USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 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 36 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-5.1!) USER MOD Set 1.2: A 104 SER OG : rot 140:sc=-0.00122 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 142:sc= -0.0267 (180deg=-1.78!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.112 K(o=-0.11,f=-4.3!) USER MOD Single : A 35 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.16) USER MOD Single : A 37 CYS SG : rot -166:sc= -2.5 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.267 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.62 F(o=-2.7!,f=-1.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.99 X(o=-4,f=-4.3!) USER MOD Single : A 57 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.03) USER MOD Single : A 61 MET CE :methyl -147:sc= -0.458 (180deg=-1.24) USER MOD Single : A 63 SER OG : rot 57:sc= 1.2 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.36) USER MOD Single : A 79 SER OG : rot -150:sc= -0.026 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.5!) USER MOD Single : A 89 ASN :FLIP amide:sc= 0.188 F(o=-1.9!,f=0.19) USER MOD Single : A 94 SER OG : rot 180:sc= -0.444 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.634 -0.992 5.054 1.00 0.00 N ATOM 67 CA LEU A 8 -6.473 -1.934 3.959 1.00 0.00 C ATOM 68 C LEU A 8 -7.564 -1.686 2.915 1.00 0.00 C ATOM 69 O LEU A 8 -7.272 -1.288 1.789 1.00 0.00 O ATOM 70 CB LEU A 8 -6.442 -3.369 4.487 1.00 0.00 C ATOM 71 CG LEU A 8 -5.129 -3.818 5.131 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.622 -2.774 6.128 1.00 0.00 C ATOM 73 CD2 LEU A 8 -5.277 -5.199 5.774 1.00 0.00 C ATOM 0 HA LEU A 8 -5.515 -1.781 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.241 -3.483 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.668 -4.044 3.662 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.377 -3.907 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.688 -3.118 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.452 -1.829 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.364 -2.630 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.329 -5.494 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.048 -5.161 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.559 -5.926 5.013 1.00 0.00 H new ATOM 85 N GLY A 9 -8.799 -1.933 3.326 1.00 0.00 N ATOM 86 CA GLY A 9 -9.935 -1.742 2.441 1.00 0.00 C ATOM 87 C GLY A 9 -9.695 -0.571 1.486 1.00 0.00 C ATOM 88 O GLY A 9 -9.475 -0.774 0.293 1.00 0.00 O ATOM 0 H GLY A 9 -9.038 -2.264 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.112 -2.653 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.833 -1.557 3.031 1.00 0.00 H new ATOM 92 N ALA A 10 -9.745 0.628 2.047 1.00 0.00 N ATOM 93 CA ALA A 10 -9.536 1.831 1.260 1.00 0.00 C ATOM 94 C ALA A 10 -8.360 1.613 0.305 1.00 0.00 C ATOM 95 O ALA A 10 -8.496 1.792 -0.904 1.00 0.00 O ATOM 96 CB ALA A 10 -9.315 3.021 2.195 1.00 0.00 C ATOM 0 H ALA A 10 -9.927 0.792 3.037 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.415 2.051 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.158 3.924 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.190 3.151 2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.439 2.837 2.817 1.00 0.00 H new ATOM 102 N LEU A 11 -7.232 1.230 0.885 1.00 0.00 N ATOM 103 CA LEU A 11 -6.033 0.986 0.101 1.00 0.00 C ATOM 104 C LEU A 11 -6.357 0.003 -1.026 1.00 0.00 C ATOM 105 O LEU A 11 -6.172 0.318 -2.200 1.00 0.00 O ATOM 106 CB LEU A 11 -4.887 0.529 1.005 1.00 0.00 C ATOM 107 CG LEU A 11 -4.171 -0.756 0.583 1.00 0.00 C ATOM 108 CD1 LEU A 11 -3.563 -0.612 -0.813 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.129 -1.171 1.623 1.00 0.00 C ATOM 0 H LEU A 11 -7.123 1.083 1.888 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.690 1.908 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.151 1.331 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.279 0.389 2.012 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.909 -1.556 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.060 -1.539 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.353 -0.400 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.842 0.206 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.635 -2.087 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.388 -0.379 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.620 -1.344 2.581 1.00 0.00 H new ATOM 121 N TYR A 12 -6.836 -1.166 -0.628 1.00 0.00 N ATOM 122 CA TYR A 12 -7.188 -2.197 -1.591 1.00 0.00 C ATOM 123 C TYR A 12 -8.090 -1.635 -2.691 1.00 0.00 C ATOM 124 O TYR A 12 -7.848 -1.864 -3.875 1.00 0.00 O ATOM 125 CB TYR A 12 -7.961 -3.259 -0.807 1.00 0.00 C ATOM 126 CG TYR A 12 -8.497 -4.403 -1.671 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.634 -5.129 -2.466 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.842 -4.708 -1.655 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.138 -6.206 -3.279 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.346 -5.785 -2.468 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.469 -6.480 -3.240 1.00 0.00 C ATOM 132 OH TYR A 12 -9.945 -7.497 -4.008 1.00 0.00 O ATOM 0 H TYR A 12 -6.989 -1.423 0.347 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.294 -2.598 -2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.310 -3.673 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.797 -2.782 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.581 -4.890 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.517 -4.139 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.474 -6.783 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.397 -6.035 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.913 -7.579 -3.879 1.00 0.00 H new ATOM 142 N LEU A 13 -9.112 -0.910 -2.261 1.00 0.00 N ATOM 143 CA LEU A 13 -10.052 -0.313 -3.195 1.00 0.00 C ATOM 144 C LEU A 13 -9.278 0.430 -4.286 1.00 0.00 C ATOM 145 O LEU A 13 -9.660 0.397 -5.455 1.00 0.00 O ATOM 146 CB LEU A 13 -11.062 0.564 -2.452 1.00 0.00 C ATOM 147 CG LEU A 13 -12.196 -0.176 -1.739 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.018 0.783 -0.876 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.068 -0.938 -2.739 1.00 0.00 C ATOM 0 H LEU A 13 -9.310 -0.722 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.640 -1.086 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.523 1.159 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.502 1.261 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.755 -0.914 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.817 0.232 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.373 1.241 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.450 1.560 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.866 -1.455 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.502 -0.237 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.458 -1.666 -3.273 1.00 0.00 H new ATOM 161 N SER A 14 -8.204 1.082 -3.865 1.00 0.00 N ATOM 162 CA SER A 14 -7.373 1.832 -4.792 1.00 0.00 C ATOM 163 C SER A 14 -6.683 0.876 -5.767 1.00 0.00 C ATOM 164 O SER A 14 -6.768 1.054 -6.981 1.00 0.00 O ATOM 165 CB SER A 14 -6.333 2.670 -4.045 1.00 0.00 C ATOM 166 OG SER A 14 -6.624 4.063 -4.111 1.00 0.00 O ATOM 0 H SER A 14 -7.890 1.107 -2.895 1.00 0.00 H new ATOM 0 HA SER A 14 -8.014 2.513 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.296 2.356 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.346 2.485 -4.469 1.00 0.00 H new ATOM 0 HG SER A 14 -5.939 4.564 -3.621 1.00 0.00 H new ATOM 172 N MET A 15 -6.015 -0.118 -5.199 1.00 0.00 N ATOM 173 CA MET A 15 -5.311 -1.102 -6.003 1.00 0.00 C ATOM 174 C MET A 15 -6.155 -1.535 -7.203 1.00 0.00 C ATOM 175 O MET A 15 -5.618 -1.834 -8.269 1.00 0.00 O ATOM 176 CB MET A 15 -4.982 -2.324 -5.142 1.00 0.00 C ATOM 177 CG MET A 15 -3.798 -2.039 -4.216 1.00 0.00 C ATOM 178 SD MET A 15 -3.524 -3.429 -3.130 1.00 0.00 S ATOM 179 CE MET A 15 -1.747 -3.364 -2.985 1.00 0.00 C ATOM 0 H MET A 15 -5.947 -0.263 -4.192 1.00 0.00 H new ATOM 0 HA MET A 15 -4.391 -0.650 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.854 -2.601 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.750 -3.174 -5.784 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.902 -1.846 -4.806 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.992 -1.141 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.456 -3.615 -1.965 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.299 -4.078 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.399 -2.359 -3.225 1.00 0.00 H new ATOM 189 N LYS A 16 -7.462 -1.555 -6.990 1.00 0.00 N ATOM 190 CA LYS A 16 -8.386 -1.947 -8.041 1.00 0.00 C ATOM 191 C LYS A 16 -8.250 -0.980 -9.219 1.00 0.00 C ATOM 192 O LYS A 16 -8.226 -1.403 -10.374 1.00 0.00 O ATOM 193 CB LYS A 16 -9.810 -2.051 -7.492 1.00 0.00 C ATOM 194 CG LYS A 16 -9.921 -3.182 -6.467 1.00 0.00 C ATOM 195 CD LYS A 16 -11.277 -3.883 -6.569 1.00 0.00 C ATOM 196 CE LYS A 16 -12.359 -3.095 -5.829 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.168 -2.303 -6.783 1.00 0.00 N ATOM 0 H LYS A 16 -7.904 -1.306 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.140 -2.941 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.095 -1.106 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.507 -2.228 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.121 -3.904 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.790 -2.781 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.555 -3.993 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.204 -4.887 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.003 -3.780 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.898 -2.432 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.898 -1.774 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.552 -1.636 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.623 -2.942 -7.466 1.00 0.00 H new ATOM 211 N ASP A 17 -8.166 0.300 -8.887 1.00 0.00 N ATOM 212 CA ASP A 17 -8.034 1.330 -9.903 1.00 0.00 C ATOM 213 C ASP A 17 -6.822 1.019 -10.783 1.00 0.00 C ATOM 214 O ASP A 17 -5.692 0.978 -10.299 1.00 0.00 O ATOM 215 CB ASP A 17 -7.817 2.705 -9.268 1.00 0.00 C ATOM 216 CG ASP A 17 -8.654 3.835 -9.871 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.413 4.148 -11.057 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.515 4.360 -9.133 1.00 0.00 O ATOM 0 H ASP A 17 -8.187 0.647 -7.928 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.952 1.345 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.040 2.636 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.763 2.967 -9.356 1.00 0.00 H new ATOM 223 N PRO A 18 -7.106 0.802 -12.096 1.00 0.00 N ATOM 224 CA PRO A 18 -6.052 0.496 -13.048 1.00 0.00 C ATOM 225 C PRO A 18 -5.245 1.749 -13.394 1.00 0.00 C ATOM 226 O PRO A 18 -4.275 1.679 -14.148 1.00 0.00 