USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0299 F(o=-1.8!,f=-0.03) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0628 F(o=-1.3!,f=-0.063) USER MOD Single : A 26 LYS NZ :NH3+ 135:sc= 1.14 (180deg=0.861) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 1.24 (180deg=0.0719) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00211 USER MOD Single : A 55 SER OG : rot 85:sc= 0.136 USER MOD Single : A 56 ASN :FLIP amide:sc=-0.00238 F(o=-1.1,f=-0.0024) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N VAL A 8 8.215 -5.050 -1.133 1.00 0.00 N ATOM 93 CA VAL A 8 7.009 -4.987 -0.338 1.00 0.00 C ATOM 94 C VAL A 8 7.144 -3.945 0.751 1.00 0.00 C ATOM 95 O VAL A 8 8.142 -3.895 1.471 1.00 0.00 O ATOM 96 CB VAL A 8 6.641 -6.347 0.289 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.465 -6.208 1.250 1.00 0.00 C ATOM 98 CG2 VAL A 8 6.307 -7.342 -0.800 1.00 0.00 C ATOM 0 HA VAL A 8 6.203 -4.708 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 8 7.500 -6.706 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.227 -7.182 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.728 -5.516 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.598 -5.827 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.048 -8.300 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.462 -6.974 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.170 -7.469 -1.454 1.00 0.00 H new ATOM 108 N VAL A 9 6.129 -3.122 0.847 1.00 0.00 N ATOM 109 CA VAL A 9 6.065 -2.073 1.835 1.00 0.00 C ATOM 110 C VAL A 9 5.039 -2.444 2.890 1.00 0.00 C ATOM 111 O VAL A 9 4.366 -3.465 2.768 1.00 0.00 O ATOM 112 CB VAL A 9 5.686 -0.734 1.177 1.00 0.00 C ATOM 113 CG1 VAL A 9 6.861 -0.195 0.382 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.472 -0.923 0.278 1.00 0.00 C ATOM 0 H VAL A 9 5.315 -3.162 0.234 1.00 0.00 H new ATOM 0 HA VAL A 9 7.044 -1.959 2.300 1.00 0.00 H new ATOM 0 HB VAL A 9 5.434 -0.012 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.584 0.752 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.710 -0.039 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.134 -0.910 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.210 0.029 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.704 -1.652 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.632 -1.282 0.872 1.00 0.00 H new ATOM 124 N VAL A 10 4.904 -1.628 3.908 1.00 0.00 N ATOM 125 CA VAL A 10 3.963 -1.919 4.974 1.00 0.00 C ATOM 126 C VAL A 10 3.251 -0.639 5.402 1.00 0.00 C ATOM 127 O VAL A 10 3.836 0.442 5.383 1.00 0.00 O ATOM 128 CB VAL A 10 4.674 -2.569 6.186 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.725 -1.636 6.772 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.671 -3.000 7.256 1.00 0.00 C ATOM 0 H VAL A 10 5.428 -0.761 4.025 1.00 0.00 H new ATOM 0 HA VAL A 10 3.228 -2.630 4.597 1.00 0.00 H new ATOM 0 HB VAL A 10 5.181 -3.464 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.208 -2.119 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.472 -1.407 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.249 -0.713 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.203 -3.452 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.117 -2.130 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.977 -3.726 6.833 1.00 0.00 H new ATOM 140 N ALA A 11 1.990 -0.760 5.751 1.00 0.00 N ATOM 141 CA ALA A 11 1.203 0.377 6.169 1.00 0.00 C ATOM 142 C ALA A 11 1.424 0.680 7.640 1.00 0.00 C ATOM 143 O ALA A 11 1.364 -0.217 8.483 1.00 0.00 O ATOM 144 CB ALA A 11 -0.259 0.101 5.907 1.00 0.00 C ATOM 0 H ALA A 11 1.483 -1.645 5.753 1.00 0.00 H new ATOM 0 HA ALA A 11 1.517 1.249 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.853 0.959 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.411 -0.074 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.569 -0.781 6.468 1.00 0.00 H new ATOM 150 N LYS A 12 1.668 1.943 7.946 1.00 0.00 N ATOM 151 CA LYS A 12 1.868 2.356 9.321 1.00 0.00 C ATOM 152 C LYS A 12 0.519 2.597 9.988 1.00 0.00 C ATOM 153 O LYS A 12 0.325 2.259 11.156 1.00 0.00 O ATOM 154 CB LYS A 12 2.740 3.610 9.391 1.00 0.00 C ATOM 155 CG LYS A 12 3.105 4.017 10.810 1.00 0.00 C ATOM 156 CD LYS A 12 4.082 5.180 10.835 1.00 0.00 C ATOM 157 CE LYS A 12 3.492 6.427 10.203 1.00 0.00 C ATOM 158 NZ LYS A 12 4.347 7.618 10.429 1.00 0.00 N ATOM 0 H LYS A 12 1.732 2.697 7.262 1.00 0.00 H new ATOM 0 HA LYS A 12 2.388 1.560 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.655 3.439 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.216 4.435 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.200 4.292 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.542 3.165 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.365 5.394 11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.993 4.901 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.367 6.267 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.500 6.609 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.910 8.449 9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.445 7.786 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.286 7.455 10.013 1.00 0.00 H new ATOM 172 N PHE A 13 -0.414 3.175 9.238 1.00 0.00 N ATOM 173 CA PHE A 13 -1.765 3.392 9.742 1.00 0.00 C ATOM 174 C PHE A 13 -2.804 2.992 8.704 1.00 0.00 C ATOM 175 O PHE A 13 -2.489 2.829 7.529 1.00 0.00 O ATOM 176 CB PHE A 13 -1.983 4.855 10.135 1.00 0.00 C ATOM 177 CG PHE A 13 -1.133 5.330 11.277 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.329 4.837 12.556 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.144 6.277 11.071 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.552 5.279 13.609 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.633 6.725 12.120 1.00 0.00 C ATOM 182 CZ PHE A 13 0.429 6.226 13.391 1.00 0.00 C ATOM 0 H PHE A 13 -0.260 3.500 8.283 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.882 2.767 10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.786 5.484 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.032 4.994 10.398 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.098 4.099 12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.021 6.669 10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.712 