USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 23 MET CE :methyl 179:sc= 0 (180deg=-0.000831) USER MOD Single : A 34 ASN : amide:sc= -1.51 K(o=-1.5,f=-7.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.422 F(o=-1.8,f=-0.42) USER MOD Single : A 53 THR OG1 : rot -62:sc= 0.777 USER MOD Single : A 59 MET CE :methyl 158:sc= -0.202 (180deg=-0.845) USER MOD Single : A 60 THR OG1 : rot 107:sc= 0.872 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 63 SER OG : rot -31:sc= 0.217 USER MOD Single : A 66 CYS SG : rot 180:sc= 0.0249 USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.174 USER MOD Single : A 75 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -84:sc= 0.779 USER MOD Single : A 83 SER OG : rot 130:sc= 0.952 USER MOD Single : A 92 ASN : amide:sc= 0.658 K(o=0.66,f=-0.31) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 103 LYS NZ :NH3+ -169:sc=-0.00369 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 1.737 -4.882 -12.274 1.00 23.15 N ATOM 111 CA ALA A 10 2.244 -4.389 -13.561 1.00 62.43 C ATOM 112 C ALA A 10 3.168 -5.412 -14.238 1.00 14.31 C ATOM 113 O ALA A 10 3.621 -6.369 -13.599 1.00 21.31 O ATOM 114 CB ALA A 10 2.969 -3.056 -13.369 1.00 12.12 C ATOM 0 HA ALA A 10 1.388 -4.236 -14.218 1.00 62.43 H new ATOM 0 HB1 ALA A 10 3.340 -2.702 -14.331 1.00 12.12 H new ATOM 0 HB2 ALA A 10 2.278 -2.322 -12.954 1.00 12.12 H new ATOM 0 HB3 ALA A 10 3.807 -3.193 -12.685 1.00 12.12 H new ATOM 120 N PRO A 11 3.421 -5.261 -15.559 1.00 24.14 N ATOM 121 CA PRO A 11 4.405 -6.087 -16.270 1.00 55.24 C ATOM 122 C PRO A 11 5.830 -5.850 -15.752 1.00 42.12 C ATOM 123 O PRO A 11 6.038 -5.046 -14.842 1.00 65.53 O ATOM 124 CB PRO A 11 4.260 -5.652 -17.738 1.00 2.23 C ATOM 125 CG PRO A 11 3.617 -4.309 -17.686 1.00 21.24 C ATOM 126 CD PRO A 11 2.738 -4.314 -16.464 1.00 65.31 C ATOM 0 HA PRO A 11 4.230 -7.153 -16.128 1.00 55.24 H new ATOM 0 HB2 PRO A 11 5.230 -5.605 -18.232 1.00 2.23 H new ATOM 0 HB3 PRO A 11 3.650 -6.359 -18.300 1.00 2.23 H new ATOM 0 HG2 PRO A 11 4.367 -3.520 -17.624 1.00 21.24 H new ATOM 0 HG3 PRO A 11 3.032 -4.122 -18.586 1.00 21.24 H new ATOM 0 HD2 PRO A 11 2.658 -3.321 -16.022 1.00 65.31 H new ATOM 0 HD3 PRO A 11 1.725 -4.641 -16.698 1.00 65.31 H new ATOM 134 N ALA A 12 6.800 -6.539 -16.349 1.00 60.32 N ATOM 135 CA ALA A 12 8.176 -6.569 -15.840 1.00 4.54 C ATOM 136 C ALA A 12 8.755 -5.170 -15.588 1.00 53.41 C ATOM 137 O ALA A 12 9.012 -4.791 -14.441 1.00 3.52 O ATOM 138 CB ALA A 12 9.067 -7.343 -16.806 1.00 51.21 C ATOM 0 H