O ATOM 227 CB PRO A 18 -6.769 -0.099 -14.250 1.00 0.00 C ATOM 228 CG PRO A 18 -8.223 0.322 -14.118 1.00 0.00 C ATOM 229 CD PRO A 18 -8.432 0.842 -12.705 1.00 0.00 C ATOM 0 HA PRO A 18 -5.317 -0.205 -12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.339 0.268 -15.182 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.676 -1.185 -14.262 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.464 1.094 -14.848 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.884 -0.522 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.835 1.855 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.139 0.221 -12.155 1.00 0.00 H new ATOM 237 N GLU A 19 -5.674 2.866 -12.826 1.00 0.00 N ATOM 238 CA GLU A 19 -5.003 4.133 -13.064 1.00 0.00 C ATOM 239 C GLU A 19 -4.523 4.736 -11.743 1.00 0.00 C ATOM 240 O GLU A 19 -3.351 5.083 -11.604 1.00 0.00 O ATOM 241 CB GLU A 19 -5.918 5.106 -13.811 1.00 0.00 C ATOM 242 CG GLU A 19 -5.762 4.952 -15.326 1.00 0.00 C ATOM 243 CD GLU A 19 -6.032 6.277 -16.042 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.099 6.866 -15.763 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.165 6.671 -16.852 1.00 0.00 O ATOM 0 H GLU A 19 -6.478 2.920 -12.201 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.133 3.948 -13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.955 4.925 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.682 6.129 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.754 4.608 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.451 4.190 -15.691 1.00 0.00 H new ATOM 252 N LYS A 20 -5.453 4.843 -10.806 1.00 0.00 N ATOM 253 CA LYS A 20 -5.140 5.399 -9.500 1.00 0.00 C ATOM 254 C LYS A 20 -4.802 4.261 -8.534 1.00 0.00 C ATOM 255 O LYS A 20 -4.829 4.446 -7.318 1.00 0.00 O ATOM 256 CB LYS A 20 -6.276 6.301 -9.014 1.00 0.00 C ATOM 257 CG LYS A 20 -6.254 7.649 -9.738 1.00 0.00 C ATOM 258 CD LYS A 20 -5.644 8.737 -8.851 1.00 0.00 C ATOM 259 CE LYS A 20 -6.147 10.123 -9.259 1.00 0.00 C ATOM 260 NZ LYS A 20 -5.034 11.098 -9.263 1.00 0.00 N ATOM 0 H LYS A 20 -6.424 4.554 -10.925 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.260 6.039 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.234 5.809 -9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.185 6.460 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.679 7.562 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.268 7.931 -10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.898 8.546 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.557 8.704 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.600 10.075 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.924 10.452 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.393 12.033 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.620 11.156 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.306 10.791 -9.939 1.00 0.00 H new ATOM 274 N GLY A 21 -4.491 3.110 -9.112 1.00 0.00 N ATOM 275 CA GLY A 21 -4.149 1.943 -8.317 1.00 0.00 C ATOM 276 C GLY A 21 -2.963 1.193 -8.928 1.00 0.00 C ATOM 277 O GLY A 21 -2.130 1.789 -9.609 1.00 0.00 O ATOM 0 H GLY A 21 -4.469 2.961 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.905 2.250 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.010 1.278 -8.251 1.00 0.00 H new ATOM 281 N ILE A 22 -2.925 -0.105 -8.663 1.00 0.00 N ATOM 282 CA ILE A 22 -1.856 -0.943 -9.178 1.00 0.00 C ATOM 283 C ILE A 22 -2.118 -1.247 -10.655 1.00 0.00 C ATOM 284 O ILE A 22 -3.251 -1.142 -11.122 1.00 0.00 O ATOM 285 CB ILE A 22 -1.691 -2.194 -8.313 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.344 -2.185 -7.587 1.00 0.00 C ATOM 287 CG2 ILE A 22 -1.887 -3.464 -9.142 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.294 -3.269 -6.510 1.00 0.00 C ATOM 0 H ILE A 22 -3.618 -0.597 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.902 -0.418 -9.124 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.468 -2.186 -7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.461 -2.343 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.178 -1.208 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.764 -4.338 -8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.889 -3.467 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.148 -3.493 -9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.674 -3.240 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.085 -3.094 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.435 -4.247 -6.971 1.00 0.00 H new ATOM 300 N LYS A 23 -1.052 -1.619 -11.348 1.00 0.00 N ATOM 301 CA LYS A 23 -1.153 -1.939 -12.762 1.00 0.00 C ATOM 302 C LYS A 23 -1.715 -3.353 -12.921 1.00 0.00 C ATOM 303 O LYS A 23 -2.088 -3.991 -11.938 1.00 0.00 O ATOM 304 CB LYS A 23 0.195 -1.731 -13.456 1.00 0.00 C ATOM 305 CG LYS A 23 0.199 -0.434 -14.268 1.00 0.00 C ATOM 306 CD LYS A 23 0.200 -0.728 -15.769 1.00 0.00 C ATOM 307 CE LYS A 23 1.093 0.261 -16.521 1.00 0.00 C ATOM 308 NZ LYS A 23 0.415 0.746 -17.744 1.00 0.00 N ATOM 0 H LYS A 23 -0.114 -1.706 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.848 -1.261 -13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.991 -1.701 -12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.405 -2.576 -14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.676 0.163 -14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.076 0.159 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.550 -1.745 -15.944 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.818 -0.671 -16.155 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.337 1.104 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.035 -0.220 -16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.035 1.416 -18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.205 -0.060 -18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.472 1.223 -17.483 1.00 0.00 H new ATOM 322 N GLU A 24 -1.757 -3.801 -14.167 1.00 0.00 N ATOM 323 CA GLU A 24 -2.267 -5.128 -14.468 1.00 0.00 C ATOM 324 C GLU A 24 -1.635 -5.661 -15.755 1.00 0.00 C ATOM 325 O GLU A 24 -2.034 -5.275 -16.853 1.00 0.00 O ATOM 326 CB GLU A 24 -3.794 -5.119 -14.570 1.00 0.00 C ATOM 327 CG GLU A 24 -4.429 -4.702 -13.242 1.00 0.00 C ATOM 328 CD GLU A 24 -5.899 -5.123 -13.182 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.719 -4.412 -13.803 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.170 -6.146 -12.517 1.00 0.00 O ATOM 0 H GLU A 24 -1.446 -3.269 -14.980 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.994 -5.794 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.106 -4.433 -15.358 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.149 -6.110 -14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.883 -5.156 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.351 -3.622 -13.121 1.00 0.00 H new ATOM 337 N LEU A 25 -0.658 -6.539 -15.578 1.00 0.00 N ATOM 338 CA LEU A 25 0.033 -7.128 -16.712 1.00 0.00 C ATOM 339 C LEU A 25 -0.209 -8.639 -16.722 1.00 0.00 C ATOM 340 O LEU A 25 -0.742 -9.192 -15.762 1.00 0.00 O ATOM 341 CB LEU A 25 1.514 -6.742 -16.696 1.00 0.00 C ATOM 342 CG LEU A 25 1.832 -5.321 -16.228 1.00 0.00 C ATOM 343 CD1 LEU A 25 2.861 -5.333 -15.096 1.00 0.00 C ATOM 344 CD2 LEU A 25 2.279 -4.445 -17.400 1.00 0.00 C ATOM 0 H LEU A 25 -0.329 -6.856 -14.666 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.365 -6.735 -17.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.045 -7.443 -16.051 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.913 -6.870 -17.702 1.00 0.00 H new ATOM 0 HG LEU A 25 0.919 -4.881 -15.827 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.069 -4.310 -14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.467 -5.898 -14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.782 -5.799 -15.446 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.499 -3.440 -17.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.174 -4.872 -17.853 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.483 -4.398 -18.143 1.00 0.00 H new ATOM 356 N ASN A 26 0.195 -9.263 -17.819 1.00 0.00 N ATOM 357 CA ASN A 26 0.028 -10.699 -17.967 1.00 0.00 C ATOM 358 C ASN A 26 1.396 -11.378 -17.878 1.00 0.00 C ATOM 359 O ASN A 26 2.229 -11.225 -18.771 1.00 0.00 O ATOM 360 CB ASN A 26 -0.584 -11.045 -19.326 1.00 0.00 C ATOM 361 CG ASN A 26 0.196 -10.383 -20.463 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.388 -9.178 -20.500 1.00 0.00 O ATOM 363 ND2 ASN A 26 0.633 -11.234 -21.387 1.00 0.00 N ATOM 0 H ASN A 26 0.637 -8.801 -18.613 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.635 -11.045 -17.174 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.586 -12.126 -19.463 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.623 -10.718 -19.355 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.164 -10.890 -22.187 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.437 -12.231 -21.295 1.00 0.00 H new ATOM 370 N LEU A 27 1.586 -12.114 -16.793 1.00 0.00 N ATOM 371 CA LEU A 27 2.839 -12.817 -16.575 1.00 0.00 C ATOM 372 C LEU A 27 2.620 -14.317 -16.784 1.00 0.00 C ATOM 373 O LEU A 27 1.766 -14.919 -16.134 1.00 0.00 O ATOM 374 CB LEU A 27 3.420 -12.465 -15.205 1.00 0.00 C ATOM 375 CG LEU A 27 3.538 -10.973 -14.889 1.00 0.00 C ATOM 376 CD1 LEU A 27 3.454 -10.723 -13.382 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.811 -10.382 -15.498 1.00 0.00 C ATOM 0 H LEU A 27 0.893 -12.239 -16.055 1.00 0.00 H new ATOM 0 HA LEU A 27 3.586 -12.499 -17.303 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.800 -12.930 -14.439 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.411 -12.912 -15.127 1.00 0.00 H new ATOM 0 HG LEU A 27 2.693 -10.459 -15.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.541 -9.654 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.497 -11.085 -13.