USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=27 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 100:sc= 0.217 USER MOD Set 1.2: A 69 THR OG1 : rot 36:sc= 0.183 USER MOD Set 2.1: A 12 MET CE :methyl 144:sc= -0.0801 (180deg=-1.27) USER MOD Set 2.2: A 68 THR OG1 : rot 42:sc= 0.455 USER MOD Single : A 13 TYR OH : rot 150:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 19 GLN : amide:sc= 1.81 K(o=1.8,f=-1.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 1.21 (180deg=-0.213) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.445 K(o=-0.45,f=-2.7!) USER MOD Single : A 38 GLN : amide:sc= -0.0398 K(o=-0.04,f=-0.98) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 50 SER OG : rot -170:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc=-0.00186 (180deg=-0.0788) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 67 SER OG : rot 33:sc= 0.357 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= -0.67 (180deg=-0.911) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 93 MET CE :methyl -166:sc= -2.49 (180deg=-3.2) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 63:sc= 1.23 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0.385 K(o=0.38,f=-4.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0722) USER MOD Single : A 109 LYS NZ :NH3+ -139:sc= -1.34 (180deg=-3.58!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.712 K(o=0.71,f=-0.0007) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 47:sc= 0.978 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 20.424 4.241 -2.599 1.00 0.00 N ATOM 110 CA GLY A 10 19.492 5.352 -2.678 1.00 0.00 C ATOM 111 C GLY A 10 18.751 5.466 -1.354 1.00 0.00 C ATOM 112 O GLY A 10 19.186 6.209 -0.468 1.00 0.00 O ATOM 0 HA2 GLY A 10 20.026 6.278 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.786 5.195 -3.493 1.00 0.00 H new ATOM 116 N ALA A 11 17.660 4.708 -1.189 1.00 0.00 N ATOM 117 CA ALA A 11 16.835 4.825 0.013 1.00 0.00 C ATOM 118 C ALA A 11 16.203 3.501 0.419 1.00 0.00 C ATOM 119 O ALA A 11 15.933 2.643 -0.418 1.00 0.00 O ATOM 120 CB ALA A 11 15.734 5.859 -0.241 1.00 0.00 C ATOM 0 H ALA A 11 17.334 4.017 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 11 17.483 5.137 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.112 5.955 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.187 6.823 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.118 5.536 -1.081 1.00 0.00 H new ATOM 126 N MET A 12 15.942 3.364 1.715 1.00 0.00 N ATOM 127 CA MET A 12 14.968 2.437 2.264 1.00 0.00 C ATOM 128 C MET A 12 13.589 3.083 2.200 1.00 0.00 C ATOM 129 O MET A 12 13.476 4.310 2.295 1.00 0.00 O ATOM 130 CB MET A 12 15.297 2.163 3.737 1.00 0.00 C ATOM 131 CG MET A 12 16.642 1.449 3.896 1.00 0.00 C ATOM 132 SD MET A 12 16.619 0.038 5.033 1.00 0.00 S ATOM 133 CE MET A 12 15.421 -1.075 4.230 1.00 0.00 C ATOM 0 H MET A 12 16.418 3.913 2.431 1.00 0.00 H new ATOM 0 HA MET A 12 14.989 1.507 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.318 3.104 4.286 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.508 1.554 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.973 1.104 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.381 2.169 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.735 -2.109 4.369 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.436 -0.932 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.373 -0.851 3.164 1.00 0.00 H new ATOM 143 N TYR A 13 12.553 2.248 2.151 1.00 0.00 N ATOM 144 CA TYR A 13 11.164 2.643 2.330 1.00 0.00 C ATOM 145 C TYR A 13 10.461 1.608 3.205 1.00 0.00 C ATOM 146 O TYR A 13 10.814 0.419 3.185 1.00 0.00 O ATOM 147 CB TYR A 13 10.437 2.752 0.981 1.00 0.00 C ATOM 148 CG TYR A 13 11.138 3.577 -0.079 1.00 0.00 C ATOM 149 CD1 TYR A 13 11.309 4.963 0.094 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.631 2.950 -1.237 1.00 0.00 C ATOM 151 CE1 TYR A 13 12.011 5.711 -0.868 1.00 0.00 C ATOM 152 CE2 TYR A 13 12.333 3.693 -2.198 1.00 0.00 C ATOM 153 CZ TYR A 13 12.538 5.074 -2.014 1.00 0.00 C ATOM 154 OH TYR A 13 13.262 5.769 -2.931 1.00 0.00 O ATOM 0 H TYR A 13 12.664 1.249 1.980 1.00 0.00 H new ATOM 0 HA TYR A 13 11.141 3.623 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.283 1.746 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.450 3.181 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.901 5.453 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.469 1.893 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.147 6.774 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.717 3.204 -3.081 1.00 0.00 H new ATOM 0 HH TYR A 13 13.916 5.173 -3.351 1.00 0.00 H new ATOM 164 N GLU A 14 9.429 2.056 3.912 1.00 0.00 N ATOM 165 CA GLU A 14 8.420 1.249 4.578 1.00 0.00 C ATOM 166 C GLU A 14 7.104 2.001 4.369 1.00 0.00 C ATOM 167 O GLU A 14 7.074 3.225 4.486 1.00 0.00 O ATOM 168 CB GLU A 14 8.795 1.046 6.058 1.00 0.00 C ATOM 169 CG GLU A 14 7.665 0.451 6.913 1.00 0.00 C ATOM 170 CD GLU A 14 8.055 0.374 8.390 1.00 0.00 C ATOM 171 OE1 GLU A 14 7.845 1.364 9.125 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.521 -0.702 8.843 1.00 0.00 O ATOM 0 H GLU A 14 9.267 3.055 4.042 1.00 0.00 H new ATOM 0 HA GLU A 14 8.335 0.240 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.664 0.390 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.091 2.005 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.767 1.060 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.419 -0.547 6.549 1.00 0.00 H new ATOM 179 N VAL A 15 6.034 1.307 3.993 1.00 0.00 N ATOM 180 CA VAL A 15 4.750 1.878 3.630 1.00 0.00 C ATOM 181 C VAL A 15 3.675 1.073 4.317 1.00 0.00 C ATOM 182 O VAL A 15 3.825 -0.129 4.543 1.00 0.00 O ATOM 183 CB VAL A 15 4.631 1.944 2.087 1.00 0.00 C ATOM 184 CG1 VAL A 15 5.486 3.120 1.675 1.00 0.00 C ATOM 185 CG2 VAL A 15 4.724 0.589 1.371 1.00 0.00 C ATOM 0 H VAL A 15 6.043 0.289 3.932 1.00 0.00 H new ATOM 0 HA VAL A 15 4.639 2.908 3.968 1.00 0.00 H new ATOM 0 HB VAL A 15 3.626 2.154 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.453 3.232 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.108 4.028 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.515 2.950 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.630 0.739 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.687 0.127 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.922 -0.062 1.718 1.00 0.00 H new ATOM 195 N THR A 16 2.611 1.759 4.700 1.00 0.00 N ATOM 196 CA THR A 16 1.529 1.165 5.450 1.00 0.00 C ATOM 197 C THR A 16 0.242 1.372 4.685 1.00 0.00 C ATOM 198 O THR A 16 0.120 2.345 3.938 1.00 0.00 O ATOM 199 CB THR A 16 1.457 1.779 6.860 1.00 0.00 C ATOM 200 OG1 THR A 16 1.628 3.182 6.816 1.00 0.00 O ATOM 201 CG2 THR A 16 2.536 1.242 7.791 1.00 0.00 C ATOM 0 H THR A 16 2.478 2.749 4.496 1.00 0.00 H new ATOM 0 HA THR A 16 1.697 0.095 5.574 1.00 0.00 H new ATOM 0 HB THR A 16 0.471 1.508 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.576 3.546 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.437 1.710 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.426 0.162 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.519 1.469 7.378 1.00 0.00 H new ATOM 209 N ILE A 17 -0.700 0.463 4.901 1.00 0.00 N ATOM 210 CA ILE A 17 -2.066 0.563 4.446 1.00 0.00 C ATOM 211 C ILE A 17 -2.950 0.124 5.611 1.00 0.00 C ATOM 212 O ILE A 17 -3.151 -1.065 5.849 1.00 0.00 O ATOM 213 CB ILE A 17 -2.236 -0.261 3.155 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.686 -0.302 2.647 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.713 -1.698 3.187 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.330 1.073 2.507 1.00 0.00 C ATOM 0 H ILE A 17 -0.518 -0.396 5.420 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.358 1.577 4.173 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.599 0.299 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.708 -0.803 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.284 -0.904 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.891 -2.172 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.643 -1.691 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.232 -2.257 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.352 0.961 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.342 1.570 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.757 1.673 1.800 1.00 0.00 H new ATOM 228 N GLU A 18 -3.390 1.078 6.418 1.00 0.00 N ATOM 229 CA GLU A 18 -4.462 0.878 7.380 1.00 0.00 C ATOM 230 C GLU A 18 -5.767 0.786 6.590 1.00 0.00 C ATOM 231 O GLU A 18 -5.989 1.559 5.651 1.00 0.00 O ATOM 232 CB GLU A 18 -4.523 2.071 8.345 1.00 0.00 C ATOM 233 CG GLU A 18 -3.314 2.182 9.290 1.00 0.00 C ATOM 234 CD GLU A 18 -2.993 3.631 9.697 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.799 4.280 10.407 1.00 0.00 O ATOM 236 OE2 GLU A 18 -1.919 4.131 9.293 1.00 0.00 O ATOM 0 H GLU A 18 -3.008 2.024 6.423 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.296 -0.028 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.601 2.990 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.431 1.994 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.507 1.594 10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.441 1.746 8.805 1.00 0.00 H new ATOM 243 N GLN A 19 -6.651 -0.125 6.987 1.00 0.00 N ATOM 244 CA GLN A 19 -7.991 -0.277 6.453 1.00 0.00 C ATOM 245 C GLN A 19 -8.929 -0.172 7.661 1.00 0.00 C ATOM 246 O GLN A 19 -8.723 -0.856 8.666 1.00 0.00 O ATOM 247 CB GLN A 19 -8.082 -1.615 5.680 1.00 0.00 C ATOM 248 CG GLN A 19 -7.129 -1.640 4.468 1.00 0.00 C ATOM 249 CD GLN A 19 -7.436 -2.738 3.450 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.830 -2.446 2.323 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.222 -4.000 3.783 1.00 0.00 N ATOM 0 H GLN A 19 -6.440 -0.803 7.720 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.271 0.487 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.840 -2.440 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.106 -1.770 5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.172 -0.673 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.108 -1.768 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.895 -4.232 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.384 -4.742 3.102 1.00 0.00 H new ATOM 260 N SER A 20 -9.920 0.724 7.609 1.00 0.00 N ATOM 261 CA SER A 20 -10.892 0.933 8.682 1.00 0.00 C ATOM 262 C SER A 20 -12.314 1.075 8.138 1.00 0.00 C ATOM 263 O SER A 20 -12.514 1.095 6.920 1.00 0.00 O ATOM 264 CB SER A 20 -10.558 2.202 9.488 1.00 0.00 C ATOM 265 OG SER A 20 -9.180 2.453 9.685 1.00 0.00 O ATOM 0 H SER A 20 -10.070 1.334 6.805 1.00 0.00 H new ATOM 0 HA SER A 20 -10.837 0.054 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.997 3.060 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.039 2.129 10.463 1.00 0.00 H new ATOM 0 HG SER A 20 -9.068 3.277 10.203 1.00 0.00 H new ATOM 271 N GLY A 21 -13.300 1.203 9.027 1.00 0.00 N ATOM 272 CA GLY A 21 -14.713 1.263 8.699 1.00 0.00 C ATOM 273 C GLY A 21 -15.251 -0.155 8.590 1.00 0.00 C ATOM 274 O GLY A 21 -15.795 -0.680 9.556 1.00 0.00 O ATOM 0 H GLY A 21 -13.123 1.270 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.256 1.815 9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.860 1.796 7.760 1.00 0.00 H new ATOM 278 N ASP A 22 -15.081 -0.786 7.434 1.00 0.00 N ATOM 279 CA ASP A 22 -15.376 -2.192 7.163 1.00 0.00 C ATOM 280 C ASP A 22 -14.390 -2.642 6.089 1.00 0.00 C ATOM 281 O ASP A 22 -13.840 -1.794 5.394 1.00 0.00 O ATOM 282 CB ASP A 22 -16.811 -2.336 6.647 1.00 0.00 C ATOM 283 CG ASP A 22 -17.195 -3.807 6.496 1.00 0.00 C ATOM 284 OD1 ASP A 22 -16.935 -4.383 5.418 1.00 0.00 O ATOM 285 OD2 ASP A 22 -17.677 -4.389 7.500 1.00 0.00 O ATOM 0 H ASP A 22 -14.713 -0.305 6.613 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.282 -2.796 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.499 -1.846 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.908 -1.831 5.686 1.00 0.00 H new ATOM 290 N PHE A 23 -14.105 -3.926 5.910 1.00 0.00 N ATOM 291 CA PHE A 23 -13.434 -4.406 4.710 1.00 0.00 C ATOM 292 C PHE A 23 -13.945 -5.794 4.369 1.00 0.00 C ATOM 293 O PHE A 23 -13.252 -6.783 4.581 1.00 0.00 O ATOM 294 CB PHE A 23 -11.896 -4.295 4.808 1.00 0.00 C ATOM 295 CG PHE A 23 -11.234 -5.023 5.967 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.127 -4.391 7.220 1.00 0.00 C ATOM 297 CD2 PHE A 23 -10.779 -6.350 5.817 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.609 -5.089 8.324 1.00 0.00 C ATOM 299 CE2 PHE A 23 -10.297 -7.055 6.932 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.201 -6.426 8.185 1.00 0.00 C ATOM 0 H PHE A 23 -14.330 -4.657 6.585 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.685 -3.757 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.467 -4.672 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.634 -3.239 4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.444 -3.365 7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.801 -6.823 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.524 -4.597 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.998 -8.087 6.826 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.816 -6.967 9.036 1.00 0.00 H new ATOM 310 N ARG A 24 -15.181 -5.918 3.887 1.00 0.00 N ATOM 311 CA ARG A 24 -15.707 -7.217 3.476 1.00 0.00 C ATOM 312 C ARG A 24 -16.405 -7.172 2.121 1.00 0.00 C ATOM 313 O ARG A 24 -16.884 -8.212 1.678 1.00 0.00 O ATOM 314 CB ARG A 24 -16.634 -7.741 4.590 1.00 0.00 C ATOM 315 CG ARG A 24 -15.815 -7.956 5.873 1.00 0.00 C ATOM 316 CD ARG A 24 -16.652 -8.515 7.012 1.00 0.00 C ATOM 317 NE ARG A 24 -15.784 -8.872 8.145 1.00 0.00 N ATOM 318 CZ ARG A 24 -14.907 -9.876 8.218 1.00 0.00 C ATOM 319 NH1 ARG A 24 -14.896 -10.830 7.292 1.00 0.00 N ATOM 320 NH2 ARG A 24 -14.039 -9.906 9.220 1.00 0.00 N ATOM 0 H ARG A 24 -15.832 -5.141 3.772 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.874 -7.907 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -17.439 -7.029 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -17.100 -8.677 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.991 -8.638 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.374 -7.008 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.391 -7.778 7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.202 -9.393 6.673 1.00 0.00 H new ATOM 0 HE ARG A 24 -15.861 -8.282 8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.561 -10.798 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.223 -11.594 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.047 -9.168 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.364 -10.668 9.287 1.00 0.00 H new ATOM 334 N SER A 25 -16.495 -6.018 1.454 1.00 0.00 N ATOM 335 CA SER A 25 -17.203 -5.875 0.183 1.00 0.00 C ATOM 336 C SER A 25 -16.596 -4.729 -0.639 1.00 0.00 C ATOM 337 O SER A 25 -17.303 -3.797 -1.011 1.00 0.00 O ATOM 338 CB SER A 25 -18.677 -5.634 0.540 1.00 0.00 C ATOM 339 OG SER A 25 -19.573 -5.832 -0.535 1.00 0.00 O ATOM 0 H SER A 25 -16.074 -5.150 1.786 1.00 0.00 H new ATOM 0 HA SER A 25 -17.115 -6.764 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.955 -6.300 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.788 -4.614 0.908 1.00 0.00 H new ATOM 0 HG SER A 25 -20.490 -5.662 -0.232 1.00 0.00 H new ATOM 345 N PHE A 26 -15.281 -4.728 -0.871 1.00 0.00 N ATOM 346 CA PHE A 26 -14.611 -3.657 -1.610 1.00 0.00 C ATOM 347 C PHE A 26 -13.424 -4.226 -2.377 1.00 0.00 C ATOM 348 O PHE A 26 -12.495 -4.666 -1.707 1.00 0.00 O ATOM 349 CB PHE A 26 -14.123 -2.584 -0.624 1.00 0.00 C ATOM 350 CG PHE A 26 -15.232 -1.849 0.081 1.00 0.00 C ATOM 351 CD1 PHE A 26 -15.923 -0.835 -0.602 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.633 -2.245 1.370 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.093 -0.299 -0.042 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.782 -1.685 1.942 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.530 -0.740 1.221 1.00 0.00 C ATOM 0 H PHE A 26 -14.654 -5.467 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.312 -3.211 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.482 -3.055 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.508 -1.863 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.557 -0.471 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.057 -2.978 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.656 0.450 -0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.092 -1.979 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.446 -0.349 1.638 1.00 0.00 H new ATOM 365 N ILE A 27 -13.409 -4.183 -3.713 1.00 0.00 N ATOM 366 CA ILE A 27 -12.338 -4.709 -4.567 1.00 0.00 C ATOM 367 C ILE A 27 -11.008 -4.077 -4.144 1.00 0.00 C ATOM 368 O ILE A 27 -10.703 -2.939 -4.513 1.00 0.00 O ATOM 369 CB ILE A 27 -12.656 -4.473 -6.069 1.00 0.00 C ATOM 370 CG1 ILE A 27 -13.901 -5.266 -6.534 1.00 0.00 C ATOM 371 CG2 ILE A 27 -11.473 -4.869 -6.979 1.00 0.00 C ATOM 372 CD1 ILE A 27 -14.594 -4.634 -7.747 1.00 0.00 C ATOM 0 H ILE A 27 -14.170 -3.766 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.260 -5.789 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.849 -3.404 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.604 -6.285 -6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.612 -5.332 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.739 -4.688 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.598 -4.273 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.246 -5.926 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.459 -5.235 -8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.919 -3.625 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.897 -4.592 -8.584 1.00 0.00 H new ATOM 384 N LYS A 28 -10.220 -4.795 -3.345 1.00 0.00 N ATOM 385 CA LYS A 28 -8.858 -4.416 -3.015 1.00 0.00 C ATOM 386 C LYS A 28 -7.951 -4.882 -4.145 1.00 0.00 C ATOM 387 O LYS A 28 -8.037 -6.018 -4.604 1.00 0.00 O ATOM 388 CB LYS A 28 -8.445 -5.069 -1.697 1.00 0.00 C ATOM 389 CG LYS A 28 -8.888 -4.251 -0.483 1.00 0.00 C ATOM 390 CD LYS A 28 -9.096 -5.147 0.748 1.00 0.00 C ATOM 391 CE LYS A 28 -10.438 -5.861 0.793 1.00 0.00 C ATOM 392 NZ LYS A 28 -11.544 -4.897 0.786 1.00 0.00 N ATOM 0 H LYS A 28 -10.519 -5.666 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.780 -3.335 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.877 -6.068 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.362 -5.189 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.138 -3.492 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.815 -3.726 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.302 -5.893 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.993 -4.538 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.528 -6.530 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.495 -6.480 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.366 -5.308 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.250 -4.028 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.801 -4.671 -0.196 1.00 0.00 H new ATOM 406 N SER A 29 -7.030 -4.021 -4.534 1.00 0.00 N ATOM 407 CA SER A 29 -5.962 -4.257 -5.472 1.00 0.00 C ATOM 408 C SER A 29 -4.785 -3.495 -4.917 1.00 0.00 C ATOM 409 O SER A 29 -4.963 -2.384 -4.411 1.00 0.00 O ATOM 410 CB SER A 29 -6.340 -3.650 -6.819 1.00 0.00 C ATOM 411 OG SER A 29 -5.423 -3.970 -7.844 1.00 0.00 O ATOM 0 H SER A 29 -7.013 -3.068 -4.172 1.00 0.00 H new ATOM 0 HA SER A 29 -5.755 -5.319 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.332 -4.000 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.401 -2.566 -6.719 1.00 0.00 H new ATOM 0 HG SER A 29 -5.714 -3.558 -8.684 1.00 0.00 H new ATOM 417 N VAL A 30 -3.590 -4.048 -5.080 1.00 0.00 N ATOM 418 CA VAL A 30 -2.360 -3.325 -4.833 1.00 0.00 C ATOM 419 C VAL A 30 -1.414 -3.620 -6.001 1.00 0.00 C ATOM 420 O VAL A 30 -1.557 -4.624 -6.706 1.00 0.00 O ATOM 421 CB VAL A 30 -1.856 -3.668 -3.412 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.466 -3.118 -3.092 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.808 -3.044 -2.371 1.00 0.00 C ATOM 0 H VAL A 30 -3.452 -5.011 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.472 -2.241 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.819 -4.757 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.187 -3.402 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.258 -3.528 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.477 -2.031 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.457 -3.283 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.829 -1.962 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.812 -3.445 -2.509 1.00 0.00 H new ATOM 433 N VAL A 31 -0.471 -2.716 -6.240 1.00 0.00 N ATOM 434 CA VAL A 31 0.786 -2.962 -6.928 1.00 0.00 C ATOM 435 C VAL A 31 1.856 -2.615 -5.881 1.00 0.00 C ATOM 436 O VAL A 31 1.644 -1.735 -5.031 1.00 0.00 O ATOM 437 CB VAL A 31 0.877 -2.136 -8.234 1.00 0.00 C ATOM 438 CG1 VAL A 31 0.571 -0.647 -8.057 1.00 0.00 C ATOM 439 CG2 VAL A 31 2.243 -2.269 -8.923 1.00 0.00 C ATOM 0 H VAL A 31 -0.569 -1.745 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 31 0.907 -3.989 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 31 0.100 -2.570 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.657 -0.141 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.442 -0.527 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.280 -0.211 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.251 -1.670 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.026 -1.918 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.423 -3.314 -9.175 1.00 0.00 H new ATOM 449 N VAL A 32 2.993 -3.305 -5.907 1.00 0.00 N ATOM 450 CA VAL A 32 4.136 -2.947 -5.084 1.00 0.00 C ATOM 451 C VAL A 32 5.396 -3.345 -5.847 1.00 0.00 C ATOM 452 O VAL A 32 5.483 -4.459 -6.386 1.00 0.00 O ATOM 453 CB VAL A 32 3.983 -3.534 -3.665 1.00 0.00 C ATOM 454 CG1 VAL A 32 4.185 -5.040 -3.612 1.00 0.00 C ATOM 455 CG2 VAL A 32 4.914 -2.849 -2.663 1.00 0.00 C ATOM 0 H VAL A 32 3.144 -4.123 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 32 4.208 -1.874 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 32 2.949 -3.334 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.064 -5.387 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.449 -5.529 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.188 -5.285 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.775 -3.291 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.949 -2.982 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.682 -1.785 -2.619 1.00 0.00 H new ATOM 465 N VAL A 33 6.351 -2.419 -5.938 1.00 0.00 N ATOM 466 CA VAL A 33 7.611 -2.614 -6.654 1.00 0.00 C ATOM 467 C VAL A 33 8.776 -2.237 -5.720 1.00 0.00 C ATOM 468 O VAL A 33 8.546 -1.653 -4.657 1.00 0.00 O ATOM 469 CB VAL A 33 7.552 -1.850 -8.000 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.728 -2.204 -8.930 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.237 -2.148 -8.751 1.00 0.00 C ATOM 0 H VAL A 33 6.269 -1.497 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 33 7.782 -3.656 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 33 7.610 -0.792 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.639 -1.642 -9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.668 -1.950 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.710 -3.272 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.223 -1.598 -9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.168 -3.217 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.390 -1.840 -8.138 1.00 0.00 H new ATOM 481 N ALA A 34 10.008 -2.636 -6.052 1.00 0.00 N ATOM 482 CA ALA A 34 11.224 -2.121 -5.439 1.00 0.00 C ATOM 