ALA A 12 6.659 -7.091 -17.195 1.00 60.32 H new ATOM 0 HA ALA A 12 8.148 -7.072 -14.873 1.00 4.54 H new ATOM 0 HB1 ALA A 12 10.088 -7.362 -16.424 1.00 51.21 H new ATOM 0 HB2 ALA A 12 8.697 -8.364 -16.904 1.00 51.21 H new ATOM 0 HB3 ALA A 12 9.054 -6.857 -17.782 1.00 51.21 H new ATOM 144 N GLU A 13 8.957 -4.411 -16.658 1.00 22.14 N ATOM 145 CA GLU A 13 9.614 -3.104 -16.563 1.00 4.33 C ATOM 146 C GLU A 13 8.770 -2.108 -15.768 1.00 75.25 C ATOM 147 O GLU A 13 9.297 -1.344 -14.952 1.00 14.41 O ATOM 148 CB GLU A 13 9.944 -2.540 -17.950 1.00 32.21 C ATOM 149 CG GLU A 13 8.741 -2.316 -18.855 1.00 11.43 C ATOM 150 CD GLU A 13 8.045 -3.606 -19.250 1.00 52.44 C ATOM 151 OE1 GLU A 13 6.912 -3.846 -18.783 1.00 44.34 O ATOM 152 OE2 GLU A 13 8.645 -4.406 -19.997 1.00 43.52 O ATOM 0 H GLU A 13 8.677 -4.674 -17.603 1.00 22.14 H new ATOM 0 HA GLU A 13 10.551 -3.257 -16.027 1.00 4.33 H new ATOM 0 HB2 GLU A 13 10.468 -1.592 -17.825 1.00 32.21 H new ATOM 0 HB3 GLU A 13 10.633 -3.222 -18.449 1.00 32.21 H new ATOM 0 HG2 GLU A 13 8.028 -1.666 -18.348 1.00 11.43 H new ATOM 0 HG3 GLU A 13 9.064 -1.794 -19.756 1.00 11.43 H new ATOM 159 N GLU A 14 7.462 -2.128 -16.000 1.00 22.11 N ATOM 160 CA GLU A 14 6.543 -1.229 -15.308 1.00 0.25 C ATOM 161 C GLU A 14 6.588 -1.468 -13.799 1.00 50.14 C ATOM 162 O GLU A 14 6.551 -0.521 -13.013 1.00 61.11 O ATOM 163 CB GLU A 14 5.119 -1.416 -15.841 1.00 55.12 C ATOM 164 CG GLU A 14 4.960 -1.037 -17.309 1.00 12.34 C ATOM 165 CD GLU A 14 5.225 0.438 -17.566 1.00 50.35 C ATOM 166 OE1 GLU A 14 4.352 1.266 -17.236 1.00 3.02 O ATOM 167 OE2 GLU A 14 6.300 0.781 -18.107 1.00 0.11 O ATOM 0 H GLU A 14 7.012 -2.759 -16.664 1.00 22.11 H new ATOM 0 HA GLU A 14 6.854 -0.202 -15.498 1.00 0.25 H new ATOM 0 HB2 GLU A 14 4.825 -2.457 -15.710 1.00 55.12 H new ATOM 0 HB3 GLU A 14 4.435 -0.814 -15.243 1.00 55.12 H new ATOM 0 HG2 GLU A 14 5.644 -1.635 -17.911 1.00 12.34 H new ATOM 0 HG3 GLU A 14 3.950 -1.283 -17.636 1.00 12.34 H new ATOM 174 N LEU A 15 6.684 -2.738 -13.405 1.00 44.51 N ATOM 175 CA LEU A 15 6.783 -3.104 -11.991 1.00 70.14 C ATOM 176 C LEU A 15 8.008 -2.454 -11.360 1.00 14.25 C ATOM 177 O LEU A 15 7.939 -1.927 -10.252 1.00 0.23 O ATOM 178 CB LEU A 15 6.853 -4.632 -11.824 1.00 62.20 C ATOM 179 CG LEU A 15 7.160 -5.135 -10.397 1.00 44.45 C ATOM 180 CD1 LEU A 15 6.132 -4.617 -9.390 1.00 11.12 C ATOM 181 CD2 LEU A 15 7.223 -6.662 -10.369 1.00 51.24 C ATOM 0 H LEU A 15 6.695 -3.532 -14.046 1.00 44.51 H new ATOM 0 HA LEU A 15 5.889 -2.742 -11.484 1.00 70.14 