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.264 -11.251 -12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.870 -9.320 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.682 -10.895 -15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.789 -10.509 -16.580 1.00 0.00 H new ATOM 482 N VAL A 33 -0.919 -18.102 -18.767 1.00 0.00 N ATOM 483 CA VAL A 33 -0.886 -16.664 -18.968 1.00 0.00 C ATOM 484 C VAL A 33 -1.742 -15.983 -17.898 1.00 0.00 C ATOM 485 O VAL A 33 -2.919 -15.706 -18.123 1.00 0.00 O ATOM 486 CB VAL A 33 -1.330 -16.325 -20.393 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.335 -14.811 -20.620 1.00 0.00 C ATOM 488 CG2 VAL A 33 -0.447 -17.030 -21.425 1.00 0.00 C ATOM 0 HA VAL A 33 0.131 -16.287 -18.859 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.350 -16.687 -20.521 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.654 -14.597 -21.640 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.023 -14.340 -19.918 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.331 -14.416 -20.464 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.784 -16.772 -22.429 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.588 -16.712 -21.297 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.515 -18.109 -21.285 1.00 0.00 H new ATOM 498 N PHE A 34 -1.117 -15.734 -16.757 1.00 0.00 N ATOM 499 CA PHE A 34 -1.806 -15.091 -15.651 1.00 0.00 C ATOM 500 C PHE A 34 -2.071 -13.615 -15.954 1.00 0.00 C ATOM 501 O PHE A 34 -1.169 -12.785 -15.853 1.00 0.00 O ATOM 502 CB PHE A 34 -0.888 -15.192 -14.432 1.00 0.00 C ATOM 503 CG PHE A 34 -0.733 -16.613 -13.885 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.808 -17.260 -13.360 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.479 -17.229 -13.925 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.664 -18.579 -12.853 1.00 0.00 C ATOM 507 CE2 PHE A 34 0.622 -18.548 -13.418 1.00 0.00 C ATOM 508 CZ PHE A 34 -0.453 -19.195 -12.892 1.00 0.00 C ATOM 0 H PHE A 34 -0.141 -15.966 -16.574 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.766 -15.577 -15.478 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.096 -14.807 -14.698 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.278 -14.550 -13.642 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.771 -16.771 -13.329 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.332 -16.715 -14.342 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.518 -19.093 -12.436 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.584 -19.037 -13.450 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.344 -20.198 -12.506 1.00 0.00 H new ATOM 518 N ASN A 35 -3.313 -13.332 -16.319 1.00 0.00 N ATOM 519 CA ASN A 35 -3.708 -11.971 -16.637 1.00 0.00 C ATOM 520 C ASN A 35 -4.122 -11.251 -15.352 1.00 0.00 C ATOM 521 O ASN A 35 -4.360 -11.889 -14.328 1.00 0.00 O ATOM 522 CB ASN A 35 -4.902 -11.953 -17.595 1.00 0.00 C ATOM 523 CG ASN A 35 -4.536 -11.270 -18.914 1.00 0.00 C ATOM 524 OD1 ASN A 35 -4.262 -10.083 -18.973 1.00 0.00 O ATOM 525 ND2 ASN A 35 -4.547 -12.084 -19.966 1.00 0.00 N ATOM 0 H ASN A 35 -4.059 -14.023 -16.401 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.860 -11.475 -17.109 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.232 -12.973 -17.789 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.738 -11.430 -17.130 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.317 -11.724 -20.892 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.786 -13.068 -19.847 1.00 0.00 H new ATOM 532 N HIS A 36 -4.196 -9.932 -15.448 1.00 0.00 N ATOM 533 CA HIS A 36 -4.578 -9.118 -14.306 1.00 0.00 C ATOM 534 C HIS A 36 -3.877 -9.638 -13.049 1.00 0.00 C ATOM 535 O HIS A 36 -4.528 -9.928 -12.047 1.00 0.00 O ATOM 536 CB HIS A 36 -6.100 -9.068 -14.159 1.00 0.00 C ATOM 537 CG HIS A 36 -6.785 -8.178 -15.168 1.00 0.00 C ATOM 538 ND1 HIS A 36 -7.444 -7.013 -14.815 1.00 0.00 N ATOM 539 CD2 HIS A 36 -6.907 -8.295 -16.522 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.937 -6.462 -15.915 1.00 0.00 C ATOM 541 NE2 HIS A 36 -7.603 -7.258 -16.971 1.00 0.00 N ATOM 0 H HIS A 36 -3.998 -9.406 -16.299 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.253 -8.089 -14.462 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.497 -10.079 -14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.347 -8.720 -13.156 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.535 -6.642 -13.869 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.505 -9.095 -17.126 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.504 -5.544 -15.966 1.00 0.00 H new ATOM 549 N CYS A 37 -2.560 -9.740 -13.145 1.00 0.00 N ATOM 550 CA CYS A 37 -1.764 -10.220 -12.028 1.00 0.00 C ATOM 551 C CYS A 37 -0.839 -9.088 -11.575 1.00 0.00 C ATOM 552 O CYS A 37 -0.673 -8.097 -12.284 1.00 0.00 O ATOM 553 CB CYS A 37 -0.982 -11.484 -12.392 1.00 0.00 C ATOM 554 SG CYS A 37 -1.761 -12.947 -11.616 1.00 0.00 S ATOM 0 H CYS A 37 -2.024 -9.499 -13.979 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.421 -10.502 -11.205 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.957 -11.607 -13.475 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.051 -11.391 -12.057 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.945 -13.957 -11.679 1.00 0.00 H new ATOM 560 N LEU A 38 -0.263 -9.273 -10.397 1.00 0.00 N ATOM 561 CA LEU A 38 0.640 -8.280 -9.841 1.00 0.00 C ATOM 562 C LEU A 38 1.952 -8.957 -9.440 1.00 0.00 C ATOM 563 O LEU A 38 2.304 -10.006 -9.978 1.00 0.00 O ATOM 564 CB LEU A 38 -0.035 -7.521 -8.697 1.00 0.00 C ATOM 565 CG LEU A 38 -1.564 -7.461 -8.743 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.140 -7.120 -7.367 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.042 -6.489 -9.822 1.00 0.00 C ATOM 0 H LEU A 38 -0.404 -10.096 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 38 0.885 -7.527 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.263 -7.982 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.349 -6.501 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.937 -8.449 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.228 -7.083 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.841 -7.883 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.762 -6.150 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.132 -6.465 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.660 -5.491 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.676 -6.817 -10.795 1.00 0.00 H new ATOM 579 N THR A 39 2.640 -8.331 -8.496 1.00 0.00 N ATOM 580 CA THR A 39 3.905 -8.860 -8.016 1.00 0.00 C ATOM 581 C THR A 39 4.232 -8.290 -6.634 1.00 0.00 C ATOM 582 O THR A 39 4.073 -7.094 -6.399 1.00 0.00 O ATOM 583 CB THR A 39 4.975 -8.555 -9.067 1.00 0.00 C ATOM 584 OG1 THR A 39 4.646 -7.247 -9.528 1.00 0.00 O ATOM 585 CG2 THR A 39 4.839 -9.434 -10.312 1.00 0.00 C ATOM 0 H THR A 39 2.345 -7.462 -8.051 1.00 0.00 H new ATOM 0 HA THR A 39 3.856 -9.941 -7.884 1.00 0.00 H new ATOM 0 HB THR A 39 5.964 -8.695 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.291 -6.969 -10.212 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.622 -9.177 -11.026 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.935 -10.482 -10.029 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.863 -9.269 -10.769 1.00 0.00 H new ATOM 593 N GLY A 40 4.682 -9.175 -5.756 1.00 0.00 N ATOM 594 CA GLY A 40 5.032 -8.775 -4.404 1.00 0.00 C ATOM 595 C GLY A 40 6.085 -7.665 -4.416 1.00 0.00 C ATOM 596 O GLY A 40 6.168 -6.873 -3.478 1.00 0.00 O ATOM 0 H GLY A 40 4.812 -10.167 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.140 -8.430 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.412 -9.635 -3.853 1.00 0.00 H new ATOM 600 N SER A 41 6.863 -7.643 -5.487 1.00 0.00 N ATOM 601 CA SER A 41 7.908 -6.643 -5.634 1.00 0.00 C ATOM 602 C SER A 41 7.320 -5.352 -6.207 1.00 0.00 C ATOM 603 O SER A 41 7.669 -4.258 -5.767 1.00 0.00 O ATOM 604 CB SER A 41 9.038 -7.154 -6.528 1.00 0.00 C ATOM 605 OG SER A 41 10.017 -6.149 -6.779 1.00 0.00 O ATOM 0 H SER A 41 6.791 -8.302 -6.262 1.00 0.00 H new ATOM 0 HA SER A 41 8.326 -6.438 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.514 -8.013 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.623 -7.500 -7.475 1.00 0.00 H new ATOM 0 HG SER A 41 10.722 -6.515 -7.352 1.00 0.00 H new ATOM 611 N GLY A 42 6.436 -5.522 -7.179 1.00 0.00 N ATOM 612 CA GLY A 42 5.796 -4.384 -7.817 1.00 0.00 C ATOM 613 C GLY A 42 4.773 -3.736 -6.882 1.00 0.00 C ATOM 614 O GLY A 42 4.714 -2.512 -6.773 1.00 0.00 O ATOM 0 H GLY A 42 6.148 -6.431 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.550 -3.650 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.303 -4.706 -8.734 1.00 0.00 H new ATOM 618 N VAL A 43 3.992 -4.586 -6.231 1.00 0.00 N ATOM 619 CA VAL A 43 2.974 -4.111 -5.309 1.00 0.00 C ATOM 620 C VAL A 43 3.606 -3.131 -4.319 1.00 0.00 C ATOM 621 O VAL A 43 3.149 -1.997 -4.184 1.00 0.00 O ATOM 622 CB VAL A 43 2.293 -5.298 -4.624 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.730 -6.277 -5.656 1.00 0.00 C ATOM 624 CG2 VAL A 43 3.256 -6.004 -3.667 1.00 0.00 C ATOM 0 H VAL A 43 4.044 -5.600 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 43 2.194 -3.572 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 43 1.459 -4.913 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.251 -7.111 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.997 -5.766 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.540 -6.652 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.748 -6.844 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.119 -6.370 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.588 -5.302 -2.902 1.00 0.00 H new ATOM 634 N ILE A 44 4.647 -3.605 -3.650 1.00 0.00 N ATOM 635 CA ILE A 44 5.347 -2.784 -2.676 1.00 0.00 C ATOM 636 C ILE A 44 5.793 -1.480 -3.340 1.00 0.00 C ATOM 637 O ILE A 44 5.754 -0.419 -2.719 1.00 0.00 O ATOM 638 CB ILE A 44 6.492 -3.572 -2.036 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.975 -4.846 -1.366 1.00 0.00 C ATOM 640 CG2 ILE A 44 7.286 -2.695 -1.065 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.133 -5.722 -0.884 1.00 0.00 C ATOM 0 H ILE A 44 5.023 -4.547 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 44 4.681 -2.513 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 44 7.177 -3.880 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.337 -4.584 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.359 -5.406 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.094 -3.279 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.705 -1.844 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.625 -2.336 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.737 -6.621 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.755 -6.003 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.733 -5.167 -0.163 1.00 0.00 H new ATOM 653 N ASP A 45 6.206 -1.602 -4.593 1.00 0.00 N ATOM 654 CA ASP A 45 6.659 -0.446 -5.348 1.00 0.00 C ATOM 655 C ASP A 45 5.519 0.569 -5.450 1.00 0.00 C ATOM 656 O ASP A 45 5.745 1.774 -5.347 1.00 0.00 O ATOM 657 CB ASP A 45 7.069 -0.842 -6.767 1.00 0.00 C ATOM 658 CG ASP A 45 7.967 0.167 -7.486 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.908 0.660 -6.827 1.00 0.00 O ATOM 660 OD2 ASP A 45 7.693 0.423 -8.678 1.00 0.00 O ATOM 0 H ASP A 45 6.236 -2.484 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 45 7.518 -0.020 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.586 -1.801 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.167 -0.991 -7.361 1.00 0.00 H new ATOM 665 N TRP A 46 4.319 0.045 -5.652 1.00 0.00 N ATOM 666 CA TRP A 46 3.143 0.890 -5.770 1.00 0.00 C ATOM 667 C TRP A 46 2.881 1.528 -4.404 1.00 0.00 C ATOM 668 O TRP A 46 2.495 2.693 -4.323 1.00 0.00 O ATOM 669 CB TRP A 46 1.947 0.096 -6.298 1.00 0.00 C ATOM 670 CG TRP A 46 0.644 0.896 -6.354 1.00 0.00 C ATOM 671 CD1 TRP A 46 0.157 1.608 -7.379 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.324 1.036 -5.293 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.050 2.196 -7.057 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.352 1.836 -5.749 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.332 0.504 -3.992 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.462 2.177 -4.968 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.449 0.854 -3.223 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.491 1.658 -3.667 1.00 0.00 C ATOM 0 H TRP A 46 4.136 -0.955 -5.737 1.00 0.00 H new ATOM 0 HA TRP A 46 3.310 1.683 -6.499 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.180 -0.270 -7.298 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.797 -0.779 -5.665 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.647 1.709 -8.336 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.616 2.786 -7.667 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.461 -0.125 -3.