4.884 14.602 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.400 7.465 11.947 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.036 6.576 14.213 1.00 0.00 H new ATOM 192 N ASP A 14 -4.035 2.824 9.163 1.00 0.00 N ATOM 193 CA ASP A 14 -5.155 2.479 8.295 1.00 0.00 C ATOM 194 C ASP A 14 -5.462 3.607 7.318 1.00 0.00 C ATOM 195 O ASP A 14 -5.496 4.780 7.696 1.00 0.00 O ATOM 196 CB ASP A 14 -6.414 2.217 9.120 1.00 0.00 C ATOM 197 CG ASP A 14 -6.183 1.294 10.295 1.00 0.00 C ATOM 198 OD1 ASP A 14 -6.163 0.065 10.092 1.00 0.00 O ATOM 199 OD2 ASP A 14 -6.027 1.794 11.428 1.00 0.00 O ATOM 0 H ASP A 14 -4.287 2.922 10.146 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.868 1.582 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.804 3.167 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.179 1.786 8.474 1.00 0.00 H new ATOM 204 N TYR A 15 -5.690 3.248 6.066 1.00 0.00 N ATOM 205 CA TYR A 15 -6.171 4.191 5.068 1.00 0.00 C ATOM 206 C TYR A 15 -7.264 3.548 4.226 1.00 0.00 C ATOM 207 O TYR A 15 -7.010 2.623 3.450 1.00 0.00 O ATOM 208 CB TYR A 15 -5.029 4.700 4.176 1.00 0.00 C ATOM 209 CG TYR A 15 -5.490 5.273 2.848 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.294 6.407 2.789 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.124 4.669 1.651 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.721 6.916 1.575 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.543 5.176 0.439 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.342 6.295 0.404 1.00 0.00 C ATOM 215 OH TYR A 15 -6.759 6.797 -0.809 1.00 0.00 O ATOM 0 H TYR A 15 -5.548 2.301 5.713 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.586 5.053 5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.473 5.466 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.338 3.879 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.589 6.898 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.501 3.787 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.348 7.795 1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.244 4.695 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.402 6.241 -1.533 1.00 0.00 H new ATOM 225 N VAL A 16 -8.480 4.038 4.392 1.00 0.00 N ATOM 226 CA VAL A 16 -9.609 3.560 3.616 1.00 0.00 C ATOM 227 C VAL A 16 -9.699 4.331 2.306 1.00 0.00 C ATOM 228 O VAL A 16 -9.619 5.561 2.292 1.00 0.00 O ATOM 229 CB VAL A 16 -10.937 3.704 4.391 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.098 3.129 3.588 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.842 3.018 5.748 1.00 0.00 C ATOM 0 H VAL A 16 -8.711 4.772 5.062 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.448 2.501 3.415 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.122 4.766 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.023 3.242 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.185 3.662 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.918 2.072 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.787 3.130 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.629 1.958 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.042 3.474 6.331 1.00 0.00 H new ATOM 241 N ALA A 17 -9.858 3.608 1.215 1.00 0.00 N ATOM 242 CA ALA A 17 -9.936 4.215 -0.094 1.00 0.00 C ATOM 243 C ALA A 17 -11.391 4.451 -0.439 1.00 0.00 C ATOM 244 O ALA A 17 -12.277 3.837 0.159 1.00 0.00 O ATOM 245 CB ALA A 17 -9.271 3.324 -1.133 1.00 0.00 C ATOM 0 H ALA A 17 -9.936 2.591 1.213 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.408 5.169 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.338 3.796 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.223 3.180 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.775 2.358 -1.160 1.00 0.00 H new ATOM 251 N GLN A 18 -11.648 5.344 -1.377 1.00 0.00 N ATOM 252 CA GLN A 18 -13.016 5.634 -1.752 1.00 0.00 C ATOM 253 C GLN A 18 -13.664 4.412 -2.399 1.00 0.00 C ATOM 254 O GLN A 18 -14.786 4.042 -2.055 1.00 0.00 O ATOM 255 CB GLN A 18 -13.090 6.832 -2.689 1.00 0.00 C ATOM 256 CG GLN A 18 -14.498 7.370 -2.856 1.00 0.00 C ATOM 257 CD GLN A 18 -14.584 8.442 -3.917 1.00 0.00 C ATOM 258 OE1 GLN A 18 -13.710 8.350 -4.900 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -15.418 9.344 -3.849 1.00 0.00 N flip ATOM 0 H GLN A 18 -10.939 5.873 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.565 5.883 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.447 7.625 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.698 6.547 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.168 6.551 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.844 7.775 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.074 9.374 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.453 10.062 -4.573 1.00 0.00 H new ATOM 268 N GLN A 19 -12.938 3.782 -3.319 1.00 0.00 N ATOM 269 CA GLN A 19 -13.430 2.600 -4.019 1.00 0.00 C ATOM 270 C GLN A 19 -12.276 1.690 -4.415 1.00 0.00 C ATOM 271 O GLN A 19 -11.115 1.996 -4.140 1.00 0.00 O ATOM 272 CB GLN A 19 -14.220 2.990 -5.272 1.00 0.00 C ATOM 273 CG GLN A 19 -15.602 3.549 -4.981 1.00 0.00 C ATOM 274 CD GLN A 19 -16.435 3.715 -6.232 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.427 4.771 -6.863 1.00 0.00 O ATOM 276 NE2 GLN A 19 -17.153 2.668 -6.603 1.00 0.00 N ATOM 0 H GLN A 19 -12.001 4.073 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.092 2.067 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.650 3.731 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.321 2.114 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.120 2.886 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.503 4.514 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.130 1.812 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.730 2.717 -7.443 1.00 0.00 H new ATOM 285 N GLU A 20 -12.610 0.589 -5.087 1.00 0.00 N ATOM 286 CA GLU A 20 -11.618 -0.387 -5.547 1.00 0.00 C ATOM 287 C GLU A 20 -10.705 0.211 -6.620 1.00 0.00 C ATOM 288 O GLU A 20 -9.715 -0.399 -7.021 1.00 0.00 O ATOM 289 CB GLU A 20 -12.325 -1.623 -6.108 1.00 0.00 C ATOM 290 CG GLU A 20 -13.205 -2.338 -5.095 1.00 0.00 C ATOM 291 CD GLU A 20 -14.027 -3.448 -5.713 1.00 0.00 C ATOM 292 OE1 GLU A 20 -13.522 -4.585 -5.822 1.00 0.00 O