USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 37 THR OG1 : rot -83:sc= 0.728 USER MOD Set 1.2: A 69 THR OG1 : rot -77:sc= 1.75 USER MOD Set 2.1: A 12 MET CE :methyl -109:sc=-0.000604 (180deg=-0.907) USER MOD Set 2.2: A 68 THR OG1 : rot -68:sc= 1.2 USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.468 USER MOD Set 3.2: A 98 THR OG1 : rot 79:sc= 0.572 USER MOD Single : A 13 TYR OH : rot 93:sc= -0.204 USER MOD Single : A 19 GLN : amide:sc= -0.872 K(o=-0.87,f=-7.1!) USER MOD Single : A 20 SER OG : rot 79:sc= 0.322 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0.858 (180deg=-0.0832) USER MOD Single : A 29 SER OG : rot 36:sc= 0.238 USER MOD Single : A 35 ASN : amide:sc= -0.0715 K(o=-0.072,f=-5!) USER MOD Single : A 38 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.87) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 142:sc= 0.737 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -130:sc= -0.0119 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 53:sc= 0.0586 USER MOD Single : A 93 MET CE :methyl 155:sc= -1.01 (180deg=-2.88) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.47) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -159:sc= -0.324 (180deg=-1.3) USER MOD Single : A 110 SER OG : rot -81:sc= 0.521 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 88:sc= -0.106 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 20.157 5.862 -3.635 1.00 0.00 N ATOM 110 CA GLY A 10 18.844 5.352 -3.276 1.00 0.00 C ATOM 111 C GLY A 10 18.593 5.566 -1.784 1.00 0.00 C ATOM 112 O GLY A 10 19.197 6.439 -1.164 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.075 5.859 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.778 4.291 -3.516 1.00 0.00 H new ATOM 116 N ALA A 11 17.698 4.767 -1.212 1.00 0.00 N ATOM 117 CA ALA A 11 17.029 4.996 0.067 1.00 0.00 C ATOM 118 C ALA A 11 16.723 3.665 0.781 1.00 0.00 C ATOM 119 O ALA A 11 17.290 2.619 0.459 1.00 0.00 O ATOM 120 CB ALA A 11 15.739 5.791 -0.210 1.00 0.00 C ATOM 0 H ALA A 11 17.403 3.895 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 11 17.680 5.563 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.218 5.977 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.991 6.742 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.094 5.218 -0.876 1.00 0.00 H new ATOM 126 N MET A 12 15.841 3.698 1.782 1.00 0.00 N ATOM 127 CA MET A 12 14.930 2.626 2.141 1.00 0.00 C ATOM 128 C MET A 12 13.518 3.157 2.043 1.00 0.00 C ATOM 129 O MET A 12 13.314 4.376 2.066 1.00 0.00 O ATOM 130 CB MET A 12 15.134 2.167 3.582 1.00 0.00 C ATOM 131 CG MET A 12 16.426 1.391 3.654 1.00 0.00 C ATOM 132 SD MET A 12 16.460 0.158 4.968 1.00 0.00 S ATOM 133 CE MET A 12 15.364 -1.081 4.236 1.00 0.00 C ATOM 0 H MET A 12 15.743 4.513 2.388 1.00 0.00 H new ATOM 0 HA MET A 12 15.114 1.788 1.469 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.169 3.026 4.253 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.299 1.545 3.904 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.595 0.895 2.698 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.251 2.089 3.801 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.419 -1.097 4.779 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.178 -0.831 3.192 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.834 -2.063 4.296 1.00 0.00 H new ATOM 143 N TYR A 13 12.587 2.213 2.009 1.00 0.00 N ATOM 144 CA TYR A 13 11.163 2.452 1.889 1.00 0.00 C ATOM 145 C TYR A 13 10.373 1.453 2.726 1.00 0.00 C ATOM 146 O TYR A 13 10.724 0.268 2.805 1.00 0.00 O ATOM 147 CB TYR A 13 10.753 2.322 0.420 1.00 0.00 C ATOM 148 CG TYR A 13 11.071 3.534 -0.429 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.522 4.777 -0.062 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.851 3.420 -1.599 1.00 0.00 C ATOM 151 CE1 TYR A 13 10.789 5.915 -0.832 1.00 0.00 C ATOM 152 CE2 TYR A 13 12.096 4.553 -2.397 1.00 0.00 C ATOM 153 CZ TYR A 13 11.594 5.803 -1.984 1.00 0.00 C ATOM 154 OH TYR A 13 11.855 6.903 -2.719 1.00 0.00 O ATOM 0 H TYR A 13 12.817 1.221 2.067 1.00 0.00 H new ATOM 0 HA TYR A 13 10.945 3.456 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.252 1.453 -0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.681 2.130 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.895 4.853 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.261 2.462 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.381 6.873 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.661 4.466 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 13 12.692 7.310 -2.413 1.00 0.00 H new ATOM 164 N GLU A 14 9.275 1.938 3.303 1.00 0.00 N ATOM 165 CA GLU A 14 8.302 1.173 4.060 1.00 0.00 C ATOM 166 C GLU A 14 6.943 1.871 3.897 1.00 0.00 C ATOM 167 O GLU A 14 6.873 3.091 3.791 1.00 0.00 O ATOM 168 CB GLU A 14 8.795 1.110 5.514 1.00 0.00 C ATOM 169 CG GLU A 14 7.808 0.503 6.520 1.00 0.00 C ATOM 170 CD GLU A 14 8.390 0.500 7.938 1.00 0.00 C ATOM 171 OE1 GLU A 14 9.609 0.267 8.109 1.00 0.00 O ATOM 172 OE2 GLU A 14 7.652 0.716 8.923 1.00 0.00 O ATOM 0 H GLU A 14 9.033 2.927 3.249 1.00 0.00 H new ATOM 0 HA GLU A 14 8.185 0.146 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.718 0.530 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.043 2.120 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.878 1.071 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.563 -0.517 6.223 1.00 0.00 H new ATOM 179 N VAL A 15 5.860 1.110 3.847 1.00 0.00 N ATOM 180 CA VAL A 15 4.469 1.570 3.774 1.00 0.00 C ATOM 181 C VAL A 15 3.642 0.723 4.740 1.00 0.00 C ATOM 182 O VAL A 15 3.876 -0.481 4.880 1.00 0.00 O ATOM 183 CB VAL A 15 3.988 1.484 2.300 1.00 0.00 C ATOM 184 CG1 VAL A 15 4.087 0.077 1.680 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.552 1.983 2.105 1.00 0.00 C ATOM 0 H VAL A 15 5.926 0.092 3.857 1.00 0.00 H new ATOM 0 HA VAL A 15 4.359 2.612 4.075 1.00 0.00 H new ATOM 0 HB VAL A 15 4.684 2.142 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.731 0.107 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.125 -0.255 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.475 -0.618 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.276 1.897 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.873 1.381 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.484 3.026 2.413 1.00 0.00 H new ATOM 195 N THR A 16 2.644 1.319 5.383 1.00 0.00 N ATOM 196 CA THR A 16 1.634 0.577 6.122 1.00 0.00 C ATOM 197 C THR A 16 0.341 0.693 5.351 1.00 0.00 C ATOM 198 O THR A 16 -0.056 1.803 4.998 1.00 0.00 O ATOM 199 CB THR A 16 1.506 1.074 7.571 1.00 0.00 C ATOM 200 OG1 THR A 16 1.763 2.461 7.724 1.00 0.00 O ATOM 201 CG2 THR A 16 2.506 0.339 8.458 1.00 0.00 C ATOM 0 H THR A 16 2.514 2.330 5.405 1.00 0.00 H new ATOM 0 HA THR A 16 1.917 -0.472 6.210 1.00 0.00 H new ATOM 0 HB THR A 16 0.472 0.880 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.663 2.710 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.412 0.694 9.484 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.304 -0.732 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.518 0.528 8.100 1.00 0.00 H new ATOM 209 N ILE A 17 -0.275 -0.453 5.080 1.00 0.00 N ATOM 210 CA ILE A 17 -1.658 -0.542 4.678 1.00 0.00 C ATOM 211 C ILE A 17 -2.433 -0.939 5.910 1.00 0.00 C ATOM 212 O ILE A 17 -1.907 -1.606 6.801 1.00 0.00 O ATOM 213 CB ILE A 17 -1.827 -1.578 3.545 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.219 -1.547 2.872 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.585 -3.039 3.974 1.00 0.00 C ATOM 216 CD1 ILE A 17 -3.730 -0.170 2.443 1.00 0.00 C ATOM 0 H ILE A 17 0.190 -1.359 5.137 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.023 0.407 4.285 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.055 -1.265 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.189 -2.191 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.943 -1.982 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.725 -3.698 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.567 -3.144 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.292 -3.310 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.713 -0.274 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.803 0.479 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.038 0.267 1.723 1.00 0.00 H new ATOM 228 N GLU A 18 -3.692 -0.579 5.931 1.00 0.00 N ATOM 229 CA GLU A 18 -4.672 -0.870 6.935 1.00 0.00 C ATOM 230 C GLU A 18 -6.026 -0.863 6.247 1.00 0.00 C ATOM 231 O GLU A 18 -6.095 -0.793 5.017 1.00 0.00 O ATOM 232 CB GLU A 18 -4.523 0.094 8.109 1.00 0.00 C ATOM 233 CG GLU A 18 -4.025 1.450 7.721 1.00 0.00 C ATOM 234 CD GLU A 18 -5.022 2.014 6.709 1.00 0.00 C ATOM 235 OE1 GLU A 18 -6.176 2.334 7.083 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.670 2.091 5.510 1.00 0.00 O ATOM 0 H GLU A 18 -4.088 -0.023 5.173 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.543 -1.854 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.488 0.200 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.837 -0.339 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.951 2.099 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.028 1.386 7.286 1.00 0.00 H new ATOM 243 N GLN A 19 -7.094 -1.003 7.015 1.00 0.00 N ATOM 244 CA GLN A 19 -8.446 -0.785 6.554 1.00 0.00 C ATOM 245 C GLN A 19 -9.277 -0.259 7.725 1.00 0.00 C ATOM 246 O GLN A 19 -8.880 -0.353 8.892 1.00 0.00 O ATOM 247 CB GLN A 19 -9.005 -2.134 6.038 1.00 0.00 C ATOM 248 CG GLN A 19 -8.741 -2.423 4.549 1.00 0.00 C ATOM 249 CD GLN A 19 -8.237 -3.836 4.262 1.00 0.00 C ATOM 250 OE1 GLN A 19 -9.005 -4.708 3.880 1.00 0.00 O ATOM 251 NE2 GLN A 19 -6.941 -4.074 4.307 1.00 0.00 N ATOM 0 H GLN A 19 -7.039 -1.277 7.996 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.480 -0.055 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.572 -2.940 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.081 -2.154 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.662 -2.258 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.009 -1.706 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.300 -3.347 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.580 -4.985 4.023 1.00 0.00 H new ATOM 260 N SER A 20 -10.466 0.261 7.419 1.00 0.00 N ATOM 261 CA SER A 20 -11.468 0.641 8.402 1.00 0.00 C ATOM 262 C SER A 20 -12.855 0.300 7.900 1.00 0.00 C ATOM 263 O SER A 20 -13.015 0.094 6.700 1.00 0.00 O ATOM 264 CB SER A 20 -11.407 2.149 8.708 1.00 0.00 C ATOM 265 OG SER A 20 -10.085 2.654 8.773 1.00 0.00 O ATOM 0 H SER A 20 -10.761 0.432 6.458 1.00 0.00 H new ATOM 0 HA SER A 20 -11.256 0.085 9.315 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.958 2.691 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.909 2.341 9.656 1.00 0.00 H new ATOM 0 HG SER A 20 -9.742 2.789 7.865 1.00 0.00 H new ATOM 271 N GLY A 21 -13.845 0.318 8.792 1.00 0.00 N ATOM 272 CA GLY A 21 -15.221 0.021 8.448 1.00 0.00 C ATOM 273 C GLY A 21 -15.327 -1.380 7.856 1.00 0.00 C ATOM 274 O GLY A 21 -14.588 -2.282 8.276 1.00 0.00 O ATOM 0 H GLY A 21 -13.706 0.541 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.849 0.097 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.591 0.755 7.732 1.00 0.00 H new ATOM 278 N ASP A 22 -16.261 -1.583 6.931 1.00 0.00 N ATOM 279 CA ASP A 22 -16.425 -2.855 6.246 1.00 0.00 C ATOM 280 C ASP A 22 -15.326 -3.041 5.208 1.00 0.00 C ATOM 281 O ASP A 22 -15.273 -2.342 4.201 1.00 0.00 O ATOM 282 CB ASP A 22 -17.785 -2.991 5.576 1.00 0.00 C ATOM 283 CG ASP A 22 -17.979 -4.471 5.259 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.564 -4.922 4.167 1.00 0.00 O ATOM 285 OD2 ASP A 22 -18.448 -5.184 6.182 1.00 0.00 O ATOM 0 H ASP A 22 -16.925 -0.867 6.637 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.356 -3.632 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.576 -2.630 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.828 -2.393 4.666 1.00 0.00 H new ATOM 290 N PHE A 23 -14.437 -3.995 5.449 1.00 0.00 N ATOM 291 CA PHE A 23 -13.401 -4.404 4.516 1.00 0.00 C ATOM 292 C PHE A 23 -13.672 -5.829 4.039 1.00 0.00 C ATOM 293 O PHE A 23 -12.756 -6.621 3.802 1.00 0.00 O ATOM 294 CB PHE A 23 -12.020 -4.153 5.127 1.00 0.00 C ATOM 295 CG PHE A 23 -11.665 -4.886 6.412 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.131 -6.189 6.376 1.00 0.00 C ATOM 297 CD2 PHE A 23 -11.812 -4.235 7.652 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.765 -6.841 7.566 1.00 0.00 C ATOM 299 CE2 PHE A 23 -11.498 -4.907 8.847 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.968 -6.206 8.806 1.00 0.00 C ATOM 0 H PHE A 23 -14.418 -4.519 6.324 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.415 -3.798 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.271 -4.410 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.927 -3.083 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.002 -6.690 5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.167 -3.216 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.328 -7.828 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.665 -4.423 9.798 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.717 -6.717 9.724 1.00 0.00 H new ATOM 310 N ARG A 24 -14.957 -6.168 3.928 1.00 0.00 N ATOM 311 CA ARG A 24 -15.460 -7.521 3.763 1.00 0.00 C ATOM 312 C ARG A 24 -16.350 -7.613 2.508 1.00 0.00 C ATOM 313 O ARG A 24 -16.860 -8.695 2.197 1.00 0.00 O ATOM 314 CB ARG A 24 -16.184 -7.883 5.078 1.00 0.00 C ATOM 315 CG ARG A 24 -15.241 -7.987 6.297 1.00 0.00 C ATOM 316 CD ARG A 24 -16.018 -7.981 7.620 1.00 0.00 C ATOM 317 NE ARG A 24 -15.124 -8.166 8.782 1.00 0.00 N ATOM 318 CZ ARG A 24 -15.130 -7.468 9.926 1.00 0.00 C ATOM 319 NH1 ARG A 24 -15.987 -6.476 10.136 1.00 0.00 N ATOM 320 NH2 ARG A 24 -14.254 -7.765 10.879 1.00 0.00 N ATOM 0 H ARG A 24 -15.703 -5.473 3.952 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.664 -8.246 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -16.946 -7.131 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.702 -8.833 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.653 -8.902 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.538 -7.154 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.556 -7.038 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.765 -8.774 7.606 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.426 -8.906 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.665 -6.227 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.967 -5.963 11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.583 -8.520 10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.252 -7.238 11.752 1.00 0.00 H new ATOM 334 N SER A 25 -16.527 -6.506 1.769 1.00 0.00 N ATOM 335 CA SER A 25 -17.325 -6.428 0.546 1.00 0.00 C ATOM 336 C SER A 25 -16.834 -5.331 -0.420 1.00 0.00 C ATOM 337 O SER A 25 -17.631 -4.771 -1.174 1.00 0.00 O ATOM 338 CB SER A 25 -18.790 -6.205 0.938 1.00 0.00 C ATOM 339 OG SER A 25 -19.662 -6.986 0.134 1.00 0.00 O ATOM 0 H SER A 25 -16.102 -5.613 2.019 1.00 0.00 H new ATOM 0 HA SER A 25 -17.218 -7.367 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.931 -6.462 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 -19.041 -5.150 0.832 1.00 0.00 H new ATOM 0 HG SER A 25 -20.590 -6.826 0.406 1.00 0.00 H new ATOM 345 N PHE A 26 -15.547 -4.990 -0.416 1.00 0.00 N ATOM 346 CA PHE A 26 -14.942 -4.080 -1.386 1.00 0.00 C ATOM 347 C PHE A 26 -13.801 -4.824 -2.074 1.00 0.00 C ATOM 348 O PHE A 26 -12.839 -5.197 -1.398 1.00 0.00 O ATOM 349 CB PHE A 26 -14.426 -2.786 -0.727 1.00 0.00 C ATOM 350 CG PHE A 26 -15.473 -1.846 -0.162 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.142 -2.171 1.033 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.748 -0.620 -0.800 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.115 -1.305 1.553 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.712 0.254 -0.267 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.413 -0.099 0.898 1.00 0.00 C ATOM 0 H PHE A 26 -14.884 -5.344 0.273 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.697 -3.774 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.746 -3.062 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.840 -2.239 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.906 -3.089 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.217 -0.351 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.637 -1.567 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.914 1.197 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.179 0.555 1.289 1.00 0.00 H new ATOM 365 N ILE A 27 -13.884 -5.050 -3.387 1.00 0.00 N ATOM 366 CA ILE A 27 -12.801 -5.676 -4.146 1.00 0.00 C ATOM 367 C ILE A 27 -11.604 -4.723 -4.125 1.00 0.00 C ATOM 368 O ILE A 27 -11.738 -3.572 -4.538 1.00 0.00 O ATOM 369 CB ILE A 27 -13.244 -6.004 -5.592 1.00 0.00 C ATOM 370 CG1 ILE A 27 -14.503 -6.893 -5.668 1.00 0.00 C ATOM 371 CG2 ILE A 27 -12.092 -6.637 -6.398 1.00 0.00 C ATOM 372 CD1 ILE A 27 -14.404 -8.208 -4.891 1.00 0.00 C ATOM 0 H ILE A 27 -14.699 -4.806 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.524 -6.627 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.513 -5.047 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.355 -6.327 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.709 -7.119 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.433 -6.856 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.253 -5.942 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.774 -7.560 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.333 -8.767 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.576 -8.800 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.232 -7.995 -3.836 1.00 0.00 H new ATOM 384 N LYS A 28 -10.454 -5.181 -3.622 1.00 0.00 N ATOM 385 CA LYS A 28 -9.217 -4.400 -3.555 1.00 0.00 C ATOM 386 C LYS A 28 -8.387 -4.612 -4.817 1.00 0.00 C ATOM 387 O LYS A 28 -8.490 -5.665 -5.449 1.00 0.00 O ATOM 388 CB LYS A 28 -8.339 -4.825 -2.361 1.00 0.00 C ATOM 389 CG LYS A 28 -9.043 -5.245 -1.070 1.00 0.00 C ATOM 390 CD LYS A 28 -9.788 -4.177 -0.275 1.00 0.00 C ATOM 391 CE LYS A 28 -9.879 -4.655 1.183 1.00 0.00 C ATOM 392 NZ LYS A 28 -10.504 -5.987 1.381 1.00 0.00 N ATOM 0 H LYS A 28 -10.356 -6.123 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.513 -3.357 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.712 -5.655 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.672 -3.996 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.755 -6.031 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.296 -5.689 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.264 -3.223 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.784 -4.019 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.873 -4.679 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.445 -3.919 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.382 -5.881 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.721 -6.410 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.847 -6.605 1.899 1.00 0.00 H new ATOM 406 N SER A 29 -7.461 -3.693 -5.081 1.00 0.00 N ATOM 407 CA SER A 29 -6.299 -3.864 -5.925 1.00 0.00 C ATOM 408 C SER A 29 -5.221 -2.905 -5.425 1.00 0.00 C ATOM 409 O SER A 29 -5.524 -1.740 -5.142 1.00 0.00 O ATOM 410 CB SER A 29 -6.674 -3.524 -7.364 1.00 0.00 C ATOM 411 OG SER A 29 -7.170 -4.678 -8.012 1.00 0.00 O ATOM 0 H SER A 29 -7.513 -2.755 -4.683 1.00 0.00 H new ATOM 0 HA SER A 29 -5.935 -4.891 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.427 -2.736 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.803 -3.142 -7.897 1.00 0.00 H new ATOM 0 HG SER A 29 -7.687 -5.214 -7.375 1.00 0.00 H new ATOM 417 N VAL A 30 -3.971 -3.366 -5.337 1.00 0.00 N ATOM 418 CA VAL A 30 -2.801 -2.531 -5.075 1.00 0.00 C ATOM 419 C VAL A 30 -1.678 -3.007 -6.003 1.00 0.00 C ATOM 420 O VAL A 30 -1.586 -4.196 -6.311 1.00 0.00 O ATOM 421 CB VAL A 30 -2.395 -2.595 -3.580 1.00 0.00 C ATOM 422 CG1 VAL A 30 -1.180 -1.701 -3.272 1.00 0.00 C ATOM 423 CG2 VAL A 30 -3.527 -2.160 -2.631 1.00 0.00 C ATOM 0 H VAL A 30 -3.741 -4.353 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.021 -1.483 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.154 -3.644 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.931 -1.777 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.328 -2.026 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.419 -0.666 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.182 -2.226 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.813 -1.132 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.388 -2.814 -2.768 1.00 0.00 H new ATOM 433 N VAL A 31 -0.828 -2.078 -6.437 1.00 0.00 N ATOM 434 CA VAL A 31 0.414 -2.301 -7.159 1.00 0.00 C ATOM 435 C VAL A 31 1.526 -1.764 -6.254 1.00 0.00 C ATOM 436 O VAL A 31 1.458 -0.591 -5.866 1.00 0.00 O ATOM 437 CB VAL A 31 0.376 -1.516 -8.493 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.678 -1.696 -9.292 1.00 0.00 C ATOM 439 CG2 VAL A 31 -0.839 -1.836 -9.381 1.00 0.00 C ATOM 0 H VAL A 31 -1.004 -1.086 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 31 0.573 -3.353 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 31 0.274 -0.472 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.615 -1.131 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.520 -1.332 -8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.823 -2.752 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.788 -1.244 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.835 -2.896 -9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.756 -1.595 -8.843 1.00 0.00 H new ATOM 449 N VAL A 32 2.564 -2.559 -5.980 1.00 0.00 N ATOM 450 CA VAL A 32 3.798 -2.095 -5.349 1.00 0.00 C ATOM 451 C VAL A 32 4.950 -2.283 -6.335 1.00 0.00 C ATOM 452 O VAL A 32 4.966 -3.234 -7.120 1.00 0.00 O ATOM 453 CB VAL A 32 4.015 -2.774 -3.980 1.00 0.00 C ATOM 454 CG1 VAL A 32 4.334 -4.260 -4.128 1.00 0.00 C ATOM 455 CG2 VAL A 32 5.140 -2.113 -3.169 1.00 0.00 C ATOM 0 H VAL A 32 2.569 -3.556 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 32 3.737 -1.031 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 32 3.074 -2.653 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.480 -4.701 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.507 -4.761 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.243 -4.380 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.252 -2.628 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.075 -2.174 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.893 -1.067 -2.990 1.00 0.00 H new ATOM 465 N VAL A 33 5.939 -1.395 -6.277 1.00 0.00 N ATOM 466 CA VAL A 33 7.205 -1.500 -6.990 1.00 0.00 C ATOM 467 C VAL A 33 8.288 -1.296 -5.933 1.00 0.00 C ATOM 468 O VAL A 33 8.057 -0.561 -4.975 1.00 0.00 O ATOM 469 CB VAL A 33 7.261 -0.448 -8.122 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.564 -0.562 -8.928 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.075 -0.585 -9.095 1.00 0.00 C ATOM 0 H VAL A 33 5.876 -0.550 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 33 7.340 -2.465 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 33 7.213 0.525 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.572 0.191 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.416 -0.404 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.630 -1.554 -9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.154 0.173 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.090 -1.575 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.140 -0.450 -8.551 1.00 0.00 H new ATOM 481 N ALA A 34 9.447 -1.943 -6.086 1.00 0.00 N ATOM 482 CA ALA A 34 10.613 -1.739 -5.239 1.00 0.00 C ATOM 483 C ALA A 34 11.852 -1.976 -6.096 1.00 