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.253 2.806 -5.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.504 0.472 -2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.320 1.882 -3.012 1.00 0.00 H new ATOM 689 N LEU A 47 3.101 0.736 -3.365 1.00 0.00 N ATOM 690 CA LEU A 47 2.893 1.209 -2.007 1.00 0.00 C ATOM 691 C LEU A 47 3.731 2.468 -1.776 1.00 0.00 C ATOM 692 O LEU A 47 3.291 3.395 -1.098 1.00 0.00 O ATOM 693 CB LEU A 47 3.173 0.090 -1.001 1.00 0.00 C ATOM 694 CG LEU A 47 2.146 -1.043 -0.955 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.518 -2.077 0.110 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.733 -0.493 -0.751 1.00 0.00 C ATOM 0 H LEU A 47 3.421 -0.230 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 47 1.850 1.488 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.149 -0.340 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.242 0.531 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 47 2.157 -1.554 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.772 -2.872 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.496 -2.501 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.552 -1.596 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.022 -1.319 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.689 0.057 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.480 0.175 -1.575 1.00 0.00 H new ATOM 708 N VAL A 48 4.924 2.460 -2.352 1.00 0.00 N ATOM 709 CA VAL A 48 5.827 3.590 -2.218 1.00 0.00 C ATOM 710 C VAL A 48 5.501 4.630 -3.292 1.00 0.00 C ATOM 711 O VAL A 48 5.512 5.830 -3.023 1.00 0.00 O ATOM 712 CB VAL A 48 7.279 3.109 -2.274 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.241 4.286 -2.445 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.632 2.288 -1.032 1.00 0.00 C ATOM 0 H VAL A 48 5.286 1.689 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 48 5.694 4.071 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 48 7.384 2.462 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.266 3.916 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.012 4.812 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.132 4.970 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.669 1.958 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.501 2.902 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.978 1.418 -0.973 1.00 0.00 H new ATOM 724 N SER A 49 5.218 4.131 -4.486 1.00 0.00 N ATOM 725 CA SER A 49 4.888 5.002 -5.602 1.00 0.00 C ATOM 726 C SER A 49 3.833 6.023 -5.174 1.00 0.00 C ATOM 727 O SER A 49 3.974 7.216 -5.441 1.00 0.00 O ATOM 728 CB SER A 49 4.390 4.194 -6.802 1.00 0.00 C ATOM 729 OG SER A 49 4.905 4.696 -8.033 1.00 0.00 O ATOM 0 H SER A 49 5.210 3.135 -4.705 1.00 0.00 H new ATOM 0 HA SER A 49 5.793 5.530 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.684 3.151 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.301 4.217 -6.828 1.00 0.00 H new ATOM 0 HG SER A 49 4.566 4.153 -8.775 1.00 0.00 H new ATOM 735 N ASN A 50 2.798 5.518 -4.518 1.00 0.00 N ATOM 736 CA ASN A 50 1.719 6.372 -4.051 1.00 0.00 C ATOM 737 C ASN A 50 2.133 7.037 -2.737 1.00 0.00 C ATOM 738 O ASN A 50 1.596 8.081 -2.369 1.00 0.00 O ATOM 739 CB ASN A 50 0.448 5.561 -3.792 1.00 0.00 C ATOM 740 CG ASN A 50 -0.402 5.454 -5.059 1.00 0.00 C ATOM 741 OD1 ASN A 50 -0.121 4.393 -5.811 1.00 0.00 O flip ATOM 742 ND2 ASN A 50 -1.257 6.279 -5.336 1.00 0.00 N flip ATOM 0 H ASN A 50 2.684 4.528 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 50 1.520 7.117 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.714 4.563 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.133 6.032 -2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.422 7.071 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.807 6.177 -6.189 1.00 0.00 H new ATOM 749 N LYS A 51 3.084 6.405 -2.065 1.00 0.00 N ATOM 750 CA LYS A 51 3.575 6.921 -0.799 1.00 0.00 C ATOM 751 C LYS A 51 2.659 6.448 0.331 1.00 0.00 C ATOM 752 O LYS A 51 1.994 7.257 0.976 1.00 0.00 O ATOM 753 CB LYS A 51 3.733 8.442 -0.866 1.00 0.00 C ATOM 754 CG LYS A 51 4.407 8.866 -2.173 1.00 0.00 C ATOM 755 CD LYS A 51 5.897 9.140 -1.958 1.00 0.00 C ATOM 756 CE LYS A 51 6.682 8.951 -3.258 1.00 0.00 C ATOM 757 NZ LYS A 51 7.927 9.750 -3.232 1.00 0.00 N ATOM 0 H LYS A 51 3.528 5.540 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 51 4.570 6.528 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.755 8.917 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.325 8.787 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.282 8.083 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.922 9.761 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.034 10.157 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.287 8.469 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.922 7.897 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.068 9.251 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.448 9.610 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.691 10.757 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.519 9.445 -2.433 1.00 0.00 H new ATOM 771 N LEU A 52 2.653 5.139 0.536 1.00 0.00 N ATOM 772 CA LEU A 52 1.829 4.548 1.577 1.00 0.00 C ATOM 773 C LEU A 52 2.713 4.171 2.768 1.00 0.00 C ATOM 774 O LEU A 52 2.239 4.109 3.901 1.00 0.00 O ATOM 775 CB LEU A 52 1.018 3.377 1.018 1.00 0.00 C ATOM 776 CG LEU A 52 -0.309 3.740 0.348 1.00 0.00 C ATOM 777 CD1 LEU A 52 -1.087 2.482 -0.045 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.135 4.671 1.237 1.00 0.00 C ATOM 0 H LEU A 52 3.206 4.471 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 52 1.096 5.269 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.635 2.847 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.813 2.681 1.832 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.090 4.283 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.026 2.768 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.494 1.890 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.296 1.890 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.073 4.914 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.346 4.176 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.575 5.588 1.423 1.00 0.00 H new ATOM 790 N VAL A 53 3.981 3.929 2.470 1.00 0.00 N ATOM 791 CA VAL A 53 4.935 3.560 3.502 1.00 0.00 C ATOM 792 C VAL A 53 6.157 4.476 3.412 1.00 0.00 C ATOM 793 O VAL A 53 6.217 5.355 2.553 1.00 0.00 O ATOM 794 CB VAL A 53 5.289 2.077 3.380 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.097 1.195 3.759 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.790 1.746 1.973 1.00 0.00 C ATOM 0 H VAL A 53 4.370 3.981 1.529 1.00 0.00 H new ATOM 0 HA VAL A 53 4.499 3.696 4.492 1.00 0.00 H new ATOM 0 HB VAL A 53 6.097 1.868 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.376 0.146 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.805 1.401 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.260 1.410 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.035 0.685 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.013 1.980 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.680 2.336 1.756 1.00 0.00 H new ATOM 806 N ARG A 54 7.101 4.239 4.311 1.00 0.00 N ATOM 807 CA ARG A 54 8.318 5.032 4.344 1.00 0.00 C ATOM 808 C ARG A 54 9.346 4.469 3.360 1.00 0.00 C ATOM 809 O ARG A 54 10.159 5.212 2.813 1.00 0.00 O ATOM 810 CB ARG A 54 8.925 5.052 5.748 1.00 0.00 C ATOM 811 CG ARG A 54 8.075 5.895 6.701 1.00 0.00 C ATOM 812 CD ARG A 54 8.779 7.209 7.047 1.00 0.00 C ATOM 813 NE ARG A 54 7.781 8.286 7.229 1.00 0.00 N ATOM 814 CZ ARG A 54 8.087 9.543 7.579 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.365 9.888 7.785 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.115 10.454 7.721 1.00 0.00 N ATOM 0 H ARG A 54 7.048 3.509 5.022 1.00 0.00 H new ATOM 0 HA ARG A 54 8.057 6.051 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.003 4.034 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.937 5.455 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.109 6.106 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.879 5.332 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.365 7.088 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.475 7.478 6.253 1.00 0.00 H new ATOM 0 HE ARG A 54 6.798 8.057 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.105 9.194 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.598 10.845 8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.142 10.191 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.348 11.411 7.987 1.00 0.00 H new ATOM 830 N ASN A 55 9.275 3.160 3.165 1.00 0.00 N ATOM 831 CA ASN A 55 10.189 2.489 2.257 1.00 0.00 C ATOM 832 C ASN A 55 9.604 1.131 1.863 1.00 0.00 C ATOM 833 O ASN A 55 8.717 0.613 2.540 1.00 0.00 O ATOM 834 CB ASN A 55 11.546 2.244 2.921 1.00 0.00 C ATOM 835 CG ASN A 55 11.373 1.820 4.381 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.455 0.653 4.729 1.00 0.00 O ATOM 837 ND2 ASN A 55 11.129 2.828 5.212 1.00 0.00 N ATOM 0 H ASN A 55 8.599 2.547 3.620 1.00 0.00 H new ATOM 0 HA ASN A 55 10.325 3.127 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.087 1.471 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.149 3.151 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.998 2.648 6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.073 3.782 4.854 1.00 0.00 H new ATOM 844 N ARG A 56 10.124 0.594 0.769 1.00 0.00 N ATOM 845 CA ARG A 56 9.664 -0.694 0.277 1.00 0.00 C ATOM 846 C ARG A 56 9.489 -1.674 1.438 1.00 0.00 C ATOM 847 O ARG A 56 8.464 -2.347 1.538 1.00 0.00 O ATOM 848 CB ARG A 56 10.651 -1.282 -0.734 1.00 0.00 C ATOM 849 CG ARG A 56 10.429 -0.688 -2.126 1.00 0.00 C ATOM 850 CD ARG A 56 9.851 -1.733 -3.083 1.00 0.00 C ATOM 851 NE ARG A 56 10.768 -2.890 -3.181 1.00 0.00 N ATOM 852 CZ ARG A 56 10.820 -3.720 -4.232 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.008 -3.526 -5.280 1.00 0.00 N ATOM 854 NH2 ARG A 56 11.683 -4.745 -4.235 1.00 0.00 N ATOM 0 