483 C ALA A 34 12.315 -2.107 -6.505 1.00 0.00 C ATOM 484 O ALA A 34 12.820 -3.170 -6.871 1.00 0.00 O ATOM 485 CB ALA A 34 11.650 -2.992 -4.249 1.00 0.00 C ATOM 0 H ALA A 34 10.185 -3.340 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 34 11.050 -1.114 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.561 -2.586 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.857 -2.999 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.835 -4.010 -4.591 1.00 0.00 H new ATOM 491 N ASN A 35 12.700 -0.929 -7.011 1.00 0.00 N ATOM 492 CA ASN A 35 13.855 -0.797 -7.911 1.00 0.00 C ATOM 493 C ASN A 35 15.146 -1.156 -7.171 1.00 0.00 C ATOM 494 O ASN A 35 15.820 -0.311 -6.574 1.00 0.00 O ATOM 495 CB ASN A 35 14.020 0.604 -8.516 1.00 0.00 C ATOM 496 CG ASN A 35 15.045 0.611 -9.647 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.164 0.127 -9.516 1.00 0.00 O ATOM 498 ND2 ASN A 35 14.697 1.188 -10.779 1.00 0.00 N ATOM 0 H ASN A 35 12.226 -0.048 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 35 13.661 -1.486 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.059 0.953 -8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.330 1.302 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.360 1.234 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.765 1.589 -10.882 1.00 0.00 H new ATOM 505 N GLY A 36 15.507 -2.420 -7.208 1.00 0.00 N ATOM 506 CA GLY A 36 16.776 -2.953 -6.780 1.00 0.00 C ATOM 507 C GLY A 36 16.512 -4.179 -5.921 1.00 0.00 C ATOM 508 O GLY A 36 16.572 -5.308 -6.406 1.00 0.00 O ATOM 0 H GLY A 36 14.882 -3.145 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.387 -3.218 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.331 -2.205 -6.214 1.00 0.00 H new ATOM 512 N THR A 37 16.162 -3.938 -4.663 1.00 0.00 N ATOM 513 CA THR A 37 15.980 -4.970 -3.650 1.00 0.00 C ATOM 514 C THR A 37 14.593 -5.627 -3.774 1.00 0.00 C ATOM 515 O THR A 37 13.923 -5.497 -4.803 1.00 0.00 O ATOM 516 CB THR A 37 16.308 -4.332 -2.289 1.00 0.00 C ATOM 517 OG1 THR A 37 16.728 -5.270 -1.326 1.00 0.00 O ATOM 518 CG2 THR A 37 15.143 -3.542 -1.696 1.00 0.00 C ATOM 0 H THR A 37 15.993 -2.996 -4.311 1.00 0.00 H new ATOM 0 HA THR A 37 16.660 -5.811 -3.782 1.00 0.00 H new ATOM 0 HB THR A 37 17.128 -3.650 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.706 -5.254 -1.259 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.441 -3.119 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.865 -2.738 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.290 -4.205 -1.550 1.00 0.00 H new ATOM 526 N GLN A 38 14.180 -6.357 -2.738 1.00 0.00 N ATOM 527 CA GLN A 38 12.901 -7.019 -2.624 1.00 0.00 C ATOM 528 C GLN A 38 12.026 -6.348 -1.571 1.00 0.00 C ATOM 529 O GLN A 38 12.492 -5.606 -0.703 1.00 0.00 O ATOM 530 CB GLN A 38 13.145 -8.490 -2.266 1.00 0.00 C ATOM 531 CG GLN A 38 13.476 -9.320 -3.507 1.00 0.00 C ATOM 532 CD GLN A 38 14.895 -9.199 -4.047 1.00 0.00 C ATOM 533 OE1 GLN A 38 15.815 -8.657 -3.436 1.00 0.00 O ATOM 534 NE2 GLN A 38 15.124 -9.761 -5.214 1.00 0.00 N ATOM 0 H GLN A 38 14.768 -6.504 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 38 12.372 -6.950 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.964 -8.561 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.260 -8.899 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.287 -10.368 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.784 -9.038 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.362 -10.211 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.063 -9.747 -5.611 1.00 0.00 H new ATOM 543 N LEU A 39 10.736 -6.642 -1.656 1.00 0.00 N ATOM 544 CA LEU A 39 9.732 -6.347 -0.653 1.00 0.00 C ATOM 545 C LEU A 39 9.722 -7.444 0.398 1.00 0.00 C ATOM 546 O LEU A 39 10.053 -8.602 0.134 1.00 0.00 O ATOM 547 CB LEU A 39 8.340 -6.254 -1.309 1.00 0.00 C ATOM 548 CG LEU A 39 7.854 -4.825 -1.597 1.00 0.00 C ATOM 549 CD1 LEU A 39 7.349 -4.141 -0.329 1.00 0.00 C ATOM 550 CD2 LEU A 39 8.914 -3.932 -2.232 1.00 0.00 C ATOM 0 H LEU A 39 10.345 -7.117 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 39 9.971 -5.393 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.358 -6.812 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.615 -6.745 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 39 7.042 -4.949 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.013 -3.132 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.518 -4.711 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.155 -4.090 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.497 -2.940 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.772 -3.854 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.232 -4.363 -3.181 1.00 0.00 H new ATOM 562 N LYS A 40 9.235 -7.055 1.568 1.00 0.00 N ATOM 563 CA LYS A 40 9.053 -7.863 2.753 1.00 0.00 C ATOM 564 C LYS A 40 7.620 -7.667 3.218 1.00 0.00 C ATOM 565 O LYS A 40 7.227 -6.550 3.575 1.00 0.00 O ATOM 566 CB LYS A 40 10.069 -7.430 3.805 1.00 0.00 C ATOM 567 CG LYS A 40 9.912 -8.234 5.097 1.00 0.00 C ATOM 568 CD LYS A 40 10.892 -7.672 6.118 1.00 0.00 C ATOM 569 CE LYS A 40 10.615 -8.268 7.490 1.00 0.00 C ATOM 570 NZ LYS A 40 11.412 -7.567 8.512 1.00 0.00 N ATOM 0 H LYS A 40 8.936 -6.092 1.719 1.00 0.00 H new ATOM 0 HA LYS A 40 9.218 -8.923 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.078 -7.560 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.944 -6.368 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.890 -8.163 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.113 -9.290 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.914 -7.897 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.803 -6.586 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.554 -8.185 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.860 -9.330 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.218 -7.979 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.424 -7.668 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.158 -6.559 8.519 1.00 0.00 H new ATOM 584 N ASP A 41 6.853 -8.741 3.149 1.00 0.00 N ATOM 585 CA ASP A 41 5.437 -8.816 3.459 1.00 0.00 C ATOM 586 C ASP A 41 5.253 -8.750 4.975 1.00 0.00 C ATOM 587 O ASP A 41 5.770 -9.606 5.691 1.00 0.00 O ATOM 588 CB ASP A 41 4.871 -10.119 2.869 1.00 0.00 C ATOM 589 CG ASP A 41 3.481 -9.888 2.298 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.359 -9.152 1.300 1.00 0.00 O ATOM 591 OD2 ASP A 41 2.487 -10.371 2.884 1.00 0.00 O ATOM 0 H ASP A 41 7.228 -9.643 2.856 1.00 0.00 H new ATOM 0 HA ASP A 41 4.895 -7.979 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.534 -10.489 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.830 -10.887 3.642 1.00 0.00 H new ATOM 596 N GLY A 42 4.544 -7.747 5.493 1.00 0.00 N ATOM 597 CA GLY A 42 4.234 -7.597 6.917 1.00 0.00 C ATOM 598 C GLY A 42 3.221 -8.619 7.438 1.00 0.00 C ATOM 599 O GLY A 42 2.920 -8.617 8.633 1.00 0.00 O ATOM 0 H GLY A 42 4.159 -6.996 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.156 -7.687 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.846 -6.593 7.091 1.00 0.00 H new ATOM 603 N ALA A 43 2.679 -9.475 6.568 1.00 0.00 N ATOM 604 CA ALA A 43 1.872 -10.631 6.929 1.00 0.00 C ATOM 605 C ALA A 43 2.661 -11.553 7.854 1.00 0.00 C ATOM 606 O ALA A 43 2.150 -11.960 8.898 1.00 0.00 O ATOM 607 CB ALA A 43 1.474 -11.395 5.660 1.00 0.00 C ATOM 0 H ALA A 43 2.797 -9.374 5.560 1.00 0.00 H new ATOM 0 HA ALA A 43 0.975 -10.291 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.870 -12.261 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.897 -10.740 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.372 -11.728 5.139 1.00 0.00 H new ATOM 613 N THR A 44 3.874 -11.908 7.422 1.00 0.00 N ATOM 614 CA THR A 44 4.650 -13.047 7.913 1.00 0.00 C ATOM 615 C THR A 44 6.168 -12.830 7.766 1.00 0.00 C ATOM 616 O THR A 44 6.961 -13.754 7.980 1.00 0.00 O ATOM 617 CB THR A 44 4.179 -14.314 7.161 1.00 0.00 C ATOM 618 OG1 THR A 44 3.950 -14.040 5.795 1.00 0.00 O ATOM 619 CG2 THR A 44 2.880 -14.866 7.762 1.00 0.00 C ATOM 0 H THR A 44 4.361 -11.388 6.692 1.00 0.00 H new ATOM 0 HA THR A 44 4.474 -13.164 8.982 1.00 0.00 H new ATOM 0 HB THR A 44 4.975 -15.052 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.655 -14.858 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.574 -15.756 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.044 -15.124 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.097 -14.110 7.693 1.00 0.00 H new ATOM 627 N GLY A 45 6.615 -11.621 7.412 1.00 0.00 N ATOM 628 CA GLY A 45 8.013 -11.298 7.147 1.00 0.00 C ATOM 629 C GLY A 45 8.506 -11.868 5.818 1.00 0.00 C ATOM 630 O GLY A 45 9.720 -11.932 5.609 1.00 0.00 O ATOM 0 H GLY A 45 5.993 -10.820 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.137 -10.215 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.631 -11.686 7.956 1.00 0.00 H new ATOM 634 N GLU A 46 7.595 -12.318 4.952 1.00 0.00 N ATOM 635 CA GLU A 46 7.900 -13.051 3.733 1.00 0.00 C ATOM 636 C GLU A 46 8.657 -12.176 2.742 1.00 0.00 C ATOM 637 O GLU A 46 8.185 -11.102 2.377 1.00 0.00 O ATOM 638 CB GLU A 46 6.613 -13.621 3.119 1.00 0.00 C ATOM 639 CG GLU A 46 6.264 -14.994 3.714 1.00 0.00 C ATOM 640 CD GLU A 46 6.921 -16.126 2.917 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.172 -16.264 2.986 1.00 0.00 O ATOM 642 OE2 GLU A 46 6.211 -16.849 2.188 1.00 0.00 O ATOM 0 H GLU A 46 6.594 -12.175 5.089 1.00 0.00 H new ATOM 0 HA GLU A 46 8.552 -13.888 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.789 -12.929 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.733 -13.711 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.593 -15.038 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.182 -15.128 3.717 1.00 0.00 H new ATOM 649 N SER A 47 9.831 -12.626 2.304 1.00 0.00 N ATOM 650 CA SER A 47 10.550 -11.999 1.203 1.00 0.00 C ATOM 651 C SER A 47 9.847 -12.355 -0.107 1.00 0.00 C ATOM 652 O SER A 47 9.614 -13.540 -0.364 1.00 0.00 O ATOM 653 CB SER A 47 11.999 -12.496 1.159 1.00 0.00 C ATOM 654 OG SER A 47 12.555 -12.737 2.441 1.00 0.00 O ATOM 0 H SER A 47 10.308 -13.434 2.703 1.00 0.00 H new ATOM 0 HA SER A 47 10.559 -10.918 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.042 -13.415 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.611 -11.759 0.639 1.00 0.00 H new ATOM 0 HG SER A 47 13.478 -13.053 2.343 1.00 0.00 H new ATOM 660 N LEU A 48 9.502 -11.359 -0.925 1.00 0.00 N ATOM 661 CA LEU A 48 8.811 -11.540 -2.203 1.00 0.00 C ATOM 662 C LEU A 48 9.670 -10.996 -3.340 1.00 0.00 C ATOM 663 O LEU A 48 10.701 -10.383 -3.085 1.00 0.00 O ATOM 664 CB LEU A 48 7.448 -10.843 -2.144 1.00 0.00 C ATOM 665 CG LEU A 48 6.561 -11.314 -0.980 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.266 -10.518 -1.024 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.256 -12.813 -1.028 1.00 0.00 C ATOM 0 H LEU A 48 9.700 -10.381 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 48 8.646 -12.601 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.604 -9.768 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.921 -11.015 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 48 7.101 -11.144 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.617 -10.833 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.488 -9.456 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.763 -10.694 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.626 -13.084 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.736 -13.049 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.188 -13.376 -0.982 1.00 0.00 H new ATOM 679 N ALA A 49 9.247 -11.127 -4.599 1.00 0.00 N ATOM 680 CA ALA A 49 10.023 -10.780 -5.783 1.00 0.00 C ATOM 681 C ALA A 49 9.199 -9.859 -6.683 1.00 0.00 C ATOM 682 O ALA A 49 8.166 -10.259 -7.217 1.00 0.00 O ATOM 683 CB ALA A 49 10.433 -12.069 -6.485 1.00 0.00 C ATOM 0 H ALA A 49 8.322 -11.491 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 49 10.929 -10.236 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.015 -11.829 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.036 -12.675 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.541 -12.625 -6.774 1.00 0.00 H new ATOM 689 N SER A 50 9.599 -8.596 -6.770 1.00 0.00 N ATOM 690 CA SER A 50 8.875 -7.534 -7.434 1.00 0.00 C ATOM 691 C SER A 50 9.016 -7.604 -8.967 1.00 0.00 C ATOM 692 O SER A 50 9.891 -8.326 -9.467 1.00 0.00 O ATOM 693 CB SER A 50 9.425 -6.227 -6.848 1.00 0.00 C ATOM 694 OG SER A 50 10.717 -5.891 -7.310 1.00 0.00 O ATOM 0 H SER A 50 10.476 -8.277 -6.359 1.00 0.00 H new ATOM 0 HA SER A 50 7.802 -7.616 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.740 -5.415 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.448 -6.309 -5.761 1.00 0.00 H new ATOM 0 HG SER A 50 11.068 -5.142 -6.784 1.00 0.00 H new ATOM 700 N PRO A 51 8.250 -6.811 -9.740 1.00 0.00 N ATOM 701 CA PRO A 51 7.010 -6.147 -9.340 1.00 0.00 C ATOM 702 C PRO A 51 5.924 -7.204 -9.099 1.00 0.00 C ATOM 703 O PRO A 51 5.909 -8.231 -9.786 1.00 0.00 O ATOM 704 CB PRO A 51 6.676 -5.215 -10.511 1.00 0.00 C ATOM 705 CG PRO A 51 7.279 -5.901 -11.730 1.00 0.00 C ATOM 706 CD PRO A 51 8.505 -6.609 -11.161 1.00 0.00 C ATOM 0 HA PRO A 51 7.092 -5.582 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.599 -5.086 -10.621 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.103 -4.223 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.581 -6.606 -12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.552 -5.182 -12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.670 -7.562 -11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.403 -6.010 -11.312 1.00 0.00 H new ATOM 714 N VAL A 52 5.015 -6.977 -8.145 1.00 0.00 N ATOM 715 CA VAL A 52 3.959 -7.939 -7.819 1.00 0.00 C ATOM 716 C VAL A 52 2.620 -7.229 -7.616 1.00 0.00 C ATOM 717 O VAL A 52 2.571 -6.117 -7.076 1.00 0.00 O ATOM 718 CB VAL A 52 4.404 -8.798 -6.613 1.00 0.00 C ATOM 719 CG1 VAL A 52 4.510 -7.990 -5.318 1.00 0.00 C ATOM 720 CG2 VAL A 52 3.493 -9.997 -6.338 1.00 0.00 C ATOM 0 H VAL A 52 4.991 -6.127 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 52 3.798 -8.622 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 52 5.388 -9.161 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.826 -8.644 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.241 -7.192 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.539 -7.557 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.870 -10.551 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.483 -9.646 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.477 -10.650 -7.211 1.00 0.00 H new ATOM 730 N ILE A 53 1.531 -7.906 -7.980 1.00 0.00 N ATOM 731 CA ILE A 53 0.145 -7.510 -7.809 1.00 0.00 C ATOM 732 C ILE A 53 -0.484 -8.495 -6.825 1.00 0.00 C ATOM 733 O ILE A 53 -0.406 -9.712 -7.017 1.00 0.00 O ATOM 734 CB ILE A 53 -0.579 -7.524 -9.173 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.073 -6.628 -10.249 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.069 -7.174 -9.015 1.00 0.00 C ATOM 737 CD1 ILE A 53 0.554 -5.255 -9.789 1.00 0.00 C ATOM 0 H ILE A 53 1.608 -8.815 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 53 0.064 -6.496 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.482 -8.547 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.923 -7.164 -10.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.646 -6.485 -11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.552 -7.192 -9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.547 -7.903 -8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.165 -6.179 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.992 -4.722 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.290 -4.686 -9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.304 -5.375 -9.007 1.00 0.00 H new ATOM 749 N LEU A 54 -1.111 -7.972 -5.771 1.00 0.00 N ATOM 750 CA LEU A 54 -1.903 -8.757 -4.829 1.00 0.00 C ATOM 751 C LEU A 54 -3.383 -8.544 -5.112 1.00 0.00 C ATOM 752 O LEU A 54 -3.830 -7.436 -5.430 1.00 0.00 O ATOM 753 CB LEU A 54 -1.548 -8.407 -3.375 1.00 0.00 C ATOM 754 CG LEU A 54 -0.228 -8.968 -2.798 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.069 -10.437 -3.136 1.00 0.00 C ATOM 756 CD2 LEU A 54 0.964 -8.115 -3.221 1.00 0.00 C ATOM 0 H LEU A 54 -1.081 -6.978 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.671 -9.814 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.515 -7.321 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.364 -8.751 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.378 -8.926 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.016 -10.730 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.730 -11.069 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.131 -10.556 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.878 -8.534 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.036 -8.105 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.830 -7.096 -2.857 1.00 0.00 H new ATOM 768 N SER A 55 -4.125 -9.643 -5.004 1.00 0.00 N ATOM 769 CA SER A 55 -5.556 -9.696 -5.195 1.00 0.00 C ATOM 770 C SER A 55 -6.291 -9.231 -3.936 1.00 0.00 C ATOM 771 O SER A 55 -5.730 -9.109 -2.843 1.00 0.00 O ATOM 772 CB SER A 55 -5.984 -11.132 -5.530 1.00 0.00 C ATOM 773 OG SER A 55 -5.084 -11.765 -6.422 1.00 0.00 O ATOM 0 H SER A 55 -3.722 -10.551 -4.772 1.00 0.00 H new ATOM 0 HA SER A 55 -5.815 -9.031 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.050 -11.713 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.981 -11.119 -5.971 1.00 0.00 H new ATOM 0 HG SER A 55 -5.393 -12.676 -6.607 1.00 0.00 H new ATOM 779 N ASP A 56 -7.599 -9.108 -4.104 1.00 0.00 N ATOM 780 CA ASP A 56 -8.590 -8.737 -3.101 1.00 0.00 C ATOM 781 C ASP A 56 -8.673 -9.747 -1.958 1.00 0.00 C ATOM 782 O ASP A 56 -9.060 -9.412 -0.838 1.00 0.00 O ATOM 783 CB ASP A 56 -9.947 -8.634 -3.806 1.00 0.00 C ATOM 784 CG ASP A 56 -11.075 -8.347 -2.826 1.00 0.00 C ATOM 785 OD1 ASP A 56 -11.068 -7.277 -2.190 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.967 -9.220 -2.712 1.00 0.00 O ATOM 0 H ASP A 56 -8.029 -9.277 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.299 -7.787 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.908 -7.844 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.153 -9.565 -4.334 1.00 0.00 H new ATOM 791 N GLU A 57 -8.288 -10.997 -2.222 1.00 0.00 N ATOM 792 CA GLU A 57 -8.178 -12.009 -1.185 1.00 0.00 C ATOM 793 C GLU A 57 -6.970 -11.761 -0.287 1.00 0.00 C ATOM 794 O GLU A 57 -7.058 -12.047 0.907 1.00 0.00 O ATOM 795 CB GLU A 57 -8.031 -13.398 -1.806 1.00 0.00 C ATOM 796 CG GLU A 57 -9.371 -13.970 -2.268 1.00 0.00 C ATOM 797 CD GLU A 57 -9.143 -15.270 -3.032 1.00 0.00 C ATOM 798 OE1 GLU A 57 -8.665 -15.202 -4.189 1.00 0.00 O ATOM 799 OE2 GLU A 57 -9.474 -16.361 -2.513 1.00 0.00 O ATOM 0 H GLU A 57 -8.047 -11.329 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.089 -11.953 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.349 -13.344 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.581 -14.073 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.015 -14.152 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.884 -13.249 -2.904 1.00 0.00 H new ATOM 806 N GLU A 58 -5.850 -11.292 -0.839 1.00 0.00 N ATOM 807 CA GLU A 58 -4.609 -11.165 -0.090 1.00 0.00 C ATOM 808 C GLU A 58 -4.731 -9.968 0.857 1.00 0.00 C ATOM 809 O GLU A 58 -4.428 -10.068 2.041 1.00 0.00 O ATOM 810 CB GLU A 58 -3.418 -11.026 -1.054 1.00 0.00 C ATOM 811 CG GLU A 58 -3.455 -11.893 -2.333 1.00 0.00 C ATOM 812 CD GLU A 58 -3.484 -13.415 -2.135 1.00 0.00 C ATOM 813 OE1 GLU A 58 -3.940 -13.918 -1.087 1.00 0.00 O ATOM 814 OE2 GLU A 58 -3.113 -14.133 -3.097 1.00 0.00 O ATOM 0 H GLU A 58 -5.782 -10.993 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.428 -12.060 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.343 -9.981 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.507 -11.267 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.334 -11.609 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.582 -11.645 -2.937 1.00 0.00 H new ATOM 821 N LEU A 59 -5.266 -8.851 0.355 1.00 0.00 N ATOM 822 CA LEU A 59 -5.430 -7.599 1.088 1.00 0.00 C ATOM 823 C LEU A 59 -6.575 -7.611 2.117 1.00 0.00 C ATOM 824 O LEU A 59 -6.919 -6.563 2.665 1.00 0.00 O ATOM 825 CB LEU A 59 -5.621 -6.487 0.046 1.00 0.00 C ATOM 826 CG LEU A 59 -4.357 -5.728 -0.349 1.00 0.00 C ATOM 827 CD1 LEU A 59 -3.778 -4.960 0.845 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.289 -6.617 -0.987 1.00 0.00 C ATOM 0 H LEU A 59 -5.607 -8.795 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.538 -7.432 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.055 -6.926 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.346 -5.772 0.433 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.663 -5.015 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.878 -4.429 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.515 -4.244 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.529 -5.661 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.418 -6.013 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.996 -7.396 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.690 -7.076 -1.890 1.00 0.00 H new ATOM 840 N ALA A 60 -7.196 -8.761 2.375 1.00 0.00 N ATOM 841 CA ALA A 60 -8.368 -8.962 3.227 1.00 0.00 C ATOM 842 C ALA A 60 -8.065 -8.831 4.735 1.00 0.00 C ATOM 843 O ALA A 60 -8.570 -9.615 5.540 1.00 0.00 O ATOM 844 CB ALA A 60 -8.954 -10.340 2.904 1.00 0.00 C ATOM 0 H ALA A 60 -6.871 -9.637 1.966 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.086 -8.171 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.831 -10.517 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.241 -10.376 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.207 -11.109 3.103 1.00 0.00 H new ATOM 850 N VAL A 61 -7.255 -7.858 5.134 1.00 0.00 N ATOM 851 CA VAL A 61 -6.712 -7.690 6.480 1.00 0.00 C ATOM 852 C VAL A 61 -6.861 -6.241 6.958 1.00 0.00 C ATOM 853 O VAL A 61 -6.972 -5.306 6.172 1.00 0.00 O ATOM 854 CB VAL A 61 -5.232 -8.133 6.507 1.00 0.00 C ATOM 855 CG1 VAL A 61 -5.078 -9.645 6.647 1.00 0.00 C ATOM 856 CG2 VAL A 61 -4.461 -7.692 5.258 1.00 0.00 C ATOM 0 H VAL A 61 -6.942 -7.126 4.496 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.279 -8.320 7.166 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.813 -7.640 7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.019 -9.903 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.544 -9.974 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.561 -10.140 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.427 -8.030 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.924 -8.127 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.483 -6.605 5.182 1.00 0.00 H new ATOM 866 N GLU A 62 -6.814 -6.042 8.271 1.00 0.00 N ATOM 867 CA GLU A 62 -7.020 -4.754 8.940 1.00 0.00 C ATOM 868 C GLU A 62 -5.914 -3.728 8.650 1.00 0.00 C ATOM 869 O GLU A 62 -6.130 -2.519 8.736 1.00 0.00 O ATOM 870 CB GLU A 62 -7.170 -5.026 10.447 1.00 0.00 C ATOM 871 CG GLU A 62 -5.873 -5.592 11.050 1.00 0.00 C ATOM 872 CD GLU A 62 -6.008 -6.175 12.464 1.00 0.00 C ATOM 873 OE1 GLU A 62 -6.942 -6.981 12.702 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.102 -5.930 13.300 1.00 0.00 O ATOM 0 H GLU A 62 -6.624 -6.800 8.927 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.925 -4.294 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.438 -4.102 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.986 -5.730 10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.493 -6.371 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.125 -4.799 11.071 1.00 0.00 H new ATOM 881 N LYS A 63 -4.703 -4.194 