ATOM 293 OE2 GLU A 20 -15.191 -3.190 -6.088 1.00 0.00 O ATOM 0 H GLU A 20 -13.571 0.347 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.003 -0.669 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.936 -1.325 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.576 -2.321 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.579 -2.752 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.873 -1.615 -4.626 1.00 0.00 H new ATOM 300 N GLN A 21 -11.066 1.399 -7.091 1.00 0.00 N ATOM 301 CA GLN A 21 -10.276 2.123 -8.080 1.00 0.00 C ATOM 302 C GLN A 21 -8.953 2.596 -7.473 1.00 0.00 C ATOM 303 O GLN A 21 -7.980 2.835 -8.187 1.00 0.00 O ATOM 304 CB GLN A 21 -11.072 3.324 -8.591 1.00 0.00 C ATOM 305 CG GLN A 21 -11.259 4.416 -7.550 1.00 0.00 C ATOM 306 CD GLN A 21 -12.275 5.460 -7.963 1.00 0.00 C ATOM 307 OE1 GLN A 21 -13.335 5.025 -8.628 1.00 0.00 O flip ATOM 308 NE2 GLN A 21 -12.126 6.640 -7.651 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.913 1.887 -6.799 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.054 1.452 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.564 3.744 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.051 2.984 -8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.573 3.964 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.301 4.902 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.293 6.931 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.835 7.328 -7.905 1.00 0.00 H new ATOM 317 N GLU A 22 -8.940 2.727 -6.156 1.00 0.00 N ATOM 318 CA GLU A 22 -7.762 3.160 -5.419 1.00 0.00 C ATOM 319 C GLU A 22 -7.263 2.015 -4.555 1.00 0.00 C ATOM 320 O GLU A 22 -7.822 0.917 -4.590 1.00 0.00 O ATOM 321 CB GLU A 22 -8.087 4.380 -4.552 1.00 0.00 C ATOM 322 CG GLU A 22 -8.464 5.615 -5.351 1.00 0.00 C ATOM 323 CD GLU A 22 -7.386 6.021 -6.337 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.224 6.191 -5.914 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.700 6.173 -7.538 1.00 0.00 O ATOM 0 H GLU A 22 -9.749 2.535 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.983 3.446 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.908 4.129 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.224 4.611 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.392 5.425 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.656 6.442 -4.667 1.00 0.00 H new ATOM 332 N LEU A 23 -6.225 2.254 -3.775 1.00 0.00 N ATOM 333 CA LEU A 23 -5.678 1.201 -2.951 1.00 0.00 C ATOM 334 C LEU A 23 -6.122 1.413 -1.512 1.00 0.00 C ATOM 335 O LEU A 23 -5.943 2.496 -0.956 1.00 0.00 O ATOM 336 CB LEU A 23 -4.149 1.204 -3.043 1.00 0.00 C ATOM 337 CG LEU A 23 -3.470 -0.155 -2.846 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.446 -0.550 -1.383 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.181 -1.217 -3.658 1.00 0.00 C ATOM 0 H LEU A 23 -5.752 3.154 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.042 0.235 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.863 1.595 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.760 1.896 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.440 -0.069 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.958 -1.519 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.896 0.199 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.467 -0.614 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.689 -2.178 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.220 -1.287 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.147 -0.951 -4.714 1.00 0.00 H new ATOM 351 N ASP A 24 -6.702 0.388 -0.916 1.00 0.00 N ATOM 352 CA ASP A 24 -7.101 0.456 0.479 1.00 0.00 C ATOM 353 C ASP A 24 -6.056 -0.253 1.317 1.00 0.00 C ATOM 354 O ASP A 24 -5.587 -1.332 0.956 1.00 0.00 O ATOM 355 CB ASP A 24 -8.488 -0.170 0.696 1.00 0.00 C ATOM 356 CG ASP A 24 -8.459 -1.684 0.778 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.367 -2.346 -0.277 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.530 -2.222 1.908 1.00 0.00 O ATOM 0 H ASP A 24 -6.907 -0.500 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.171 1.501 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.918 0.228 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.146 0.130 -0.120 1.00 0.00 H new ATOM 363 N ILE A 25 -5.652 0.359 2.412 1.00 0.00 N ATOM 364 CA ILE A 25 -4.625 -0.229 3.246 1.00 0.00 C ATOM 365 C ILE A 25 -5.052 -0.231 4.705 1.00 0.00 C ATOM 366 O ILE A 25 -5.817 0.627 5.147 1.00 0.00 O ATOM 367 CB ILE A 25 -3.262 0.491 3.095 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.330 1.930 3.586 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.801 0.473 1.648 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.208 2.273 4.522 1.00 0.00 C ATOM 0 H ILE A 25 -6.015 1.253 2.742 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.495 -1.257 2.908 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.544 -0.051 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.303 2.604 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.282 2.093 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.842 0.984 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.692 -0.559 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.537 0.981 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.305 3.311 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.249 1.620 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.254 2.138 4.012 1.00 0.00 H new ATOM 382 N LYS A 26 -4.567 -1.210 5.439 1.00 0.00 N ATOM 383 CA LYS A 26 -4.912 -1.367 6.840 1.00 0.00 C ATOM 384 C LYS A 26 -3.665 -1.137 7.677 1.00 0.00 C ATOM 385 O LYS A 26 -2.558 -1.324 7.181 1.00 0.00 O ATOM 386 CB LYS A 26 -5.454 -2.782 7.071 1.00 0.00 C ATOM 387 CG LYS A 26 -6.211 -2.962 8.372 1.00 0.00 C ATOM 388 CD LYS A 26 -7.522 -2.195 8.356 1.00 0.00 C ATOM 389 CE LYS A 26 -8.308 -2.408 9.638 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.517 -2.037 10.840 1.00 0.00 N ATOM 0 H LYS A 26 -3.924 -1.918 5.085 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.678 -0.646 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.113 -3.045 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.621 -3.484 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.408 -4.021 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.596 -2.619 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.321 -1.132 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.121 -2.515 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.222 -1.814 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.609 -3.453 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.109 -1.476 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.197 -2.900 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.691 -1.475 10.552 1.00 0.00 H new ATOM 404 N LYS A 27 -3.821 -0.720 8.924 1.00 0.00 N ATOM 405 CA LYS A 27 -2.671 -0.554 9.789 1.00 0.00 C ATOM 406 C LYS A 27 -1.934 -1.884 9.922 1.00 0.00 C ATOM 407 O LYS A 27 -2.533 -2.896 10.298 1.00 0.00 O ATOM 408 CB LYS A 27 -3.087 -0.034 11.160 1.00 0.00 C ATOM 409 CG LYS A 27 -1.926 0.092 12.127 1.00 0.00 C ATOM 410 CD LYS A 27 -2.353 0.710 13.444 1.00 0.00 C ATOM 411 CE LYS A 27 -1.163 0.900 14.366 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.548 1.527 15.657 1.00 0.00 N ATOM 0 H LYS A 27 -4.719 -0.494 9.352 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.003 0.183 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.562 0.940 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.834 -0.704 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.497 -0.893 12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.143 0.702 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.832 1.671 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.093 0.072 13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.696 -0.066 14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.417 1.521 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.704 1.637 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.970 2.461 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.240 0.922 16.144 1.00 0.00 H new ATOM 426 N ASN A 28 -0.650 -1.861 9.574 1.00 0.00 N ATOM 427 CA ASN A 28 0.214 -3.051 9.591 1.00 0.00 C ATOM 428 C ASN A 28 -0.131 -4.005 8.438 1.00 0.00 C ATOM 429 O ASN A 28 0.102 -5.213 8.515 1.00 0.00 O ATOM 430 CB ASN A 28 0.131 -3.784 10.940 1.00 0.00 C ATOM 431 CG ASN A 28 1.262 -4.785 11.130 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.387 -4.558 10.689 1.00 0.00 O ATOM 433 ND2 ASN A 28 0.970 -5.903 11.779 1.00 0.00 N ATOM 0 H ASN A 28 -0.171 -1.013 9.269 1.00 0.00 H new ATOM 0 HA ASN A 28 1.240 -2.709 9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.157 -3.054 11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.825 -4.303 11.010 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.690 -6.610 11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.025 -6.057 12.131 1.00 0.00 H new ATOM 440 N GLU A 29 -0.676 -3.459 7.358 1.00 0.00 N ATOM 441 CA GLU A 29 -0.920 -4.243 6.154 1.00 0.00 C ATOM 442 C GLU A 29 0.261 -4.093 5.209 1.00 0.00 C ATOM 443 O GLU A 29 0.809 -3.005 5.069 1.00 0.00 O ATOM 444 CB GLU A 29 -2.210 -3.797 5.462 1.00 0.00 C ATOM 445 CG GLU A 29 -2.513 -4.557 4.181 1.00 0.00 C ATOM 446 CD GLU A 29 -2.813 -6.022 4.418 1.00 0.00 C ATOM 447 OE1 GLU A 29 -1.895 -6.767 4.816 1.00 0.00 O ATOM 448 OE2 GLU A 29 -3.970 -6.434 4.208 1.00 0.00 O ATOM 0 H GLU A 29 -0.956 -2.481 7.291 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.034 -5.290 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.044 -3.921 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.140 -2.733 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.365 -4.094 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.663 -4.471 3.504 1.00 0.00 H new ATOM 455 N ARG A 30 0.658 -5.180 4.573 1.00 0.00 N ATOM 456 CA ARG A 30 1.775 -5.139 3.644 1.00 0.00 C ATOM 457 C ARG A 30 1.252 -4.856 2.241 1.00 0.00 C ATOM 458 O ARG A 30 0.240 -5.418 1.817 1.00 0.00 O ATOM 459 CB ARG A 30 2.552 -6.463 3.666 1.00 0.00 C ATOM 460 CG ARG A 30 1.868 -7.567 2.894 1.00 0.00 C ATOM 461 CD ARG A 30 2.414 -8.938 3.258 1.00 0.00 C ATOM 462 NE ARG A 30 3.856 -9.039 3.032 1.00 0.00 N ATOM 463 CZ ARG A 30 4.475 -10.148 2.622 1.00 0.00 C ATOM 464 NH1 ARG A 30 3.775 -11.228 2.292 1.00 0.00 N ATOM 465 NH2 ARG A 30 5.796 -10.165 2.512 1.00 0.00 N ATOM 0 H ARG A 30 0.227 -6.098 4.681 1.00 0.00 H new ATOM 0 HA ARG A 30 2.458 -4.344 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.547 -6.300 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.687 -6.781 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.797 -7.539 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.998 -7.397 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.197 -9.147 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.902 -9.699 2.669 1.00 0.00 H new ATOM 0 HE ARG A 30 4.425 -8.209 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.757 -11.214 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.256 -12.072 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.338 -9.331 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.271 -11.012 2.199 1.00 0.00 H new ATOM 479 N LEU A 31 1.923 -3.968 1.539 1.00 0.00 N ATOM 480 CA LEU A 31 1.543 -3.635 0.180 1.00 0.00 C ATOM 481 C LEU A 31 2.733 -3.858 -0.735 1.00 0.00 C ATOM 482 O LEU A 31 3.863 -3.977 -0.275 1.00 0.00 O ATOM 483 CB LEU A 31 1.063 -2.175 0.054 1.00 0.00 C ATOM 484 CG LEU A 31 -0.136 -1.768 0.919 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.188 -2.868 0.956 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.308 -1.376 2.327 1.00 0.00 C ATOM 0 H LEU A 31 2.737 -3.462 1.887 1.00 0.00 H new ATOM 0 HA LEU A 31 0.712 -4.280 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.898 -1.520 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.809 -1.989 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.594 -0.891 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.025 -2.550 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.542 -3.067 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.751 -3.775 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.563 -1.092 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.807 -2.222 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.998 -0.534 2.270 1.00 0.00 H new ATOM 498 N TRP A 32 2.483 -3.923 -2.020 1.00 0.00 