H new ATOM 0 HB2 LEU A 15 5.902 -5.058 -12.143 1.00 62.20 H new ATOM 0 HB3 LEU A 15 7.617 -5.018 -12.498 1.00 62.20 H new ATOM 0 HG LEU A 15 8.134 -4.742 -10.106 1.00 44.45 H new ATOM 0 HD11 LEU A 15 6.377 -4.990 -8.395 1.00 11.12 H new ATOM 0 HD12 LEU A 15 6.147 -3.527 -9.383 1.00 11.12 H new ATOM 0 HD13 LEU A 15 5.138 -4.965 -9.673 1.00 11.12 H new ATOM 0 HD21 LEU A 15 7.440 -6.999 -9.355 1.00 51.24 H new ATOM 0 HD22 LEU A 15 6.265 -7.072 -10.690 1.00 51.24 H new ATOM 0 HD23 LEU A 15 8.008 -7.006 -11.042 1.00 51.24 H new ATOM 193 N LEU A 16 9.128 -2.488 -12.076 1.00 23.44 N ATOM 194 CA LEU A 16 10.375 -1.911 -11.581 1.00 63.31 C ATOM 195 C LEU A 16 10.178 -0.431 -11.263 1.00 32.15 C ATOM 196 O LEU A 16 10.468 0.021 -10.153 1.00 2.44 O ATOM 197 CB LEU A 16 11.500 -2.094 -12.612 1.00 71.53 C ATOM 198 CG LEU A 16 12.871 -1.525 -12.204 1.00 0.11 C ATOM 199 CD1 LEU A 16 13.388 -2.203 -10.937 1.00 14.23 C ATOM 200 CD2 LEU A 16 13.874 -1.668 -13.349 1.00 13.05 C ATOM 0 H LEU A 16 9.198 -2.909 -13.002 1.00 23.44 H new ATOM 0 HA LEU A 16 10.661 -2.431 -10.667 1.00 63.31 H new ATOM 0 HB2 LEU A 16 11.614 -3.159 -12.815 1.00 71.53 H new ATOM 0 HB3 LEU A 16 11.194 -1.623 -13.546 1.00 71.53 H new ATOM 0 HG LEU A 16 12.749 -0.464 -11.988 1.00 0.11 H new ATOM 0 HD11 LEU A 16 14.358 -1.783 -10.670 1.00 14.23 H new ATOM 0 HD12 LEU A 16 12.684 -2.037 -10.122 1.00 14.23 H new ATOM 0 HD13 LEU A 16 13.492 -3.274 -11.114 1.00 14.23 H new ATOM 0 HD21 LEU A 16 14.837 -1.260 -13.042 1.00 13.05 H new ATOM 0 HD22 LEU A 16 13.990 -2.722 -13.602 1.00 13.05 H new ATOM 0 HD23 LEU A 16 13.511 -1.124 -14.221 1.00 13.05 H new ATOM 212 N ALA A 17 9.650 0.303 -12.237 1.00 15.13 N ATOM 213 CA ALA A 17 9.431 1.738 -12.089 1.00 1.52 C ATOM 214 C ALA A 17 8.472 2.028 -10.935 1.00 10.21 C ATOM 215 O ALA A 17 8.785 2.812 -10.033 1.00 70.44 O ATOM 216 CB ALA A 17 8.894 2.321 -13.392 1.00 73.31 C ATOM 0 H ALA A 17 9.365 -0.074 -13.141 1.00 15.13 H new ATOM 0 HA ALA A 17 10.385 2.211 -11.858 1.00 1.52 H new ATOM 0 HB1 ALA A 17 8.733 3.392 -13.272 1.00 73.31 H new ATOM 0 HB2 ALA A 17 9.614 2.149 -14.192 1.00 73.31 H new ATOM 0 HB3 ALA A 17 7.950 1.839 -13.645 1.00 73.31 H new ATOM 222 N ASP A 18 7.318 1.365 -10.957 1.00 60.23 N ATOM 223 CA ASP A 18 6.269 1.606 -9.966 1.00 43.34 C ATOM 224 C ASP A 18 6.757 1.280 -8.559 1.00 54.44 C ATOM 225 O ASP A 18 6.598 2.084 -7.640 1.00 64.31 O ATOM 226 CB ASP A 18 5.016 0.781 -10.284 1.00 35.12 C ATOM 227 CG ASP A 18 3.891 1.020 -9.282 1.00 3.34 C ATOM 