8.352 1.00 0.00 N ATOM 882 CA LYS A 63 -3.503 -3.379 8.206 1.00 0.00 C ATOM 883 C LYS A 63 -2.545 -4.200 7.373 1.00 0.00 C ATOM 884 O LYS A 63 -2.409 -5.395 7.672 1.00 0.00 O ATOM 885 CB LYS A 63 -2.901 -3.130 9.607 1.00 0.00 C ATOM 886 CG LYS A 63 -1.613 -2.291 9.706 1.00 0.00 C ATOM 887 CD LYS A 63 -1.713 -0.888 9.125 1.00 0.00 C ATOM 888 CE LYS A 63 -0.535 0.005 9.549 1.00 0.00 C ATOM 889 NZ LYS A 63 -0.556 0.375 10.984 1.00 0.00 N ATOM 0 H LYS A 63 -4.526 -5.187 8.200 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.708 -2.416 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.663 -2.643 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.702 -4.101 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.327 -2.214 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.810 -2.823 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.746 -0.949 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.648 -0.430 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.399 -0.512 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.545 0.914 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.149 1.119 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.501 0.726 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.330 -0.460 11.561 1.00 0.00 H new ATOM 903 N VAL A 64 -1.852 -3.602 6.404 1.00 0.00 N ATOM 904 CA VAL A 64 -0.630 -4.207 5.908 1.00 0.00 C ATOM 905 C VAL A 64 0.477 -3.179 6.084 1.00 0.00 C ATOM 906 O VAL A 64 0.238 -1.968 6.036 1.00 0.00 O ATOM 907 CB VAL A 64 -0.782 -4.746 4.468 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.292 -5.786 4.169 1.00 0.00 C ATOM 909 CG2 VAL A 64 -2.135 -5.427 4.251 1.00 0.00 C ATOM 0 H VAL A 64 -2.112 -2.721 5.960 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.375 -5.100 6.478 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.692 -3.883 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.169 -6.154 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.277 -5.332 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.199 -6.617 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.199 -5.791 3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.235 -6.265 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.936 -4.711 4.432 1.00 0.00 H new ATOM 919 N THR A 65 1.690 -3.674 6.275 1.00 0.00 N ATOM 920 CA THR A 65 2.896 -2.885 6.328 1.00 0.00 C ATOM 921 C THR A 65 3.910 -3.603 5.450 1.00 0.00 C ATOM 922 O THR A 65 4.045 -4.825 5.498 1.00 0.00 O ATOM 923 CB THR A 65 3.368 -2.732 7.779 1.00 0.00 C ATOM 924 OG1 THR A 65 2.321 -2.226 8.592 1.00 0.00 O ATOM 925 CG2 THR A 65 4.554 -1.768 7.811 1.00 0.00 C ATOM 0 H THR A 65 1.860 -4.672 6.401 1.00 0.00 H new ATOM 0 HA THR A 65 2.744 -1.870 5.961 1.00 0.00 H new ATOM 0 HB THR A 65 3.664 -3.707 8.166 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.638 -2.136 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.900 -1.650 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.363 -2.166 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.246 -0.799 7.419 1.00 0.00 H new ATOM 933 N LEU A 66 4.609 -2.859 4.609 1.00 0.00 N ATOM 934 CA LEU A 66 5.477 -3.375 3.568 1.00 0.00 C ATOM 935 C LEU A 66 6.767 -2.586 3.640 1.00 0.00 C ATOM 936 O LEU A 66 6.748 -1.407 3.986 1.00 0.00 O ATOM 937 CB LEU A 66 4.786 -3.176 2.219 1.00 0.00 C ATOM 938 CG LEU A 66 3.636 -4.168 1.978 1.00 0.00 C ATOM 939 CD1 LEU A 66 2.750 -3.570 0.894 1.00 0.00 C ATOM 940 CD2 LEU A 66 4.129 -5.555 1.550 1.00 0.00 C ATOM 0 H LEU A 66 4.585 -1.840 4.635 1.00 0.00 H new ATOM 0 HA LEU A 66 5.686 -4.438 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.398 -2.159 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.522 -3.281 1.422 1.00 0.00 H new ATOM 0 HG LEU A 66 3.091 -4.317 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.918 -4.244 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.364 -2.608 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.333 -3.429 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.274 -6.213 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.695 -5.470 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.769 -5.970 2.329 1.00 0.00 H new ATOM 952 N SER A 67 7.888 -3.212 3.312 1.00 0.00 N ATOM 953 CA SER A 67 9.201 -2.596 3.469 1.00 0.00 C ATOM 954 C SER A 67 10.204 -3.272 2.542 1.00 0.00 C ATOM 955 O SER A 67 9.925 -4.324 1.974 1.00 0.00 O ATOM 956 CB SER A 67 9.635 -2.657 4.945 1.00 0.00 C ATOM 957 OG SER A 67 10.808 -1.895 5.171 1.00 0.00 O ATOM 0 H SER A 67 7.915 -4.158 2.931 1.00 0.00 H new ATOM 0 HA SER A 67 9.155 -1.544 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.830 -2.285 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.812 -3.694 5.231 1.00 0.00 H new ATOM 0 HG SER A 67 10.812 -1.117 4.576 1.00 0.00 H new ATOM 963 N THR A 68 11.354 -2.634 2.366 1.00 0.00 N ATOM 964 CA THR A 68 12.429 -3.070 1.493 1.00 0.00 C ATOM 965 C THR A 68 13.425 -3.912 2.286 1.00 0.00 C ATOM 966 O THR A 68 13.765 -3.555 3.414 1.00 0.00 O ATOM 967 CB THR A 68 13.124 -1.835 0.890 1.00 0.00 C ATOM 968 OG1 THR A 68 13.101 -0.692 1.737 1.00 0.00 O ATOM 969 CG2 THR A 68 12.456 -1.418 -0.415 1.00 0.00 C ATOM 0 H THR A 68 11.569 -1.762 2.850 1.00 0.00 H new ATOM 0 HA THR A 68 12.026 -3.680 0.685 1.00 0.00 H new ATOM 0 HB THR A 68 14.157 -2.149 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.285 -0.965 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.965 -0.544 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.514 -2.237 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.410 -1.174 -0.227 1.00 0.00 H new ATOM 977 N THR A 69 13.968 -4.975 1.692 1.00 0.00 N ATOM 978 CA THR A 69 15.005 -5.781 2.324 1.00 0.00 C ATOM 979 C THR A 69 16.404 -5.144 2.203 1.00 0.00 C ATOM 980 O THR A 69 17.381 -5.689 2.735 1.00 0.00 O ATOM 981 CB THR A 69 14.958 -7.216 1.768 1.00 0.00 C ATOM 982 OG1 THR A 69 15.087 -7.214 0.363 1.00 0.00 O ATOM 983 CG2 THR A 69 13.653 -7.936 2.129 1.00 0.00 C ATOM 0 H THR A 69 13.700 -5.298 0.762 1.00 0.00 H new ATOM 0 HA THR A 69 14.802 -5.823 3.394 1.00 0.00 H new ATOM 0 HB THR A 69 15.793 -7.747 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.711 -6.508 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.667 -8.944 1.715 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.555 -7.990 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.808 -7.386 1.716 1.00 0.00 H new ATOM 991 N GLY A 70 16.543 -3.984 1.548 1.00 0.00 N ATOM 992 CA GLY A 70 17.829 -3.348 1.280 1.00 0.00 C ATOM 993 C GLY A 70 17.704 -1.859 0.998 1.00 0.00 C ATOM 994 O GLY A 70 17.583 -1.053 1.911 1.00 0.00 O ATOM 0 H GLY A 70 15.749 -3.457 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.488 -3.497 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.300 -3.836 0.427 1.00 0.00 H new ATOM 998 N LYS A 71 17.719 -1.484 -0.275 1.00 0.00 N ATOM 999 CA LYS A 71 17.343 -0.182 -0.801 1.00 0.00 C ATOM 1000 C LYS A 71 16.465 -0.386 -2.015 1.00 0.00 C ATOM 1001 O LYS A 71 16.684 -1.326 -2.780 1.00 0.00 O ATOM 1002 CB LYS A 71 18.579 0.647 -1.193 1.00 0.00 C ATOM 1003 CG LYS A 71 19.506 0.019 -2.256 1.00 0.00 C ATOM 1004 CD LYS A 71 19.639 0.756 -3.611 1.00 0.00 C ATOM 1005 CE LYS A 71 18.353 0.871 -4.445 1.00 0.00 C ATOM 1006 NZ LYS A 71 18.524 0.392 -5.838 1.00 0.00 N ATOM 0 H LYS A 71 18.013 -2.124 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 71 16.807 0.366 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.240 1.615 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.166 0.835 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.502 -0.072 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.152 -0.992 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.015 1.761 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.391 0.242 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.561 0.297 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.028 1.911 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.597 0.349 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.144 1.046 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.951 -0.556 -5.829 1.00 0.00 H new ATOM 1020 N ALA A 72 15.586 0.559 -2.298 1.00 0.00 N ATOM 1021 CA ALA A 72 15.021 0.719 -3.620 1.00 0.00 C ATOM 1022 C ALA A 72 15.311 2.138 -4.094 1.00 0.00 C ATOM 1023 O ALA A 72 16.049 2.883 -3.442 1.00 0.00 O ATOM 1024 CB ALA A 72 13.549 0.305 -3.602 1.00 0.00 C ATOM 0 H ALA A 72 15.246 1.236 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 72 15.479 0.059 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.125 0.426 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.468 -0.739 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.003 0.932 -2.897 1.00 0.00 H new ATOM 1030 N ILE A 73 14.832 2.457 -5.289 1.00 0.00 N ATOM 1031 CA ILE A 73 14.888 3.816 -5.841 1.00 0.00 C ATOM 1032 C ILE A 73 13.465 4.404 -5.923 1.00 0.00 C ATOM 1033 O ILE A 73 13.273 5.603 -6.139 1.00 0.00 O ATOM 1034 CB ILE A 73 15.568 3.772 -7.232 1.00 0.00 C ATOM 1035 CG1 ILE A 73 16.844 2.903 -7.312 1.00 0.00 C ATOM 1036 CG2 ILE A 73 15.922 5.171 -7.724 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.087 3.483 -6.630 1.00 0.00 C ATOM 0 H ILE A 73 14.390 1.780 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 73 15.478 4.463 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 73 14.816 3.305 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.628 1.932 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.077 2.728 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.397 5.103 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 73 15.014 5.770 -7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 73 16.608 5.642 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.922 2.792 -6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.340 4.439 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 73 17.885 3.631 -5.569 1.00 0.00 H new ATOM 1049 N GLU A 74 12.459 3.544 -5.781 1.00 0.00 N ATOM 1050 CA GLU A 74 11.077 3.767 -6.148 1.00 0.00 C ATOM 1051 C GLU A 74 10.212 2.963 -5.172 1.00 0.00 C ATOM 1052 O GLU A 74 10.750 2.079 -4.500 1.00 0.00 O ATOM 1053 CB GLU A 74 10.947 3.354 -7.637 1.00 0.00 C ATOM 1054 CG GLU A 74 10.947 1.886 -7.966 1.00 0.00 C ATOM 1055 CD GLU A 74 9.646 1.155 -7.686 1.00 0.00 C ATOM 1056 OE1 GLU A 74 8.651 1.416 -8.402 1.00 0.00 O ATOM 1057 OE2 GLU A 74 9.695 0.278 -6.807 1.00 0.00 O ATOM 0 H GLU A 74 12.604 2.617 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 74 10.742 4.801 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.022 3.782 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.766 3.819 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.190 1.768 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.744 1.404 -7.399 1.00 0.00 H new ATOM 1064 N PHE A 75 8.918 3.285 -5.102 1.00 0.00 N ATOM 1065 CA PHE A 75 7.829 2.570 -4.448 1.00 0.00 C ATOM 1066 C PHE A 75 6.554 2.980 -5.192 1.00 0.00 C ATOM 1067 O PHE A 75 5.996 4.051 -4.933 1.00 0.00 O ATOM 1068 CB PHE A 75 7.731 2.886 -2.925 1.00 0.00 C ATOM 1069 CG PHE A 75 7.967 1.726 -1.962 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.887 0.712 -2.300 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.310 1.667 -0.707 1.00 0.00 C ATOM 1072 CE1 PHE A 75 9.158 -0.346 -1.425 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.706 0.675 0.218 1.00 0.00 C ATOM 1074 CZ PHE A 75 8.593 -0.351 -0.143 1.00 0.00 C ATOM 0 H PHE A 75 8.578 4.137 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 75 7.995 1.494 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.452 3.670 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.740 3.295 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.393 0.753 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.523 2.366 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.801 -1.156 