N ATOM 499 CA TRP A 32 3.555 -4.032 -2.999 1.00 0.00 C ATOM 500 C TRP A 32 3.781 -2.682 -3.645 1.00 0.00 C ATOM 501 O TRP A 32 2.861 -2.101 -4.211 1.00 0.00 O ATOM 502 CB TRP A 32 3.229 -5.075 -4.073 1.00 0.00 C ATOM 503 CG TRP A 32 3.374 -6.494 -3.615 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.470 -7.291 -3.779 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.395 -7.289 -2.933 1.00 0.00 C ATOM 506 NE1 TRP A 32 4.234 -8.532 -3.244 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.969 -8.557 -2.714 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.091 -7.057 -2.482 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.285 -9.582 -2.064 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.414 -8.076 -1.841 1.00 0.00 C ATOM 511 CH2 TRP A 32 1.012 -9.324 -1.636 1.00 0.00 C ATOM 0 H TRP A 32 1.545 -3.903 -2.421 1.00 0.00 H new ATOM 0 HA TRP A 32 4.460 -4.356 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.207 -4.919 -4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.882 -4.913 -4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.389 -6.989 -4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.893 -9.311 -3.241 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.621 -6.096 -2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.744 -10.546 -1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.594 -7.907 -1.492 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.457 -10.100 -1.129 1.00 0.00 H new ATOM 522 N LEU A 33 4.996 -2.179 -3.557 1.00 0.00 N ATOM 523 CA LEU A 33 5.296 -0.860 -4.079 1.00 0.00 C ATOM 524 C LEU A 33 5.817 -0.949 -5.508 1.00 0.00 C ATOM 525 O LEU A 33 6.907 -1.460 -5.754 1.00 0.00 O ATOM 526 CB LEU A 33 6.297 -0.146 -3.169 1.00 0.00 C ATOM 527 CG LEU A 33 6.660 1.275 -3.593 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.405 2.107 -3.775 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.567 1.919 -2.562 1.00 0.00 C ATOM 0 H LEU A 33 5.788 -2.660 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 33 4.376 -0.276 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.887 -0.114 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.210 -0.739 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 33 7.191 1.227 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.679 3.118 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.778 1.656 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.855 2.146 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.817 2.932 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.056 1.956 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.481 1.333 -2.465 1.00 0.00 H new ATOM 541 N LEU A 34 5.015 -0.463 -6.449 1.00 0.00 N ATOM 542 CA LEU A 34 5.393 -0.490 -7.853 1.00 0.00 C ATOM 543 C LEU A 34 5.955 0.861 -8.266 1.00 0.00 C ATOM 544 O LEU A 34 6.984 0.938 -8.935 1.00 0.00 O ATOM 545 CB LEU A 34 4.192 -0.839 -8.747 1.00 0.00 C ATOM 546 CG LEU A 34 3.457 -2.149 -8.425 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.440 -3.269 -8.112 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.465 -1.948 -7.287 1.00 0.00 C ATOM 0 H LEU A 34 4.102 -0.047 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 34 6.154 -1.260 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.474 -0.021 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.537 -0.886 -9.780 1.00 0.00 H new ATOM 0 HG LEU A 34 2.894 -2.446 -9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.891 -4.183 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.087 -3.436 -8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.047 -2.990 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.957 -2.889 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.997 -1.616 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.731 -1.195 -7.573 1.00 0.00 H new ATOM 560 N ASP A 35 5.279 1.925 -7.854 1.00 0.00 N ATOM 561 CA ASP A 35 5.675 3.272 -8.232 1.00 0.00 C ATOM 562 C ASP A 35 5.612 4.220 -7.046 1.00 0.00 C ATOM 563 O ASP A 35 4.568 4.375 -6.413 1.00 0.00 O ATOM 564 CB ASP A 35 4.785 3.796 -9.361 1.00 0.00 C ATOM 565 CG ASP A 35 5.013 5.271 -9.640 1.00 0.00 C ATOM 566 OD1 ASP A 35 5.988 5.601 -10.339 1.00 0.00 O ATOM 567 OD2 ASP A 35 4.209 6.104 -9.170 1.00 0.00 O ATOM 0 H ASP A 35 4.453 1.880 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 35 6.707 3.226 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.978 3.223 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.739 3.636 -9.100 1.00 0.00 H new ATOM 628 N TRP A 40 2.054 10.183 -2.515 1.00 0.00 N ATOM 629 CA TRP A 40 0.997 9.221 -2.828 1.00 0.00 C ATOM 630 C TRP A 40 1.519 8.149 -3.774 1.00 0.00 C ATOM 631 O TRP A 40 1.614 8.347 -4.985 1.00 0.00 O ATOM 632 CB TRP A 40 -0.243 9.917 -3.405 1.00 0.00 C ATOM 633 CG TRP A 40 -1.014 10.687 -2.375 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.628 11.838 -1.749 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.303 10.355 -1.844 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.592 12.236 -0.858 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.633 11.346 -0.900 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.210 9.318 -2.076 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.829 11.328 -0.188 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.396 9.300 -1.369 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.698 10.301 -0.436 1.00 0.00 C ATOM 0 HA TRP A 40 0.692 8.739 -1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.065 10.594 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.896 9.170 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.301 12.359 -1.929 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.542 13.061 -0.261 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.987 8.544 -2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.062 12.097 0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.103 8.501 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.636 10.261 0.098 1.00 0.00 H new ATOM 652 N TRP A 41 1.868 7.009 -3.201 1.00 0.00 N ATOM 653 CA TRP A 41 2.543 5.958 -3.943 1.00 0.00 C ATOM 654 C TRP A 41 1.543 4.976 -4.535 1.00 0.00 C ATOM 655 O TRP A 41 0.468 4.753 -3.980 1.00 0.00 O ATOM 656 CB TRP A 41 