H ARG A 56 10.859 1.027 0.210 1.00 0.00 H new ATOM 0 HA ARG A 56 8.705 -0.537 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.672 -1.083 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.534 -2.365 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.751 0.163 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.373 -0.312 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.874 -2.062 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.701 -1.292 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 56 11.400 -3.067 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.350 -2.747 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.048 -4.158 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.301 -4.894 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.722 -5.376 -5.035 1.00 0.00 H new ATOM 868 N GLN A 57 10.505 -1.724 2.287 1.00 0.00 N ATOM 869 CA GLN A 57 10.476 -2.611 3.437 1.00 0.00 C ATOM 870 C GLN A 57 9.100 -2.571 4.104 1.00 0.00 C ATOM 871 O GLN A 57 8.395 -3.578 4.142 1.00 0.00 O ATOM 872 CB GLN A 57 11.580 -2.252 4.435 1.00 0.00 C ATOM 873 CG GLN A 57 12.157 -3.508 5.090 1.00 0.00 C ATOM 874 CD GLN A 57 11.258 -3.996 6.228 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.624 -5.035 6.150 1.00 0.00 O ATOM 876 NE2 GLN A 57 11.239 -3.190 7.285 1.00 0.00 N ATOM 0 H GLN A 57 11.353 -1.164 2.201 1.00 0.00 H new ATOM 0 HA GLN A 57 10.661 -3.628 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.374 -1.707 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.180 -1.589 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.264 -4.295 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.154 -3.296 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.794 -2.335 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.669 -3.427 8.097 1.00 0.00 H new ATOM 885 N GLU A 58 8.759 -1.396 4.614 1.00 0.00 N ATOM 886 CA GLU A 58 7.479 -1.212 5.277 1.00 0.00 C ATOM 887 C GLU A 58 6.357 -1.845 4.453 1.00 0.00 C ATOM 888 O GLU A 58 5.534 -2.588 4.985 1.00 0.00 O ATOM 889 CB GLU A 58 7.203 0.271 5.532 1.00 0.00 C ATOM 890 CG GLU A 58 7.711 0.695 6.912 1.00 0.00 C ATOM 891 CD GLU A 58 8.986 -0.065 7.283 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.895 -0.101 6.426 1.00 0.00 O ATOM 893 OE2 GLU A 58 9.022 -0.592 8.416 1.00 0.00 O ATOM 0 H GLU A 58 9.346 -0.563 4.581 1.00 0.00 H new ATOM 0 HA GLU A 58 7.518 -1.713 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.687 0.872 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.132 0.463 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.908 1.767 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.941 0.508 7.660 1.00 0.00 H new ATOM 900 N GLY A 59 6.360 -1.528 3.166 1.00 0.00 N ATOM 901 CA GLY A 59 5.353 -2.057 2.262 1.00 0.00 C ATOM 902 C GLY A 59 5.270 -3.581 2.366 1.00 0.00 C ATOM 903 O GLY A 59 4.178 -4.149 2.357 1.00 0.00 O ATOM 0 H GLY A 59 7.044 -0.911 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.383 -1.619 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.592 -1.771 1.238 1.00 0.00 H new ATOM 907 N LEU A 60 6.437 -4.200 2.461 1.00 0.00 N ATOM 908 CA LEU A 60 6.510 -5.648 2.566 1.00 0.00 C ATOM 909 C LEU A 60 5.658 -6.113 3.748 1.00 0.00 C ATOM 910 O LEU A 60 4.748 -6.924 3.582 1.00 0.00 O ATOM 911 CB LEU A 60 7.967 -6.107 2.640 1.00 0.00 C ATOM 912 CG LEU A 60 8.194 -7.620 2.649 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.360 -8.141 4.078 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.075 -8.347 1.900 1.00 0.00 C ATOM 0 H LEU A 60 7.340 -3.726 2.468 1.00 0.00 H new ATOM 0 HA LEU A 60 6.098 -6.116 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.504 -5.684 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.414 -5.687 3.541 1.00 0.00 H new ATOM 0 HG LEU A 60 9.124 -7.829 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.520 -9.219 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.218 -7.656 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.461 -7.919 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.261 -9.421 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.119 -8.134 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.047 -8.004 0.866 1.00 0.00 H new ATOM 926 N MET A 61 5.983 -5.579 4.917 1.00 0.00 N ATOM 927 CA MET A 61 5.258 -5.929 6.127 1.00 0.00 C ATOM 928 C MET A 61 3.761 -5.662 5.966 1.00 0.00 C ATOM 929 O MET A 61 2.937 -6.521 6.276 1.00 0.00 O ATOM 930 CB MET A 61 5.800 -5.110 7.301 1.00 0.00 C ATOM 931 CG MET A 61 7.325 -5.205 7.378 1.00 0.00 C ATOM 932 SD MET A 61 7.884 -4.733 9.006 1.00 0.00 S ATOM 933 CE MET A 61 7.212 -3.082 9.098 1.00 0.00 C ATOM 0 H MET A 61 6.738 -4.907 5.052 1.00 0.00 H new ATOM 0 HA MET A 61 5.399 -6.993 6.318 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.502 -4.067 7.190 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.362 -5.469 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.646 -6.223 7.155 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.776 -4.557 6.627 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.878 -2.450 9.686 1.00 0.00 H new ATOM 0 HE2 MET A 61 7.116 -2.672 8.093 1.00 0.00 H new ATOM 0 HE3 MET A 61 6.231 -3.114 9.572 1.00 0.00 H new ATOM 943 N ILE A 62 3.453 -4.468 5.481 1.00 0.00 N ATOM 944 CA ILE A 62 2.069 -4.077 5.276 1.00 0.00 C ATOM 945 C ILE A 62 1.414 -5.040 4.283 1.00 0.00 C ATOM 946 O ILE A 62 0.343 -5.582 4.553 1.00 0.00 O ATOM 947 CB ILE A 62 1.984 -2.608 4.855 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.685 -1.705 5.871 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.531 -2.188 4.622 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.913 -1.662 7.192 1.00 0.00 C ATOM 0 H ILE A 62 4.139 -3.758 5.224 1.00 0.00 H new ATOM 0 HA ILE A 62 1.510 -4.150 6.209 1.00 0.00 H new ATOM 0 HB ILE A 62 2.509 -2.494 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.697 -2.069 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.775 -0.697 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.499 -1.140 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.096 -2.803 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.038 -2.321 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.433 -1.013 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.910 -1.275 7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.846 -2.668 7.607 1.00 0.00 H new ATOM 962 N SER A 63 2.084 -5.223 3.155 1.00 0.00 N ATOM 963 CA SER A 63 1.581 -6.111 2.121 1.00 0.00 C ATOM 964 C SER A 63 0.976 -7.365 2.757 1.00 0.00 C ATOM 965 O SER A 63 -0.163 -7.725 2.464 1.00 0.00 O ATOM 966 CB SER A 63 2.688 -6.497 1.139 1.00 0.00 C ATOM 967 OG SER A 63 3.124 -5.384 0.362 1.00 0.00 O ATOM 0 H SER A 63 2.971 -4.771 2.934 1.00 0.00 H new ATOM 0 HA SER A 63 0.807 -5.583 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.534 -6.908 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.327 -7.283 0.476 1.00 0.00 H new ATOM 0 HG SER A 63 3.420 -4.665 0.958 1.00 0.00 H new ATOM 973 N ALA A 64 1.765 -7.994 3.615 1.00 0.00 N ATOM 974 CA ALA A 64 1.321 -9.199 4.295 1.00 0.00 C ATOM 975 C ALA A 64 -0.103 -8.992 4.813 1.00 0.00 C ATOM 976 O ALA A 64 -0.974 -9.835 4.600 1.00 0.00 O ATOM 977 CB ALA A 64 2.304 -9.545 5.415 1.00 0.00 C ATOM 0 H ALA A 64 2.709 -7.692 3.855 1.00 0.00 H new ATOM 0 HA ALA A 64 1.302 -10.043 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.971 -10.449 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.294 -9.711 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.348 -8.721 6.128 1.00 0.00 H new ATOM 983 N SER A 65 -0.297 -7.866 5.484 1.00 0.00 N ATOM 984 CA SER A 65 -1.601 -7.538 6.034 1.00 0.00 C ATOM 985 C SER A 65 -2.671 -7.647 4.946 1.00 0.00 C ATOM 986 O SER A 65 -3.764 -8.154 5.194 1.00 0.00 O ATOM 987 CB SER A 65 -1.604 -6.134 6.643 1.00 0.00 C ATOM 988 OG SER A 65 -2.426 -6.058 7.805 1.00 0.00 O ATOM 0 H SER A 65 0.427 -7.169 5.659 1.00 0.00 H new ATOM 0 HA SER A 65 -1.826 -8.250 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.584 -5.849 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.958 -5.418 5.901 1.00 0.00 H new ATOM 0 HG SER A 65 -2.400 -5.147 8.165 1.00 0.00 H new ATOM 994 N LEU A 66 -2.319 -7.164 3.764 1.00 0.00 N ATOM 995 CA LEU A 66 -3.235 -7.201 2.637 1.00 0.00 C ATOM 996 C LEU A 66 -3.517 -8.657 2.262 1.00 0.00 C ATOM 997 O LEU A 66 -4.670 -9.086 2.246 1.00 0.00 O ATOM 998 CB LEU A 66 -2.694 -6.361 1.478 1.00 0.00 C ATOM 999 CG LEU A 66 -2.727 -4.844 1.676 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.137 -4.293 1.456 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -2.168 -4.458 3.047 1.00 0.00 C ATOM 0 H LEU A 66 -1.411 -6.745 3.562 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.190 -6.750 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.663 -6.660 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.266 -6.603 0.582 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.082 -4.387 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.133 -3.213 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.462 -4.520 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.823 -4.753 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.203 -3.375 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.767 -4.925 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.136 -4.799 3.128 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.444 -9.378 1.969 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.561 -10.777 1.596 1.00 0.00 C ATOM 1015 C LEU A 67 -3.314 -11.532 2.693 1.00 0.00 C ATOM 1016 O LEU A 67 -4.380 -12.094 2.446 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.185 -11.364 1.278 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.114 -12.889 1.174 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.712 -13.512 2.512 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -2.429 -13.464 0.646 1.00 0.00 C ATOM 0 H LEU A 67 -1.489 -9.019 1.983 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.144 -10.880 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.840 -10.939 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.486 -11.039 2.049 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.338 -13.146 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.669 -14.596 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.267 -13.136 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.447 -13.248 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.352 -14.549 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.241 -13.197 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.633 -13.056 -0.344 1.00 0.00 H new ATOM 1032 N SER A 68 -2.730 -11.521 3.882 1.00 0.00 N ATOM 1033 CA SER A 68 -3.332 -12.197 5.018 1.00 0.00 C ATOM 1034 C SER A 68 -4.852 -12.029 4.983 1.00 0.00 C ATOM 1035 O SER A 68 -5.586 -13.008 4.863 1.00 0.00 O ATOM 1036 CB SER A 68 -2.770 -11.665 6.338 