0.00 C ATOM 484 O ALA A 34 12.293 -3.115 -6.238 1.00 0.00 O ATOM 485 CB ALA A 34 10.577 -2.671 -4.019 1.00 0.00 C ATOM 0 H ALA A 34 9.598 -2.636 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 34 10.627 -0.723 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.459 -2.498 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.680 -2.469 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.566 -3.708 -4.354 1.00 0.00 H new ATOM 491 N ASN A 35 12.382 -0.915 -6.706 1.00 0.00 N ATOM 492 CA ASN A 35 13.655 -0.985 -7.419 1.00 0.00 C ATOM 493 C ASN A 35 14.744 -1.281 -6.405 1.00 0.00 C ATOM 494 O ASN A 35 14.864 -0.527 -5.443 1.00 0.00 O ATOM 495 CB ASN A 35 13.953 0.350 -8.125 1.00 0.00 C ATOM 496 CG ASN A 35 15.258 0.387 -8.936 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.260 -0.264 -8.642 1.00 0.00 O ATOM 498 ND2 ASN A 35 15.300 1.207 -9.965 1.00 0.00 N ATOM 0 H ASN A 35 11.946 0.007 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 35 13.612 -1.767 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.123 0.582 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.989 1.139 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.157 1.298 -10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.475 1.751 -10.217 1.00 0.00 H new ATOM 505 N GLY A 36 15.557 -2.308 -6.633 1.00 0.00 N ATOM 506 CA GLY A 36 16.910 -2.366 -6.094 1.00 0.00 C ATOM 507 C GLY A 36 17.139 -3.479 -5.082 1.00 0.00 C ATOM 508 O GLY A 36 18.293 -3.790 -4.797 1.00 0.00 O ATOM 0 H GLY A 36 15.297 -3.119 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.611 -2.492 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.141 -1.411 -5.623 1.00 0.00 H new ATOM 512 N THR A 37 16.080 -4.089 -4.557 1.00 0.00 N ATOM 513 CA THR A 37 16.118 -5.157 -3.564 1.00 0.00 C ATOM 514 C THR A 37 14.745 -5.850 -3.629 1.00 0.00 C ATOM 515 O THR A 37 13.975 -5.603 -4.563 1.00 0.00 O ATOM 516 CB THR A 37 16.510 -4.529 -2.206 1.00 0.00 C ATOM 517 OG1 THR A 37 17.072 -5.436 -1.268 1.00 0.00 O ATOM 518 CG2 THR A 37 15.358 -3.743 -1.585 1.00 0.00 C ATOM 0 H THR A 37 15.128 -3.840 -4.825 1.00 0.00 H new ATOM 0 HA THR A 37 16.866 -5.931 -3.738 1.00 0.00 H new ATOM 0 HB THR A 37 17.313 -3.835 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.353 -5.912 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.678 -3.320 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.062 -2.939 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.511 -4.409 -1.420 1.00 0.00 H new ATOM 526 N GLN A 38 14.417 -6.715 -2.670 1.00 0.00 N ATOM 527 CA GLN A 38 13.102 -7.321 -2.543 1.00 0.00 C ATOM 528 C GLN A 38 12.281 -6.639 -1.456 1.00 0.00 C ATOM 529 O GLN A 38 12.824 -5.993 -0.554 1.00 0.00 O ATOM 530 CB GLN A 38 13.268 -8.815 -2.249 1.00 0.00 C ATOM 531 CG GLN A 38 13.478 -9.601 -3.548 1.00 0.00 C ATOM 532 CD GLN A 38 14.864 -9.515 -4.178 1.00 0.00 C ATOM 533 OE1 GLN A 38 15.844 -9.142 -3.538 1.00 0.00 O ATOM 534 NE2 GLN A 38 14.962 -9.890 -5.445 1.00 0.00 N ATOM 0 H GLN A 38 15.073 -7.016 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 38 12.559 -7.194 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.118 -8.968 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.386 -9.189 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.257 -10.650 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.748 -9.253 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.131 -10.195 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.868 -9.873 -5.913 1.00 0.00 H new ATOM 543 N LEU A 39 10.967 -6.832 -1.518 1.00 0.00 N ATOM 544 CA LEU A 39 10.061 -6.430 -0.458 1.00 0.00 C ATOM 545 C LEU A 39 10.197 -7.402 0.703 1.00 0.00 C ATOM 546 O LEU A 39 10.700 -8.515 0.531 1.00 0.00 O ATOM 547 CB LEU A 39 8.614 -6.454 -0.974 1.00 0.00 C ATOM 548 CG LEU A 39 7.790 -5.242 -0.542 1.00 0.00 C ATOM 549 CD1 LEU A 39 8.281 -3.951 -1.202 1.00 0.00 C ATOM 550 CD2 LEU A 39 6.319 -5.446 -0.913 1.00 0.00 C ATOM 0 H LEU A 39 10.503 -7.274 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 39 10.308 -5.420 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.626 -6.505 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.125 -7.361 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 39 7.904 -5.148 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.667 -3.115 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.320 -3.773 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.206 -4.045 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.741 -4.576 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.230 -5.572 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.937 -6.335 -0.411 1.00 0.00 H new ATOM 562 N LYS A 40 9.671 -7.008 1.853 1.00 0.00 N ATOM 563 CA LYS A 40 9.545 -7.846 3.030 1.00 0.00 C ATOM 564 C LYS A 40 8.133 -7.658 3.565 1.00 0.00 C ATOM 565 O LYS A 40 7.695 -6.512 3.693 1.00 0.00 O ATOM 566 CB LYS A 40 10.624 -7.460 4.048 1.00 0.00 C ATOM 567 CG LYS A 40 10.585 -8.408 5.248 1.00 0.00 C ATOM 568 CD LYS A 40 11.768 -8.197 6.202 1.00 0.00 C ATOM 569 CE LYS A 40 11.382 -8.899 7.503 1.00 0.00 C ATOM 570 NZ LYS A 40 12.358 -8.741 8.594 1.00 0.00 N ATOM 0 H LYS A 40 9.309 -6.065 1.994 1.00 0.00 H new ATOM 0 HA LYS A 40 9.697 -8.901 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.607 -7.497 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.469 -6.434 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.652 -8.261 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.588 -9.439 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.684 -8.617 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.951 -7.136 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.418 -8.515 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.249 -9.962 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.020 -9.246 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.275 -9.133 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.469 -7.731 8.817 1.00 0.00 H new ATOM 584 N ASP A 41 7.423 -8.754 3.825 1.00 0.00 N ATOM 585 CA ASP A 41 6.093 -8.697 4.421 1.00 0.00 C ATOM 586 C ASP A 41 6.217 -8.595 5.932 1.00 0.00 C ATOM 587 O ASP A 41 6.920 -9.401 6.542 1.00 0.00 O ATOM 588 CB ASP A 41 5.229 -9.911 4.065 1.00 0.00 C ATOM 589 CG ASP A 41 3.755 -9.531 4.216 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.322 -9.217 5.348 1.00 0.00 O ATOM 591 OD2 ASP A 41 3.052 -9.473 3.181 1.00 0.00 O ATOM 0 H ASP A 41 7.752 -9.700 3.630 1.00 0.00 H new ATOM 0 HA ASP A 41 5.598 -7.816 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.433 -10.232 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.471 -10.750 4.717 1.00 0.00 H new ATOM 596 N GLY A 42 5.539 -7.640 6.563 1.00 0.00 N ATOM 597 CA GLY A 42 5.564 -7.481 8.006 1.00 0.00 C ATOM 598 C GLY A 42 4.927 -8.658 8.748 1.00 0.00 C ATOM 599 O GLY A 42 5.272 -8.865 9.917 1.00 0.00 O ATOM 0 H GLY A 42 4.956 -6.955 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.597 -7.367 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.040 -6.563 8.274 1.00 0.00 H new ATOM 603 N ALA A 43 4.036 -9.427 8.105 1.00 0.00 N ATOM 604 CA ALA A 43 3.292 -10.530 8.706 1.00 0.00 C ATOM 605 C ALA A 43 4.237 -11.566 9.311 1.00 0.00 C ATOM 606 O ALA A 43 4.216 -11.778 10.522 1.00 0.00 O ATOM 607 CB ALA A 43 2.363 -11.167 7.667 1.00 0.00 C ATOM 0 H ALA A 43 3.810 -9.289 7.120 1.00 0.00 H new ATOM 0 HA ALA A 43 2.681 -10.134 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.813 -11.989 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.660 -10.419 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.955 -11.547 6.834 1.00 0.00 H new ATOM 613 N THR A 44 5.091 -12.186 8.498 1.00 0.00 N ATOM 614 CA THR A 44 6.018 -13.239 8.926 1.00 0.00 C ATOM 615 C THR A 44 7.458 -12.897 8.532 1.00 0.00 C ATOM 616 O THR A 44 8.371 -13.711 8.665 1.00 0.00 O ATOM 617 CB THR A 44 5.523 -14.630 8.460 1.00 0.00 C ATOM 618 OG1 THR A 44 4.820 -14.602 7.228 1.00 0.00 O ATOM 619 CG2 THR A 44 4.541 -15.171 9.496 1.00 0.00 C ATOM 0 H THR A 44 5.161 -11.968 7.504 1.00 0.00 H new ATOM 0 HA THR A 44 6.033 -13.294 10.015 1.00 0.00 H new ATOM 0 HB THR A 44 6.415 -15.244 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.050 -15.396 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.183 -16.151 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.042 -15.260 10.460 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.696 -14.489 9.587 1.00 0.00 H new ATOM 627 N GLY A 45 7.695 -11.660 8.090 1.00 0.00 N ATOM 628 CA GLY A 45 9.012 -11.178 7.736 1.00 0.00 C ATOM 629 C GLY A 45 9.511 -11.812 6.445 1.00 0.00 C ATOM 630 O GLY A 45 10.720 -11.971 6.288 1.00 0.00 O ATOM 0 H GLY A 45 6.960 -10.963 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.986 -10.094 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.710 -11.398 8.544 1.00 0.00 H new ATOM 634 N GLU A 46 8.607 -12.278 5.587 1.00 0.00 N ATOM 635 CA GLU A 46 8.939 -13.061 4.406 1.00 0.00 C ATOM 636 C GLU A 46 9.514 -12.114 3.368 1.00 0.00 C ATOM 637 O GLU A 46 8.881 -11.108 3.040 1.00 0.00 O ATOM 638 CB GLU A 46 7.696 -13.797 3.872 1.00 0.00 C ATOM 639 CG GLU A 46 7.162 -14.735 4.962 1.00 0.00 C ATOM 640 CD GLU A 46 6.048 -15.707 4.561 1.00 0.00 C ATOM 641 OE1 GLU A 46 5.567 -15.711 3.401 1.00 0.00 O ATOM 642 OE2 GLU A 46 5.621 -16.472 5.451 1.00 0.00 O ATOM 0 H GLU A 46 7.606 -12.118 5.698 1.00 0.00 H new ATOM 0 HA GLU A 46 9.674 -13.827 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.928 -13.079 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.951 -14.366 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.999 -15.319 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.796 -14.123 5.786 1.00 0.00 H new ATOM 649 N SER A 47 10.710 -12.410 2.869 1.00 0.00 N ATOM 650 CA SER A 47 11.215 -11.765 1.672 1.00 0.00 C ATOM 651 C SER A 47 10.300 -12.172 0.518 1.00 0.00 C ATOM 652 O SER A 47 10.002 -13.353 0.322 1.00 0.00 O ATOM 653 CB SER A 47 12.661 -12.177 1.400 1.00 0.00 C ATOM 654 OG SER A 47 13.450 -12.015 2.565 1.00 0.00 O ATOM 0 H SER A 47 11.345 -13.094 3.279 1.00 0.00 H new ATOM 0 HA SER A 47 11.216 -10.682 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.694 -13.216 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.071 -11.574 0.589 1.00 0.00 H new ATOM 0 HG SER A 47 14.373 -12.285 2.375 1.00 0.00 H new ATOM 660 N LEU A 48 9.832 -11.182 -0.226 1.00 0.00 N ATOM 661 CA LEU A 48 8.938 -11.323 -1.368 1.00 0.00 C ATOM 662 C LEU A 48 9.735 -11.056 -2.631 1.00 0.00 C ATOM 663 O LEU A 48 10.963 -11.104 -2.618 1.00 0.00 O ATOM 664 CB LEU A 48 7.742 -10.370 -1.235 1.00 0.00 C ATOM 665 CG LEU A 48 7.019 -10.416 0.121 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.822 -9.473 0.031 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.580 -11.843 0.462 1.00 0.00 C ATOM 0 H LEU A 48 10.077 -10.209 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 48 8.531 -12.333 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.088 -9.351 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.023 -10.602 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 48 7.688 -10.099 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.282 -9.479 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.170 -8.462 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.158 -9.804 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.071 -11.847 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.901 -12.209 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.455 -12.491 0.511 1.00 0.00 H new ATOM 679 N ALA A 49 9.058 -10.817 -3.748 1.00 0.00 N ATOM 680 CA ALA A 49 9.715 -10.420 -4.984 1.00 0.00 C ATOM 681 C ALA A 49 8.895 -9.360 -5.709 1.00 0.00 C ATOM 682 O ALA A 49 7.928 -9.684 -6.389 1.00 0.00 O ATOM 683 CB ALA A 49 9.946 -11.651 -5.843 1.00 0.00 C ATOM 0 H ALA A 49 8.043 -10.893 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 