3.535 5.224 -3.036 1.00 0.00 C ATOM 657 CG TRP A 41 4.543 6.136 -2.404 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.000 7.321 -2.904 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.229 5.933 -1.163 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.919 7.873 -2.047 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.081 7.038 -0.973 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.207 4.925 -0.195 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.898 7.163 0.147 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.020 5.051 0.916 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.855 6.162 1.076 1.00 0.00 C ATOM 0 H TRP A 41 1.694 6.788 -2.221 1.00 0.00 H new ATOM 0 HA TRP A 41 3.089 6.420 -4.765 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.984 4.703 -2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.056 4.464 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.684 7.761 -3.839 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.402 8.760 -2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.567 4.063 -0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.542 8.020 0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.010 4.280 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.480 6.230 1.954 1.00 0.00 H new ATOM 676 N ARG A 42 1.908 4.406 -5.669 1.00 0.00 N ATOM 677 CA ARG A 42 1.079 3.425 -6.348 1.00 0.00 C ATOM 678 C ARG A 42 1.468 2.023 -5.903 1.00 0.00 C ATOM 679 O ARG A 42 2.547 1.523 -6.243 1.00 0.00 O ATOM 680 CB ARG A 42 1.234 3.579 -7.859 1.00 0.00 C ATOM 681 CG ARG A 42 0.587 2.476 -8.682 1.00 0.00 C ATOM 682 CD ARG A 42 0.674 2.791 -10.167 1.00 0.00 C ATOM 683 NE ARG A 42 0.338 1.642 -11.009 1.00 0.00 N ATOM 684 CZ ARG A 42 -0.281 1.739 -12.184 1.00 0.00 C ATOM 685 NH1 ARG A 42 -0.753 2.911 -12.595 1.00 0.00 N ATOM 686 NH2 ARG A 42 -0.446 0.656 -12.939 1.00 0.00 N ATOM 0 H ARG A 42 2.787 4.609 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 42 0.033 3.589 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.805 4.535 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.297 3.617 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.080 1.526 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.457 2.362 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.000 3.616 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.683 3.127 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 42 0.593 0.712 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.642 3.739 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.227 2.983 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.099 -0.248 -12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.920 0.729 -13.839 1.00 0.00 H new ATOM 700 N VAL A 43 0.596 1.403 -5.128 1.00 0.00 N ATOM 701 CA VAL A 43 0.882 0.109 -4.536 1.00 0.00 C ATOM 702 C VAL A 43 -0.190 -0.915 -4.868 1.00 0.00 C ATOM 703 O VAL A 43 -1.300 -0.569 -5.276 1.00 0.00 O ATOM 704 CB VAL A 43 1.003 0.209 -3.005 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.304 0.888 -2.612 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.176 0.970 -2.431 1.00 0.00 C ATOM 0 H VAL A 43 -0.323 1.779 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 43 1.832 -0.217 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 43 1.003 -0.801 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.369 0.948 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.146 0.311 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.332 1.893 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.076 1.032 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.200 1.975 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.101 0.450 -2.681 1.00 0.00 H new ATOM 716 N ARG A 44 0.166 -2.176 -4.690 1.00 0.00 N ATOM 717 CA ARG A 44 -0.753 -3.282 -4.874 1.00 0.00 C ATOM 718 C ARG A 44 -1.039 -3.931 -3.526 1.00 0.00 C ATOM 719 O ARG A 44 -0.120 -4.301 -2.802 1.00 0.00 O ATOM 720 CB ARG A 44 -0.158 -4.302 -5.847 1.00 0.00 C ATOM 721 CG ARG A 44 -1.080 -5.473 -6.144 1.00 0.00 C ATOM 722 CD ARG A 44 -0.407 -6.510 -7.037 1.00 0.00 C ATOM 723 NE ARG A 44 0.866 -6.966 -6.481 1.00 0.00 N ATOM 724 CZ ARG A 44 1.932 -7.274 -7.220 1.00 0.00 C ATOM 725 NH1 ARG A 44 1.857 -7.265 -8.546 1.00 0.00 N ATOM 726 NH2 ARG A 44 3.067 -7.617 -6.629 1.00 0.00 N ATOM 0 H ARG A 44 1.105 -2.461 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.688 -2.913 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.088 -3.798 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.776 -4.682 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.385 -5.942 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.986 -5.109 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.073 -7.363 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.239 -6.083 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 44 0.943 -7.054 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.980 -7.021 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.677 -7.502 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.124 -7.645 -5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.884 -7.853 -7.192 1.00 0.00 H new ATOM 740 N ASN A 45 -2.310 -4.030 -3.185 1.00 0.00 N ATOM 741 CA ASN A 45 -2.728 -4.629 -1.919 1.00 0.00 C ATOM 742 C ASN A 45 -2.838 -6.147 -2.063 1.00 0.00 C ATOM 743 O ASN A 45 -2.725 -6.681 -3.168 1.00 0.00 O ATOM 744 CB ASN A 45 -4.076 -4.024 -1.493 1.00 0.00 C ATOM 745 CG ASN A 45 -4.639 -4.579 -0.194 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.403 -5.543 -0.198 1.00 0.00 O ATOM 747 ND2 ASN A 45 -4.274 -3.976 0.923 1.00 0.00 N ATOM 0 H ASN A 45 -3.080 -3.702 -3.768 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.984 -4.416 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.959 -2.945 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.802 -4.192 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.628 -4.307 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.638 -3.179 0.888 1.00 0.00 H new ATOM 754 N SER A 46 -3.069 -6.822 -0.945 1.00 0.00 N ATOM 755 CA SER A 46 -3.213 -8.273 -0.908 1.00 0.00 C ATOM 756 C SER A 46 -4.398 -8.725 -1.766 1.00 0.00 C ATOM 757 O SER A 46 -4.412 -9.837 -2.293 1.00 0.00 