1.00 0.00 C ATOM 1037 OG SER A 68 -2.839 -12.636 7.378 1.00 0.00 O ATOM 0 H SER A 68 -1.846 -11.054 4.083 1.00 0.00 H new ATOM 0 HA SER A 68 -3.088 -13.257 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.733 -11.361 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.325 -10.775 6.636 1.00 0.00 H new ATOM 0 HG SER A 68 -2.469 -12.258 8.203 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.279 -10.779 5.088 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.699 -10.469 5.069 1.00 0.00 C ATOM 1045 C GLU A 69 -7.401 -11.264 3.967 1.00 0.00 C ATOM 1046 O GLU A 69 -8.510 -11.760 4.164 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.930 -8.967 4.894 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.844 -8.239 6.237 1.00 0.00 C ATOM 1049 CD GLU A 69 -8.156 -8.365 7.014 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -9.202 -8.025 6.420 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -8.083 -8.797 8.185 1.00 0.00 O ATOM 0 H GLU A 69 -4.667 -9.969 5.186 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.127 -10.759 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.189 -8.559 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.909 -8.796 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.026 -8.653 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.616 -7.186 6.070 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.727 -11.361 2.830 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.272 -12.087 1.696 1.00 0.00 C ATOM 1060 C GLY A 70 -7.553 -11.144 0.525 1.00 0.00 C ATOM 1061 O GLY A 70 -8.481 -11.370 -0.250 1.00 0.00 O ATOM 0 H GLY A 70 -5.808 -10.948 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.571 -12.861 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.192 -12.591 1.991 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.734 -10.107 0.432 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.883 -9.129 -0.632 1.00 0.00 C ATOM 1067 C TYR A 71 -6.058 -9.523 -1.859 1.00 0.00 C ATOM 1068 O TYR A 71 -6.292 -9.019 -2.956 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.342 -7.811 -0.072 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.319 -7.081 0.853 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.523 -6.620 0.359 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.996 -6.883 2.180 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.442 -5.933 1.229 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.915 -6.196 3.050 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.093 -5.755 2.531 1.00 0.00 C ATOM 1076 OH TYR A 71 -9.961 -5.106 3.353 1.00 0.00 O ATOM 0 H TYR A 71 -5.965 -9.923 1.076 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.925 -9.056 -0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.421 -8.011 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.084 -7.154 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.775 -6.775 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.054 -7.243 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.387 -5.567 0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.675 -6.034 4.090 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.580 -5.053 4.254 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.111 -10.422 -1.631 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.251 -10.890 -2.705 1.00 0.00 C ATOM 1088 C LEU A 72 -4.300 -12.418 -2.762 1.00 0.00 C ATOM 1089 O LEU A 72 -4.039 -13.089 -1.765 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.838 -10.326 -2.544 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.706 -8.805 -2.652 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.327 -8.293 -3.954 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.300 -8.114 -1.423 1.00 0.00 C ATOM 0 H LEU A 72 -4.921 -10.838 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.608 -10.523 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.453 -10.636 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.198 -10.781 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.645 -8.555 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.220 -7.210 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.819 -8.749 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.385 -8.555 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.193 -7.034 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.357 -8.368 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.774 -8.447 -0.528 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.637 -12.924 -3.940 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.724 -14.360 -4.140 1.00 0.00 C ATOM 1107 C GLN A 73 -3.402 -14.900 -4.691 1.00 0.00 C ATOM 1108 O GLN A 73 -2.905 -14.416 -5.706 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.889 -14.715 -5.066 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.225 -14.281 -4.457 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.766 -15.349 -3.504 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -8.216 -16.408 -3.909 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.697 -15.013 -2.220 1.00 0.00 N ATOM 0 H GLN A 73 -4.853 -12.365 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.913 -14.831 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.751 -14.230 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.900 -15.790 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.096 -13.341 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.948 -14.097 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.308 -14.110 -1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.033 -15.659 -1.505 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.858 -15.922 -3.978 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.603 -16.533 -4.385 1.00 0.00 C ATOM 1124 C PRO A 74 -1.805 -17.442 -5.599 1.00 0.00 C ATOM 1125 O PRO A 74 -2.573 -18.401 -5.541 1.00 0.00 O ATOM 1126 CB PRO A 74 -1.115 -17.283 -3.156 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.330 -17.450 -2.259 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.419 -16.521 -2.770 1.00 0.00 C ATOM 0 HA PRO A 74 -0.863 -15.801 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.696 -18.251 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.327 -16.728 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.674 -18.484 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.078 -17.210 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.336 -17.068 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.670 -15.760 -2.031 1.00 0.00 H new ATOM 1136 N ALA A 75 -1.101 -17.108 -6.671 1.00 0.00 N ATOM 1137 CA ALA A 75 -1.193 -17.882 -7.897 1.00 0.00 C ATOM 1138 C ALA A 75 0.140 -18.589 -8.149 1.00 0.00 C ATOM 1139 O ALA A 75 1.203 -18.037 -7.869 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.592 -16.962 -9.053 1.00 0.00 C ATOM 0 H ALA A 75 -0.465 -16.312 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.963 -18.649 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.661 -17.543 -9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.559 -16.506 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.841 -16.181 -9.172 1.00 0.00 H new ATOM 1146 N GLY A 76 0.040 -19.801 -8.675 1.00 0.00 N ATOM 1147 CA GLY A 76 1.224 -20.590 -8.968 1.00 0.00 C ATOM 1148 C GLY A 76 1.493 -21.608 -7.858 1.00 0.00 C ATOM 1149 O GLY A 76 0.623 -22.410 -7.521 1.00 0.00 O ATOM 0 H GLY A 76 -0.843 -20.256 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.094 -21.108 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.086 -19.932 -9.079 1.00 0.00 H new ATOM 1153 N ASP A 77 2.702 -21.544 -7.320 1.00 0.00 N ATOM 1154 CA ASP A 77 3.097 -22.450 -6.255 1.00 0.00 C ATOM 1155 C ASP A 77 3.905 -21.680 -5.209 1.00 0.00 C ATOM 1156 O ASP A 77 3.644 -21.790 -4.013 1.00 0.00 O ATOM 1157 CB ASP A 77 3.975 -23.582 -6.792 1.00 0.00 C ATOM 1158 CG ASP A 77 3.461 -24.993 -6.500 1.00 0.00 C ATOM 1159 OD1 ASP A 77 2.267 -25.233 -6.784 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.273 -25.801 -5.999 1.00 0.00 O ATOM 0 H ASP A 77 3.421 -20.878 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 77 2.192 -22.872 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.074 -23.464 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.973 -23.480 -6.367 1.00 0.00 H new ATOM 1165 N LEU A 78 4.872 -20.918 -5.699 1.00 0.00 N ATOM 1166 CA LEU A 78 5.721 -20.129 -4.822 1.00 0.00 C ATOM 1167 C LEU A 78 4.845 -19.346 -3.841 1.00 0.00 C ATOM 1168 O LEU A 78 4.744 -19.707 -2.670 1.00 0.00 O ATOM 1169 CB LEU A 78 6.666 -19.248 -5.641 1.00 0.00 C ATOM 1170 CG LEU A 78 7.666 -18.412 -4.840 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.104 -18.840 -5.141 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.450 -16.917 -5.083 1.00 0.00 C ATOM 0 H LEU A 78 5.087 -20.830 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 78 6.364 -20.779 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.223 -19.886 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.065 -18.574 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 78 7.491 -18.594 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.795 -18.230 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.234 -19.889 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.309 -18.706 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.174 -16.346 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.581 -16.698 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.441 -16.641 -4.778 1.00 0.00 H new ATOM 1184 N SER A 79 4.235 -18.289 -4.356 1.00 0.00 N ATOM 1185 CA SER A 79 3.372 -17.452 -3.541 1.00 0.00 C ATOM 1186 C SER A 79 2.501 -18.325 -2.635 1.00 0.00 C ATOM 1187 O SER A 79 2.272 -17.986 -1.475 1.00 0.00 O ATOM 1188 CB SER A 79 2.495 -16.551 -4.412 1.00 0.00 C ATOM 1189 OG SER A 79 3.270 -15.741 -5.292 1.00 0.00 O ATOM 0 H SER A 79 4.321 -17.993 -5.328 1.00 0.00 H new ATOM 0 HA SER A 79 4.001 -16.812 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.810 -17.166 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.885 -15.912 -3.773 1.00 0.00 H new ATOM 0 HG SER A 79 2.797 -14.901 -5.465 1.00 0.00 H new ATOM 1195 N LYS A 80 2.040 -19.431 -3.199 1.00 0.00 N ATOM 1196 CA LYS A 80 1.199 -20.355 -2.456 1.00 0.00 C ATOM 1197 C LYS A 80 1.960 -20.854 -1.226 1.00 0.00 C ATOM 1198 O LYS A 80 1.422 -20.860 -0.120 1.00 0.00 O ATOM 1199 CB LYS A 80 0.701 -21.478 -3.368 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.768 -21.271 -3.741 1.00 0.00 C ATOM 1201 CD LYS A 80 -1.181 -22.203 -4.882 1.00 0.00 C ATOM 1202 CE LYS A 80 -2.607 -22.719 -4.681 1.00 0.00 C ATOM 1203 NZ LYS A 80 -3.213 -23.088 -5.980 1.00 0.00 N ATOM 0 H LYS A 80 2.232 -19.709 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 80 0.304 -19.849 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.308 -21.513 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.821 -22.438 