228 OD1 ASP A 18 3.289 2.118 -9.316 1.00 55.34 O ATOM 229 OD2 ASP A 18 3.599 0.112 -8.477 1.00 31.15 O ATOM 0 H ASP A 18 7.084 0.655 -11.651 1.00 60.23 H new ATOM 0 HA ASP A 18 6.015 2.665 -10.010 1.00 43.34 H new ATOM 0 HB2 ASP A 18 4.665 1.030 -11.286 1.00 35.12 H new ATOM 0 HB3 ASP A 18 5.274 -0.278 -10.290 1.00 35.12 H new ATOM 234 N VAL A 19 7.376 0.113 -8.399 1.00 11.43 N ATOM 235 CA VAL A 19 7.854 -0.315 -7.090 1.00 31.40 C ATOM 236 C VAL A 19 8.988 0.595 -6.621 1.00 72.23 C ATOM 237 O VAL A 19 9.121 0.856 -5.431 1.00 14.41 O ATOM 238 CB VAL A 19 8.313 -1.804 -7.072 1.00 24.03 C ATOM 239 CG1 VAL A 19 9.700 -1.982 -7.689 1.00 42.34 C ATOM 240 CG2 VAL A 19 8.274 -2.361 -5.647 1.00 1.45 C ATOM 0 H VAL A 19 7.557 -0.548 -9.154 1.00 11.43 H new ATOM 0 HA VAL A 19 7.012 -0.236 -6.402 1.00 31.40 H new ATOM 0 HB VAL A 19 7.613 -2.370 -7.687 1.00 24.03 H new ATOM 0 HG11 VAL A 19 9.981 -3.035 -7.656 1.00 42.34 H new ATOM 0 HG12 VAL A 19 9.684 -1.643 -8.725 1.00 42.34 H new ATOM 0 HG13 VAL A 19 10.426 -1.395 -7.127 1.00 42.34 H new ATOM 0 HG21 VAL A 19 8.598 -3.402 -5.654 1.00 1.45 H new ATOM 0 HG22 VAL A 19 8.940 -1.778 -5.010 1.00 1.45 H new ATOM 0 HG23 VAL A 19 7.257 -2.300 -5.260 1.00 1.45 H new ATOM 250 N GLU A 20 9.791 1.095 -7.563 1.00 33.41 N ATOM 251 CA GLU A 20 10.868 2.023 -7.227 1.00 32.43 C ATOM 252 C GLU A 20 10.289 3.309 -6.643 1.00 54.44 C ATOM 253 O GLU A 20 10.778 3.819 -5.631 1.00 42.33 O ATOM 254 CB GLU A 20 11.721 2.345 -8.459 1.00 3.42 C ATOM 255 CG GLU A 20 12.913 3.250 -8.157 1.00 73.31 C ATOM 256 CD GLU A 20 13.700 3.622 -9.400 1.00 31.44 C ATOM 257 OE1 GLU A 20 14.552 2.822 -9.835 1.00 73.15 O ATOM 258 OE2 GLU A 20 13.465 4.716 -9.956 1.00 4.02 O ATOM 0 H GLU A 20 9.716 0.874 -8.556 1.00 33.41 H new ATOM 0 HA GLU A 20 11.507 1.547 -6.484 1.00 32.43 H new ATOM 0 HB2 GLU A 20 12.084 1.413 -8.893 1.00 3.42 H new ATOM 0 HB3 GLU A 20 11.093 2.824 -9.210 1.00 3.42 H new ATOM 0 HG2 GLU A 20 12.559 4.159 -7.671 1.00 73.31 H new ATOM 0 HG3 GLU A 20 13.574 2.748 -7.451 1.00 73.31 H new ATOM 265 N GLU A 21 9.244 3.828 -7.285 1.00 54.05 N ATOM 266 CA GLU A 21 8.553 5.017 -6.795 1.00 54.33 C ATOM 267 C GLU A 21 7.917 4.729 -5.438 1.00 51.52 C ATOM 268 O GLU A 21 8.146 5.445 -4.460 1.00 44.25 O ATOM 269 CB GLU A 21 7.471 5.458 -7.792 1.00 50.34 C ATOM 270 CG GLU A 21 8.002 5.812 -9.177 1.00 64.11 C ATOM 271 CD GLU A 21 8.914 7.028 -9.171 1.00 1.14 C ATOM 272 OE1 GLU A 21 8.418 8.147 -9.418 1.00 63.32 O ATOM 273 OE2 GLU A 21 10.131 6.871 -8.928 