O ATOM 758 CB SER A 46 -3.411 -8.733 0.539 1.00 0.00 C ATOM 759 OG SER A 46 -2.471 -8.120 1.406 1.00 0.00 O ATOM 0 H SER A 46 -3.162 -6.376 -0.032 1.00 0.00 H new ATOM 0 HA SER A 46 -2.306 -8.723 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.422 -8.490 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.309 -9.817 0.596 1.00 0.00 H new ATOM 0 HG SER A 46 -2.621 -8.430 2.323 1.00 0.00 H new ATOM 765 N MET A 47 -5.384 -7.845 -1.911 1.00 0.00 N ATOM 766 CA MET A 47 -6.570 -8.125 -2.718 1.00 0.00 C ATOM 767 C MET A 47 -6.280 -7.889 -4.206 1.00 0.00 C ATOM 768 O MET A 47 -7.182 -7.927 -5.043 1.00 0.00 O ATOM 769 CB MET A 47 -7.734 -7.245 -2.238 1.00 0.00 C ATOM 770 CG MET A 47 -9.066 -7.534 -2.909 1.00 0.00 C ATOM 771 SD MET A 47 -9.607 -9.241 -2.700 1.00 0.00 S ATOM 772 CE MET A 47 -11.163 -9.201 -3.583 1.00 0.00 C ATOM 0 H MET A 47 -5.385 -6.923 -1.476 1.00 0.00 H new ATOM 0 HA MET A 47 -6.847 -9.172 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.849 -7.374 -1.162 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.476 -6.200 -2.408 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.824 -6.866 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A 47 -8.986 -7.312 -3.973 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.627 -10.187 -3.547 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.826 -8.471 -3.119 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.985 -8.921 -4.621 1.00 0.00 H new ATOM 782 N ASN A 48 -5.005 -7.649 -4.522 1.00 0.00 N ATOM 783 CA ASN A 48 -4.538 -7.499 -5.909 1.00 0.00 C ATOM 784 C ASN A 48 -5.057 -6.208 -6.535 1.00 0.00 C ATOM 785 O ASN A 48 -5.016 -6.033 -7.750 1.00 0.00 O ATOM 786 CB ASN A 48 -4.940 -8.708 -6.770 1.00 0.00 C ATOM 787 CG ASN A 48 -4.460 -10.023 -6.182 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.338 -10.462 -6.438 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.315 -10.668 -5.402 1.00 0.00 N ATOM 0 H ASN A 48 -4.265 -7.553 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.450 -7.449 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.025 -8.733 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.528 -8.590 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.053 -11.563 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.235 -10.270 -5.215 1.00 0.00 H new ATOM 796 N LYS A 49 -5.526 -5.299 -5.692 1.00 0.00 N ATOM 797 CA LYS A 49 -5.980 -3.992 -6.146 1.00 0.00 C ATOM 798 C LYS A 49 -4.786 -3.069 -6.350 1.00 0.00 C ATOM 799 O LYS A 49 -3.676 -3.386 -5.923 1.00 0.00 O ATOM 800 CB LYS A 49 -6.937 -3.368 -5.127 1.00 0.00 C ATOM 801 CG LYS A 49 -8.192 -4.185 -4.865 1.00 0.00 C ATOM 802 CD LYS A 49 -9.016 -4.363 -6.128 1.00 0.00 C ATOM 803 CE LYS A 49 -10.359 -5.006 -5.824 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.157 -5.234 -7.056 1.00 0.00 N ATOM 0 H LYS A 49 -5.602 -5.444 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.507 -4.122 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.406 -3.228 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.229 -2.378 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.915 -5.162 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.795 -3.692 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.173 -3.394 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.467 -4.981 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.199 -5.956 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.920 -4.368 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.150 -4.980 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.782 -4.645 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.099 -6.237 -7.327 1.00 0.00 H new ATOM 818 N THR A 50 -5.010 -1.938 -7.005 1.00 0.00 N ATOM 819 CA THR A 50 -3.968 -0.940 -7.174 1.00 0.00 C ATOM 820 C THR A 50 -4.557 0.464 -7.079 1.00 0.00 C ATOM 821 O THR A 50 -5.734 0.672 -7.376 1.00 0.00 O ATOM 822 CB THR A 50 -3.245 -1.096 -8.523 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.006 -2.483 -8.795 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.918 -0.353 -8.507 1.00 0.00 C ATOM 0 H THR A 50 -5.905 -1.691 -7.427 1.00 0.00 H new ATOM 0 HA THR A 50 -3.243 -1.091 -6.374 1.00 0.00 H new ATOM 0 HB THR A 50 -3.880 -0.674 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.547 -2.573 -9.656 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.421 -0.475 -9.469 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.096 0.706 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.284 -0.757 -7.718 1.00 0.00 H new ATOM 832 N GLY A 51 -3.729 1.412 -6.674 1.00 0.00 N ATOM 833 CA GLY A 51 -4.165 2.784 -6.517 1.00 0.00 C ATOM 834 C GLY A 51 -3.119 3.609 -5.802 1.00 0.00 C ATOM 835 O GLY A 51 -2.000 3.137 -5.593 1.00 0.00 O ATOM 0 H GLY A 51 -2.747 1.253 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.369 3.218 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.099 2.810 -5.956 1.00 0.00 H new ATOM 839 N PHE A 52 -3.475 4.828 -5.419 1.00 0.00 N ATOM 840 CA PHE A 52 -2.538 5.709 -4.735 1.00 0.00 C ATOM 841 C PHE A 52 -2.852 5.794 -3.249 1.00 0.00 C ATOM 842 O PHE A 52 -4.009 5.951 -2.852 1.00 0.00 O ATOM 843 CB PHE A 52 -2.542 7.113 -5.349 1.00 0.00 C ATOM 844 CG PHE A 52 -1.892 7.188 -6.703 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.530 6.973 -6.844 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.641 7.471 -7.831 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.073 7.043 -8.086 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.044 7.543 -9.077 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.687 7.328 -9.204 1.00 0.00 C ATOM 0 H PHE A 52 -4.401 5.228 -5.569 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.544 5.280 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.572 7.460 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.029 7.796 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.067 6.748 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.704 7.638 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.136 6.875 -8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.640 7.767 -9.