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.317 0.707 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.837 -1.135 0.559 1.00 0.00 H new ATOM 1084 N ALA A 76 6.120 2.169 -6.155 1.00 0.00 N ATOM 1085 CA ALA A 76 4.900 2.407 -6.911 1.00 0.00 C ATOM 1086 C ALA A 76 3.712 1.710 -6.242 1.00 0.00 C ATOM 1087 O ALA A 76 3.685 0.478 -6.189 1.00 0.00 O ATOM 1088 CB ALA A 76 5.102 1.941 -8.352 1.00 0.00 C ATOM 0 H ALA A 76 6.613 1.320 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 76 4.675 3.473 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.190 2.117 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.925 2.496 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.335 0.876 -8.361 1.00 0.00 H new ATOM 1094 N VAL A 77 2.737 2.480 -5.745 1.00 0.00 N ATOM 1095 CA VAL A 77 1.583 1.989 -5.002 1.00 0.00 C ATOM 1096 C VAL A 77 0.309 2.577 -5.628 1.00 0.00 C ATOM 1097 O VAL A 77 0.086 3.788 -5.604 1.00 0.00 O ATOM 1098 CB VAL A 77 1.752 2.325 -3.503 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.578 1.773 -2.679 1.00 0.00 C ATOM 1100 CG2 VAL A 77 3.076 1.757 -2.950 1.00 0.00 C ATOM 0 H VAL A 77 2.735 3.494 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 77 1.500 0.904 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 77 1.770 3.411 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.722 2.023 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.354 2.214 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.532 0.690 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.167 2.009 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.084 0.673 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.914 2.187 -3.499 1.00 0.00 H new ATOM 1110 N SER A 78 -0.536 1.708 -6.184 1.00 0.00 N ATOM 1111 CA SER A 78 -1.845 2.002 -6.756 1.00 0.00 C ATOM 1112 C SER A 78 -2.809 0.875 -6.356 1.00 0.00 C ATOM 1113 O SER A 78 -2.383 -0.145 -5.808 1.00 0.00 O ATOM 1114 CB SER A 78 -1.693 2.214 -8.270 1.00 0.00 C ATOM 1115 OG SER A 78 -2.917 2.516 -8.911 1.00 0.00 O ATOM 0 H SER A 78 -0.307 0.716 -6.250 1.00 0.00 H new ATOM 0 HA SER A 78 -2.273 2.927 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.986 3.024 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.267 1.315 -8.716 1.00 0.00 H new ATOM 0 HG SER A 78 -2.761 2.642 -9.870 1.00 0.00 H new ATOM 1121 N GLY A 79 -4.105 1.086 -6.587 1.00 0.00 N ATOM 1122 CA GLY A 79 -5.232 0.371 -5.996 1.00 0.00 C ATOM 1123 C GLY A 79 -6.481 1.244 -6.135 1.00 0.00 C ATOM 1124 O GLY A 79 -6.501 2.124 -7.001 1.00 0.00 O ATOM 0 H GLY A 79 -4.414 1.810 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.380 -0.586 -6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.035 0.154 -4.946 1.00 0.00 H new ATOM 1128 N GLY A 80 -7.503 1.057 -5.295 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.715 1.893 -5.248 1.00 0.00 C ATOM 1130 C GLY A 80 -9.989 1.069 -5.050 1.00 0.00 C ATOM 1131 O GLY A 80 -10.267 0.161 -5.830 1.00 0.00 O ATOM 0 H GLY A 80 -7.515 0.302 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.623 2.615 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.795 2.463 -6.174 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.767 1.372 -4.014 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.891 0.542 -3.581 1.00 0.00 C ATOM 1137 C VAL A 81 -13.211 1.215 -3.950 1.00 0.00 C ATOM 1138 O VAL A 81 -13.641 2.188 -3.325 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.801 0.205 -2.079 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -11.039 -1.105 -1.858 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -11.148 1.305 -1.246 1.00 0.00 C ATOM 0 H VAL A 81 -10.635 2.208 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.845 -0.411 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 81 -12.832 0.105 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.989 -1.321 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.556 -1.917 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.029 -1.010 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.118 1.000 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.133 1.477 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.726 2.224 -1.340 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.159 -2.020 5.418 1.00 0.00 N ATOM 1267 CA GLU A 91 -20.710 -0.687 5.807 1.00 0.00 C ATOM 1268 C GLU A 91 -19.654 -0.167 4.827 1.00 0.00 C ATOM 1269 O GLU A 91 -19.020 -0.982 4.155 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.101 -0.742 7.213 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.158 -0.504 8.288 1.00 0.00 C ATOM 1272 CD GLU A 91 -20.597 -0.021 9.626 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -19.364 0.162 9.775 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -21.415 0.175 10.559 1.00 0.00 O ATOM 0 HA GLU A 91 -21.568 -0.015 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.632 -1.713 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.316 0.009 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.874 0.231 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.708 -1.431 8.451 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.421 1.160 4.789 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.353 1.771 4.015 1.00 0.00 C ATOM 1283 C PRO A 92 -16.994 1.634 4.713 1.00 0.00 C ATOM 1284 O PRO A 92 -16.905 1.104 5.830 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.782 3.235 3.859 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.459 3.512 5.198 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.171 2.192 5.495 1.00 0.00 C ATOM 0 HA PRO A 92 -18.213 1.286 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.930 3.894 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.465 3.373 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.735 3.765 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.160 4.344 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.193 1.994 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.206 2.223 5.155 1.00 0.00 H new ATOM 1295 N MET A 93 -15.926 2.129 4.075 1.00 0.00 N ATOM 1296 CA MET A 93 -14.561 1.946 4.529 1.00 0.00 C ATOM 1297 C MET A 93 -13.755 3.233 4.386 1.00 0.00 C ATOM 1298 O MET A 93 -14.171 4.209 3.763 1.00 0.00 O ATOM 1299 CB MET A 93 -13.895 0.741 3.832 1.00 0.00 C ATOM 1300 CG MET A 93 -13.388 0.959 2.400 1.00 0.00 C ATOM 1301 SD MET A 93 -12.536 -0.472 1.656 1.00 0.00 S ATOM 1302 CE MET A 93 -11.476 -1.046 3.002 1.00 0.00 C ATOM 0 H MET A 93 -15.998 2.675 3.216 1.00 0.00 H new ATOM 0 HA MET A 93 -14.584 1.712 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.053 0.418 4.444 1.00 0.00 H new ATOM 0 HB3 MET A 93 -14.611 -0.080 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.235 1.227 1.768 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.706 1.810 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.735 -1.742 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.969 -0.194 3.455 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.084 -1.549 3.755 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.567 3.223 4.973 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.562 4.265 4.917 1.00 0.00 C ATOM 1314 C GLN A 94 -10.226 3.562 4.804 1.00 0.00 C ATOM 1315 O GLN A 94 -10.071 2.460 5.340 1.00 0.00 O ATOM 1316 CB GLN A 94 -11.571 5.051 6.229 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.757 6.012 6.331 1.00 0.00 C ATOM 1318 CD GLN A 94 -12.840 6.641 7.726 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -12.055 6.341 8.628 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -13.803 7.514 7.953 1.00 0.00 N ATOM 0 H GLN A 94 -12.263 2.431 5.539 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.747 4.944 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.600 4.353 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.642 5.615 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.659 6.796 5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.682 5.477 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -14.453 7.762 7.207 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.898 7.941 8.875 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.254 4.210 4.173 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.868 3.782 4.201 1.00 0.00 C ATOM 1331 C TRP A 95 -7.065 4.901 4.859 1.00 0.00 C ATOM 1332 O TRP A 95 -7.401 6.082 4.728 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.348 3.465 2.786 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.869 2.245 2.067 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.787 1.367 2.525 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.387 1.652 0.817 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -8.988 0.363 1.606 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -8.112 0.454 0.557 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -6.316 1.932 -0.052 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -7.838 -0.384 -0.532 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -5.974 1.051 -1.098 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -6.756 -0.083 -1.369 1.00 0.00 C ATOM 0 H TRP A 95 -9.411 5.055 3.623 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.765 2.858 4.770 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.558 4.331 2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.264 3.371 2.848 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.292 1.442 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.702 -0.360 1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.745 2.839 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -8.453 -1.251 -0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.099 1.251 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.526 -0.716 -2.213 1.00 0.00 H new ATOM 1353 N VAL A 96 -5.965 4.551 5.512 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.897 5.486 5.858 1.00 0.00 C ATOM 1355 C VAL A 96 -3.643 4.848 5.283 1.00 0.00 C ATOM 1356 O VAL A 96 -3.501 3.626 5.333 1.00 0.00 O ATOM 1357 CB VAL A 96 -4.829 5.801 7.368 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -3.951 7.026 7.651 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -6.222 6.007 7.992 1.00 0.00 C ATOM 0 H VAL A 96 -5.785 3.596 5.822 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.057 6.479 5.437 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.377 4.926 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.927 7.217 8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.939 6.838 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.362 7.895 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.116 6.226 9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.722 6.840 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.815 5.101 7.865 1.00 0.00 H new ATOM 1369 N VAL A 97 -2.808 5.625 4.602 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.725 5.064 3.814 1.00 0.00 C ATOM 1371 C VAL A 97 -0.602 6.087 3.992 1.00 0.00 C ATOM 1372 O VAL A 97 -0.827 7.286 3.795 1.00 0.00 O ATOM 1373 CB VAL A 97 -2.172 4.839 2.342 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -1.392 3.721 1.640 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -3.678 4.616 2.110 1.00 0.00 C ATOM 0 H VAL A 97 -2.863 6.643 4.582 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.399 4.072 4.127 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.932 5.803 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.751 3.614 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.331 3.970 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.539 2.783 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.865 4.471 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.004 3.733 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.233 5.486 2.461 1.00 0.00 H new ATOM 1385 N THR A 98 0.571 5.666 4.458 1.00 0.00 N ATOM 1386 CA THR A 98 1.588 6.568 4.993 1.00 0.00 C ATOM 1387 C THR A 98 