00 0.00 O ATOM 235 CB ALA A 16 11.328 -9.586 -1.935 1.00 0.00 C ATOM 0 H ALA A 16 9.708 -7.888 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 16 9.990 -9.403 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.823 -10.479 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.900 -8.704 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.266 -9.641 -0.848 1.00 0.00 H new ATOM 241 N GLN A 17 7.949 -10.608 -1.689 1.00 0.00 N ATOM 242 CA GLN A 17 7.071 -11.720 -1.427 1.00 0.00 C ATOM 243 C GLN A 17 6.394 -12.181 -2.714 1.00 0.00 C ATOM 244 O GLN A 17 5.999 -11.364 -3.549 1.00 0.00 O ATOM 245 CB GLN A 17 6.028 -11.301 -0.399 1.00 0.00 C ATOM 246 CG GLN A 17 6.574 -11.211 1.019 1.00 0.00 C ATOM 247 CD GLN A 17 5.537 -10.763 2.033 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.642 -9.877 1.628 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 5.561 -11.188 3.188 1.00 0.00 N flip ATOM 0 H GLN A 17 7.567 -9.701 -1.420 1.00 0.00 H new ATOM 0 HA GLN A 17 7.653 -12.554 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.618 -10.332 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.204 -12.014 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.963 -12.185 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.412 -10.515 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.266 -11.871 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.876 -10.857 3.868 1.00 0.00 H new ATOM 258 N ASP A 18 6.254 -13.491 -2.864 1.00 0.00 N ATOM 259 CA ASP A 18 5.637 -14.077 -4.051 1.00 0.00 C ATOM 260 C ASP A 18 4.110 -14.023 -3.964 1.00 0.00 C ATOM 261 O ASP A 18 3.411 -14.944 -4.386 1.00 0.00 O ATOM 262 CB ASP A 18 6.109 -15.526 -4.239 1.00 0.00 C ATOM 263 CG ASP A 18 5.724 -16.431 -3.082 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.283 -16.268 -1.977 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.870 -17.322 -3.274 1.00 0.00 O ATOM 0 H ASP A 18 6.562 -14.175 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 18 5.947 -13.490 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.684 -15.924 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.193 -15.537 -4.356 1.00 0.00 H new ATOM 270 N LYS A 19 3.600 -12.925 -3.430 1.00 0.00 N ATOM 271 CA LYS A 19 2.168 -12.712 -3.310 1.00 0.00 C ATOM 272 C LYS A 19 1.864 -11.237 -3.505 1.00 0.00 C ATOM 273 O LYS A 19 2.780 -10.432 -3.665 1.00 0.00 O ATOM 274 CB LYS A 19 1.646 -13.184 -1.949 1.00 0.00 C ATOM 275 CG LYS A 19 2.375 -12.574 -0.763 1.00 0.00 C ATOM 276 CD LYS A 19 1.601 -12.769 0.533 1.00 0.00 C ATOM 277 CE LYS A 19 1.283 -14.234 0.804 1.00 0.00 C ATOM 278 NZ LYS A 19 2.507 -15.058 0.981 1.00 0.00 N ATOM 0 H LYS A 19 4.167 -12.158 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 19 1.663 -13.298 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.586 -12.943 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.730 -14.269 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.362 -13.028 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.529 -11.509 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.181 -12.366 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.672 -12.201 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.666 -14.309 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.696 -14.634 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.237 -16.043 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.077 -15.024 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.065 -14.685 1.776 1.00 0.00 H new ATOM 292 N LEU A 20 0.589 -10.884 -3.501 1.00 0.00 N ATOM 293 CA LEU A 20 0.193 -9.504 -3.707 1.00 0.00 C ATOM 294 C LEU A 20 0.497 -8.688 -2.462 1.00 0.00 C ATOM 295 O LEU A 20 0.034 -9.005 -1.363 1.00 0.00 O ATOM 296 CB LEU A 20 -1.299 -9.423 -4.062 1.00 0.00 C ATOM 297 CG LEU A 20 -1.771 -8.116 -4.723 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.784 -6.963 -3.736 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.892 -7.773 -5.911 1.00 0.00 C ATOM 0 H LEU A 20 -0.185 -11.532 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 20 0.762 -9.091 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.537 -10.250 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.877 -9.574 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.793 -8.275 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.123 -6.057 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.460 -7.196 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.778 -6.807 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.241 -6.846 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.138 -7.649 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.941 -8.578 -6.644 1.00 0.00 H new ATOM 311 N VAL A 21 1.293 -7.652 -2.640 1.00 0.00 N ATOM 312 CA VAL A 21 1.646 -6.769 -1.548 1.00 0.00 C ATOM 313 C VAL A 21 0.806 -5.503 -1.609 1.00 0.00 C ATOM 314 O VAL A 21 0.953 -4.699 -2.529 1.00 0.00 O ATOM 315 CB VAL A 21 3.134 -6.375 -1.599 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.623 -5.946 -0.224 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.977 -7.511 -2.158 1.00 0.00 C ATOM 0 H VAL A 21 1.709 -7.401 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 21 1.455 -7.306 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 21 3.241 -5.524 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.676 -5.672 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.043 -5.089 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.501 -6.770 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.024 -7.209 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.869 -8.391 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.643 -7.749 -3.168 1.00 0.00 H new ATOM 327 N VAL A 22 -0.088 -5.342 -0.648 1.00 0.00 N ATOM 328 CA VAL A 22 -0.883 -4.131 -0.552 1.00 0.00 C ATOM 329 C VAL A 22 -0.176 -3.135 0.340 1.00 0.00 C ATOM 330 O VAL A 22 -0.173 -3.279 1.565 1.00 0.00 O ATOM 331 CB VAL A 22 -2.288 -4.402 0.026 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.112 -3.123 0.070 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.999 -5.467 -0.782 1.00 0.00 C ATOM 0 H VAL A 22 -0.281 -6.034 0.076 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.001 -3.736 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.171 -4.765 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.098 -3.339 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.610 -2.388 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.219 -2.724 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.988 -5.645 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.100 -5.133 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.421 -6.391 -0.754 1.00 0.00 H new ATOM 343 N VAL A 23 0.443 -2.141 -0.264 1.00 0.00 N ATOM 344 CA VAL A 23 1.153 -1.147 0.504 1.00 0.00 C ATOM 345 C VAL A 23 0.378 0.155 0.564 1.00 0.00 C ATOM 346 O VAL A 23 0.090 0.788 -0.453 1.00 0.00 O ATOM 347 CB VAL A 23 2.565 -0.890 -0.035 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.268 0.128 0.835 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.358 -2.180 -0.081 1.00 0.00 C ATOM 0 H VAL A 23 0.467 -2.003 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 23 1.251 -1.550 1.512 1.00 0.00 H new ATOM 0 HB VAL A 23 2.489 -0.498 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.271 0.307 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.705 1.061 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.335 -0.250 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.358 -1.979 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.433 -2.597 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.855 -2.893 -0.733 1.00 0.00 H new ATOM 359 N ALA A 24 0.049 0.530 1.779 1.00 0.00 N ATOM 360 CA ALA A 24 -0.725 1.723 2.055 1.00 0.00 C ATOM 361 C ALA A 24 0.189 2.887 2.420 1.00 0.00 C ATOM 362 O ALA A 24 0.615 3.011 3.570 1.00 0.00 O ATOM 363 CB ALA A 24 -1.653 1.447 3.221 1.00 0.00 C ATOM 0 H ALA A 24 0.314 0.010 2.615 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.293 1.987 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.241 2.339 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.322 0.625 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.065 1.178 4.098 1.00 0.00 H new ATOM 369 N PHE A 25 0.506 3.732 1.461 1.00 0.00 N ATOM 370 CA PHE A 25 1.320 4.899 1.752 1.00 0.00 C ATOM 371 C PHE A 25 0.478 6.150 1.897 1.00 0.00 C ATOM 372 O PHE A 25 -0.134 6.625 0.944 1.00 0.00 O ATOM 373 CB PHE A 25 2.394 5.095 0.695 1.00 0.00 C ATOM 374 CG PHE A 25 3.723 4.598 1.160 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.849 3.316 1.655 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.836 5.415 1.132 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.061 2.850 2.106 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.053 4.956 1.584 1.00 0.00 C ATOM 379 CZ PHE A 25 6.164 3.670 2.071 1.00 0.00 C ATOM 0 H PHE A 25 0.219 3.638 0.487 1.00 0.00 H new ATOM 0 HA PHE A 25 1.810 4.718 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.108 4.570 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.469 6.153 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.984 2.670 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.751 6.423 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.147 1.843 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.919 5.601 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.118 3.307 2.425 1.00 0.00 H new ATOM 389 N TYR A 26 0.453 6.681 3.102 1.00 0.00 N ATOM 390 CA TYR A 26 -0.286 7.892 3.389 1.00 0.00 C ATOM 391 C TYR A 26 0.516 8.766 4.334 1.00 0.00 C ATOM 392 O TYR A 26 1.465 8.301 4.952 1.00 0.00 O ATOM 393 CB TYR A 26 -1.654 7.560 3.994 1.00 0.00 C ATOM 394 CG TYR A 26 -1.598 6.688 5.232 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.622 5.304 5.123 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.534 7.243 6.504 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.584 4.497 6.241 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.494 6.443 7.630 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.520 5.071 7.493 1.00 0.00 C ATOM 400 OH TYR A 26 -1.481 4.272 8.614 1.00 0.00 O ATOM 0 H TYR A 26 0.942 6.287 3.906 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.452 8.434 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.163 