49 10.683 -9.972 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.438 -11.360 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.577 -12.358 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.989 -12.120 -6.072 1.00 0.00 H new ATOM 689 N SER A 50 9.262 -8.089 -5.545 1.00 0.00 N ATOM 690 CA SER A 50 8.598 -6.986 -6.221 1.00 0.00 C ATOM 691 C SER A 50 8.958 -6.932 -7.714 1.00 0.00 C ATOM 692 O SER A 50 9.857 -7.662 -8.148 1.00 0.00 O ATOM 693 CB SER A 50 8.933 -5.695 -5.471 1.00 0.00 C ATOM 694 OG SER A 50 8.071 -5.605 -4.361 1.00 0.00 O ATOM 0 H SER A 50 10.029 -7.800 -4.938 1.00 0.00 H new ATOM 0 HA SER A 50 7.518 -7.129 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.974 -5.701 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.807 -4.831 -6.123 1.00 0.00 H new ATOM 0 HG SER A 50 7.655 -4.718 -4.341 1.00 0.00 H new ATOM 700 N PRO A 51 8.246 -6.121 -8.522 1.00 0.00 N ATOM 701 CA PRO A 51 6.946 -5.527 -8.197 1.00 0.00 C ATOM 702 C PRO A 51 5.900 -6.628 -7.955 1.00 0.00 C ATOM 703 O PRO A 51 6.008 -7.715 -8.536 1.00 0.00 O ATOM 704 CB PRO A 51 6.600 -4.640 -9.397 1.00 0.00 C ATOM 705 CG PRO A 51 7.347 -5.269 -10.568 1.00 0.00 C ATOM 706 CD PRO A 51 8.590 -5.874 -9.917 1.00 0.00 C ATOM 0 HA PRO A 51 6.967 -4.940 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.525 -4.619 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.916 -3.610 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.745 -6.029 -11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.610 -4.526 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.878 -6.800 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.438 -5.194 -9.993 1.00 0.00 H new ATOM 714 N VAL A 52 4.915 -6.369 -7.088 1.00 0.00 N ATOM 715 CA VAL A 52 3.845 -7.313 -6.745 1.00 0.00 C ATOM 716 C VAL A 52 2.520 -6.607 -6.939 1.00 0.00 C ATOM 717 O VAL A 52 2.413 -5.392 -6.754 1.00 0.00 O ATOM 718 CB VAL A 52 3.940 -7.867 -5.294 1.00 0.00 C ATOM 719 CG1 VAL A 52 2.990 -9.053 -5.039 1.00 0.00 C ATOM 720 CG2 VAL A 52 5.339 -8.363 -4.955 1.00 0.00 C ATOM 0 H VAL A 52 4.838 -5.479 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 52 3.943 -8.178 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 52 3.663 -7.018 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.103 -9.395 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.960 -8.737 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.234 -9.868 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.354 -8.740 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.617 -9.164 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.049 -7.541 -5.049 1.00 0.00 H new ATOM 730 N ILE A 53 1.502 -7.395 -7.252 1.00 0.00 N ATOM 731 CA ILE A 53 0.121 -6.967 -7.277 1.00 0.00 C ATOM 732 C ILE A 53 -0.612 -7.708 -6.177 1.00 0.00 C ATOM 733 O ILE A 53 -0.494 -8.928 -6.067 1.00 0.00 O ATOM 734 CB ILE A 53 -0.492 -7.244 -8.658 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.331 -6.616 -9.799 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.941 -6.742 -8.699 1.00 0.00 C ATOM 737 CD1 ILE A 53 0.771 -5.172 -9.568 1.00 0.00 C ATOM 0 H ILE A 53 1.623 -8.377 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 53 0.041 -5.894 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.479 -8.323 -8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.219 -7.227 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.258 -6.657 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.368 -6.942 -9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.526 -7.257 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.960 -5.669 -8.507 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.343 -4.824 -10.428 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.108 -4.540 -9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.392 -5.120 -8.674 1.00 0.00 H new ATOM 749 N LEU A 54 -1.387 -6.967 -5.393 1.00 0.00 N ATOM 750 CA LEU A 54 -2.312 -7.525 -4.427 1.00 0.00 C ATOM 751 C LEU A 54 -3.731 -7.371 -4.957 1.00 0.00 C ATOM 752 O LEU A 54 -4.055 -6.454 -5.725 1.00 0.00 O ATOM 753 CB LEU A 54 -2.120 -6.836 -3.061 1.00 0.00 C ATOM 754 CG LEU A 54 -1.472 -7.677 -1.939 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.464 -8.739 -2.398 1.00 0.00 C ATOM 756 CD2 LEU A 54 -0.809 -6.749 -0.926 1.00 0.00 C ATOM 0 H LEU A 54 -1.387 -5.947 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.119 -8.588 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.510 -5.946 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.096 -6.498 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.294 -8.240 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.072 -9.268 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.959 -9.448 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.357 -8.256 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.352 -7.342 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.042 -6.155 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.559 -6.085 -0.495 1.00 0.00 H new ATOM 768 N SER A 55 -4.579 -8.271 -4.486 1.00 0.00 N ATOM 769 CA SER A 55 -5.990 -8.407 -4.789 1.00 0.00 C ATOM 770 C SER A 55 -6.738 -8.528 -3.462 1.00 0.00 C ATOM 771 O SER A 55 -6.137 -8.433 -2.387 1.00 0.00 O ATOM 772 CB SER A 55 -6.213 -9.616 -5.716 1.00 0.00 C ATOM 773 OG SER A 55 -5.175 -10.577 -5.648 1.00 0.00 O ATOM 0 H SER A 55 -4.269 -8.984 -3.826 1.00 0.00 H new ATOM 0 HA SER A 55 -6.372 -7.538 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.158 -10.094 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.305 -9.264 -6.744 1.00 0.00 H new ATOM 0 HG SER A 55 -5.375 -11.319 -6.256 1.00 0.00 H new ATOM 779 N ASP A 56 -8.055 -8.705 -3.523 1.00 0.00 N ATOM 780 CA ASP A 56 -8.916 -8.668 -2.339 1.00 0.00 C ATOM 781 C ASP A 56 -8.557 -9.751 -1.328 1.00 0.00 C ATOM 782 O ASP A 56 -8.404 -9.462 -0.141 1.00 0.00 O ATOM 783 CB ASP A 56 -10.390 -8.754 -2.748 1.00 0.00 C ATOM 784 CG ASP A 56 -11.368 -8.586 -1.577 1.00 0.00 C ATOM 785 OD1 ASP A 56 -11.050 -7.899 -0.576 1.00 0.00 O ATOM 786 OD2 ASP A 56 -12.511 -9.072 -1.722 1.00 0.00 O ATOM 0 H ASP A 56 -8.558 -8.878 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.749 -7.713 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.596 -7.987 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.570 -9.718 -3.224 1.00 0.00 H new ATOM 791 N GLU A 57 -8.316 -10.970 -1.815 1.00 0.00 N ATOM 792 CA GLU A 57 -7.960 -12.115 -0.983 1.00 0.00 C ATOM 793 C GLU A 57 -6.646 -11.869 -0.260 1.00 0.00 C ATOM 794 O GLU A 57 -6.428 -12.377 0.841 1.00 0.00 O ATOM 795 CB GLU A 57 -7.779 -13.350 -1.868 1.00 0.00 C ATOM 796 CG GLU A 57 -9.103 -13.995 -2.261 1.00 0.00 C ATOM 797 CD GLU A 57 -8.820 -15.169 -3.186 1.00 0.00 C ATOM 798 OE1 GLU A 57 -8.582 -16.302 -2.703 1.00 0.00 O ATOM 799 OE2 GLU A 57 -8.808 -14.969 -4.418 1.00 0.00 O ATOM 0 H GLU A 57 -8.364 -11.189 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.758 -12.265 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.236 -13.068 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.166 -14.082 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.636 -14.334 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.744 -13.268 -2.759 1.00 0.00 H new ATOM 806 N GLU A 58 -5.756 -11.107 -0.885 1.00 0.00 N ATOM 807 CA GLU A 58 -4.423 -10.903 -0.376 1.00 0.00 C ATOM 808 C GLU A 58 -4.424 -9.793 0.680 1.00 0.00 C ATOM 809 O GLU A 58 -3.487 -9.731 1.474 1.00 0.00 O ATOM 810 CB GLU A 58 -3.468 -10.587 -1.535 1.00 0.00 C ATOM 811 CG GLU A 58 -3.546 -11.534 -2.740 1.00 0.00 C ATOM 812 CD GLU A 58 -3.445 -13.019 -2.375 1.00 0.00 C ATOM 813 OE1 GLU A 58 -2.319 -13.546 -2.198 1.00 0.00 O ATOM 814 OE2 GLU A 58 -4.482 -13.694 -2.194 1.00 0.00 O ATOM 0 H GLU A 58 -5.947 -10.617 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.073 -11.815 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.668 -9.573 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.447 -10.598 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.487 -11.362 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.744 -11.286 -3.436 1.00 0.00 H new ATOM 821 N LEU A 59 -5.467 -8.952 0.725 1.00 0.00 N ATOM 822 CA LEU A 59 -5.533 -7.706 1.492 1.00 0.00 C ATOM 823 C LEU A 59 -6.565 -7.726 2.619 1.00 0.00 C ATOM 824 O LEU A 59 -6.762 -6.700 3.263 1.00 0.00 O ATOM 825 CB LEU A 59 -5.796 -6.533 0.530 1.00 0.00 C ATOM 826 CG LEU A 59 -4.497 -5.904 0.015 1.00 0.00 C ATOM 827 CD1 LEU A 59 -4.808 -5.017 -1.189 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.807 -5.051 1.092 1.00 0.00 C ATOM 0 H LEU A 59 -6.325 -9.133 0.203 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.569 -7.583 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.388 -6.884 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.388 -5.773 1.040 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.823 -6.715 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.886 -4.568 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.259 -5.619 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.501 -4.230 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.890 -4.624 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.475 -4.248 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.566 -5.676 1.952 1.00 0.00 H new ATOM 840 N ALA A 60 -7.205 -8.863 2.888 1.00 0.00 N ATOM 841 CA ALA A 60 -8.253 -9.105 3.884 1.00 0.00 C ATOM 842 C ALA A 60 -7.777 -8.998 5.353 1.00 0.00 C ATOM 843 O ALA A 60 -8.213 -9.760 6.217 1.00 0.00 O ATOM 844 CB ALA A 60 -8.846 -10.486 3.574 1.00 0.00 C ATOM 0 H ALA A 60 -6.986 -9.714 2.370 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.004 -8.319 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.634 -10.713 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.262 -10.486 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.064 -11.242 3.643 1.00 0.00 H new ATOM 850 N VAL A 61 -6.836 -8.107 5.643 1.00 0.00 N ATOM 851 CA VAL A 61 -6.221 -7.845 6.943 1.00 0.00 C ATOM 852 C VAL A 61 -6.838 -6.592 7.583 1.00 0.00 C ATOM 853 O VAL A 61 -7.628 -5.901 6.944 1.00 0.00 O ATOM 854 CB VAL A 61 -4.698 -7.695 6.742 1.00 0.00 C ATOM 855 CG1 VAL A 61 -4.088 -9.028 6.289 1.00 0.00 C ATOM 856 CG2 VAL A 61 -4.325 -6.571 5.756 1.00 0.00 C ATOM 0 H VAL A 61 -6.452 -7.500 4.919 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.407 -8.675 7.625 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.281 -7.411 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.013 -8.908 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.274 -9.789 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.543 -9.335 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.241 -6.517 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.767 -6.780 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.703 -5.619 6.129 1.00 0.00 H new ATOM 866 N GLU A 62 -6.458 -6.256 8.824 1.00 0.00 N ATOM 867 CA GLU A 62 -6.734 -4.924 9.371 1.00 0.00 C ATOM 868 C GLU A 62 -5.541 -3.979 9.189 1.00 0.00 C ATOM 869 O GLU A 62 -5.763 -2.785 9.026 1.00 0.00 O ATOM 870 CB GLU A 62 -7.210 -4.958 10.831 1.00 0.00 C ATOM 871 CG GLU A 62 -6.210 -5.564 11.822 1.00 0.00 C ATOM 872 CD GLU A 62 -6.485 -5.167 13.275 1.00 0.00 C ATOM 873 OE1 GLU A 62 -7.654 -4.994 13.678 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.500 -5.012 14.043 1.00 0.00 O ATOM 0 H GLU A 62 -5.964 -6.882 9.460 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.566 -4.526 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.441 -3.940 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.139 -5.526 10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.238 -6.650 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.203 -5.249 11.550 1.00 0.00 H new ATOM 881 N LYS A 63 -4.290 -4.470 9.193 1.00 0.00 N ATOM 882 CA LYS A 63 -3.076 -3.687 8.967 1.00 0.00 C ATOM 883 C LYS