2.920 6.008 4.511 1.00 0.00 C ATOM 1388 O THR A 98 3.026 4.793 4.279 1.00 0.00 O ATOM 1389 CB THR A 98 1.474 6.601 6.535 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.132 6.829 6.930 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.324 7.659 7.237 1.00 0.00 C ATOM 0 H THR A 98 0.845 4.684 4.475 1.00 0.00 H new ATOM 0 HA THR A 98 1.476 7.599 4.657 1.00 0.00 H new ATOM 0 HB THR A 98 1.846 5.623 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.077 6.845 7.908 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.169 7.595 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.377 7.489 7.011 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.034 8.650 6.887 1.00 0.00 H new ATOM 1399 N VAL A 99 3.915 6.871 4.321 1.00 0.00 N ATOM 1400 CA VAL A 99 5.230 6.447 3.851 1.00 0.00 C ATOM 1401 C VAL A 99 6.319 6.894 4.807 1.00 0.00 C ATOM 1402 O VAL A 99 6.359 8.045 5.248 1.00 0.00 O ATOM 1403 CB VAL A 99 5.510 6.868 2.392 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.853 6.264 1.929 1.00 0.00 C ATOM 1405 CG2 VAL A 99 4.342 6.462 1.473 1.00 0.00 C ATOM 0 H VAL A 99 3.834 7.874 4.487 1.00 0.00 H new ATOM 0 HA VAL A 99 5.232 5.357 3.841 1.00 0.00 H new ATOM 0 HB VAL A 99 5.591 7.953 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.050 6.562 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.656 6.626 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.803 5.177 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.561 6.768 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.211 5.381 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.427 6.950 1.810 1.00 0.00 H new ATOM 1415 N TYR A 100 7.218 5.952 5.065 1.00 0.00 N ATOM 1416 CA TYR A 100 8.436 6.061 5.822 1.00 0.00 C ATOM 1417 C TYR A 100 9.601 5.743 4.887 1.00 0.00 C ATOM 1418 O TYR A 100 9.451 5.113 3.837 1.00 0.00 O ATOM 1419 CB TYR A 100 8.378 5.096 7.014 1.00 0.00 C ATOM 1420 CG TYR A 100 7.198 5.340 7.936 1.00 0.00 C ATOM 1421 CD1 TYR A 100 7.294 6.301 8.959 1.00 0.00 C ATOM 1422 CD2 TYR A 100 5.980 4.662 7.720 1.00 0.00 C ATOM 1423 CE1 TYR A 100 6.165 6.631 9.727 1.00 0.00 C ATOM 1424 CE2 TYR A 100 4.846 4.985 8.488 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.931 5.995 9.473 1.00 0.00 C ATOM 1426 OH TYR A 100 3.817 6.377 10.152 1.00 0.00 O ATOM 0 H TYR A 100 7.089 5.005 4.710 1.00 0.00 H new ATOM 0 HA TYR A 100 8.570 7.067 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.331 4.073 6.641 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.301 5.184 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.239 6.787 9.154 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.918 3.894 6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.241 7.370 10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.914 4.463 8.325 1.00 0.00 H new ATOM 0 HH TYR A 100 3.606 7.309 9.936 1.00 0.00 H new ATOM 1436 N LYS A 101 10.779 6.211 5.272 1.00 0.00 N ATOM 1437 CA LYS A 101 11.999 6.273 4.498 1.00 0.00 C ATOM 1438 C LYS A 101 13.082 5.549 5.294 1.00 0.00 C ATOM 1439 O LYS A 101 12.795 4.658 6.100 1.00 0.00 O ATOM 1440 CB LYS A 101 12.308 7.761 4.262 1.00 0.00 C ATOM 1441 CG LYS A 101 13.145 8.046 3.007 1.00 0.00 C ATOM 1442 CD LYS A 101 12.301 8.611 1.856 1.00 0.00 C ATOM 1443 CE LYS A 101 13.119 9.400 0.829 1.00 0.00 C ATOM 1444 NZ LYS A 101 12.289 10.075 -0.201 1.00 0.00 N ATOM 0 H LYS A 101 10.911 6.586 6.211 1.00 0.00 H new ATOM 0 HA LYS A 101 11.927 5.788 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.368 8.307 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.836 8.152 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.937 8.753 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.630 7.126 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.794 7.789 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.527 9.259 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.716 10.148 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.816 8.723 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.906 10.589 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.738 9.364 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.641 10.745 0.260 1.00 0.00 H new ATOM 1458 N ASN A 102 14.332 5.939 5.064 1.00 0.00 N ATOM 1459 CA ASN A 102 15.484 5.729 5.925 1.00 0.00 C ATOM 1460 C ASN A 102 15.221 6.305 7.339 1.00 0.00 C ATOM 1461 O ASN A 102 15.806 7.322 7.713 1.00 0.00 O ATOM 1462 CB ASN A 102 16.723 6.410 5.298 1.00 0.00 C ATOM 1463 CG ASN A 102 16.963 6.059 3.838 1.00 0.00 C ATOM 1464 OD1 ASN A 102 17.483 4.996 3.508 1.00 0.00 O ATOM 1465 ND2 ASN A 102 16.587 6.939 2.923 1.00 0.00 N ATOM 0 H ASN A 102 14.580 6.444 4.213 1.00 0.00 H new ATOM 0 HA ASN A 102 15.664 4.658 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.611 7.491 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 102 17.605 6.133 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.728 6.737 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 102 16.156 7.819 3.208 1.00 0.00 H new ATOM 1472 N GLY A 103 14.315 5.725 8.129 1.00 0.00 N ATOM 1473 CA GLY A 103 14.062 6.120 9.514 1.00 0.00 C ATOM 1474 C GLY A 103 13.515 7.544 9.644 1.00 0.00 C ATOM 1475 O GLY A 103 14.149 8.375 10.291 1.00 0.00 O ATOM 0 H GLY A 103 13.726 4.953 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.353 5.423 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.988 6.040 10.083 1.00 0.00 H new ATOM 1479 N LYS A 104 12.370 7.835 9.023 1.00 0.00 N ATOM 1480 CA LYS A 104 11.465 8.963 9.258 1.00 0.00 C ATOM 1481 C LYS A 104 10.295 8.826 8.287 1.00 0.00 C ATOM 1482 O LYS A 104 10.477 8.321 7.175 1.00 0.00 O ATOM 1483 CB LYS A 104 12.163 10.311 9.001 1.00 0.00 C ATOM 1484 CG LYS A 104 12.266 11.212 10.231 1.00 0.00 C ATOM 1485 CD LYS A 104 10.885 11.718 10.679 1.00 0.00 C ATOM 1486 CE LYS A 104 10.930 13.123 11.278 1.00 0.00 C ATOM 1487 NZ LYS A 104 11.671 13.199 12.560 1.00 0.00 N ATOM 0 H LYS A 104 12.021 7.234 8.276 1.00 0.00 H new ATOM 0 HA LYS A 104 11.136 8.946 10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.166 10.120 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.621 10.844 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.735 10.662 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.911 12.062 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.208 11.715 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.473 11.028 11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.393 13.800 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.910 13.474 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.662 14.179 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.218 12.578 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.654 12.894 12.411 1.00 0.00 H new ATOM 1501 N GLU A 105 9.137 9.368 8.653 1.00 0.00 N ATOM 1502 CA GLU A 105 7.982 9.572 7.776 1.00 0.00 C ATOM 1503 C GLU A 105 8.342 10.588 6.671 1.00 0.00 C ATOM 1504 O GLU A 105 9.245 11.415 6.859 1.00 0.00 O ATOM 1505 CB GLU A 105 6.812 10.047 8.664 1.00 0.00 C ATOM 1506 CG GLU A 105 5.416 9.725 8.108 1.00 0.00 C ATOM 1507 CD GLU A 105 4.336 9.967 9.174 1.00 0.00 C ATOM 1508 OE1 GLU A 105 3.860 11.121 9.270 1.00 0.00 O ATOM 1509 OE2 GLU A 105 4.017 9.025 9.943 1.00 0.00 O ATOM 0 H GLU A 105 8.968 9.691 9.606 1.00 0.00 H new ATOM 0 HA GLU A 105 7.689 8.654 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.911 9.590 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.893 11.125 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.216 10.344 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.382 8.687 7.778 1.00 0.00 H new ATOM 1516 N ILE A 106 7.648 10.548 5.527 1.00 0.00 N ATOM 1517 CA ILE A 106 7.681 11.577 4.489 1.00 0.00 C ATOM 1518 C ILE A 106 6.302 11.938 3.927 1.00 0.00 C ATOM 1519 O ILE A 106 6.177 12.996 3.300 1.00 0.00 O ATOM 1520 CB ILE A 106 8.598 11.160 3.321 1.00 0.00 C ATOM 1521 CG1 ILE A 106 8.262 9.747 2.784 1.00 0.00 C ATOM 1522 CG2 ILE A 106 10.064 11.268 3.752 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.715 9.551 1.338 1.00 0.00 C ATOM 0 H ILE A 106 7.029 9.772 5.294 1.00 0.00 H new ATOM 0 HA ILE A 106 8.075 12.464 4.986 1.00 0.00 H new ATOM 0 HB ILE A 106 8.424 11.845 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.739 8.998 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.187 9.582 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.709 10.973 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.285 12.297 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.242 10.611 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.456 8.545 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.218 10.281 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.794 9.688 1.273 1.00 0.00 H new ATOM 1535 N GLU A 107 5.273 11.115 4.120 1.00 0.00 N ATOM 1536 CA GLU A 107 3.985 11.292 3.451 1.00 0.00 C ATOM 1537 C GLU A 107 2.916 10.726 4.370 1.00 0.00 C ATOM 1538 O GLU A 107 3.063 9.596 4.837 1.00 0.00 O ATOM 1539 CB GLU A 107 3.995 10.526 2.120 1.00 0.00 C ATOM 1540 CG GLU A 107 2.913 10.958 1.115 1.00 0.00 C ATOM 1541 CD GLU A 107 3.385 12.097 0.203 1.00 0.00 C ATOM 1542 OE1 GLU A 107 3.353 13.275 0.639 1.00 0.00 O ATOM 1543 OE2 GLU A 107 3.807 11.831 -0.952 1.00 0.00 O ATOM 0 H GLU A 107 5.308 10.308 4.743 1.00 0.00 H new ATOM 0 HA GLU A 107 3.790 12.344 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.973 10.649 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.873 9.463 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.626 10.102 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.023 11.276 1.658 1.00 0.00 H new ATOM 1550 N LYS A 108 1.868 11.501 4.639 1.00 0.00 N ATOM 1551 CA LYS A 108 0.810 11.150 5.572 1.00 0.00 C ATOM 1552 C LYS A 108 -0.518 11.529 4.934 1.00 0.00 C ATOM 1553 O LYS A 108 -0.838 12.720 4.849 1.00 0.00 O ATOM 1554 CB LYS A 108 1.071 11.889 6.899 1.00 0.00 C ATOM 1555 CG LYS A 108 0.010 11.573 7.960 1.00 0.00 C ATOM 1556 CD LYS A 108 0.215 12.421 9.223 1.00 0.00 C ATOM 1557 CE LYS A 108 -0.904 12.203 10.250 1.00 0.00 C ATOM 1558 NZ LYS A 108 -2.216 12.701 9.781 1.00 0.00 N ATOM 0 H LYS A 108 1.731 12.412 4.201 1.00 0.00 H new ATOM 0 HA LYS A 108 0.783 10.083 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.055 11.613 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.090 12.963 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.983 11.760 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.055 10.515 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.175 12.172 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.255 13.475 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.983 11.139 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.641 12.706 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.900 12.669 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.116 13.681 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.556 12.103 9.001 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.304 10.546 4.484 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.688 10.810 4.071 1.00 0.00 C ATOM 1574 C LYS A 109 -3.631 9.649 4.389 1.00 0.00 C ATOM 1575 O LYS A 109 -3.211 8.560 4.776 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.755 11.199 2.580 1.00 0.00 C ATOM 1577 CG LYS A 109 -2.314 10.095 1.604 1.00 0.00 C ATOM 1578 CD LYS A 109 -2.986 10.270 0.236 1.00 0.00 C ATOM 1579 CE LYS A 109 -2.729 9.054 -0.662 1.00 0.00 C ATOM 1580 NZ LYS A 109 -3.646 9.048 -1.823 1.00 0.00 N ATOM 0 H LYS A 109 -1.012 9.573 4.397 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.037 11.658 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.778 11.489 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.129 12.077 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.231 10.120 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.568 9.118 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.059 