8.491 4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.259 7.059 3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.671 4.851 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.515 8.317 6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.604 3.422 6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.443 6.890 8.612 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.436 4.834 9.415 1.00 0.00 H new ATOM 410 N ALA A 27 0.146 10.028 4.434 1.00 0.00 N ATOM 411 CA ALA A 27 0.836 10.944 5.319 1.00 0.00 C ATOM 412 C ALA A 27 -0.104 11.419 6.412 1.00 0.00 C ATOM 413 O ALA A 27 -1.251 11.774 6.142 1.00 0.00 O ATOM 414 CB ALA A 27 1.384 12.124 4.540 1.00 0.00 C ATOM 0 H ALA A 27 -0.628 10.441 3.914 1.00 0.00 H new ATOM 0 HA ALA A 27 1.673 10.421 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.899 12.802 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.084 11.768 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.563 12.652 4.054 1.00 0.00 H new ATOM 420 N THR A 28 0.392 11.414 7.641 1.00 0.00 N ATOM 421 CA THR A 28 -0.404 11.771 8.810 1.00 0.00 C ATOM 422 C THR A 28 -0.937 13.201 8.745 1.00 0.00 C ATOM 423 O THR A 28 -1.967 13.508 9.346 1.00 0.00 O ATOM 424 CB THR A 28 0.409 11.588 10.101 1.00 0.00 C ATOM 425 OG1 THR A 28 1.764 12.010 9.885 1.00 0.00 O ATOM 426 CG2 THR A 28 0.380 10.138 10.559 1.00 0.00 C ATOM 0 H THR A 28 1.357 11.163 7.857 1.00 0.00 H new ATOM 0 HA THR A 28 -1.260 11.096 8.815 1.00 0.00 H new ATOM 0 HB THR A 28 -0.040 12.201 10.883 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.352 11.226 9.871 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.962 10.034 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.650 9.837 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.807 9.503 9.783 1.00 0.00 H new ATOM 434 N TRP A 29 -0.243 14.071 8.017 1.00 0.00 N ATOM 435 CA TRP A 29 -0.679 15.456 7.875 1.00 0.00 C ATOM 436 C TRP A 29 -1.810 15.567 6.857 1.00 0.00 C ATOM 437 O TRP A 29 -2.511 16.578 6.798 1.00 0.00 O ATOM 438 CB TRP A 29 0.492 16.368 7.472 1.00 0.00 C ATOM 439 CG TRP A 29 1.138 16.017 6.158 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.302 15.328 5.976 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.664 16.353 4.843 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.576 15.209 4.635 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.586 15.829 3.920 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.453 17.041 4.360 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.427 15.973 2.544 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.612 17.182 2.997 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.322 16.649 2.100 1.00 0.00 C ATOM 0 H TRP A 29 0.618 13.844 7.519 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.051 15.787 8.845 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.134 17.396 7.422 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.249 16.332 8.255 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.918 14.934 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.386 14.735 4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.180 17.455 5.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.149 15.566 1.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.472 17.713 2.615 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.168 16.773 1.038 1.00 0.00 H new ATOM 458 N CYS A 30 -1.989 14.521 6.063 1.00 0.00 N ATOM 459 CA CYS A 30 -2.985 14.530 5.003 1.00 0.00 C ATOM 460 C CYS A 30 -4.365 14.231 5.579 1.00 0.00 C ATOM 461 O CYS A 30 -4.493 13.446 6.518 1.00 0.00 O ATOM 462 CB CYS A 30 -2.616 13.504 3.928 1.00 0.00 C ATOM 463 SG CYS A 30 -3.700 13.508 2.481 1.00 0.00 S ATOM 0 H CYS A 30 -1.456 13.654 6.134 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.009 15.519 4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.594 13.692 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.630 12.509 4.374 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.558 12.536 2.579 1.00 0.00 H new ATOM 469 N GLY A 31 -5.387 14.864 5.026 1.00 0.00 N ATOM 470 CA GLY A 31 -6.740 14.672 5.514 1.00 0.00 C ATOM 471 C GLY A 31 -7.287 13.278 5.238 1.00 0.00 C ATOM 472 O GLY A 31 -7.490 12.497 6.171 1.00 0.00 O ATOM 0 H GLY A 31 -5.305 15.512 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.761 14.857 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.394 15.410 5.050 1.00 0.00 H new ATOM 476 N PRO A 32 -7.524 12.927 3.960 1.00 0.00 N ATOM 477 CA PRO A 32 -8.163 11.657 3.585 1.00 0.00 C ATOM 478 C PRO A 32 -7.257 10.427 3.729 1.00 0.00 C ATOM 479 O PRO A 32 -7.520 9.389 3.128 1.00 0.00 O ATOM 480 CB PRO A 32 -8.532 11.872 2.117 1.00 0.00 C ATOM 481 CG PRO A 32 -7.530 12.850 1.616 1.00 0.00 C ATOM 482 CD PRO A 32 -7.214 13.754 2.775 1.00 0.00 C ATOM 0 HA PRO A 32 -9.005 11.439 4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.488 10.938 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.547 12.257 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.633 12.342 1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.927 13.419 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.170 14.066 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.818 14.661 2.751 1.00 0.00 H new ATOM 490 N CYS A 33 -6.205 10.530 4.535 1.00 0.00 N ATOM 491 CA CYS A 33 -5.335 9.383 4.788 1.00 0.00 C ATOM 492 C CYS A 33 -6.096 8.332 5.589 1.00 0.00 C ATOM 493 O CYS A 33 -5.849 7.122 5.481 1.00 0.00 O ATOM 494 CB CYS A 33 -4.076 9.818 5.541 1.00 0.00 C ATOM 495 SG CYS A 33 -4.403 10.623 7.125 1.00 0.00 S ATOM 0 H CYS A 33 -5.935 11.385 5.020 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.028 8.954 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.449 8.943 5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.506 10.500 4.910 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.356 11.913 6.974 1.00 0.00 H new ATOM 501 N LYS A 34 -7.059 8.813 6.364 1.00 0.00 N ATOM 502 CA LYS A 34 -7.911 7.951 7.161 1.00 0.00 C ATOM 503 C LYS A 34 -8.827 7.117 6.275 1.00 0.00 C ATOM 504 O LYS A 34 -9.521 6.238 6.767 1.00 0.00 O ATOM 505 CB LYS A 34 -8.732 8.774 8.162 1.00 0.00 C ATOM 506 CG LYS A 34 -9.605 9.843 7.523 1.00 0.00 C ATOM 507 CD LYS A 34 -10.322 10.678 8.576 1.00 0.00 C ATOM 508 CE LYS A 34 -11.181 11.756 7.937 1.00 0.00 C ATOM 509 NZ LYS A 34 -11.779 12.670 8.948 1.00 0.00 N ATOM 0 H LYS A 34 -7.268 9.807 6.455 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.269 7.270 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.366 8.099 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.052 9.251 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.990 10.492 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.338 9.372 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.946 10.031 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.589 11.139 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.576 12.335 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.976 11.288 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.357 13.389 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.378 12.123 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.021 13.137 9.485 1.00 0.00 H new ATOM 523 N MET A 35 -8.837 7.396 4.970 1.00 0.00 N ATOM 524 CA MET A 35 -9.618 6.593 4.038 1.00 0.00 C ATOM 525 C MET A 35 -8.847 5.317 3.730 1.00 0.00 C ATOM 526 O MET A 35 -9.420 4.236 3.592 1.00 0.00 O ATOM 527 CB MET A 35 -9.877 7.367 2.744 1.00 0.00 C ATOM 528 CG MET A 35 -11.252 7.123 2.126 1.00 0.00 C ATOM 529 SD MET A 35 -11.636 5.376 1.893 1.00 0.00 S ATOM 530 CE MET A 35 -13.012 5.482 0.753 1.00 0.00 C ATOM 0 H MET A 35 -8.319 8.163 4.542 1.00 0.00 H new ATOM 0 HA MET A 35 -10.581 6.352 4.488 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.766 8.433 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.112 7.099 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.013 7.572 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.304 7.630 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.420 4.486 0.581 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.786 6.123 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.669 5.902 -0.193 1.00 0.00 H new ATOM 540 N ILE A 36 -7.528 5.448 3.663 1.00 0.00 N ATOM 541 CA ILE A 36 -6.668 4.321 3.346 1.00 0.00 C ATOM 542 C ILE A 36 -6.533 3.389 4.533 1.00 0.00 C ATOM 543 O ILE A 36 -6.315 2.189 4.366 1.00 0.00 O ATOM 544 CB ILE A 36 -5.280 4.804 2.852 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.247 4.779 1.328 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.142 3.974 3.422 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.379 5.555 0.708 1.00 0.00 C ATOM 0 H ILE A 36 -7.033 6.325 3.824 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.134 3.761 2.535 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.135 5.824 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.298 5.190 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.290 3.745 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.192 4.353 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.153 4.039 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.263 2.934 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.304 5.502 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.330 5.129 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.323 6.596 1.025 1.00 0.00 H new ATOM 559 N ALA A 37 -6.721 3.929 5.723 1.00 0.00 N ATOM 560 CA ALA A 37 -6.676 3.114 6.924 1.00 0.00 C ATOM 561 C ALA A 37 -7.703 1.958 6.873 1.00 0.00 C ATOM 562 O ALA A 37 -7.304 0.788 6.890 1.00 0.00 O ATOM 563 CB ALA A 37 -6.848 3.979 8.168 1.00 0.00 C ATOM 0 H ALA A 37 -6.905 4.919 5.884 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.692 2.649 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.811 3.349 9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.046 4.716 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.809 4.491 8.125 1.00 0.00 H new ATOM 569 N PRO A 38 -9.029 2.229 6.785 1.00 0.00 N ATOM 570 CA PRO A 38 -10.029 1.164 6.831 1.00 0.00 C ATOM 571 C PRO A 38 -10.275 0.477 5.489 1.00 0.00 C ATOM 572 O PRO A 38 -10.597 -0.706 5.471 1.00 0.00 O ATOM 573 CB PRO A 38 -11.280 1.893 7.297 1.00 0.00 C ATOM 574 CG PRO A 38 -11.148 3.252 6.710 