A 63 -1.959 -4.617 8.496 1.00 0.00 C ATOM 884 O LYS A 63 -1.799 -5.681 9.102 1.00 0.00 O ATOM 885 CB LYS A 63 -2.699 -2.985 10.278 1.00 0.00 C ATOM 886 CG LYS A 63 -1.438 -2.138 10.085 1.00 0.00 C ATOM 887 CD LYS A 63 -1.147 -1.292 11.313 1.00 0.00 C ATOM 888 CE LYS A 63 0.328 -0.885 11.208 1.00 0.00 C ATOM 889 NZ LYS A 63 0.738 0.147 12.174 1.00 0.00 N ATOM 0 H LYS A 63 -4.096 -5.457 9.360 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.237 -2.933 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.523 -2.353 10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.531 -3.726 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.588 -2.789 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.561 -1.491 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.792 -0.414 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.332 -1.856 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.949 -1.769 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.522 -0.521 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.745 0.367 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.173 1.007 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.586 -0.203 13.141 1.00 0.00 H new ATOM 903 N VAL A 64 -1.137 -4.215 7.519 1.00 0.00 N ATOM 904 CA VAL A 64 0.160 -4.830 7.245 1.00 0.00 C ATOM 905 C VAL A 64 1.188 -3.716 7.011 1.00 0.00 C ATOM 906 O VAL A 64 0.967 -2.809 6.207 1.00 0.00 O ATOM 907 CB VAL A 64 0.060 -5.820 6.054 1.00 0.00 C ATOM 908 CG1 VAL A 64 1.435 -6.200 5.489 1.00 0.00 C ATOM 909 CG2 VAL A 64 -0.619 -7.145 6.433 1.00 0.00 C ATOM 0 H VAL A 64 -1.360 -3.443 6.891 1.00 0.00 H new ATOM 0 HA VAL A 64 0.488 -5.423 8.098 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.533 -5.280 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.308 -6.894 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.945 -5.303 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.031 -6.673 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.660 -7.796 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.048 -7.633 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.631 -6.947 6.786 1.00 0.00 H new ATOM 919 N THR A 65 2.341 -3.780 7.676 1.00 0.00 N ATOM 920 CA THR A 65 3.546 -3.088 7.226 1.00 0.00 C ATOM 921 C THR A 65 4.169 -3.894 6.090 1.00 0.00 C ATOM 922 O THR A 65 4.264 -5.117 6.180 1.00 0.00 O ATOM 923 CB THR A 65 4.548 -2.961 8.392 1.00 0.00 C ATOM 924 OG1 THR A 65 3.929 -2.445 9.558 1.00 0.00 O ATOM 925 CG2 THR A 65 5.739 -2.064 8.048 1.00 0.00 C ATOM 0 H THR A 65 2.465 -4.311 8.538 1.00 0.00 H new ATOM 0 HA THR A 65 3.292 -2.087 6.878 1.00 0.00 H new ATOM 0 HB THR A 65 4.907 -3.973 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.591 -2.379 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.412 -2.010 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.272 -2.479 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.382 -1.064 7.803 1.00 0.00 H new ATOM 933 N LEU A 66 4.640 -3.208 5.053 1.00 0.00 N ATOM 934 CA LEU A 66 5.484 -3.754 4.008 1.00 0.00 C ATOM 935 C LEU A 66 6.712 -2.879 3.946 1.00 0.00 C ATOM 936 O LEU A 66 6.606 -1.650 3.998 1.00 0.00 O ATOM 937 CB LEU A 66 4.797 -3.717 2.646 1.00 0.00 C ATOM 938 CG LEU A 66 3.632 -4.699 2.491 1.00 0.00 C ATOM 939 CD1 LEU A 66 3.045 -4.453 1.115 1.00 0.00 C ATOM 940 CD2 LEU A 66 4.053 -6.158 2.647 1.00 0.00 C ATOM 0 H LEU A 66 4.433 -2.218 4.917 1.00 0.00 H new ATOM 0 HA LEU A 66 5.716 -4.795 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.429 -2.707 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.538 -3.928 1.875 1.00 0.00 H new ATOM 0 HG LEU A 66 2.902 -4.528 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.206 -5.130 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.698 -3.422 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.808 -4.630 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.182 -6.803 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.796 -6.405 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.482 -6.309 3.638 1.00 0.00 H new ATOM 952 N SER A 67 7.868 -3.503 3.807 1.00 0.00 N ATOM 953 CA SER A 67 9.137 -2.808 3.886 1.00 0.00 C ATOM 954 C SER A 67 10.105 -3.385 2.866 1.00 0.00 C ATOM 955 O SER A 67 9.719 -4.210 2.038 1.00 0.00 O ATOM 956 CB SER A 67 9.676 -2.817 5.326 1.00 0.00 C ATOM 957 OG SER A 67 8.843 -3.454 6.285 1.00 0.00 O ATOM 0 H SER A 67 7.952 -4.505 3.636 1.00 0.00 H new ATOM 0 HA SER A 67 9.001 -1.757 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.648 -3.311 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.841 -1.786 5.641 1.00 0.00 H new ATOM 0 HG SER A 67 9.268 -3.411 7.167 1.00 0.00 H new ATOM 963 N THR A 68 11.353 -2.930 2.885 1.00 0.00 N ATOM 964 CA THR A 68 12.364 -3.401 1.961 1.00 0.00 C ATOM 965 C THR A 68 13.431 -4.206 2.687 1.00 0.00 C ATOM 966 O THR A 68 13.792 -3.938 3.836 1.00 0.00 O ATOM 967 CB THR A 68 12.950 -2.227 1.174 1.00 0.00 C ATOM 968 OG1 THR A 68 12.983 -1.006 1.900 1.00 0.00 O ATOM 969 CG2 THR A 68 12.106 -1.999 -0.077 1.00 0.00 C ATOM 0 H THR A 68 11.686 -2.225 3.543 1.00 0.00 H new ATOM 0 HA THR A 68 11.901 -4.076 1.241 1.00 0.00 H new ATOM 0 HB THR A 68 13.980 -2.499 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.068 -0.691 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.516 -1.164 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.119 -2.898 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.080 -1.772 0.213 1.00 0.00 H new ATOM 977 N THR A 69 13.960 -5.204 1.986 1.00 0.00 N ATOM 978 CA THR A 69 15.039 -6.042 2.487 1.00 0.00 C ATOM 979 C THR A 69 16.385 -5.307 2.496 1.00 0.00 C ATOM 980 O THR A 69 17.301 -5.660 3.247 1.00 0.00 O ATOM 981 CB THR A 69 15.124 -7.326 1.640 1.00 0.00 C ATOM 982 OG1 THR A 69 15.155 -6.990 0.258 1.00 0.00 O ATOM 983 CG2 THR A 69 13.947 -8.270 1.906 1.00 0.00 C ATOM 0 H THR A 69 13.648 -5.454 1.048 1.00 0.00 H new ATOM 0 HA THR A 69 14.816 -6.300 3.522 1.00 0.00 H new ATOM 0 HB THR A 69 16.040 -7.844 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.253 -6.749 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.049 -9.162 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.941 -8.557 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.013 -7.764 1.663 1.00 0.00 H new ATOM 991 N GLY A 70 16.529 -4.274 1.674 1.00 0.00 N ATOM 992 CA GLY A 70 17.796 -3.616 1.429 1.00 0.00 C ATOM 993 C GLY A 70 17.581 -2.186 0.977 1.00 0.00 C ATOM 994 O GLY A 70 16.497 -1.622 1.129 1.00 0.00 O ATOM 0 H GLY A 70 15.752 -3.867 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.399 -3.628 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.354 -4.163 0.669 1.00 0.00 H new ATOM 998 N LYS A 71 18.632 -1.581 0.435 1.00 0.00 N ATOM 999 CA LYS A 71 18.511 -0.318 -0.268 1.00 0.00 C ATOM 1000 C LYS A 71 17.526 -0.480 -1.412 1.00 0.00 C ATOM 1001 O LYS A 71 17.603 -1.461 -2.147 1.00 0.00 O ATOM 1002 CB LYS A 71 19.880 0.131 -0.782 1.00 0.00 C ATOM 1003 CG LYS A 71 19.837 1.555 -1.341 1.00 0.00 C ATOM 1004 CD LYS A 71 21.186 1.938 -1.943 1.00 0.00 C ATOM 1005 CE LYS A 71 21.328 3.441 -1.857 1.00 0.00 C ATOM 1006 NZ LYS A 71 22.730 3.862 -2.068 1.00 0.00 N ATOM 0 H LYS A 71 19.582 -1.951 0.472 1.00 0.00 H new ATOM 0 HA LYS A 71 18.141 0.450 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.607 0.080 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.220 -0.554 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.059 1.629 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.575 2.255 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.997 1.447 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.248 1.608 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.689 3.912 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.986 3.785 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.795 4.898 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.335 3.431 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.047 3.554 -3.009 1.00 0.00 H new ATOM 1020 N ALA A 72 16.638 0.492 -1.571 1.00 0.00 N ATOM 1021 CA ALA A 72 15.706 0.535 -2.675 1.00 0.00 C ATOM 1022 C ALA A 72 15.638 1.953 -3.209 1.00 0.00 C ATOM 1023 O ALA A 72 16.082 2.887 -2.537 1.00 0.00 O ATOM 1024 CB ALA A 72 14.340 0.043 -2.221 1.00 0.00 C ATOM 0 H ALA A 72 16.548 1.278 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 72 16.043 -0.122 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.644 0.079 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.424 -0.983 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.973 0.680 -1.417 1.00 0.00 H new ATOM 1030 N ILE A 73 15.141 2.101 -4.432 1.00 0.00 N ATOM 1031 CA ILE A 73 15.305 3.312 -5.226 1.00 0.00 C ATOM 1032 C ILE A 73 13.944 3.790 -5.736 1.00 0.00 C ATOM 1033 O ILE A 73 13.875 4.868 -6.309 1.00 0.00 O ATOM 1034 CB ILE A 73 16.263 3.073 -6.424 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.280 1.918 -6.286 1.00 0.00 C ATOM 1036 CG2 ILE A 73 17.025 4.370 -6.748 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.363 2.043 -5.217 1.00 0.00 C ATOM 0 H ILE A 73 14.606 1.373 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 73 15.744 4.079 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 73 15.598 2.764 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.722 1.002 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.774 1.791 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.696 4.197 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.314 5.155 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.605 4.678 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.000 1.159 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.966 2.930 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 73 17.897 2.129 -4.235 1.00 0.00 H new ATOM 1049 N GLU A 74 12.870 3.013 -5.556 1.00 0.00 N ATOM 1050 CA GLU A 74 11.520 3.408 -5.936 1.00 0.00 C ATOM 1051 C GLU A 74 10.550 2.838 -4.907 1.00 0.00 C ATOM 1052 O GLU A 74 10.799 1.748 -4.384 1.00 0.00 O ATOM 1053 CB GLU A 74 11.153 2.862 -7.332 1.00 0.00 C ATOM 1054 CG GLU A 74 11.930 3.587 -8.435 1.00 0.00 C ATOM 1055 CD GLU A 74 11.622 3.059 -9.841 1.00 0.00 C ATOM 1056 OE1 GLU A 74 10.475 3.137 -10.339 1.00 0.00 O ATOM 1057 OE2 GLU A 74 12.560 2.527 -10.481 1.00 0.00 O ATOM 0 H GLU A 74 12.920 2.084 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 74 11.463 4.496 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.367 1.794 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.083 2.979 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.697 4.651 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.998 3.487 -8.243 1.00 0.00 H new ATOM 1064 N PHE A 75 9.425 3.516 -4.692 1.00 0.00 N ATOM 1065 CA PHE A 75 8.177 2.946 -4.184 1.00 0.00 C ATOM 1066 C PHE A 75 7.063 3.571 -5.020 1.00 0.00 C ATOM 1067 O PHE A 75 7.245 4.644 -5.591 1.00 0.00 O ATOM 1068 CB PHE A 75 7.992 3.195 -2.657 1.00 0.00 C ATOM 1069 CG PHE A 75 7.851 1.980 -1.733 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.371 0.725 -2.101 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.254 2.096 -0.455 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.310 -0.378 -1.239 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.187 0.987 0.404 1.00 0.00 C ATOM 1074 CZ PHE A 75 7.713 -0.255 0.023 1.00 0.00 C ATOM 0 H PHE A 75 9.354 4.517 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 75 8.172 1.860 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.844 3.779 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.106 3.816 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.829 0.609 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.847 3.045 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.724 -1.326 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.723 1.093 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.659 -1.102 0.690 1.00 