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.397 -21.455 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.929 -20.234 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.113 -21.673 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.490 -23.045 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.597 -23.585 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.212 -21.953 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.181 -23.436 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.240 -22.253 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.644 -23.834 -6.429 1.00 0.00 H new ATOM 1217 N ASN A 81 3.199 -21.260 -1.460 1.00 0.00 N ATOM 1218 CA ASN A 81 4.039 -21.760 -0.385 1.00 0.00 C ATOM 1219 C ASN A 81 4.222 -20.662 0.665 1.00 0.00 C ATOM 1220 O ASN A 81 4.276 -20.944 1.861 1.00 0.00 O ATOM 1221 CB ASN A 81 5.423 -22.153 -0.904 1.00 0.00 C ATOM 1222 CG ASN A 81 5.420 -23.585 -1.443 1.00 0.00 C ATOM 1223 OD1 ASN A 81 4.695 -24.449 -0.978 1.00 0.00 O ATOM 1224 ND2 ASN A 81 6.268 -23.787 -2.447 1.00 0.00 N ATOM 0 H ASN A 81 3.642 -21.253 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 81 3.553 -22.637 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.729 -21.465 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.155 -22.064 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.340 -24.710 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.846 -23.019 -2.788 1.00 0.00 H new ATOM 1231 N ALA A 82 4.314 -19.432 0.179 1.00 0.00 N ATOM 1232 CA ALA A 82 4.490 -18.291 1.060 1.00 0.00 C ATOM 1233 C ALA A 82 3.389 -18.297 2.123 1.00 0.00 C ATOM 1234 O ALA A 82 3.675 -18.350 3.318 1.00 0.00 O ATOM 1235 CB ALA A 82 4.496 -17.003 0.234 1.00 0.00 C ATOM 0 H ALA A 82 4.270 -19.202 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 82 5.448 -18.351 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.628 -16.147 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.315 -17.036 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.549 -16.908 -0.298 1.00 0.00 H new ATOM 1241 N ALA A 83 2.153 -18.242 1.648 1.00 0.00 N ATOM 1242 CA ALA A 83 1.008 -18.241 2.542 1.00 0.00 C ATOM 1243 C ALA A 83 0.593 -19.684 2.834 1.00 0.00 C ATOM 1244 O ALA A 83 -0.594 -20.007 2.821 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.125 -17.422 1.920 1.00 0.00 C ATOM 0 H ALA A 83 1.920 -18.198 0.656 1.00 0.00 H new ATOM 0 HA ALA A 83 1.264 -17.773 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.984 -17.421 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.212 -16.398 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.411 -17.863 0.965 1.00 0.00 H new ATOM 1251 N ASP A 84 1.593 -20.514 3.091 1.00 0.00 N ATOM 1252 CA ASP A 84 1.346 -21.915 3.385 1.00 0.00 C ATOM 1253 C ASP A 84 1.681 -22.190 4.853 1.00 0.00 C ATOM 1254 O ASP A 84 0.798 -22.518 5.644 1.00 0.00 O ATOM 1255 CB ASP A 84 2.225 -22.822 2.522 1.00 0.00 C ATOM 1256 CG ASP A 84 1.903 -24.315 2.617 1.00 0.00 C ATOM 1257 OD1 ASP A 84 2.184 -24.889 3.691 1.00 0.00 O ATOM 1258 OD2 ASP A 84 1.383 -24.848 1.613 1.00 0.00 O ATOM 0 H ASP A 84 2.576 -20.243 3.102 1.00 0.00 H new ATOM 0 HA ASP A 84 0.297 -22.124 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.131 -22.511 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.266 -22.671 2.807 1.00 0.00 H new ATOM 1263 N GLY A 85 2.959 -22.046 5.172 1.00 0.00 N ATOM 1264 CA GLY A 85 3.421 -22.275 6.531 1.00 0.00 C ATOM 1265 C GLY A 85 4.756 -21.571 6.781 1.00 0.00 C ATOM 1266 O GLY A 85 5.528 -21.986 7.644 1.00 0.00 O ATOM 0 H GLY A 85 3.689 -21.774 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.676 -21.912 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.531 -23.345 6.706 1.00 0.00 H new ATOM 1270 N ILE A 86 4.987 -20.517 6.011 1.00 0.00 N ATOM 1271 CA ILE A 86 6.215 -19.752 6.139 1.00 0.00 C ATOM 1272 C ILE A 86 6.272 -19.115 7.529 1.00 0.00 C ATOM 1273 O ILE A 86 7.119 -19.473 8.346 1.00 0.00 O ATOM 1274 CB ILE A 86 6.340 -18.744 4.995 1.00 0.00 C ATOM 1275 CG1 ILE A 86 6.896 -19.410 3.735 1.00 0.00 C ATOM 1276 CG2 ILE A 86 7.174 -17.533 5.419 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.303 -19.958 3.980 1.00 0.00 C ATOM 0 H ILE A 86 4.344 -20.175 5.297 1.00 0.00 H new ATOM 0 HA ILE A 86 7.082 -20.407 6.052 1.00 0.00 H new ATOM 0 HB ILE A 86 5.342 -18.378 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.235 -20.220 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.920 -18.688 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.247 -16.832 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.697 -17.041 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.173 -17.862 5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.675 -20.426 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.967 -19.142 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.271 -20.697 4.781 1.00 0.00 H new ATOM 1289 N ALA A 87 5.359 -18.182 7.755 1.00 0.00 N ATOM 1290 CA ALA A 87 5.294 -17.492 9.032 1.00 0.00 C ATOM 1291 C ALA A 87 6.294 -16.334 9.032 1.00 0.00 C ATOM 1292 O ALA A 87 7.229 -16.316 8.233 1.00 0.00 O ATOM 1293 CB ALA A 87 5.554 -18.487 10.164 1.00 0.00 C ATOM 0 H ALA A 87 4.658 -17.888 7.075 1.00 0.00 H new ATOM 0 HA ALA A 87 4.301 -17.071 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.505 -17.969 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.800 -19.273 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.543 -18.929 10.040 1.00 0.00 H new ATOM 1299 N GLU A 88 6.064 -15.395 9.939 1.00 0.00 N ATOM 1300 CA GLU A 88 6.933 -14.236 10.054 1.00 0.00 C ATOM 1301 C GLU A 88 6.677 -13.264 8.900 1.00 0.00 C ATOM 1302 O GLU A 88 7.168 -12.137 8.913 1.00 0.00 O ATOM 1303 CB GLU A 88 8.403 -14.657 10.100 1.00 0.00 C ATOM 1304 CG GLU A 88 9.181 -13.819 11.117 1.00 0.00 C ATOM 1305 CD GLU A 88 10.686 -13.896 10.855 1.00 0.00 C ATOM 1306 OE1 GLU A 88 11.068 -13.703 9.681 1.00 0.00 O ATOM 1307 OE2 GLU A 88 11.421 -14.147 11.835 1.00 0.00 O ATOM 0 H GLU A 88 5.288 -15.414 10.601 1.00 0.00 H new ATOM 0 HA GLU A 88 6.705 -13.726 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.475 -15.713 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.849 -14.543 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.852 -12.781 11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.965 -14.172 12.125 1.00 0.00 H new ATOM 1314 N ASN A 89 5.907 -13.737 7.930 1.00 0.00 N ATOM 1315 CA ASN A 89 5.580 -12.923 6.772 1.00 0.00 C ATOM 1316 C ASN A 89 5.190 -13.836 5.607 1.00 0.00 C ATOM 1317 O ASN A 89 6.046 -14.492 5.015 1.00 0.00 O ATOM 1318 CB ASN A 89 6.780 -12.082 6.333 1.00 0.00 C ATOM 1319 CG ASN A 89 6.545 -10.598 6.625 1.00 0.00 C ATOM 1320 OD1 ASN A 89 6.055 -9.915 5.595 1.00 0.00 O flip ATOM 1321 ND2 ASN A 89 6.793 -10.106 7.713 1.00 0.00 N flip ATOM 0 H ASN A 89 5.501 -14.673 7.923 1.00 0.00 H new ATOM 0 HA ASN A 89 4.758 -12.262 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.676 -12.421 6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.957 -12.223 5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.168 -10.688 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.625 -9.113 7.874 1.00 0.00 H new ATOM 1328 N PRO A 90 3.865 -13.848 5.304 1.00 0.00 N ATOM 1329 CA PRO A 90 3.352 -14.669 4.221 1.00 0.00 C ATOM 1330 C PRO A 90 3.692 -14.056 2.861 1.00 0.00 C ATOM 1331 O PRO A 90 3.853 -14.775 1.875 1.00 0.00 O ATOM 1332 CB PRO A 90 1.856 -14.763 4.473 1.00 0.00 C ATOM 1333 CG PRO A 90 1.519 -13.617 5.413 1.00 0.00 C ATOM 1334 CD PRO A 90 2.823 -13.083 5.983 1.00 0.00 C ATOM 0 HA PRO A 90 3.801 -15.662 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.297 -14.681 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.594 -15.723 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.985 -12.830 4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.864 -13.960 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.930 -12.015 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 90 2.870 -13.222 7.063 1.00 0.00 H new ATOM 1342 N PHE A 91 3.790 -12.735 2.850 1.00 0.00 N ATOM 1343 CA PHE A 91 4.108 -12.018 1.627 1.00 0.00 C ATOM 1344 C PHE A 91 5.598 -12.132 1.296 1.00 0.00 C ATOM 1345 O PHE A 91 6.430 -12.241 2.195 1.00 0.00 O ATOM 1346 CB PHE A 91 3.763 -10.547 1.868 1.00 0.00 C ATOM 1347 CG PHE A 91 3.133 -9.850 0.661 1.00 0.00 C ATOM 1348 CD1 PHE A 91 1.800 -9.975 0.422 1.00 0.00 C ATOM 1349 CD2 PHE A 91 3.906 -9.104 -0.173 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.215 -9.328 -0.698 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.321 -8.457 -1.294 1.00 0.00 C ATOM 1352 CZ PHE A 91 1.988 -8.583 -1.533 1.00 0.00 C ATOM 0 H PHE A 91 3.655 -12.142 3.669 1.00 0.00 H new ATOM 0 HA PHE A 91 3.545 -12.437 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.077 -10.479 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.670 -10.013 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.186 -10.567 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.964 -9.004 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.156 -9.427 -0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.935 -7.865 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.543 -8.092 -2.386 1.00 0.00 H new ATOM 1362 N LEU A 92 5.888 -12.103 0.004 1.00 0.00 N ATOM 1363 CA LEU A 92 7.262 -12.202 -0.457 1.00 0.00 C ATOM 1364 C LEU A 92 7.571 -11.024 -1.384 1.00 0.00 C ATOM 1365 O LEU A 92 7.098 -10.982 -2.519 1.00 0.00 O ATOM 1366 CB LEU A 92 7.516 -13.569 -1.095 1.00 0.00 C ATOM 1367 CG LEU A 92 7.326 -14.781 -0.181 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.283 -16.078 -0.993 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.401 -14.821 0.907 1.00 0.00 C ATOM 0 H LEU A 92 5.195 -12.012 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 92 7.952 -12.135 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.851 -13.677 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.536 -13.585 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 92 6.364 -14.683 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.147 -16.924 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.453 -16.038 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.218 -16.196 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.243 -15.692 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.386 -14.884 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.341 -13.915 1.511 1.00 0.00 H new ATOM 1381 N ASP A 93 8.361 -10.096 -0.865 1.00 0.00 N ATOM 1382 CA ASP A 93 8.738 -8.920 -1.632 1.00 0.00 C ATOM 1383 C ASP A 93 9.650 -9.341 -2.786 1.00 0.00 C ATOM 1384 O ASP A 93 10.840 -9.028 -2.787 1.00 0.00 O ATOM 1385 CB ASP A 93 9.504 -7.919 -0.764 1.00 0.00 C ATOM 1386 CG ASP A 93 10.199 -6.795 -1.535 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.767 -6.540 -2.680 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.147 -6.216 -0.962 1.00 