1.00 0.00 C ATOM 575 CD PRO A 38 -9.669 3.542 6.643 1.00 0.00 C ATOM 0 HA PRO A 38 -9.707 0.349 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.185 1.395 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.336 1.932 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.598 3.292 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.662 3.992 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.400 4.014 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.362 4.221 7.438 1.00 0.00 H new ATOM 583 N MET A 39 -10.124 1.187 4.369 1.00 0.00 N ATOM 584 CA MET A 39 -10.403 0.585 3.071 1.00 0.00 C ATOM 585 C MET A 39 -9.393 -0.516 2.804 1.00 0.00 C ATOM 586 O MET A 39 -9.748 -1.650 2.497 1.00 0.00 O ATOM 587 CB MET A 39 -10.318 1.650 1.975 1.00 0.00 C ATOM 588 CG MET A 39 -10.283 1.078 0.573 1.00 0.00 C ATOM 589 SD MET A 39 -9.363 2.124 -0.566 1.00 0.00 S ATOM 590 CE MET A 39 -7.924 2.504 0.437 1.00 0.00 C ATOM 0 H MET A 39 -9.816 2.159 4.336 1.00 0.00 H new ATOM 0 HA MET A 39 -11.408 0.163 3.073 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.174 2.319 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.424 2.253 2.135 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.831 0.086 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.302 0.955 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.164 2.980 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.210 3.180 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.522 1.583 0.861 1.00 0.00 H new ATOM 600 N ILE A 40 -8.135 -0.165 2.975 1.00 0.00 N ATOM 601 CA ILE A 40 -7.028 -1.075 2.759 1.00 0.00 C ATOM 602 C ILE A 40 -7.049 -2.217 3.765 1.00 0.00 C ATOM 603 O ILE A 40 -6.742 -3.361 3.427 1.00 0.00 O ATOM 604 CB ILE A 40 -5.715 -0.276 2.839 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.092 -0.142 1.462 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.719 -0.880 3.819 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.191 1.057 1.347 1.00 0.00 C ATOM 0 H ILE A 40 -7.849 0.768 3.271 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.114 -1.529 1.772 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.968 0.714 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.522 -1.043 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.883 -0.070 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.812 -0.276 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.158 -0.902 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.473 -1.896 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.773 1.103 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.764 1.963 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.382 0.975 2.073 1.00 0.00 H new ATOM 619 N GLU A 41 -7.426 -1.910 4.996 1.00 0.00 N ATOM 620 CA GLU A 41 -7.550 -2.941 6.011 1.00 0.00 C ATOM 621 C GLU A 41 -8.734 -3.856 5.688 1.00 0.00 C ATOM 622 O GLU A 41 -8.737 -5.042 6.029 1.00 0.00 O ATOM 623 CB GLU A 41 -7.698 -2.300 7.393 1.00 0.00 C ATOM 624 CG GLU A 41 -7.575 -3.288 8.540 1.00 0.00 C ATOM 625 CD GLU A 41 -7.401 -2.602 9.876 1.00 0.00 C ATOM 626 OE1 GLU A 41 -6.269 -2.168 10.179 1.00 0.00 O ATOM 627 OE2 GLU A 41 -8.390 -2.488 10.627 1.00 0.00 O ATOM 0 H GLU A 41 -7.649 -0.966 5.313 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.647 -3.552 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.939 -1.526 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.668 -1.806 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.465 -3.917 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.725 -3.946 8.359 1.00 0.00 H new ATOM 634 N LYS A 42 -9.719 -3.300 4.994 1.00 0.00 N ATOM 635 CA LYS A 42 -10.898 -4.045 4.587 1.00 0.00 C ATOM 636 C LYS A 42 -10.579 -4.986 3.423 1.00 0.00 C ATOM 637 O LYS A 42 -11.209 -6.035 3.280 1.00 0.00 O ATOM 638 CB LYS A 42 -12.033 -3.075 4.220 1.00 0.00 C ATOM 639 CG LYS A 42 -13.315 -3.758 3.758 1.00 0.00 C ATOM 640 CD LYS A 42 -13.857 -4.728 4.804 1.00 0.00 C ATOM 641 CE LYS A 42 -14.251 -4.026 6.096 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.408 -3.111 5.909 1.00 0.00 N ATOM 0 H LYS A 42 -9.721 -2.323 4.700 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.226 -4.661 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.258 -2.453 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.685 -2.409 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.069 -3.002 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.124 -4.296 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.724 -5.249 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.102 -5.484 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.498 -4.772 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.400 -3.460 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.705 -2.734 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.132 -2.325 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.198 -3.633 5.478 1.00 0.00 H new ATOM 656 N PHE A 43 -9.598 -4.609 2.598 1.00 0.00 N ATOM 657 CA PHE A 43 -9.144 -5.472 1.501 1.00 0.00 C ATOM 658 C PHE A 43 -8.826 -6.865 2.024 1.00 0.00 C ATOM 659 O PHE A 43 -9.500 -7.838 1.683 1.00 0.00 O ATOM 660 CB PHE A 43 -7.879 -4.913 0.827 1.00 0.00 C ATOM 661 CG PHE A 43 -8.052 -3.589 0.160 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.306 -3.067 -0.064 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.947 -2.866 -0.246 1.00 0.00 C ATOM 664 CE1 PHE A 43 -9.462 -1.845 -0.679 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.093 -1.646 -0.861 1.00 0.00 C ATOM 666 CZ PHE A 43 -8.353 -1.134 -1.079 1.00 0.00 C ATOM 0 H PHE A 43 -9.105 -3.719 2.667 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.952 -5.512 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.094 -4.825 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.532 -5.633 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.178 -3.623 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.957 -3.264 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.451 -1.446 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.221 -1.090 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.471 -0.176 -1.563 1.00 0.00 H new ATOM 676 N SER A 44 -7.826 -6.958 2.890 1.00 0.00 N ATOM 677 CA SER A 44 -7.362 -8.250 3.351 1.00 0.00 C ATOM 678 C SER A 44 -8.280 -8.809 4.433 1.00 0.00 C ATOM 679 O SER A 44 -8.203 -9.990 4.776 1.00 0.00 O ATOM 680 CB SER A 44 -5.923 -8.157 3.831 1.00 0.00 C ATOM 681 OG SER A 44 -5.782 -7.172 4.844 1.00 0.00 O ATOM 0 H SER A 44 -7.327 -6.159 3.282 1.00 0.00 H new ATOM 0 HA SER A 44 -7.391 -8.946 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.602 -9.125 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.272 -7.915 2.991 1.00 0.00 H new ATOM 0 HG SER A 44 -4.918 -7.286 5.293 1.00 0.00 H new ATOM 687 N GLU A 45 -9.141 -7.954 4.979 1.00 0.00 N ATOM 688 CA GLU A 45 -10.209 -8.413 5.859 1.00 0.00 C ATOM 689 C GLU A 45 -11.071 -9.412 5.087 1.00 0.00 C ATOM 690 O GLU A 45 -11.538 -10.404 5.635 1.00 0.00 O ATOM 691 CB GLU A 45 -11.048 -7.219 6.336 1.00 0.00 C ATOM 692 CG GLU A 45 -11.698 -7.396 7.706 1.00 0.00 C ATOM 693 CD GLU A 45 -12.901 -8.319 7.701 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.005 -7.861 7.344 1.00 0.00 O ATOM 695 OE2 GLU A 45 -12.760 -9.497 8.091 1.00 0.00 O ATOM 0 H GLU A 45 -9.120 -6.945 4.828 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.791 -8.898 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.412 -6.334 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.830 -7.026 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.955 -7.787 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.003 -6.419 8.081 1.00 0.00 H new ATOM 702 N GLN A 46 -11.236 -9.152 3.790 1.00 0.00 N ATOM 703 CA GLN A 46 -11.949 -10.056 2.908 1.00 0.00 C ATOM 704 C GLN A 46 -11.013 -11.160 2.435 1.00 0.00 C ATOM 705 O GLN A 46 -11.350 -12.346 2.478 1.00 0.00 O ATOM 706 CB GLN A 46 -12.484 -9.301 1.689 1.00 0.00 C ATOM 707 CG GLN A 46 -13.393 -8.132 2.025 1.00 0.00 C ATOM 708 CD GLN A 46 -13.780 -7.330 0.795 1.00 0.00 C ATOM 709 OE1 GLN A 46 -12.887 -7.262 -0.181 1.00 0.00 O flip ATOM 710 NE2 GLN A 46 -14.868 -6.762 0.729 1.00 0.00 N flip ATOM 0 H GLN A 46 -10.880 -8.314 3.331 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.784 -10.488 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.640 -8.933 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.030 -10.000 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.295 -8.504 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.892 -7.479 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.530 -6.837 1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.109 -6.215 -0.098 1.00 0.00 H new ATOM 719 N TYR A 47 -9.832 -10.754 1.987 1.00 0.00 N ATOM 720 CA TYR A 47 -8.859 -11.679 1.431 1.00 0.00 C ATOM 721 C TYR A 47 -7.478 -11.514 2.064 1.00 0.00 C ATOM 722 O TYR A 47 -6.653 -10.728 1.604 1.00 0.00 O ATOM 723 CB TYR A 47 -8.785 -11.514 -0.086 1.00 0.00 C ATOM 724 CG TYR A 47 -8.846 -10.083 -0.569 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.733 -9.251 -0.533 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.035 -9.569 -1.064 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.809 -7.946 -0.977 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.117 -8.267 -1.505 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.003 -7.463 -1.461 1.00 0.00 C ATOM 730 OH TYR A 47 -9.088 -6.166 -1.884 1.00 0.00 O ATOM 0 H TYR A 47 -9.525 -9.781 1.999 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.194 -12.690 1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.858 -11.964 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.605 -12.071 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.796 -9.631 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.911 -10.200 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.938 -7.309 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.051 -7.880 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.190 -6.146 -2.858 1.00 0.00 H new ATOM 740 N PRO A 48 -7.198 -12.268 3.134 1.00 0.00 N ATOM 741 CA PRO A 48 -5.898 -12.231 3.811 1.00 0.00 C ATOM 742 C PRO A 48 -4.805 -12.889 2.970 1.00 0.00 C ATOM 743 O PRO A 48 -3.652 -12.991 3.390 1.00 0.00 O ATOM 744 CB PRO A 48 -6.148 -13.003 