0.00 H new ATOM 1084 N ALA A 76 5.906 2.926 -5.127 1.00 0.00 N ATOM 1085 CA ALA A 76 4.759 3.508 -5.808 1.00 0.00 C ATOM 1086 C ALA A 76 3.499 2.825 -5.313 1.00 0.00 C ATOM 1087 O ALA A 76 3.550 1.650 -4.938 1.00 0.00 O ATOM 1088 CB ALA A 76 4.902 3.339 -7.325 1.00 0.00 C ATOM 0 H ALA A 76 5.739 1.994 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 76 4.703 4.575 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.038 3.778 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.809 3.840 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.961 2.278 -7.569 1.00 0.00 H new ATOM 1094 N VAL A 77 2.376 3.544 -5.358 1.00 0.00 N ATOM 1095 CA VAL A 77 1.077 3.043 -4.942 1.00 0.00 C ATOM 1096 C VAL A 77 0.021 3.601 -5.896 1.00 0.00 C ATOM 1097 O VAL A 77 -0.362 4.771 -5.799 1.00 0.00 O ATOM 1098 CB VAL A 77 0.784 3.392 -3.465 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -0.581 2.833 -3.054 1.00 0.00 C ATOM 1100 CG2 VAL A 77 1.817 2.797 -2.501 1.00 0.00 C ATOM 0 H VAL A 77 2.350 4.508 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 77 1.061 1.954 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 77 0.815 4.480 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.778 3.084 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.357 3.267 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.581 1.749 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.562 3.074 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.818 1.711 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.807 3.183 -2.745 1.00 0.00 H new ATOM 1110 N SER A 78 -0.485 2.734 -6.770 1.00 0.00 N ATOM 1111 CA SER A 78 -1.781 2.870 -7.417 1.00 0.00 C ATOM 1112 C SER A 78 -2.655 1.701 -6.967 1.00 0.00 C ATOM 1113 O SER A 78 -2.187 0.789 -6.267 1.00 0.00 O ATOM 1114 CB SER A 78 -1.588 2.961 -8.940 1.00 0.00 C ATOM 1115 OG SER A 78 -2.812 3.108 -9.634 1.00 0.00 O ATOM 0 H SER A 78 0.015 1.891 -7.054 1.00 0.00 H new ATOM 0 HA SER A 78 -2.291 3.789 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.940 3.806 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.080 2.064 -9.293 1.00 0.00 H new ATOM 0 HG SER A 78 -3.313 3.862 -9.258 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.944 1.774 -7.285 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.969 0.863 -6.824 1.00 0.00 C ATOM 1123 C GLY A 79 -6.315 1.573 -6.757 1.00 0.00 C ATOM 1124 O GLY A 79 -6.495 2.650 -7.332 1.00 0.00 O ATOM 0 H GLY A 79 -4.311 2.503 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.034 0.008 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.705 0.475 -5.840 1.00 0.00 H new ATOM 1128 N GLY A 80 -7.272 0.958 -6.074 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.580 1.504 -5.746 1.00 0.00 C ATOM 1130 C GLY A 80 -9.448 0.367 -5.212 1.00 0.00 C ATOM 1131 O GLY A 80 -9.016 -0.794 -5.221 1.00 0.00 O ATOM 0 H GLY A 80 -7.148 0.012 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.487 2.294 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.038 1.951 -6.628 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.661 0.680 -4.767 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.693 -0.297 -4.437 1.00 0.00 C ATOM 1137 C VAL A 81 -12.958 0.049 -5.227 1.00 0.00 C ATOM 1138 O VAL A 81 -13.030 1.099 -5.874 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.975 -0.371 -2.914 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -10.972 -1.192 -2.103 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -12.083 1.002 -2.257 1.00 0.00 C ATOM 0 H VAL A 81 -10.961 1.644 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.341 -1.290 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 81 -12.936 -0.885 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.259 -1.181 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.965 -2.220 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.977 -0.762 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.281 0.881 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.148 1.545 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.898 1.562 -2.716 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.493 -1.659 5.189 1.00 0.00 N ATOM 1267 CA GLU A 91 -20.968 -0.429 5.748 1.00 0.00 C ATOM 1268 C GLU A 91 -19.817 0.090 4.870 1.00 0.00 C ATOM 1269 O GLU A 91 -19.352 -0.633 3.990 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.525 -0.740 7.178 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.673 -0.486 8.147 1.00 0.00 C ATOM 1272 CD GLU A 91 -21.338 0.668 9.090 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -20.758 0.412 10.170 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -21.649 1.847 8.783 1.00 0.00 O ATOM 0 HA GLU A 91 -21.717 0.363 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.201 -1.778 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.669 -0.120 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -22.581 -0.255 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.874 -1.388 8.725 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.373 1.347 5.048 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.340 1.960 4.225 1.00 0.00 C ATOM 1283 C PRO A 92 -16.933 1.608 4.716 1.00 0.00 C ATOM 1284 O PRO A 92 -16.788 0.899 5.712 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.617 3.455 4.387 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.010 3.564 5.851 1.00 0.00 C ATOM 1287 CD PRO A 92 -19.805 2.280 6.077 1.00 0.00 C ATOM 0 HA PRO A 92 -18.370 1.619 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.738 4.057 4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.416 3.793 3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.138 3.621 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.611 4.453 6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -19.617 1.876 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -20.876 2.468 6.006 1.00 0.00 H new ATOM 1295 N MET A 93 -15.886 2.159 4.082 1.00 0.00 N ATOM 1296 CA MET A 93 -14.519 2.018 4.576 1.00 0.00 C ATOM 1297 C MET A 93 -13.673 3.274 4.412 1.00 0.00 C ATOM 1298 O MET A 93 -13.985 4.157 3.614 1.00 0.00 O ATOM 1299 CB MET A 93 -13.822 0.823 3.924 1.00 0.00 C ATOM 1300 CG MET A 93 -13.596 0.869 2.409 1.00 0.00 C ATOM 1301 SD MET A 93 -12.054 0.037 1.905 1.00 0.00 S ATOM 1302 CE MET A 93 -12.126 -1.425 2.983 1.00 0.00 C ATOM 0 H MET A 93 -15.967 2.706 3.225 1.00 0.00 H new ATOM 0 HA MET A 93 -14.611 1.846 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.851 0.698 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 93 -14.406 -0.069 4.149 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.440 0.398 1.905 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.568 1.908 2.081 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.552 -2.236 2.535 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.706 -1.179 3.958 1.00 0.00 H new ATOM 0 HE3 MET A 93 -13.163 -1.738 3.103 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.553 3.318 5.141 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.523 4.346 5.068 1.00 0.00 C ATOM 1314 C GLN A 94 -10.155 3.683 5.152 1.00 0.00 C ATOM 1315 O GLN A 94 -10.015 2.644 5.800 1.00 0.00 O ATOM 1316 CB GLN A 94 -11.686 5.350 6.219 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.792 6.358 5.918 1.00 0.00 C ATOM 1318 CD GLN A 94 -13.107 7.244 7.114 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -13.572 6.768 8.147 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -12.909 8.547 7.004 1.00 0.00 N ATOM 0 H GLN A 94 -12.334 2.599 5.831 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.617 4.884 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.917 4.816 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.745 5.876 6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.493 6.982 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.694 5.825 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.523 8.933 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.143 9.166 7.781 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.152 4.295 4.521 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.763 3.837 4.487 1.00 0.00 C ATOM 1331 C TRP A 95 -6.863 4.968 4.977 1.00 0.00 C ATOM 1332 O TRP A 95 -7.178 6.148 4.777 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.351 3.454 3.053 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.718 2.093 2.541 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.660 1.262 3.039 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.087 1.353 1.451 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -8.668 0.085 2.328 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -7.668 0.053 1.387 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -6.088 1.653 0.502 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -7.222 -0.931 0.495 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -5.667 0.686 -0.429 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -6.206 -0.612 -0.415 1.00 0.00 C ATOM 0 H TRP A 95 -9.291 5.159 3.998 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.662 2.960 5.126 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.784 4.190 2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.268 3.554 2.982 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.310 1.488 3.871 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.335 -0.672 2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.641 2.636 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.655 -1.920 0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.920 0.945 -1.164 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.839 -1.360 -1.102 1.00 0.00 H new ATOM 1353 N VAL A 96 -5.728 4.626 5.569 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.621 5.516 5.927 1.00 0.00 C ATOM 1355 C VAL A 96 -3.300 4.837 5.548 1.00 0.00 C ATOM 1356 O VAL A 96 -2.601 4.241 6.370 1.00 0.00 O ATOM 1357 CB VAL A 96 -4.721 6.020 7.390 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -4.642 4.972 8.516 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -3.671 7.109 7.661 1.00 0.00 C ATOM 0 H VAL A 96 -5.539 3.659 5.831 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.674 6.440 5.351 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.742 6.399 7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.726 5.469 9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.456 4.256 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.688 4.448 8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.758 7.449 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.673 6.702 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.836 7.949 6.987 1.00 0.00 H new ATOM 1369 N VAL A 97 -2.949 4.930 4.269 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.730 4.352 3.738 1.00 0.00 C ATOM 1371 C VAL A 97 -0.591 5.349 3.991 1.00 0.00 C ATOM 1372 O VAL A 97 -0.338 6.241 3.177 1.00 0.00 O ATOM 1373 CB VAL A 97 -1.959 3.874 2.287 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.684 4.885 1.377 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -0.653 3.374 1.654 1.00 0.00 C ATOM 0 H VAL A 97 -3.512 5.414 3.570 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.424 3.436 4.244 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.651 3.036 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.799 4.460 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.667 5.108 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.100 5.803 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.846 3.044 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.078 4.182 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.262 2.540 2.237 1.00 0.00 H new ATOM 1385 N THR A 98 0.065 5.247 5.147 1.00 0.00 N ATOM 1386 CA THR A 98 1.211 6.081 5.484 1.00 0.00 C ATOM 1387 C THR A 98 2.439 5.485 4.798 1.00 0.00 C ATOM 1388 O THR A 98 2.563 4.260 4.705 1.00 