0.00 O ATOM 0 H ASP A 93 8.751 -10.134 0.077 1.00 0.00 H new ATOM 0 HA ASP A 93 7.826 -8.452 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.811 -7.475 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.253 -8.460 -0.186 1.00 0.00 H new ATOM 1393 N SER A 94 9.058 -10.043 -3.741 1.00 0.00 N ATOM 1394 CA SER A 94 9.802 -10.509 -4.898 1.00 0.00 C ATOM 1395 C SER A 94 8.955 -10.353 -6.163 1.00 0.00 C ATOM 1396 O SER A 94 7.731 -10.468 -6.113 1.00 0.00 O ATOM 1397 CB SER A 94 10.233 -11.966 -4.725 1.00 0.00 C ATOM 1398 OG SER A 94 11.524 -12.211 -5.279 1.00 0.00 O ATOM 0 H SER A 94 8.071 -10.300 -3.737 1.00 0.00 H new ATOM 0 HA SER A 94 10.702 -9.901 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.240 -12.219 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.503 -12.619 -5.204 1.00 0.00 H new ATOM 0 HG SER A 94 11.764 -13.152 -5.147 1.00 0.00 H new ATOM 1404 N PRO A 95 9.658 -10.086 -7.296 1.00 0.00 N ATOM 1405 CA PRO A 95 8.983 -9.913 -8.572 1.00 0.00 C ATOM 1406 C PRO A 95 8.520 -11.258 -9.134 1.00 0.00 C ATOM 1407 O PRO A 95 7.845 -11.307 -10.161 1.00 0.00 O ATOM 1408 CB PRO A 95 9.999 -9.215 -9.462 1.00 0.00 C ATOM 1409 CG PRO A 95 11.352 -9.440 -8.806 1.00 0.00 C ATOM 1410 CD PRO A 95 11.107 -9.943 -7.393 1.00 0.00 C ATOM 0 HA PRO A 95 8.072 -9.321 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.981 -9.626 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.778 -8.151 -9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.935 -10.165 -9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.926 -8.514 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.611 -10.893 -7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.486 -9.240 -6.651 1.00 0.00 H new ATOM 1418 N ASP A 96 8.902 -12.318 -8.436 1.00 0.00 N ATOM 1419 CA ASP A 96 8.534 -13.661 -8.853 1.00 0.00 C ATOM 1420 C ASP A 96 7.137 -13.989 -8.325 1.00 0.00 C ATOM 1421 O ASP A 96 6.271 -14.428 -9.080 1.00 0.00 O ATOM 1422 CB ASP A 96 9.508 -14.698 -8.291 1.00 0.00 C ATOM 1423 CG ASP A 96 10.648 -15.091 -9.233 1.00 0.00 C ATOM 1424 OD1 ASP A 96 10.415 -16.001 -10.057 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.728 -14.473 -9.106 1.00 0.00 O ATOM 0 H ASP A 96 9.462 -12.274 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 96 8.560 -13.695 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.937 -14.308 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.948 -15.595 -8.028 1.00 0.00 H new ATOM 1430 N ALA A 97 6.960 -13.764 -7.031 1.00 0.00 N ATOM 1431 CA ALA A 97 5.682 -14.031 -6.393 1.00 0.00 C ATOM 1432 C ALA A 97 4.599 -13.173 -7.051 1.00 0.00 C ATOM 1433 O ALA A 97 4.657 -11.946 -6.997 1.00 0.00 O ATOM 1434 CB ALA A 97 5.798 -13.771 -4.889 1.00 0.00 C ATOM 0 H ALA A 97 7.680 -13.400 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 97 5.399 -15.076 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.839 -13.971 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.559 -14.425 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.078 -12.731 -4.720 1.00 0.00 H new ATOM 1440 N PHE A 98 3.637 -13.854 -7.656 1.00 0.00 N ATOM 1441 CA PHE A 98 2.543 -13.170 -8.323 1.00 0.00 C ATOM 1442 C PHE A 98 1.255 -13.265 -7.503 1.00 0.00 C ATOM 1443 O PHE A 98 0.854 -14.354 -7.094 1.00 0.00 O ATOM 1444 CB PHE A 98 2.331 -13.870 -9.667 1.00 0.00 C ATOM 1445 CG PHE A 98 3.620 -14.104 -10.457 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.250 -13.057 -11.055 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.136 -15.358 -10.561 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.447 -13.274 -11.789 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.332 -15.575 -11.294 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.963 -14.528 -11.893 1.00 0.00 C ATOM 0 H PHE A 98 3.593 -14.872 -7.698 1.00 0.00 H new ATOM 0 HA PHE A 98 2.785 -12.115 -8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.845 -14.830 -9.492 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.649 -13.273 -10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.840 -12.061 -10.972 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.636 -16.189 -10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.947 -12.443 -12.264 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.741 -16.571 -11.377 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.873 -14.693 -12.451 1.00 0.00 H new ATOM 1460 N TYR A 99 0.642 -12.111 -7.287 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.593 -12.051 -6.523 1.00 0.00 C ATOM 1462 C TYR A 99 -1.686 -11.319 -7.304 1.00 0.00 C ATOM 1463 O TYR A 99 -1.439 -10.262 -7.883 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.267 -11.255 -5.257 1.00 0.00 C ATOM 1465 CG TYR A 99 0.262 -12.110 -4.104 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.561 -13.036 -3.497 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.563 -11.954 -3.670 1.00 0.00 C ATOM 1468 CE1 TYR A 99 -0.063 -13.841 -2.412 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.061 -12.759 -2.585 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.223 -13.662 -2.009 1.00 0.00 C ATOM 1471 OH TYR A 99 1.694 -14.422 -0.984 1.00 0.00 O ATOM 0 H TYR A 99 0.977 -11.210 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.958 -13.054 -6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.473 -10.493 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.165 -10.733 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.579 -13.157 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.207 -11.228 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.697 -14.570 -1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.077 -12.648 -2.236 1.00 0.00 H new ATOM 0 HH TYR A 99 2.628 -14.187 -0.805 1.00 0.00 H new ATOM 1481 N TYR A 100 -2.872 -11.910 -7.296 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.004 -11.327 -7.996 1.00 0.00 C ATOM 1483 C TYR A 100 -5.211 -11.188 -7.067 1.00 0.00 C ATOM 1484 O TYR A 100 -5.470 -12.065 -6.245 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.351 -12.303 -9.122 1.00 0.00 C ATOM 1486 CG TYR A 100 -4.951 -13.625 -8.636 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.123 -14.635 -8.189 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.319 -13.806 -8.645 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.687 -15.878 -7.732 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -6.883 -15.050 -8.188 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.039 -16.024 -7.754 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.572 -17.199 -7.322 1.00 0.00 O ATOM 0 H TYR A 100 -3.073 -12.787 -6.816 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.756 -10.332 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.056 -11.823 -9.801 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.449 -12.514 -9.697 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.052 -14.493 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.966 -13.015 -8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.051 -16.677 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.952 -15.206 -8.190 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.549 -17.161 -7.393 1.00 0.00 H new ATOM 1502 N PHE A 101 -5.917 -10.078 -7.229 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.091 -9.813 -6.415 1.00 0.00 C ATOM 1504 C PHE A 101 -8.130 -10.925 -6.572 1.00 0.00 C ATOM 1505 O PHE A 101 -8.267 -11.503 -7.649 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.691 -8.496 -6.910 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.682 -7.349 -7.004 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -5.885 -7.056 -5.942 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.583 -6.623 -8.150 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -4.949 -5.992 -6.029 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.647 -5.558 -8.237 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.850 -5.265 -7.175 1.00 0.00 C ATOM 0 H PHE A 101 -5.698 -9.352 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.810 -9.762 -5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.135 -8.657 -7.892 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.499 -8.202 -6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.964 -7.633 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.216 -6.856 -8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.316 -5.760 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.568 -4.981 -9.147 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.138 -4.455 -7.241 1.00 0.00 H new ATOM 1522 N PRO A 102 -8.855 -11.196 -5.454 1.00 0.00 N ATOM 1523 CA PRO A 102 -9.878 -12.228 -5.458 1.00 0.00 C ATOM 1524 C PRO A 102 -11.132 -11.755 -6.198 1.00 0.00 C ATOM 1525 O PRO A 102 -12.205 -11.653 -5.605 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.134 -12.534 -3.991 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.590 -11.345 -3.217 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.721 -10.531 -4.162 1.00 0.00 C ATOM 0 HA PRO A 102 -9.566 -13.127 -5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.199 -12.670 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.636 -13.456 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.407 -10.736 -2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.009 -11.682 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.055 -9.495 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.683 -10.515 -3.831 1.00 0.00 H new ATOM 1536 N ASP A 103 -10.953 -11.479 -7.481 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.056 -11.019 -8.308 1.00 0.00 C ATOM 1538 C ASP A 103 -11.573 -10.855 -9.750 1.00 0.00 C ATOM 1539 O ASP A 103 -12.294 -11.184 -10.691 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.577 -9.663 -7.827 1.00 0.00 C ATOM 1541 CG ASP A 103 -13.600 -9.729 -6.691 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -14.697 -10.270 -6.946 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -13.260 -9.237 -5.592 1.00 0.00 O ATOM 0 H ASP A 103 -10.061 -11.565 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.856 -11.756 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.730 -9.061 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.028 -9.143 -8.672 1.00 0.00 H new ATOM 1548 N SER A 104 -10.356 -10.348 -9.879 1.00 0.00 N ATOM 1549 CA SER A 104 -9.769 -10.136 -11.191 1.00 0.00 C ATOM 1550 C SER A 104 -8.772 -11.255 -11.504 1.00 0.00 C ATOM 1551 O SER A 104 -8.681 -12.234 -10.766 1.00 0.00 O ATOM 1552 CB SER A 104 -9.079 -8.773 -11.272 1.00 0.00 C ATOM 1553 OG SER A 104 -8.851 -8.370 -12.620 1.00 0.00 O ATOM 0 H SER A 104 -9.760 -10.078 -9.096 1.00 0.00 H new ATOM 0 HA SER A 104 -10.569 -10.152 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.692 -8.026 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.128 -8.816 -10.740 1.00 0.00 H new ATOM 0 HG SER A 104 -9.032 -7.411 -12.710 1.00 0.00 H new