5.101 1.00 0.00 C ATOM 745 CG PRO A 48 -7.241 -13.953 4.756 1.00 0.00 C ATOM 746 CD PRO A 48 -8.119 -13.231 3.770 1.00 0.00 C ATOM 0 HA PRO A 48 -5.544 -11.215 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.252 -13.530 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.441 -12.337 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.840 -14.870 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.804 -14.239 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.551 -13.916 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.949 -12.727 4.265 1.00 0.00 H new ATOM 754 N GLN A 49 -5.196 -13.345 1.783 1.00 0.00 N ATOM 755 CA GLN A 49 -4.289 -13.972 0.829 1.00 0.00 C ATOM 756 C GLN A 49 -3.223 -12.983 0.365 1.00 0.00 C ATOM 757 O GLN A 49 -2.130 -13.368 -0.055 1.00 0.00 O ATOM 758 CB GLN A 49 -5.104 -14.448 -0.377 1.00 0.00 C ATOM 759 CG GLN A 49 -4.268 -14.869 -1.573 1.00 0.00 C ATOM 760 CD GLN A 49 -5.002 -14.651 -2.880 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.691 -15.541 -3.376 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.868 -13.454 -3.437 1.00 0.00 N ATOM 0 H GLN A 49 -6.160 -13.289 1.454 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.789 -14.813 1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.727 -15.289 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.778 -13.648 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.336 -14.304 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.002 -15.922 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.286 -12.746 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.347 -13.242 -4.312 1.00 0.00 H new ATOM 771 N ALA A 50 -3.543 -11.708 0.460 1.00 0.00 N ATOM 772 CA ALA A 50 -2.607 -10.661 0.104 1.00 0.00 C ATOM 773 C ALA A 50 -2.021 -10.062 1.367 1.00 0.00 C ATOM 774 O ALA A 50 -2.645 -10.122 2.428 1.00 0.00 O ATOM 775 CB ALA A 50 -3.302 -9.597 -0.721 1.00 0.00 C ATOM 0 H ALA A 50 -4.450 -11.371 0.783 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.800 -11.082 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.588 -8.816 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.700 -10.045 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.119 -9.164 -0.143 1.00 0.00 H new ATOM 781 N ASP A 51 -0.832 -9.492 1.276 1.00 0.00 N ATOM 782 CA ASP A 51 -0.188 -8.965 2.463 1.00 0.00 C ATOM 783 C ASP A 51 -0.515 -7.502 2.653 1.00 0.00 C ATOM 784 O ASP A 51 -0.583 -6.733 1.696 1.00 0.00 O ATOM 785 CB ASP A 51 1.326 -9.175 2.452 1.00 0.00 C ATOM 786 CG ASP A 51 1.762 -10.103 3.568 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.720 -9.689 4.745 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.120 -11.264 3.278 1.00 0.00 O ATOM 0 H ASP A 51 -0.303 -9.384 0.411 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.586 -9.528 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.631 -9.590 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.829 -8.214 2.558 1.00 0.00 H new ATOM 793 N PHE A 52 -0.705 -7.136 3.903 1.00 0.00 N ATOM 794 CA PHE A 52 -1.177 -5.817 4.267 1.00 0.00 C ATOM 795 C PHE A 52 -0.085 -5.021 4.965 1.00 0.00 C ATOM 796 O PHE A 52 0.350 -5.377 6.061 1.00 0.00 O ATOM 797 CB PHE A 52 -2.398 -5.960 5.183 1.00 0.00 C ATOM 798 CG PHE A 52 -2.360 -7.202 6.040 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.716 -7.203 7.265 1.00 0.00 C ATOM 800 CD2 PHE A 52 -2.964 -8.373 5.607 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.675 -8.344 8.042 1.00 0.00 C ATOM 802 CE2 PHE A 52 -2.928 -9.516 6.381 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.281 -9.502 7.599 1.00 0.00 C ATOM 0 H PHE A 52 -0.535 -7.749 4.700 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.455 -5.276 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.464 -5.084 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.301 -5.975 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.240 -6.300 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.469 -8.391 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.169 -8.330 8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.406 -10.420 6.033 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.249 -10.395 8.205 1.00 0.00 H new ATOM 813 N TYR A 53 0.354 -3.943 4.336 1.00 0.00 N ATOM 814 CA TYR A 53 1.369 -3.089 4.931 1.00 0.00 C ATOM 815 C TYR A 53 1.069 -1.628 4.669 1.00 0.00 C ATOM 816 O TYR A 53 0.439 -1.282 3.676 1.00 0.00 O ATOM 817 CB TYR A 53 2.759 -3.418 4.392 1.00 0.00 C ATOM 818 CG TYR A 53 3.243 -4.825 4.666 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.834 -5.153 5.880 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.139 -5.816 3.699 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.306 -6.427 6.121 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.604 -7.095 3.934 1.00 0.00 C ATOM 823 CZ TYR A 53 4.188 -7.393 5.146 1.00 0.00 C ATOM 824 OH TYR A 53 4.667 -8.662 5.377 1.00 0.00 O ATOM 0 H TYR A 53 0.026 -3.640 3.419 1.00 0.00 H new ATOM 0 HA TYR A 53 1.353 -3.275 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.761 -3.254 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.473 -2.716 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.925 -4.399 6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.687 -5.583 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.765 -6.666 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.511 -7.856 3.173 1.00 0.00 H new ATOM 0 HH TYR A 53 3.943 -9.312 5.258 1.00 0.00 H new ATOM 834 N LYS A 54 1.524 -0.780 5.573 1.00 0.00 N ATOM 835 CA LYS A 54 1.257 0.638 5.491 1.00 0.00 C ATOM 836 C LYS A 54 2.399 1.436 6.116 1.00 0.00 C ATOM 837 O LYS A 54 3.176 0.895 6.906 1.00 0.00 O ATOM 838 CB LYS A 54 -0.068 0.930 6.189 1.00 0.00 C ATOM 839 CG LYS A 54 -0.047 0.742 7.695 1.00 0.00 C ATOM 840 CD LYS A 54 -1.397 1.074 8.302 1.00 0.00 C ATOM 841 CE LYS A 54 -1.392 0.909 9.811 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.669 1.359 10.420 1.00 0.00 N ATOM 0 H LYS A 54 2.085 -1.056 6.379 1.00 0.00 H new ATOM 0 HA LYS A 54 1.184 0.940 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.360 1.957 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.836 0.282 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.220 -0.288 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.720 1.380 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.667 2.099 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.160 0.427 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.219 -0.138 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.566 1.479 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.626 1.230 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.822 2.364 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.455 0.798 10.033 1.00 0.00 H new ATOM 856 N LEU A 55 2.507 2.710 5.753 1.00 0.00 N ATOM 857 CA LEU A 55 3.558 3.568 6.274 1.00 0.00 C ATOM 858 C LEU A 55 3.164 5.039 6.134 1.00 0.00 C ATOM 859 O LEU A 55 2.413 5.405 5.226 1.00 0.00 O ATOM 860 CB LEU A 55 4.872 3.267 5.536 1.00 0.00 C ATOM 861 CG LEU A 55 6.056 4.187 5.854 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.372 3.434 5.722 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.047 5.376 4.911 1.00 0.00 C ATOM 0 H LEU A 55 1.875 3.170 5.097 1.00 0.00 H new ATOM 0 HA LEU A 55 3.702 3.367 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.165 2.242 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.681 3.314 4.464 1.00 0.00 H new ATOM 0 HG LEU A 55 5.959 4.537 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.200 4.105 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.382 2.594 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.478 3.063 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.890 6.028 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.128 5.025 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.116 5.930 5.033 1.00 0.00 H new ATOM 875 N ASP A 56 3.670 5.867 7.043 1.00 0.00 N ATOM 876 CA ASP A 56 3.419 7.307 7.009 1.00 0.00 C ATOM 877 C ASP A 56 4.536 8.033 6.264 1.00 0.00 C ATOM 878 O ASP A 56 5.691 8.043 6.702 1.00 0.00 O ATOM 879 CB ASP A 56 3.288 7.860 8.432 1.00 0.00 C ATOM 880 CG ASP A 56 3.168 9.376 8.475 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.691 9.978 7.493 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.554 9.975 9.504 1.00 0.00 O ATOM 0 H ASP A 56 4.260 5.564 7.818 1.00 0.00 H new ATOM 0 HA ASP A 56 2.482 7.477 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.412 7.419 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.156 7.554 9.016 1.00 0.00 H new ATOM 887 N VAL A 57 4.176 8.646 5.140 1.00 0.00 N ATOM 888 CA VAL A 57 5.123 9.363 4.291 1.00 0.00 C ATOM 889 C VAL A 57 5.752 10.532 5.046 1.00 0.00 C ATOM 890 O VAL A 57 6.864 10.961 4.735 1.00 0.00 O ATOM 891 CB VAL A 57 4.419 9.907 3.027 1.00 0.00 C ATOM 892 CG1 VAL A 57 5.418 10.541 2.072 1.00 0.00 C ATOM 893 CG2 VAL A 57 3.633 8.805 2.334 1.00 0.00 C ATOM 0 H VAL A 57 3.218 8.660 4.791 1.00 0.00 H new ATOM 0 HA VAL A 57 5.902 8.658 4.000 1.00 0.00 H new ATOM 0 HB VAL A 57 3.719 10.682 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.894 10.915 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.924 11.367 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.153 9.796 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.145 9.209 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.311 8.003 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.879 8.412 3.016 1.00 0.00 H new ATOM 903 N ASP A 58 5.038 11.041 6.043 1.00 0.00 N ATOM 904 CA ASP A 58 5.518 12.175 6.822 1.00 0.00 C ATOM 905 C ASP A 58 6.761 11.788 7.614 1.00 0.00 C ATOM 906 O ASP A 58 7.691 12.581 7.755 1.00 0.00 O ATOM 907 CB ASP A 58 4.426 12.686 7.762 1.00 0.00 C ATOM 908 CG ASP A 58 4.849 13.924 8.527 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.870 15.018 7.931 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.162 13.810 9.732 1.00 0.00 O ATOM 0 H ASP A 58 4.126 10.687 6.331 1.00 0.00 H new ATOM 0 HA ASP A 58 5.780 12.977 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.529 12.909 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.162 11.899 8.469 1.00 0.00 H new ATOM 915 N GLU A 59 6.779 10.558 8.116 1.00 0.00 N ATOM 916 CA GLU A 59 7.939 10.058 8.846 1.00 0.00 C ATOM 