0.00 O ATOM 1389 CB THR A 98 1.435 6.169 7.011 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.669 5.235 7.759 1.00 0.00 O ATOM 1391 CG2 THR A 98 1.109 7.563 7.553 1.00 0.00 C ATOM 0 H THR A 98 -0.187 4.580 5.876 1.00 0.00 H new ATOM 0 HA THR A 98 1.029 7.099 5.139 1.00 0.00 H new ATOM 0 HB THR A 98 2.493 5.938 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.094 4.353 7.714 1.00 0.00 H new ATOM 0 HG21 THR A 98 1.279 7.584 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.750 8.300 7.070 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.065 7.799 7.346 1.00 0.00 H new ATOM 1399 N VAL A 99 3.367 6.334 4.356 1.00 0.00 N ATOM 1400 CA VAL A 99 4.597 5.908 3.696 1.00 0.00 C ATOM 1401 C VAL A 99 5.765 6.499 4.476 1.00 0.00 C ATOM 1402 O VAL A 99 5.696 7.640 4.940 1.00 0.00 O ATOM 1403 CB VAL A 99 4.618 6.302 2.204 1.00 0.00 C ATOM 1404 CG1 VAL A 99 5.706 5.495 1.478 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.268 6.045 1.512 1.00 0.00 C ATOM 0 H VAL A 99 3.283 7.346 4.448 1.00 0.00 H new ATOM 0 HA VAL A 99 4.670 4.820 3.699 1.00 0.00 H new ATOM 0 HB VAL A 99 4.825 7.371 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.722 5.772 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.677 5.709 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.492 4.430 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.334 6.338 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.022 4.985 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.490 6.629 2.004 1.00 0.00 H new ATOM 1415 N TYR A 100 6.822 5.710 4.622 1.00 0.00 N ATOM 1416 CA TYR A 100 8.005 5.932 5.423 1.00 0.00 C ATOM 1417 C TYR A 100 9.220 5.762 4.520 1.00 0.00 C ATOM 1418 O TYR A 100 9.235 4.928 3.612 1.00 0.00 O ATOM 1419 CB TYR A 100 8.047 4.919 6.581 1.00 0.00 C ATOM 1420 CG TYR A 100 6.944 5.066 7.615 1.00 0.00 C ATOM 1421 CD1 TYR A 100 5.637 4.604 7.355 1.00 0.00 C ATOM 1422 CD2 TYR A 100 7.235 5.644 8.862 1.00 0.00 C ATOM 1423 CE1 TYR A 100 4.615 4.786 8.306 1.00 0.00 C ATOM 1424 CE2 TYR A 100 6.211 5.881 9.791 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.892 5.468 9.512 1.00 0.00 C ATOM 1426 OH TYR A 100 3.925 5.720 10.437 1.00 0.00 O ATOM 0 H TYR A 100 6.871 4.816 4.134 1.00 0.00 H new ATOM 0 HA TYR A 100 7.998 6.934 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.999 3.913 6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.009 5.009 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.419 4.108 6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.253 5.907 9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.623 4.406 8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.433 6.381 10.722 1.00 0.00 H new ATOM 0 HH TYR A 100 4.316 6.198 11.197 1.00 0.00 H new ATOM 1436 N LYS A 101 10.248 6.555 4.798 1.00 0.00 N ATOM 1437 CA LYS A 101 11.569 6.446 4.205 1.00 0.00 C ATOM 1438 C LYS A 101 12.535 6.042 5.308 1.00 0.00 C ATOM 1439 O LYS A 101 12.103 5.803 6.435 1.00 0.00 O ATOM 1440 CB LYS A 101 11.937 7.777 3.511 1.00 0.00 C ATOM 1441 CG LYS A 101 12.538 7.495 2.129 1.00 0.00 C ATOM 1442 CD LYS A 101 12.320 8.608 1.105 1.00 0.00 C ATOM 1443 CE LYS A 101 13.422 9.672 1.074 1.00 0.00 C ATOM 1444 NZ LYS A 101 12.973 11.011 1.500 1.00 0.00 N ATOM 0 H LYS A 101 10.178 7.320 5.469 1.00 0.00 H new ATOM 0 HA LYS A 101 11.610 5.684 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.050 8.403 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.650 8.331 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.609 7.325 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.108 6.572 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.237 8.161 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.368 9.096 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.241 9.352 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.821 9.738 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.771 11.676 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.212 11.338 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.619 10.964 2.477 1.00 0.00 H new ATOM 1458 N ASN A 102 13.824 6.002 4.962 1.00 0.00 N ATOM 1459 CA ASN A 102 14.991 5.722 5.804 1.00 0.00 C ATOM 1460 C ASN A 102 15.048 6.602 7.069 1.00 0.00 C ATOM 1461 O ASN A 102 15.886 7.495 7.197 1.00 0.00 O ATOM 1462 CB ASN A 102 16.298 5.756 4.965 1.00 0.00 C ATOM 1463 CG ASN A 102 16.848 7.128 4.570 1.00 0.00 C ATOM 1464 OD1 ASN A 102 17.863 7.594 5.084 1.00 0.00 O ATOM 1465 ND2 ASN A 102 16.250 7.783 3.586 1.00 0.00 N ATOM 0 H ASN A 102 14.103 6.181 3.997 1.00 0.00 H new ATOM 0 HA ASN A 102 14.884 4.706 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 102 17.072 5.232 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.126 5.187 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.632 8.670 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.408 7.400 3.157 1.00 0.00 H new ATOM 1472 N GLY A 103 14.133 6.386 8.010 1.00 0.00 N ATOM 1473 CA GLY A 103 14.137 6.987 9.332 1.00 0.00 C ATOM 1474 C GLY A 103 12.787 7.484 9.856 1.00 0.00 C ATOM 1475 O GLY A 103 12.738 7.742 11.056 1.00 0.00 O ATOM 0 H GLY A 103 13.339 5.763 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.530 6.256 10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.831 7.827 9.323 1.00 0.00 H new ATOM 1479 N LYS A 104 11.731 7.665 9.036 1.00 0.00 N ATOM 1480 CA LYS A 104 10.364 8.043 9.447 1.00 0.00 C ATOM 1481 C LYS A 104 9.440 8.268 8.234 1.00 0.00 C ATOM 1482 O LYS A 104 9.877 8.202 7.087 1.00 0.00 O ATOM 1483 CB LYS A 104 10.365 9.308 10.340 1.00 0.00 C ATOM 1484 CG LYS A 104 9.950 9.042 11.795 1.00 0.00 C ATOM 1485 CD LYS A 104 8.480 8.620 11.965 1.00 0.00 C ATOM 1486 CE LYS A 104 7.438 9.698 11.610 1.00 0.00 C ATOM 1487 NZ LYS A 104 7.567 10.908 12.448 1.00 0.00 N ATOM 0 H LYS A 104 11.812 7.546 8.026 1.00 0.00 H new ATOM 0 HA LYS A 104 9.976 7.205 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.363 9.746 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.689 10.046 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.590 8.262 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.128 9.943 12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.297 7.743 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.324 8.315 13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.548 9.973 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.437 9.284 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.802 11.574 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.504 10.643 13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.486 11.360 12.267 1.00 0.00 H new ATOM 1501 N GLU A 105 8.166 8.570 8.519 1.00 0.00 N ATOM 1502 CA GLU A 105 7.083 8.931 7.602 1.00 0.00 C ATOM 1503 C GLU A 105 7.519 10.059 6.656 1.00 0.00 C ATOM 1504 O GLU A 105 8.304 10.929 7.050 1.00 0.00 O ATOM 1505 CB GLU A 105 5.873 9.406 8.433 1.00 0.00 C ATOM 1506 CG GLU A 105 4.542 9.442 7.656 1.00 0.00 C ATOM 1507 CD GLU A 105 3.609 10.553 8.154 1.00 0.00 C ATOM 1508 OE1 GLU A 105 2.921 10.338 9.183 1.00 0.00 O ATOM 1509 OE2 GLU A 105 3.615 11.658 7.561 1.00 0.00 O ATOM 0 H GLU A 105 7.841 8.567 9.486 1.00 0.00 H new ATOM 0 HA GLU A 105 6.821 8.060 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.759 8.749 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.082 10.404 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.746 9.590 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.041 8.479 7.753 1.00 0.00 H new ATOM 1516 N ILE A 106 6.959 10.110 5.446 1.00 0.00 N ATOM 1517 CA ILE A 106 6.969 11.275 4.581 1.00 0.00 C ATOM 1518 C ILE A 106 5.551 11.655 4.129 1.00 0.00 C ATOM 1519 O ILE A 106 5.341 12.802 3.735 1.00 0.00 O ATOM 1520 CB ILE A 106 7.899 11.003 3.385 1.00 0.00 C ATOM 1521 CG1 ILE A 106 7.413 9.797 2.539 1.00 0.00 C ATOM 1522 CG2 ILE A 106 9.362 10.901 3.866 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.185 8.487 2.666 1.00 0.00 C ATOM 0 H ILE A 106 6.473 9.313 5.035 1.00 0.00 H new ATOM 0 HA ILE A 106 7.350 12.132 5.137 1.00 0.00 H new ATOM 0 HB ILE A 106 7.860 11.848 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.373 9.601 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.427 10.095 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.013 10.708 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.655 11.837 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.453 10.085 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.734 7.735 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.222 8.646 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.152 8.144 3.700 1.00 0.00 H new ATOM 1535 N GLU A 107 4.563 10.754 4.176 1.00 0.00 N ATOM 1536 CA GLU A 107 3.255 11.001 3.580 1.00 0.00 C ATOM 1537 C GLU A 107 2.174 10.207 4.303 1.00 0.00 C ATOM 1538 O GLU A 107 2.445 9.125 4.824 1.00 0.00 O ATOM 1539 CB GLU A 107 3.315 10.596 2.099 1.00 0.00 C ATOM 1540 CG GLU A 107 2.122 11.076 1.261 1.00 0.00 C ATOM 1541 CD GLU A 107 1.889 12.570 1.460 1.00 0.00 C ATOM 1542 OE1 GLU A 107 2.630 13.363 0.825 1.00 0.00 O ATOM 1543 OE2 GLU A 107 1.029 12.896 2.309 1.00 0.00 O ATOM 0 H GLU A 107 4.651 9.842 4.625 1.00 0.00 H new ATOM 0 HA GLU A 107 3.004 12.058 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.232 10.993 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.375 9.510 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.305 10.869 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.227 10.523 1.544 1.00 0.00 H new ATOM 1550 N LYS A 108 0.947 10.735 4.286 1.00 0.00 N ATOM 1551 CA LYS A 108 -0.145 10.382 5.200 1.00 0.00 C ATOM 1552 C LYS A 108 -1.510 10.329 4.504 1.00 0.00 C ATOM 1553 O LYS A 108 -2.566 10.527 5.122 1.00 0.00 O ATOM 1554 CB LYS A 108 -0.113 11.384 6.365 1.00 0.00 C ATOM 1555 CG LYS A 108 -0.292 12.845 5.913 1.00 0.00 C ATOM 1556 CD LYS A 108 -0.174 13.802 7.097 1.00 0.00 C ATOM 1557 CE LYS A 108 -0.265 15.245 6.598 1.00 0.00 C ATOM 1558 NZ LYS A 108 -0.157 16.197 7.716 1.00 0.00 N ATOM 0 H LYS A 108 0.676 11.448 3.609 1.00 0.00 H new ATOM 0 HA LYS A 108 0.003 9.370 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.900 11.131 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.836 11.287 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.460 13.093 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.266 12.966 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.967 13.605 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.773 13.644 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.529 15.435 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.211 15.395 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.222 17.169 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.930 16.028 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.757 16.067 8.196 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.487 10.134 3.187 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.686 10.153 2.361 1.00 0.00 C ATOM 1574 C LYS A 109 -3.647 9.057 2.807 1.00 0.00 C ATOM 1575 O LYS A 109 -3.242 7.954 3.175 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.308 10.044 0.883 1.00 0.00 C ATOM 1577 CG LYS A 109 -3.559 9.929 0.003 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.289 10.029 -1.485 1.00 0.00 C ATOM 1579 CE LYS A 109 -3.058 8.676 -2.171 1.00 0.00 C ATOM 1580 NZ LYS A 109 -2.087 7.791 -1.498 1.00 0.00 N ATOM 0 H LYS A 109 -0.630 9.958 2.663 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.206 11.103 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.730 10.919 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.670 9.173 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.046 8.976 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.261 10.713 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.132 10.528 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.414 10.659 