10.408 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.606 11.170 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.696 9.067 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.860 8.138 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.979 8.078 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.460 9.664 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.144 9.398 -2.664 1.00 0.00 H new ATOM 1594 N SER A 110 -4.920 9.876 4.171 1.00 0.00 N ATOM 1595 CA SER A 110 -6.005 8.936 4.255 1.00 0.00 C ATOM 1596 C SER A 110 -6.931 9.108 3.056 1.00 0.00 C ATOM 1597 O SER A 110 -6.769 10.048 2.276 1.00 0.00 O ATOM 1598 CB SER A 110 -6.737 9.164 5.577 1.00 0.00 C ATOM 1599 OG SER A 110 -6.662 10.487 6.069 1.00 0.00 O ATOM 0 H SER A 110 -5.250 10.805 3.909 1.00 0.00 H new ATOM 0 HA SER A 110 -5.634 7.911 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.786 8.897 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.326 8.487 6.326 1.00 0.00 H new ATOM 0 HG SER A 110 -7.155 10.550 6.914 1.00 0.00 H new ATOM 1605 N LEU A 111 -7.890 8.193 2.913 1.00 0.00 N ATOM 1606 CA LEU A 111 -8.896 8.166 1.870 1.00 0.00 C ATOM 1607 C LEU A 111 -10.191 7.764 2.566 1.00 0.00 C ATOM 1608 O LEU A 111 -10.164 7.024 3.555 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.548 7.128 0.785 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.073 7.074 0.340 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -6.888 5.925 -0.643 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -6.546 8.369 -0.290 1.00 0.00 C ATOM 0 H LEU A 111 -7.984 7.411 3.561 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.970 9.133 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.831 6.141 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.163 7.330 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.490 6.926 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.846 5.882 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.159 4.986 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.526 6.083 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.501 8.238 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.134 8.608 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.628 9.183 0.430 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.329 8.195 2.042 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.637 7.849 2.572 1.00 0.00 C ATOM 1626 C VAL A 112 -13.472 7.361 1.404 1.00 0.00 C ATOM 1627 O VAL A 112 -13.415 7.945 0.319 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.231 9.048 3.340 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -13.348 10.347 2.521 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.602 8.713 3.947 1.00 0.00 C ATOM 0 H VAL A 112 -11.369 8.804 1.225 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.596 7.047 3.309 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.504 9.237 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.775 11.133 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -12.359 10.652 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.993 10.177 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -14.987 9.583 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.295 8.439 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.499 7.879 4.641 1.00 0.00 H new ATOM 1640 N PHE A 113 -14.237 6.303 1.638 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.091 5.663 0.662 1.00 0.00 C ATOM 1642 C PHE A 113 -16.494 5.621 1.265 1.00 0.00 C ATOM 1643 O PHE A 113 -16.677 5.889 2.458 1.00 0.00 O ATOM 1644 CB PHE A 113 -14.499 4.292 0.305 1.00 0.00 C ATOM 1645 CG PHE A 113 -13.052 4.374 -0.156 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -12.757 4.759 -1.476 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -11.996 4.131 0.748 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -11.421 4.888 -1.890 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -10.659 4.241 0.330 1.00 0.00 C ATOM 1650 CZ PHE A 113 -10.373 4.625 -0.992 1.00 0.00 C ATOM 0 H PHE A 113 -14.277 5.853 2.553 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.156 6.202 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -14.562 3.637 1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -15.100 3.836 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -13.559 4.956 -2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -12.217 3.858 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.198 5.191 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.855 4.032 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.347 4.718 -1.317 1.00 0.00 H new ATOM 1796 N ASP A 123 -7.229 7.476 -6.662 1.00 0.00 N ATOM 1797 CA ASP A 123 -6.927 7.732 -5.248 1.00 0.00 C ATOM 1798 C ASP A 123 -5.544 7.281 -4.800 1.00 0.00 C ATOM 1799 O ASP A 123 -4.849 7.955 -4.033 1.00 0.00 O ATOM 1800 CB ASP A 123 -7.927 6.924 -4.395 1.00 0.00 C ATOM 1801 CG ASP A 123 -8.611 7.763 -3.310 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -8.103 8.844 -2.942 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -9.692 7.344 -2.849 1.00 0.00 O ATOM 0 HA ASP A 123 -6.987 8.813 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.688 6.495 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.404 6.091 -3.925 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.153 6.085 -5.225 1.00 0.00 N ATOM 1809 CA LEU A 124 -3.866 5.531 -4.892 1.00 0.00 C ATOM 1810 C LEU A 124 -2.895 5.961 -5.971 1.00 0.00 C ATOM 1811 O LEU A 124 -2.586 5.218 -6.901 1.00 0.00 O ATOM 1812 CB LEU A 124 -3.959 4.025 -4.694 1.00 0.00 C ATOM 1813 CG LEU A 124 -4.560 3.480 -3.402 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -3.928 4.125 -2.162 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -6.067 3.641 -3.422 1.00 0.00 C ATOM 0 H LEU A 124 -5.728 5.479 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.498 5.907 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.540 3.620 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.951 3.619 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.333 2.416 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.384 3.709 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.857 3.923 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.093 5.202 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.487 3.249 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -6.319 4.697 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.480 3.092 -4.268 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.461 7.208 -5.852 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.649 7.931 -6.825 1.00 0.00 C ATOM 1829 C ASN A 125 -0.295 8.265 -6.202 1.00 0.00 C ATOM 1830 O ASN A 125 0.085 9.435 -6.090 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.399 9.163 -7.383 1.00 0.00 C ATOM 1832 CG ASN A 125 -3.078 10.058 -6.348 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -4.301 10.147 -6.276 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -2.323 10.737 -5.504 1.00 0.00 N ATOM 0 H ASN A 125 -2.676 7.774 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.461 7.299 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.692 9.768 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.156 8.815 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.756 11.331 -4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.307 10.667 -5.559 1.00 0.00 H new ATOM 1841 N LEU A 126 0.440 7.239 -5.766 1.00 0.00 N ATOM 1842 CA LEU A 126 1.728 7.397 -5.099 1.00 0.00 C ATOM 1843 C LEU A 126 2.759 6.577 -5.858 1.00 0.00 C ATOM 1844 O LEU A 126 2.726 5.346 -5.827 1.00 0.00 O ATOM 1845 CB LEU A 126 1.674 6.971 -3.627 1.00 0.00 C ATOM 1846 CG LEU A 126 0.583 7.636 -2.764 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.728 7.042 -1.362 1.00 0.00 C ATOM 1848 CD2 LEU A 126 0.570 9.172 -2.701 1.00 0.00 C ATOM 0 H LEU A 126 0.152 6.266 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 126 2.001 8.452 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.530 5.891 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.643 7.180 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.372 7.420 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.023 7.478 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.587 5.962 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.723 7.262 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.247 9.503 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.517 9.527 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.431 9.576 -3.704 1.00 0.00 H new ATOM 1860 N TYR A 127 3.645 7.263 -6.569 1.00 0.00 N ATOM 1861 CA TYR A 127 4.647 6.657 -7.425 1.00 0.00 C ATOM 1862 C TYR A 127 5.971 7.336 -7.104 1.00 0.00 C ATOM 1863 O TYR A 127 6.408 8.294 -7.751 1.00 0.00 O ATOM 1864 CB TYR A 127 4.209 6.729 -8.895 1.00 0.00 C ATOM 1865 CG TYR A 127 4.727 5.624 -9.796 1.00 0.00 C ATOM 1866 CD1 TYR A 127 6.101 5.314 -9.863 1.00 0.00 C ATOM 1867 CD2 TYR A 127 3.822 4.959 -10.645 1.00 0.00 C ATOM 1868 CE1 TYR A 127 6.560 4.337 -10.765 1.00 0.00 C ATOM 1869 CE2 TYR A 127 4.275 3.987 -11.551 1.00 0.00 C ATOM 1870 CZ TYR A 127 5.646 3.669 -11.611 1.00 0.00 C ATOM 1871 OH TYR A 127 6.077 2.718 -12.480 1.00 0.00 O ATOM 0 H TYR A 127 3.684 8.282 -6.563 1.00 0.00 H new ATOM 0 HA TYR A 127 4.771 5.590 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 127 3.120 6.719 -8.930 1.00 0.00 H new ATOM 0 HB3 TYR A 127 4.533 7.686 -9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.802 5.827 -9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 127 2.770 5.199 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 127 7.612 4.097 -10.811 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.574 3.484 -12.201 1.00 0.00 H new ATOM 0 HH TYR A 127 5.314 2.363 -12.982 1.00 0.00 H new ATOM 1881 N TYR A 128 6.594 6.858 -6.034 1.00 0.00 N ATOM 1882 CA TYR A 128 7.983 7.160 -5.758 1.00 0.00 C ATOM 1883 C TYR A 128 8.797 6.407 -6.792 1.00 0.00 C ATOM 1884 O TYR A 128 8.512 5.242 -7.043 1.00 0.00 O ATOM 1885 CB TYR A 128 8.275 6.802 -4.290 1.00 0.00 C ATOM 1886 CG TYR A 128 7.584 7.731 -3.301 1.00 0.00 C ATOM 1887 CD1 TYR A 128 7.455 9.108 -3.593 1.00 0.00 C ATOM 1888 CD2 TYR A 128 7.051 7.230 -2.096 1.00 0.00 C ATOM 1889 CE1 TYR A 128 6.860 9.996 -2.690 1.00 0.00 C ATOM 1890 CE2 TYR A 128 6.460 8.128 -1.186 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.409 9.507 -1.457 1.00 0.00 C ATOM 1892 OH TYR A 128 5.961 10.366 -0.515 1.00 0.00 O ATOM 0 H TYR A 128 6.150 6.255 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 128 8.245 8.214 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.955 5.777 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.351 6.836 -4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.825 9.484 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.095 6.174 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.750 11.041 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.039 7.752 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 128 5.344 11.008 -0.924 1.00 0.00 H new ATOM 1902 N ASN A 129 9.750 7.084 -7.429 1.00 0.00 N ATOM 1903 CA ASN A 129 10.740 6.579 -8.379 1.00 0.00 C ATOM 1904 C ASN A 129 11.716 7.686 -8.712 1.00 0.00 C ATOM 1905 O ASN A 129 11.650 8.743 -8.048 1.00 0.00 O ATOM 1906 CB ASN A 129 10.119 6.004 -9.667 1.00 0.00 C ATOM 1907 CG ASN A 129 9.633 7.097 -10.613 1.00 0.00 C ATOM 1908 OD1 ASN A 129 8.756 7.894 -10.304 1.00 0.00 O ATOM 1909 ND2 ASN A 129 10.153 7.134 -11.827 1.00 0.00 N ATOM 0 H ASN A 129 9.859 8.087 -7.281 1.00 0.00 H new ATOM 0 HA ASN A 129 11.254 5.747 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 129 10.856 5.385 -10.178 1.00 0.00 H new ATOM 0 HB3 ASN A 129 9.284 5.354 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.824 7.824 -12.502 1.00 0.00 H new ATOM 0 HD22 ASN A 129 10.884 6.472 -12.089 1.00 0.00 H new