917 C GLU A 59 8.997 9.489 7.900 1.00 0.00 C ATOM 918 O GLU A 59 10.191 9.726 8.082 1.00 0.00 O ATOM 919 CB GLU A 59 7.540 8.984 9.863 1.00 0.00 C ATOM 920 CG GLU A 59 6.715 9.504 11.027 1.00 0.00 C ATOM 921 CD GLU A 59 6.568 8.480 12.137 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.429 8.445 13.042 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.592 7.702 12.117 1.00 0.00 O ATOM 0 H GLU A 59 6.010 9.893 8.032 1.00 0.00 H new ATOM 0 HA GLU A 59 8.363 10.910 9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.974 8.206 9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.444 8.516 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.183 10.404 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.727 9.791 10.668 1.00 0.00 H new ATOM 930 N LEU A 60 8.565 8.742 6.890 1.00 0.00 N ATOM 931 CA LEU A 60 9.501 8.060 5.998 1.00 0.00 C ATOM 932 C LEU A 60 9.310 8.474 4.536 1.00 0.00 C ATOM 933 O LEU A 60 8.808 7.702 3.707 1.00 0.00 O ATOM 934 CB LEU A 60 9.362 6.538 6.135 1.00 0.00 C ATOM 935 CG LEU A 60 10.135 5.877 7.289 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.603 6.277 7.262 1.00 0.00 C ATOM 937 CD2 LEU A 60 9.510 6.209 8.637 1.00 0.00 C ATOM 0 H LEU A 60 7.581 8.593 6.668 1.00 0.00 H new ATOM 0 HA LEU A 60 10.505 8.359 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.305 6.302 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.688 6.081 5.201 1.00 0.00 H new ATOM 0 HG LEU A 60 10.074 4.798 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.126 5.796 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.048 5.963 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.687 7.359 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.080 5.727 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.521 7.289 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.481 5.850 8.659 1.00 0.00 H new ATOM 949 N GLY A 61 9.739 9.689 4.220 1.00 0.00 N ATOM 950 CA GLY A 61 9.648 10.182 2.857 1.00 0.00 C ATOM 951 C GLY A 61 10.674 9.539 1.946 1.00 0.00 C ATOM 952 O GLY A 61 10.483 9.467 0.734 1.00 0.00 O ATOM 0 H GLY A 61 10.150 10.345 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.648 9.989 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.788 11.263 2.853 1.00 0.00 H new ATOM 956 N ASP A 62 11.765 9.067 2.538 1.00 0.00 N ATOM 957 CA ASP A 62 12.812 8.370 1.792 1.00 0.00 C ATOM 958 C ASP A 62 12.289 7.054 1.244 1.00 0.00 C ATOM 959 O ASP A 62 12.739 6.562 0.210 1.00 0.00 O ATOM 960 CB ASP A 62 14.020 8.133 2.699 1.00 0.00 C ATOM 961 CG ASP A 62 15.146 7.385 2.015 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.163 6.137 2.083 1.00 0.00 O ATOM 963 OD2 ASP A 62 16.035 8.040 1.429 1.00 0.00 O ATOM 0 H ASP A 62 11.950 9.154 3.537 1.00 0.00 H new ATOM 0 HA ASP A 62 13.119 8.989 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.394 9.094 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.701 7.572 3.577 1.00 0.00 H new ATOM 968 N VAL A 63 11.314 6.499 1.928 1.00 0.00 N ATOM 969 CA VAL A 63 10.662 5.299 1.456 1.00 0.00 C ATOM 970 C VAL A 63 9.734 5.653 0.314 1.00 0.00 C ATOM 971 O VAL A 63 9.835 5.068 -0.750 1.00 0.00 O ATOM 972 CB VAL A 63 9.881 4.586 2.568 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.409 3.224 2.086 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.739 4.442 3.813 1.00 0.00 C ATOM 0 H VAL A 63 10.955 6.859 2.812 1.00 0.00 H new ATOM 0 HA VAL A 63 11.434 4.609 1.115 1.00 0.00 H new ATOM 0 HB VAL A 63 9.008 5.188 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.856 2.727 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.761 3.350 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.271 2.617 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.169 3.934 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.629 3.859 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.036 5.429 4.167 1.00 0.00 H new ATOM 984 N ALA A 64 8.857 6.638 0.531 1.00 0.00 N ATOM 985 CA ALA A 64 7.962 7.135 -0.517 1.00 0.00 C ATOM 986 C ALA A 64 8.718 7.584 -1.778 1.00 0.00 C ATOM 987 O ALA A 64 8.140 7.676 -2.862 1.00 0.00 O ATOM 988 CB ALA A 64 7.120 8.268 0.029 1.00 0.00 C ATOM 0 H ALA A 64 8.748 7.109 1.429 1.00 0.00 H new ATOM 0 HA ALA A 64 7.318 6.309 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.455 8.636 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.527 7.908 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.770 9.077 0.363 1.00 0.00 H new ATOM 994 N GLN A 65 9.994 7.875 -1.644 1.00 0.00 N ATOM 995 CA GLN A 65 10.807 8.209 -2.803 1.00 0.00 C ATOM 996 C GLN A 65 11.346 6.943 -3.444 1.00 0.00 C ATOM 997 O GLN A 65 11.539 6.867 -4.655 1.00 0.00 O ATOM 998 CB GLN A 65 11.945 9.125 -2.367 1.00 0.00 C ATOM 999 CG GLN A 65 13.259 8.422 -2.077 1.00 0.00 C ATOM 1000 CD GLN A 65 14.346 9.386 -1.661 1.00 0.00 C ATOM 1001 OE1 GLN A 65 14.071 10.433 -1.075 1.00 0.00 O ATOM 1002 NE2 GLN A 65 15.587 9.048 -1.964 1.00 0.00 N ATOM 0 H GLN A 65 10.492 7.888 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 65 10.199 8.728 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.112 9.868 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.634 9.665 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.108 7.686 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.580 7.877 -2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.772 8.171 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.360 9.664 -1.711 1.00 0.00 H new ATOM 1011 N LYS A 66 11.581 5.960 -2.603 1.00 0.00 N ATOM 1012 CA LYS A 66 12.082 4.666 -3.038 1.00 0.00 C ATOM 1013 C LYS A 66 11.027 3.894 -3.845 1.00 0.00 C ATOM 1014 O LYS A 66 11.364 3.085 -4.709 1.00 0.00 O ATOM 1015 CB LYS A 66 12.554 3.851 -1.814 1.00 0.00 C ATOM 1016 CG LYS A 66 11.936 2.465 -1.693 1.00 0.00 C ATOM 1017 CD LYS A 66 12.991 1.362 -1.715 1.00 0.00 C ATOM 1018 CE LYS A 66 13.772 1.330 -3.024 1.00 0.00 C ATOM 1019 NZ LYS A 66 12.932 0.916 -4.178 1.00 0.00 N ATOM 0 H LYS A 66 11.431 6.031 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 66 12.931 4.830 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.638 3.747 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.326 4.415 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.366 2.402 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.232 2.310 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.683 1.509 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.507 0.397 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.189 2.318 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.612 0.643 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.520 0.861 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.513 -0.016 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.174 1.613 -4.323 1.00 0.00 H new ATOM 1033 N ASN A 67 9.758 4.159 -3.571 1.00 0.00 N ATOM 1034 CA ASN A 67 8.657 3.403 -4.169 1.00 0.00 C ATOM 1035 C ASN A 67 7.898 4.229 -5.187 1.00 0.00 C ATOM 1036 O ASN A 67 7.028 3.697 -5.878 1.00 0.00 O ATOM 1037 CB ASN A 67 7.695 2.958 -3.081 1.00 0.00 C ATOM 1038 CG ASN A 67 7.558 4.004 -2.046 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.540 5.168 -2.372 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.522 3.618 -0.795 1.00 0.00 N ATOM 0 H ASN A 67 9.459 4.897 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 67 9.086 2.540 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.720 2.741 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.054 2.034 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.477 4.311 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.539 2.624 -0.567 1.00 0.00 H new ATOM 1047 N GLU A 68 8.221 5.521 -5.257 1.00 0.00 N ATOM 1048 CA GLU A 68 7.647 6.430 -6.247 1.00 0.00 C ATOM 1049 C GLU A 68 6.261 6.930 -5.834 1.00 0.00 C ATOM 1050 O GLU A 68 5.508 7.466 -6.650 1.00 0.00 O ATOM 1051 CB GLU A 68 7.563 5.741 -7.612 1.00 0.00 C ATOM 1052 CG GLU A 68 7.231 6.662 -8.777 1.00 0.00 C ATOM 1053 CD GLU A 68 6.860 5.901 -10.031 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.765 5.561 -10.821 1.00 0.00 O ATOM 1055 OE2 GLU A 68 5.656 5.640 -10.239 1.00 0.00 O ATOM 0 H GLU A 68 8.889 5.966 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 68 8.306 7.295 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.516 5.252 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.807 4.957 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.405 7.316 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.088 7.303 -8.985 1.00 0.00 H new ATOM 1062 N VAL A 69 5.923 6.786 -4.573 1.00 0.00 N ATOM 1063 CA VAL A 69 4.684 7.371 -4.081 1.00 0.00 C ATOM 1064 C VAL A 69 4.947 8.753 -3.490 1.00 0.00 C ATOM 1065 O VAL A 69 5.579 8.893 -2.448 1.00 0.00 O ATOM 1066 CB VAL A 69 3.915 6.463 -3.076 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.837 5.645 -2.193 1.00 0.00 C ATOM 1068 CG2 VAL A 69 2.988 7.290 -2.204 1.00 0.00 C ATOM 0 H VAL A 69 6.471 6.281 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 69 4.026 7.469 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 69 3.334 5.767 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.243 5.033 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.458 5.000 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.474 6.314 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.461 6.635 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.571 8.020 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.265 7.810 -2.832 1.00 0.00 H new ATOM 1078 N SER A 70 4.485 9.777 -4.189 1.00 0.00 N ATOM 1079 CA SER A 70 4.683 11.150 -3.756 1.00 0.00 C ATOM 1080 C SER A 70 3.367 11.740 -3.263 1.00 0.00 C ATOM 1081 O SER A 70 3.346 12.597 -2.375 1.00 0.00 O ATOM 1082 CB SER A 70 5.251 11.985 -4.910 1.00 0.00 C ATOM 1083 OG SER A 70 5.603 13.290 -4.485 1.00 0.00 O ATOM 0 H SER A 70 3.968 9.682 -5.063 1.00 0.00 H new ATOM 0 HA SER A 70 5.396 11.165 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.128 11.487 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.514 12.049 -5.711 1.00 0.00 H new ATOM 0 HG SER A 70 5.963 13.795 -5.244 1.00 0.00 H new ATOM 1089 N ALA A 71 2.272 11.268 -3.839 1.00 0.00 N ATOM 1090 CA ALA A 71 0.951 11.719 -3.442 1.00 0.00 C ATOM 1091 C ALA A 71 0.441 10.891 -2.273 1.00 0.00 C ATOM 1092 O ALA A 71 0.966 9.814 -1.994 