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.013 8.155 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.716 8.856 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.728 7.089 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.294 8.358 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.553 7.301 -0.708 1.00 0.00 H new ATOM 1594 N SER A 110 -4.932 9.378 2.762 1.00 0.00 N ATOM 1595 CA SER A 110 -5.987 8.664 3.420 1.00 0.00 C ATOM 1596 C SER A 110 -7.303 8.904 2.690 1.00 0.00 C ATOM 1597 O SER A 110 -7.557 10.028 2.254 1.00 0.00 O ATOM 1598 CB SER A 110 -6.032 9.190 4.855 1.00 0.00 C ATOM 1599 OG SER A 110 -5.555 10.522 5.043 1.00 0.00 O ATOM 0 H SER A 110 -5.271 10.184 2.237 1.00 0.00 H new ATOM 0 HA SER A 110 -5.818 7.587 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.062 9.140 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.446 8.522 5.486 1.00 0.00 H new ATOM 0 HG SER A 110 -4.576 10.516 5.086 1.00 0.00 H new ATOM 1605 N LEU A 111 -8.103 7.847 2.511 1.00 0.00 N ATOM 1606 CA LEU A 111 -9.248 7.823 1.617 1.00 0.00 C ATOM 1607 C LEU A 111 -10.457 7.366 2.400 1.00 0.00 C ATOM 1608 O LEU A 111 -10.395 6.930 3.552 1.00 0.00 O ATOM 1609 CB LEU A 111 -9.103 6.866 0.409 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.915 7.054 -0.527 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -6.640 6.743 0.216 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -8.049 6.035 -1.647 1.00 0.00 C ATOM 0 H LEU A 111 -7.961 6.964 3.001 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.339 8.835 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.063 5.848 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.012 6.945 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.892 8.076 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.788 6.877 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.542 7.415 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.667 5.712 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.213 6.142 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.046 5.029 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.984 6.202 -2.181 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.540 7.366 1.655 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.871 6.914 2.012 1.00 0.00 C ATOM 1626 C VAL A 112 -13.616 6.389 0.787 1.00 0.00 C ATOM 1627 O VAL A 112 -13.448 6.928 -0.308 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.588 8.087 2.699 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -13.873 9.309 1.808 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.876 7.624 3.401 1.00 0.00 C ATOM 0 H VAL A 112 -11.511 7.714 0.696 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.829 6.073 2.704 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.867 8.437 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.381 10.076 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -12.933 9.708 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.507 9.011 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.358 8.478 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.553 7.187 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.630 6.878 4.157 1.00 0.00 H new ATOM 1640 N PHE A 113 -14.469 5.383 0.986 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.445 4.868 0.030 1.00 0.00 C ATOM 1642 C PHE A 113 -16.707 4.523 0.814 1.00 0.00 C ATOM 1643 O PHE A 113 -16.598 4.170 1.991 1.00 0.00 O ATOM 1644 CB PHE A 113 -14.906 3.608 -0.660 1.00 0.00 C ATOM 1645 CG PHE A 113 -13.793 3.865 -1.651 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -12.473 4.075 -1.209 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -14.079 3.884 -3.028 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -11.454 4.337 -2.139 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -13.055 4.130 -3.958 1.00 0.00 C ATOM 1650 CZ PHE A 113 -11.745 4.368 -3.514 1.00 0.00 C ATOM 0 H PHE A 113 -14.497 4.878 1.872 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.651 5.612 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -14.545 2.918 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -15.728 3.112 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.244 4.035 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -15.088 3.709 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.445 4.515 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -13.276 4.136 -5.015 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.961 4.575 -4.228 1.00 0.00 H new ATOM 1796 N ASP A 123 -8.155 6.641 -7.478 1.00 0.00 N ATOM 1797 CA ASP A 123 -8.057 7.258 -6.138 1.00 0.00 C ATOM 1798 C ASP A 123 -6.657 7.138 -5.502 1.00 0.00 C ATOM 1799 O ASP A 123 -6.331 7.840 -4.541 1.00 0.00 O ATOM 1800 CB ASP A 123 -9.110 6.621 -5.204 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.958 7.634 -4.419 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -9.424 8.351 -3.546 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -11.200 7.637 -4.582 1.00 0.00 O ATOM 0 HA ASP A 123 -8.245 8.324 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.774 5.994 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.602 5.966 -4.497 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.799 6.251 -6.023 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.402 6.121 -5.629 1.00 0.00 C ATOM 1810 C LEU A 124 -3.549 6.350 -6.863 1.00 0.00 C ATOM 1811 O LEU A 124 -3.612 5.589 -7.826 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.039 4.741 -5.089 1.00 0.00 C ATOM 1813 CG LEU A 124 -4.616 4.270 -3.746 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -4.398 5.251 -2.597 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -6.077 3.867 -3.871 1.00 0.00 C ATOM 0 H LEU A 124 -6.071 5.589 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.229 6.846 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.332 4.010 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.953 4.699 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.042 3.382 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.834 4.845 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.329 5.407 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.875 6.202 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.449 3.540 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -6.662 4.720 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.169 3.051 -4.588 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.698 7.355 -6.768 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.739 7.758 -7.792 1.00 0.00 C ATOM 1829 C ASN A 125 -0.498 8.402 -7.146 1.00 0.00 C ATOM 1830 O ASN A 125 -0.321 9.621 -7.206 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.444 8.689 -8.795 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.676 8.763 -10.103 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -1.921 7.967 -11.007 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -0.753 9.697 -10.244 1.00 0.00 N ATOM 0 H ASN A 125 -2.651 7.944 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.378 6.887 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -3.455 8.328 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.537 9.687 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.228 9.768 -11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.565 10.348 -9.481 1.00 0.00 H new ATOM 1841 N LEU A 126 0.354 7.596 -6.489 1.00 0.00 N ATOM 1842 CA LEU A 126 1.601 8.041 -5.840 1.00 0.00 C ATOM 1843 C LEU A 126 2.811 7.348 -6.462 1.00 0.00 C ATOM 1844 O LEU A 126 2.720 6.200 -6.914 1.00 0.00 O ATOM 1845 CB LEU A 126 1.614 7.718 -4.329 1.00 0.00 C ATOM 1846 CG LEU A 126 1.320 8.890 -3.373 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.001 9.607 -3.644 1.00 0.00 C ATOM 1848 CD2 LEU A 126 1.269 8.333 -1.952 1.00 0.00 C ATOM 0 H LEU A 126 0.192 6.594 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 126 1.651 9.120 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.881 6.933 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.592 7.308 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 126 2.112 9.624 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.127 10.417 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.010 10.015 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.824 8.901 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.062 9.142 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.481 7.583 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.227 7.876 -1.706 1.00 0.00 H new ATOM 1860 N TYR A 127 3.963 8.010 -6.368 1.00 0.00 N ATOM 1861 CA TYR A 127 5.285 7.551 -6.788 1.00 0.00 C ATOM 1862 C TYR A 127 6.341 8.109 -5.826 1.00 0.00 C ATOM 1863 O TYR A 127 6.174 9.215 -5.309 1.00 0.00 O ATOM 1864 CB TYR A 127 5.524 8.081 -8.206 1.00 0.00 C ATOM 1865 CG TYR A 127 6.867 7.742 -8.823 1.00 0.00 C ATOM 1866 CD1 TYR A 127 7.084 6.475 -9.397 1.00 0.00 C ATOM 1867 CD2 TYR A 127 7.876 8.721 -8.877 1.00 0.00 C ATOM 1868 CE1 TYR A 127 8.309 6.185 -10.029 1.00 0.00 C ATOM 1869 CE2 TYR A 127 9.109 8.431 -9.484 1.00 0.00 C ATOM 1870 CZ TYR A 127 9.324 7.166 -10.076 1.00 0.00 C ATOM 1871 OH TYR A 127 10.478 6.952 -10.766 1.00 0.00 O ATOM 0 H TYR A 127 3.999 8.948 -5.968 1.00 0.00 H new ATOM 0 HA TYR A 127 5.349 6.463 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.739 7.692 -8.855 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.417 9.166 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.309 5.724 -9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.702 9.698 -8.451 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.472 5.215 -10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.892 9.174 -9.498 1.00 0.00 H new ATOM 0 HH TYR A 127 11.058 7.738 -10.686 1.00 0.00 H new ATOM 1881 N TYR A 128 7.437 7.385 -5.606 1.00 0.00 N ATOM 1882 CA TYR A 128 8.576 7.742 -4.768 1.00 0.00 C ATOM 1883 C TYR A 128 9.847 7.263 -5.476 1.00 0.00 C ATOM 1884 O TYR A 128 9.829 6.197 -6.092 1.00 0.00 O ATOM 1885 CB TYR A 128 8.461 7.086 -3.386 1.00 0.00 C ATOM 1886 CG TYR A 128 7.282 7.541 -2.553 1.00 0.00 C ATOM 1887 CD1 TYR A 128 7.367 8.750 -1.836 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.105 6.769 -2.499 1.00 0.00 C ATOM 1889 CE1 TYR A 128 6.283 9.186 -1.059 1.00 0.00 C ATOM 1890 CE2 TYR A 128 5.000 7.223 -1.761 1.00 0.00 C ATOM 1891 CZ TYR A 128 5.098 8.421 -1.022 1.00 0.00 C ATOM 1892 OH TYR A 128 4.030 8.878 -0.327 1.00 0.00 O ATOM 0 H TYR A 128 7.559 6.470 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 128 8.605 8.821 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.397 6.006 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.377 7.285 -2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.268 9.343 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.052 5.827 -3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.355 10.102 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.080 6.658 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 128 3.484 9.451 -0.905 1.00 0.00 H new ATOM 1902 N ASN A 129 10.920 8.048 -5.385 1.00 0.00 N ATOM 1903 CA ASN A 129 12.291 7.754 -5.792 1.00 0.00 C ATOM 1904 C ASN A 129 13.207 8.498 -4.839 1.00 0.00 C ATOM 1905 O ASN A 129 12.750 9.508 -4.244 1.00 0.00 O ATOM 1906 CB ASN A 129 12.602 8.180 -7.238 1.00 0.00 C ATOM 1907 CG ASN A 129 13.004 9.650 -7.338 1.00 0.00 C ATOM 1908 OD1 ASN A 129 14.180 10.000 -7.384 1.00 0.00 O ATOM 1909 ND2 ASN A 129 12.054 10.567 -7.293 1.00 0.00 N ATOM 0 H ASN A 129 10.844 8.986 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 129 12.439 6.675 -5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 129 13.406 7.559 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 129 11.727 8.002 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 129 12.300 11.557 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 129 11.074 10.285 -7.255 1.00 0.00 H new