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.220 7.382 -10.176 1.00 0.00 H new ATOM 859 N VAL A 53 -1.812 5.680 -2.440 1.00 0.00 N ATOM 860 CA VAL A 53 -1.942 5.737 -0.989 1.00 0.00 C ATOM 861 C VAL A 53 -1.102 6.874 -0.400 1.00 0.00 C ATOM 862 O VAL A 53 -0.034 7.202 -0.921 1.00 0.00 O ATOM 863 CB VAL A 53 -1.522 4.404 -0.338 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.496 3.300 -0.707 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.106 4.032 -0.748 1.00 0.00 C ATOM 0 H VAL A 53 -0.855 5.546 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.994 5.923 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.542 4.528 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.183 2.367 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.494 3.564 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.511 3.175 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.173 3.088 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.057 3.927 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.583 4.814 -0.428 1.00 0.00 H new ATOM 875 N PRO A 54 -1.582 7.491 0.695 1.00 0.00 N ATOM 876 CA PRO A 54 -0.888 8.601 1.360 1.00 0.00 C ATOM 877 C PRO A 54 0.451 8.172 1.956 1.00 0.00 C ATOM 878 O PRO A 54 0.517 7.243 2.762 1.00 0.00 O ATOM 879 CB PRO A 54 -1.858 9.021 2.466 1.00 0.00 C ATOM 880 CG PRO A 54 -2.705 7.821 2.707 1.00 0.00 C ATOM 881 CD PRO A 54 -2.841 7.150 1.372 1.00 0.00 C ATOM 0 HA PRO A 54 -0.646 9.404 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.324 9.316 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.461 9.875 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.243 7.155 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.680 8.103 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.964 6.072 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.707 7.519 0.822 1.00 0.00 H new ATOM 889 N SER A 55 1.503 8.885 1.586 1.00 0.00 N ATOM 890 CA SER A 55 2.866 8.535 1.973 1.00 0.00 C ATOM 891 C SER A 55 3.096 8.651 3.485 1.00 0.00 C ATOM 892 O SER A 55 4.121 8.210 3.995 1.00 0.00 O ATOM 893 CB SER A 55 3.840 9.439 1.222 1.00 0.00 C ATOM 894 OG SER A 55 3.536 9.462 -0.165 1.00 0.00 O ATOM 0 H SER A 55 1.439 9.723 1.009 1.00 0.00 H new ATOM 0 HA SER A 55 3.034 7.491 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.791 10.450 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.860 9.085 1.370 1.00 0.00 H new ATOM 0 HG SER A 55 2.837 10.127 -0.336 1.00 0.00 H new ATOM 900 N ASN A 56 2.148 9.254 4.196 1.00 0.00 N ATOM 901 CA ASN A 56 2.278 9.426 5.642 1.00 0.00 C ATOM 902 C ASN A 56 1.616 8.278 6.398 1.00 0.00 C ATOM 903 O ASN A 56 1.874 8.071 7.583 1.00 0.00 O ATOM 904 CB ASN A 56 1.670 10.761 6.088 1.00 0.00 C ATOM 905 CG ASN A 56 2.405 11.968 5.527 1.00 0.00 C ATOM 906 OD1 ASN A 56 3.708 11.838 5.309 1.00 0.00 O flip ATOM 907 ND2 ASN A 56 1.801 13.016 5.292 1.00 0.00 N flip ATOM 0 H ASN A 56 1.287 9.630 3.800 1.00 0.00 H new ATOM 0 HA ASN A 56 3.342 9.425 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.627 10.801 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.679 10.812 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.799 13.079 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.303 13.821 4.917 1.00 0.00 H new ATOM 914 N TYR A 57 0.763 7.530 5.711 1.00 0.00 N ATOM 915 CA TYR A 57 0.059 6.419 6.329 1.00 0.00 C ATOM 916 C TYR A 57 0.678 5.098 5.902 1.00 0.00 C ATOM 917 O TYR A 57 0.522 4.078 6.575 1.00 0.00 O ATOM 918 CB TYR A 57 -1.426 6.459 5.968 1.00 0.00 C ATOM 919 CG TYR A 57 -2.188 7.564 6.663 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.190 8.860 6.165 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.896 7.311 7.831 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.882 9.870 6.808 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.587 8.314 8.481 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.576 9.592 7.969 1.00 0.00 C ATOM 925 OH TYR A 57 -4.261 10.594 8.620 1.00 0.00 O ATOM 0 H TYR A 57 0.543 7.674 4.725 1.00 0.00 H new ATOM 0 HA TYR A 57 0.151 6.509 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.526 6.583 4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.879 5.501 6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.642 9.083 5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.906 6.311 8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.880 10.872 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.134 8.097 9.387 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.695 10.228 9.419 1.00 0.00 H new ATOM 935 N VAL A 58 1.396 5.126 4.790 1.00 0.00 N ATOM 936 CA VAL A 58 2.105 3.950 4.317 1.00 0.00 C ATOM 937 C VAL A 58 3.604 4.149 4.484 1.00 0.00 C ATOM 938 O VAL A 58 4.082 5.283 4.534 1.00 0.00 O ATOM 939 CB VAL A 58 1.792 3.628 2.842 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.313 3.384 2.639 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.278 4.729 1.917 1.00 0.00 C ATOM 0 H VAL A 58 1.502 5.951 4.199 1.00 0.00 H new ATOM 0 HA VAL A 58 1.766 3.106 4.918 1.00 0.00 H new ATOM 0 HB VAL A 58 2.330 2.714 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.122 3.159 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.005 2.542 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.246 4.275 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.041 4.469 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.786 5.666 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.357 4.844 2.023 1.00 0.00 H new ATOM 951 N GLU A 59 4.340 3.054 4.569 1.00 0.00 N ATOM 952 CA GLU A 59 5.760 3.115 4.869 1.00 0.00 C ATOM 953 C GLU A 59 6.569 2.185 3.982 1.00 0.00 C ATOM 954 O GLU A 59 6.093 1.125 3.568 1.00 0.00 O ATOM 955 CB GLU A 59 5.982 2.739 6.328 1.00 0.00 C ATOM 956 CG GLU A 59 5.542 3.811 7.300 1.00 0.00 C ATOM 957 CD GLU A 59 6.609 4.861 7.506 1.00 0.00 C ATOM 958 OE1 GLU A 59 7.658 4.530 8.095 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.418 6.021 7.084 1.00 0.00 O ATOM 0 H GLU A 59 3.977 2.110 4.434 1.00 0.00 H new ATOM 0 HA GLU A 59 6.098 4.134 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.440 1.819 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.040 2.530 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.633 4.285 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.295 3.353 8.258 1.00 0.00 H new