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.012 11.630 -4.615 1.00 0.00 C ATOM 0 H ALA A 71 2.274 10.571 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 71 1.018 12.760 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.999 11.971 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.348 12.258 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.077 10.596 -4.955 1.00 0.00 H new ATOM 1099 N MET A 72 -0.571 11.393 -1.586 1.00 0.00 N ATOM 1100 CA MET A 72 -1.164 10.664 -0.476 1.00 0.00 C ATOM 1101 C MET A 72 -2.633 11.030 -0.311 1.00 0.00 C ATOM 1102 O MET A 72 -3.026 12.172 -0.543 1.00 0.00 O ATOM 1103 CB MET A 72 -0.408 10.925 0.837 1.00 0.00 C ATOM 1104 CG MET A 72 -0.300 12.393 1.228 1.00 0.00 C ATOM 1105 SD MET A 72 1.001 13.272 0.338 1.00 0.00 S ATOM 1106 CE MET A 72 2.453 12.352 0.850 1.00 0.00 C ATOM 0 H MET A 72 -0.999 12.299 -1.776 1.00 0.00 H new ATOM 0 HA MET A 72 -1.088 9.602 -0.708 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.907 10.385 1.641 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.597 10.511 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.255 12.884 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.110 12.464 2.299 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.212 13.044 1.214 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.182 11.658 1.646 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.848 11.794 0.001 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.463 10.057 0.087 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.015 8.687 0.317 1.00 0.00 C ATOM 1118 C PRO A 73 -2.868 7.883 -0.980 1.00 0.00 C ATOM 1119 O PRO A 73 -3.595 8.101 -1.948 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.113 8.109 1.203 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.349 8.865 0.841 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.903 10.226 0.361 1.00 0.00 C ATOM 0 HA PRO A 73 -2.023 8.650 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.239 7.041 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.872 8.231 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.907 8.344 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.012 8.957 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.446 10.531 -0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.078 10.992 1.116 1.00 0.00 H new ATOM 1130 N THR A 74 -1.923 6.956 -0.975 1.00 0.00 N ATOM 1131 CA THR A 74 -1.572 6.185 -2.160 1.00 0.00 C ATOM 1132 C THR A 74 -1.457 4.704 -1.837 1.00 0.00 C ATOM 1133 O THR A 74 -1.000 4.315 -0.764 1.00 0.00 O ATOM 1134 CB THR A 74 -0.237 6.686 -2.755 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.418 7.981 -3.332 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.333 5.725 -3.800 1.00 0.00 C ATOM 0 H THR A 74 -1.376 6.716 -0.148 1.00 0.00 H new ATOM 0 HA THR A 74 -2.369 6.323 -2.891 1.00 0.00 H new ATOM 0 HB THR A 74 0.483 6.740 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.322 8.565 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.271 6.123 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.513 4.753 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.379 5.613 -4.618 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.892 3.890 -2.774 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.786 2.457 -2.652 1.00 0.00 C ATOM 1146 C LEU A 75 -0.800 1.926 -3.677 1.00 0.00 C ATOM 1147 O LEU A 75 -0.947 2.189 -4.870 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.136 1.809 -2.906 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.296 2.307 -2.051 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.105 3.383 -2.777 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.175 1.139 -1.681 1.00 0.00 C ATOM 0 H LEU A 75 -2.328 4.205 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.446 2.221 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.395 1.958 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.034 0.735 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.894 2.763 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.924 3.715 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.459 4.230 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.510 2.972 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.007 1.489 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.562 0.673 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.593 0.409 -1.118 1.00 0.00 H new ATOM 1163 N LEU A 76 0.200 1.194 -3.226 1.00 0.00 N ATOM 1164 CA LEU A 76 1.138 0.569 -4.137 1.00 0.00 C ATOM 1165 C LEU A 76 1.063 -0.949 -4.015 1.00 0.00 C ATOM 1166 O LEU A 76 1.389 -1.518 -2.976 1.00 0.00 O ATOM 1167 CB LEU A 76 2.559 1.071 -3.866 1.00 0.00 C ATOM 1168 CG LEU A 76 3.219 1.808 -5.039 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.571 2.373 -4.624 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.376 0.873 -6.232 1.00 0.00 C ATOM 0 H LEU A 76 0.383 1.018 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 76 0.871 0.842 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.535 1.738 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.183 0.220 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 76 2.575 2.638 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.023 2.892 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.435 3.072 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.223 1.560 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.846 1.410 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.999 0.025 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.395 0.514 -6.545 1.00 0.00 H new ATOM 1182 N LEU A 77 0.602 -1.590 -5.080 1.00 0.00 N ATOM 1183 CA LEU A 77 0.472 -3.040 -5.127 1.00 0.00 C ATOM 1184 C LEU A 77 1.700 -3.622 -5.810 1.00 0.00 C ATOM 1185 O LEU A 77 2.125 -3.122 -6.857 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.782 -3.454 -5.921 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.162 -3.280 -5.254 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.242 -2.022 -4.400 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.222 -3.226 -6.338 1.00 0.00 C ATOM 0 H LEU A 77 0.308 -1.120 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 77 0.381 -3.416 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.789 -2.886 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.673 -4.505 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.324 -4.129 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.234 -1.948 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.492 -2.070 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.058 -1.147 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.204 -3.103 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.022 -2.384 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.203 -4.152 -6.912 1.00 0.00 H new ATOM 1201 N PHE A 78 2.269 -4.668 -5.239 1.00 0.00 N ATOM 1202 CA PHE A 78 3.442 -5.299 -5.826 1.00 0.00 C ATOM 1203 C PHE A 78 3.262 -6.806 -5.956 1.00 0.00 C ATOM 1204 O PHE A 78 2.497 -7.413 -5.203 1.00 0.00 O ATOM 1205 CB PHE A 78 4.684 -5.019 -4.988 1.00 0.00 C ATOM 1206 CG PHE A 78 5.230 -3.631 -5.142 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.705 -2.580 -4.418 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.288 -3.385 -6.001 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.224 -1.312 -4.547 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.807 -2.116 -6.137 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.276 -1.078 -5.407 1.00 0.00 C ATOM 0 H PHE A 78 1.942 -5.098 -4.374 1.00 0.00 H new ATOM 0 HA PHE A 78 3.567 -4.872 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.446 -5.189 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.460 -5.735 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.879 -2.754 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.712 -4.198 -6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.806 -0.498 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.628 -1.937 -6.815 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.682 -0.082 -5.507 1.00 0.00 H new ATOM 1221 N LYS A 79 3.955 -7.399 -6.923 1.00 0.00 N ATOM 1222 CA LYS A 79 4.036 -8.848 -7.028 1.00 0.00 C ATOM 1223 C LYS A 79 5.489 -9.269 -7.275 1.00 0.00 C ATOM 1224 O LYS A 79 6.097 -8.857 -8.264 1.00 0.00 O ATOM 1225 CB LYS A 79 3.143 -9.344 -8.166 1.00 0.00 C ATOM 1226 CG LYS A 79 2.878 -10.841 -8.148 1.00 0.00 C ATOM 1227 CD LYS A 79 1.955 -11.238 -7.006 1.00 0.00 C ATOM 1228 CE LYS A 79 1.772 -12.748 -6.932 1.00 0.00 C ATOM 1229 NZ LYS A 79 1.156 -13.305 -8.165 1.00 0.00 N ATOM 0 H LYS A 79 4.469 -6.895 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 79 3.691 -9.293 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.190 -8.818 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.606 -9.081 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.433 -11.143 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.823 -11.376 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.364 -10.874 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.985 -10.759 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.740 -13.221 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.147 -12.994 -6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.835 -14.278 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.343 -12.718 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.858 -13.309 -8.932 1.00 0.00 H new ATOM 1243 N ASN A 80 6.027 -10.072 -6.349 1.00 0.00 N ATOM 1244 CA ASN A 80 7.396 -10.633 -6.423 1.00 0.00 C ATOM 1245 C ASN A 80 8.472 -9.610 -6.796 1.00 0.00 C ATOM 1246 O ASN A 80 9.209 -9.791 -7.769 1.00 0.00 O ATOM 1247 CB ASN A 80 7.483 -11.866 -7.351 1.00 0.00 C ATOM 1248 CG ASN A 80 6.875 -11.676 -8.730 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.697 -11.962 -8.944 1.00 0.00 O ATOM 1250 ND2 ASN A 80 7.670 -11.206 -9.676 1.00 0.00 N ATOM 0 H ASN A 80 5.521 -10.359 -5.511 1.00 0.00 H new ATOM 0 HA ASN A 80 7.608 -10.953 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.531 -12.141 -7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.986 -12.705 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.312 -11.069 -10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.641 -10.980 -9.460 1.00 0.00 H new ATOM 1257 N GLY A 81 8.574 -8.538 -6.016 1.00 0.00 N ATOM 1258 CA GLY A 81 9.639 -7.567 -6.226 1.00 0.00 C ATOM 1259 C GLY A 81 9.360 -6.646 -7.390 1.00 0.00 C ATOM 1260 O GLY A 81 10.193 -5.818 -7.755 1.00 0.00 O ATOM 0 H GLY A 81 7.942 -8.323 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.769 -6.974 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.577 -8.094 -6.400 1.00 0.00 H new ATOM 1264 N LYS A 82 8.184 -6.789 -7.973 1.00 0.00 N ATOM 1265 CA LYS A 82 7.776 -5.963 -9.089 1.00 0.00 C ATOM 1266 C LYS A 82 6.452 -5.319 -8.743 1.00 0.00 C ATOM 1267 O LYS A 82 5.767 -5.787 -7.848 1.00 0.00 O ATOM 1268 CB LYS A 82 7.626 -6.807 -10.356 1.00 0.00 C ATOM 1269 CG LYS A 82 8.837 -7.675 -10.668 1.00 0.00 C ATOM 1270 CD LYS A 82 8.656 -8.451 -11.963 1.00 0.00 C ATOM 1271 CE LYS A 82 8.385 -7.527 -13.139 1.00 0.00 C ATOM 1272 NZ LYS A 82 8.280 -8.274 -14.418 1.00 0.00 N ATOM 0 H LYS A 82 7.489 -7.478 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 82 8.532 -5.201 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.750 -7.447 -10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.439 -6.145 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.725 -7.047 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.006 -8.372 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.551 -9.040 -12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.830 -9.153 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.461 -6.977 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.185 -6.790 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.095 -7.608 -15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.171 -8.779 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.500 -8.959 -14.357 1.00 0.00 H new ATOM 1286 N GLU A 83 6.095 -4.252 -9.427 1.00 0.00 N ATOM 1287 CA GLU A 83 4.810 -3.617 -9.206 1.00 0.00 C ATOM 1288 C GLU A 83 3.699 -4.508 -9.767 1.00 0.00 C ATOM 1289 O GLU A 83 3.964 -5.618 -10.232 1.00 0.00 O ATOM 1290 CB GLU A 83 4.801 -2.244 -9.891 1.00 0.00 C ATOM 1291 CG GLU A 83 3.644 -1.343 -9.481 1.00 0.00 C ATOM 1292 CD GLU A 83 3.778 0.057 -10.038 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.606 0.834 -9.527 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.059 0.389 -11.000 1.00 0.00 O ATOM 0 H GLU A 83 6.674 -3.806 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 83 4.639 -3.479 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.739 -1.735 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.766 -2.391 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.707 -1.780 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.592 -1.295 -8.393 1.00 0.00 H new ATOM 1301 N VAL A 84 2.464 -4.052 -9.628 1.00 0.00 N ATOM 1302 CA VAL A 84 1.339 -4.583 -10.381 1.00 0.00 C ATOM 1303 C VAL A 84 0.301 -3.490 -10.585 1.00 0.00 C ATOM 1304 O VAL A 84 -0.328 -3.408 -11.643 1.00 0.00 O ATOM 1305 CB VAL A 84 0.675 -5.811 -9.728 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.353 -7.099 -10.164 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.704 -5.692 -8.225 1.00 0.00 C ATOM 0 H VAL A 84 2.213 -3.300 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 84 1.741 -4.922 -11.336 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.363 -5.843 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.863 -7.948 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.281 -7.200 -11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.403 -7.075 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.231 -6.568 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.738 -5.627 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.165 -4.795 -7.921 1.00 0.00 H new ATOM 1317 N ALA A 85 0.151 -2.630 -9.580 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.785 -1.518 -9.661 1.00 0.00 C ATOM 1319 C ALA A 85 -0.526 -0.488 -8.572 1.00 0.00 C ATOM 1320 O ALA A 85 0.054 -0.802 -7.539 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.218 -2.025 -9.587 1.00 0.00 C ATOM 0 H ALA A 85 0.667 -2.684 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.635 -1.026 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.906 -1.182 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.406 -2.708 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.370 -2.549 -8.643 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.940 0.749 -8.825 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.796 1.827 -7.850 1.00 0.00 C ATOM 1329 C LYS A 86 -1.826 2.927 -8.087 1.00 0.00 C ATOM 1330 O LYS A 86 -1.999 3.405 -9.209 1.00 0.00 O ATOM 1331 CB LYS A 86 0.629 2.398 -7.861 1.00 0.00 C ATOM 1332 CG LYS A 86 1.324 2.340 -9.212 1.00 0.00 C ATOM 1333 CD LYS A 86 0.944 3.497 -10.117 1.00 0.00 C ATOM 1334 CE LYS A 86 1.624 3.375 -11.471 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.079 3.102 -11.335 1.00 0.00 N ATOM 0 H LYS A 86 -1.380 1.032 -9.701 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.980 1.405 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.593 3.436 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.231 1.852 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.403 2.342 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.073 1.401 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.138 3.519 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.227 4.439 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.156 2.573 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.478 4.296 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.590 3.538 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.425 3.502 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.242 2.075 -11.341 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.511 3.320 -7.023 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.579 4.307 -7.114 1.00 0.00 C ATOM 1351 C VAL A 87 -3.411 5.366 -6.032 1.00 0.00 C ATOM 1352 O VAL A 87 -3.169 5.039 -4.873 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.974 3.652 -6.982 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.076 4.688 -7.146 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -5.145 2.529 -7.995 1.00 0.00 C ATOM 0 H VAL A 87 -2.345 2.968 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.512 4.772 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.050 3.225 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.048 4.204 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.974 5.453 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.997 5.150 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.134 2.084 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.040 2.930 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.383 1.768 -7.826 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.542 6.627 -6.411 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.371 7.730 -5.474 1.00 0.00 C ATOM 1367 C VAL A 88 -4.718 8.210 -4.925 1.00 0.00 C ATOM 1368 O VAL A 88 -4.999 9.412 -4.880 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.622 8.909 -6.139 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.183 8.521 -6.438 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.324 9.347 -7.417 1.00 0.00 C ATOM 0 H VAL A 88 -3.767 6.915 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.774 7.359 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.624 9.747 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.669 9.361 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.677 8.258 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.170 7.666 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.778 10.177 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.357 8.513 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.340 9.665 -7.183 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.548 7.266 -4.490 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.864 7.608 -4.001 1.00 0.00 C ATOM 1383 C GLY A 89 -7.668 6.381 -3.633 1.00 0.00 C ATOM 1384 O GLY A 89 -7.748 5.426 -4.409 1.00 0.00 O ATOM 0 H GLY A 89 -5.328 6.270 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.770 8.255 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.398 8.176 -4.763 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.238 6.397 -2.441 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.066 5.309 -1.959 1.00 0.00 C ATOM 1390 C ALA A 90 -10.334 5.155 -2.777 1.00 0.00 C ATOM 1391 O ALA A 90 -11.218 6.011 -2.739 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.433 5.549 -0.516 1.00 0.00 C ATOM 0 H ALA A 90 -8.139 7.167 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.488 4.390 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.055 4.729 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.526 5.606 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.984 6.486 -0.432 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.424 4.063 -3.507 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.634 3.742 -4.231 1.00 0.00 C ATOM 1400 C ASN A 91 -12.224 2.454 -3.675 1.00 0.00 C ATOM 1401 O ASN A 91 -11.904 1.373 -4.164 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.332 3.585 -5.718 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.190 4.487 -6.583 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -13.381 4.821 -6.101 1.00 0.00 O flip ATOM 1405 ND2 ASN A 91 -11.785 4.888 -7.675 1.00 0.00 N flip ATOM 0 H ASN A 91 -9.672 3.382 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.354 4.551 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.280 3.808 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.492 2.547 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.863 4.609 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.371 5.499 -8.243 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.104 2.576 -2.655 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.640 1.469 -1.862 1.00 0.00 C ATOM 1414 C PRO A 92 -13.598 0.093 -2.531 1.00 0.00 C ATOM 1415 O PRO A 92 -12.651 -0.660 -2.328 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.072 1.931 -1.618 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.980 3.426 -1.526 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.662 3.840 -2.156 1.00 0.00 C ATOM 0 HA PRO A 92 -13.043 1.294 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.731 1.624 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.476 1.502 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.817 3.895 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.027 3.750 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.811 4.558 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.001 4.311 -1.429 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.589 -0.218 -3.354 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.731 -1.567 -3.892 1.00 0.00 C ATOM 1428 C ALA A 93 -13.851 -1.792 -5.111 1.00 0.00 C ATOM 1429 O ALA A 93 -13.416 -2.915 -5.369 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.185 -1.847 -4.231 1.00 0.00 C ATOM 0 H ALA A 93 -15.304 0.440 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.401 -2.263 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.277 -2.857 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.792 -1.757 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.530 -1.129 -4.975 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.578 -0.728 -5.850 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.784 -0.830 -7.069 1.00 0.00 C ATOM 1438 C ALA A 94 -11.348 -1.210 -6.759 1.00 0.00 C ATOM 1439 O ALA A 94 -10.697 -1.904 -7.540 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.824 0.477 -7.844 1.00 0.00 C ATOM 0 H ALA A 94 -13.893 0.216 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.219 -1.618 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.226 0.381 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.855 0.709 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.420 1.279 -7.226 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.848 -0.758 -5.623 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.493 -1.089 -5.244 1.00 0.00 C ATOM 1448 C ILE A 95 -9.447 -2.459 -4.574 1.00 0.00 C ATOM 1449 O ILE A 95 -8.470 -3.187 -4.729 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.848 -0.026 -4.337 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.924 1.359 -4.983 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.398 -0.382 -4.067 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.254 1.446 -6.338 1.00 0.00 C ATOM 0 H ILE A 95 -11.352 -0.171 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.907 -1.115 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.398 -0.003 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.971 1.642 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.463 2.086 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.951 0.376 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.348 -1.352 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.853 -0.426 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.352 2.459 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.198 1.196 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.729 0.745 -7.025 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.507 -2.827 -3.847 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.606 -4.193 -3.331 1.00 0.00 C ATOM 1467 C LYS A 96 -10.539 -5.155 -4.513 1.00 0.00 C ATOM 1468 O LYS A 96 -9.770 -6.121 -4.521 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.911 -4.456 -2.556 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.317 -3.386 -1.564 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.625 -3.750 -0.878 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.084 -2.665 0.082 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.410 -2.978 0.679 1.00 0.00 N ATOM 0 H LYS A 96 -11.288 -2.216 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.783 -4.341 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.719 -4.583 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.810 -5.400 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.533 -3.260 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.425 -2.430 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.395 -3.918 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.501 -4.687 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.347 -2.547 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.139 -1.713 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.688 -2.214 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.119 -3.065 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.352 -3.874 1.204 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.329 -4.839 -5.533 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.363 -5.608 -6.765 1.00 0.00 C ATOM 1489 C GLN A 97 -9.985 -5.612 -7.423 1.00 0.00 C ATOM 1490 O GLN A 97 -9.589 -6.598 -8.045 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.439 -5.023 -7.700 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.621 -5.763 -9.024 1.00 0.00 C ATOM 1493 CD GLN A 97 -11.611 -5.357 -10.080 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -11.129 -4.224 -10.093 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -11.286 -6.274 -10.976 1.00 0.00 N ATOM 0 H GLN A 97 -11.964 -4.041 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.623 -6.644 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.392 -5.016 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.186 -3.985 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.541 -6.836 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.626 -5.577 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.707 -7.202 -10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.614 -6.053 -11.711 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.245 -4.522 -7.252 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.914 -4.418 -7.814 1.00 0.00 C ATOM 1506 C ALA A 98 -6.995 -5.441 -7.176 1.00 0.00 C ATOM 1507 O ALA A 98 -6.347 -6.217 -7.865 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.362 -3.014 -7.634 1.00 0.00 C ATOM 0 H ALA A 98 -9.549 -3.701 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.972 -4.623 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.362 -2.959 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.013 -2.300 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.315 -2.775 -6.572 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.967 -5.459 -5.857 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.099 -6.368 -5.117 1.00 0.00 C ATOM 1516 C ILE A 99 -6.327 -7.809 -5.560 1.00 0.00 C ATOM 1517 O ILE A 99 -5.381 -8.573 -5.745 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.327 -6.289 -3.593 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.518 -4.846 -3.129 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.153 -6.926 -2.879 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.537 -3.883 -3.735 1.00 0.00 C ATOM 0 H ILE A 99 -7.538 -4.852 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.077 -6.058 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.241 -6.831 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.530 -4.525 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.428 -4.808 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.310 -6.872 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.066 -7.970 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.237 -6.395 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.734 -2.879 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.523 -4.179 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.642 -3.892 -4.820 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.592 -8.157 -5.755 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.961 -9.500 -6.185 1.00 0.00 C ATOM 1535 C ALA A 100 -7.538 -9.753 -7.632 1.00 0.00 C ATOM 1536 O ALA A 100 -7.319 -10.895 -8.035 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.459 -9.710 -6.023 1.00 0.00 C ATOM 0 H ALA A 100 -8.382 -7.526 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.434 -10.216 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.722 -10.717 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.733 -9.583 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.996 -8.981 -6.630 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.426 -8.682 -8.404 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.036 -8.774 -9.805 1.00 0.00 C ATOM 1545 C ALA A 101 -5.524 -8.910 -9.956 1.00 0.00 C ATOM 1546 O ALA A 101 -5.038 -9.734 -10.731 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.520 -7.546 -10.563 1.00 0.00 C ATOM 0 H ALA A 101 -7.601 -7.731 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.500 -9.668 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.224 -7.624 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.606 -7.483 -10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.077 -6.651 -10.126 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.789 -8.109 -9.194 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.336 -8.018 -9.341 1.00 0.00 C ATOM 1555 C ASN A 102 -2.619 -9.172 -8.657 1.00 0.00 C ATOM 1556 O ASN A 102 -1.445 -9.417 -8.923 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.815 -6.691 -8.781 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.412 -5.488 -9.479 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.969 -5.090 -10.553 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.398 -4.879 -8.845 1.00 0.00 N ATOM 0 H ASN A 102 -5.175 -7.510 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.124 -8.071 -10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.041 -6.637 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.730 -6.661 -8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.823 -4.043 -9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.735 -5.245 -7.954 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.318 -9.865 -7.768 1.00 0.00 N ATOM 1568 CA ALA A 103 -2.732 -10.993 -7.053 1.00 0.00 C ATOM 1569 C ALA A 103 -2.497 -12.176 -7.986 1.00 0.00 C ATOM 1570 O ALA A 103 -1.350 -12.363 -8.443 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.623 -11.401 -5.889 1.00 0.00 C ATOM 1572 OXT ALA A 103 -3.462 -12.916 -8.266 1.00 0.00 O ATOM 0 H ALA A 103 -4.289 -9.667 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.764 -10.679 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.173 -12.244 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.731 -10.562 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.604 -11.690 -6.266 1.00 0.00 H new TER 1578 ALA A 103