1.00 65.45 O ATOM 0 H GLU A 21 8.858 3.443 -8.147 1.00 54.05 H new ATOM 0 HA GLU A 21 9.281 5.821 -6.688 1.00 54.33 H new ATOM 0 HB2 GLU A 21 6.736 4.659 -7.890 1.00 50.34 H new ATOM 0 HB3 GLU A 21 6.948 6.323 -7.384 1.00 50.34 H new ATOM 0 HG2 GLU A 21 8.547 4.958 -9.580 1.00 64.11 H new ATOM 0 HG3 GLU A 21 7.161 5.998 -9.845 1.00 64.11 H new ATOM 280 N ALA A 22 7.154 3.642 -5.385 1.00 23.35 N ATOM 281 CA ALA A 22 6.444 3.249 -4.175 1.00 12.33 C ATOM 282 C ALA A 22 7.402 3.123 -3.001 1.00 71.21 C ATOM 283 O ALA A 22 7.162 3.668 -1.930 1.00 61.05 O ATOM 284 CB ALA A 22 5.691 1.942 -4.399 1.00 52.53 C ATOM 0 H ALA A 22 7.011 3.013 -6.175 1.00 23.35 H new ATOM 0 HA ALA A 22 5.719 4.028 -3.936 1.00 12.33 H new ATOM 0 HB1 ALA A 22 5.166 1.663 -3.485 1.00 52.53 H new ATOM 0 HB2 ALA A 22 4.970 2.071 -5.206 1.00 52.53 H new ATOM 0 HB3 ALA A 22 6.398 1.156 -4.666 1.00 52.53 H new ATOM 290 N MET A 23 8.514 2.440 -3.223 1.00 43.14 N ATOM 291 CA MET A 23 9.491 2.186 -2.167 1.00 22.12 C ATOM 292 C MET A 23 10.101 3.474 -1.618 1.00 31.42 C ATOM 293 O MET A 23 10.776 3.445 -0.594 1.00 11.55 O ATOM 294 CB MET A 23 10.615 1.283 -2.662 1.00 60.53 C ATOM 295 CG MET A 23 10.204 -0.163 -2.907 1.00 12.51 C ATOM 296 SD MET A 23 9.673 -1.008 -1.402 1.00 55.54 S ATOM 297 CE MET A 23 9.288 -2.634 -2.049 1.00 4.01 C ATOM 0 H MET A 23 8.767 2.048 -4.130 1.00 43.14 H new ATOM 0 HA MET A 23 8.945 1.690 -1.364 1.00 22.12 H new ATOM 0 HB2 MET A 23 11.014 1.696 -3.589 1.00 60.53 H new ATOM 0 HB3 MET A 23 11.424 1.298 -1.932 1.00 60.53 H new ATOM 0 HG2 MET A 23 9.394 -0.187 -3.636 1.00 12.51 H new ATOM 0 HG3 MET A 23 11.043 -0.704 -3.345 1.00 12.51 H new ATOM 0 HE1 MET A 23 8.961 -3.281 -1.235 1.00 4.01 H new ATOM 0 HE2 MET A 23 8.492 -2.552 -2.789 1.00 4.01 H new ATOM 0 HE3 MET A 23 10.176 -3.059 -2.517 1.00 4.01 H new ATOM 307 N ARG A 24 9.908 4.593 -2.305 1.00 32.32 N ATOM 308 CA ARG A 24 10.492 5.859 -1.866 1.00 15.21 C ATOM 309 C ARG A 24 9.466 6.706 -1.117 1.00 11.11 C ATOM 310 O ARG A 24 9.829 7.661 -0.429 1.00 61.45 O ATOM 311 CB ARG A 24 11.052 6.634 -3.070 1.00 74.44 C ATOM 312 CG ARG A 24 11.973 7.790 -2.683 1.00 15.12 C ATOM 313 CD ARG A 24 13.213 7.299 -1.934 1.00 41.41 C ATOM 314 NE ARG A 24 14.098 6.502 -2.789 1.00 55.03 N ATOM 315 CZ ARG A 24 14.216 5.171 -2.736 1.00 4.03 C ATOM 316 NH1 ARG A 24 13.506 4.458 -1.867 1.00 1.42 N ATOM 317 NH2 ARG A 24 15.053 4.550 -3.553 1.00 4.40 N ATOM 0 H ARG A 24 9.357 4.653 -3.161 1.00 32.32 H new ATOM 0 HA ARG A 24 11.310 5.636 -1.181 1.00 15.21 H new ATOM 0 HB2 ARG A 24 11.600 5.944 -3.712 1.00 74.44 H new ATOM 0 HB3 ARG A 24 10.221 7.024 -3.658 1.00 74.44 H new ATOM 0 HG2 ARG A 24 12.279 8.328 -3.580 1.00 15.12 H new ATOM 0 HG3 ARG A 24 11.427 8.497 -2.059 1.00 15.12 H new ATOM 0 HD2 ARG A 24 13.763 8.156 -1.544 1.00 41.41 H new ATOM 0 HD3 ARG A 24 12.904 6.701 -1.076 1.00 41.41 H new ATOM 0 HE ARG A 24 14.666 7.000 -3.475 1.00 55.03 H new ATOM 0 HH11 ARG A 24 12.861 4.926 -1.230 1.00 1.42 H new ATOM 0 HH12 ARG A 24 13.606 3.443 -1.838 1.00 1.42 H new ATOM 0 HH21 ARG A 24 15.606 5.087 -4.221 1.00 4.40 H new ATOM 0 HH22 ARG A 24 15.145 3.535 -3.514 1.00 4.40 H new ATOM 331 N ASP A 25 8.193 6.337 -1.219 1.00 45.23 N ATOM 332 CA ASP A 25 7.116 7.158 -0.655 1.00 5.33 C ATOM 333 C ASP A 25 6.346 6.374 0.394 1.00 2.04 C ATOM 334 O ASP A 25 5.790 6.939 1.332 1.00 63.54 O ATOM 335 CB ASP A 25 6.176 7.633 -1.770 1.00 53.54 C ATOM 336 CG ASP A 25 5.079 8.558 -1.267 1.00 31.41 C ATOM 337 OD1 ASP A 25 5.392 9.707 -0.886 1.00 63.45 O ATOM 338 OD2 ASP A 25 3.904 8.149 -1.268 1.00 11.34 O ATOM 0 H ASP A 25 7.879 5.484 -1.682 1.00 45.23 H new ATOM 0 HA ASP A 25 7.556 8.032 -0.175 1.00 5.33 H new ATOM 0 HB2 ASP A 25 6.758 8.150 -2.533 1.00 53.54 H new ATOM 0 HB3 ASP A 25 5.721 6.766 -2.249 1.00 53.54 H new ATOM 343 N VAL A 26 6.363 5.060 0.243 1.00 25.01 N ATOM 344 CA VAL A 26 5.625 4.155 1.100 1.00 65.12 C ATOM 345 C VAL A 26 6.486 3.762 2.303 1.00 12.12 C ATOM 346 O VAL A 26 5.999 3.254 3.316 1.00 61.35 O ATOM 347 CB VAL A 26 5.207 2.905 0.282 1.00 64.00 C ATOM 348 CG1 VAL A 26 4.655 1.815 1.172 1.00 73.31 C ATOM 349 CG2 VAL A 26 4.194 3.289 -0.802 1.00 13.33 C ATOM 0 H VAL A 26 6.897 4.589 -0.488 1.00 25.01 H new ATOM 0 HA VAL A 26 4.726 4.645 1.473 1.00 65.12 H new ATOM 0 HB VAL A 26 6.101 2.509 -0.201 1.00 64.00 H new ATOM 0 HG11 VAL A 26 4.373 0.956 0.563 1.00 73.31 H new ATOM 0 HG12 VAL A 26 5.415 1.515 1.894 1.00 73.31 H new ATOM 0 HG13 VAL A 26 3.778 2.187 1.702 1.00 73.31 H new ATOM 0 HG21 VAL A 26 3.911 2.401 -1.367 1.00 13.33 H new ATOM 0 HG22 VAL A 26 3.308 3.720 -0.336 1.00 13.33 H new ATOM 0 HG23 VAL A 26 4.641 4.020 -1.476 1.00 13.33 H new ATOM 359 N VAL A 27 7.780 4.025 2.174 1.00 74.44 N ATOM 360 CA VAL A 27 8.740 3.747 3.230 1.00 30.45 C ATOM 361 C VAL A 27 8.921 4.991 4.102 1.00 32.31 C ATOM 362 O VAL A 27 8.527 6.096 3.709 1.00 2.30 O ATOM 363 CB VAL A 27 10.115 3.340 2.628 1.00 3.10 C ATOM 364 CG1 VAL A 27 10.838 4.556 2.043 1.00 23.02 C ATOM 365 CG2 VAL A 27 10.989 2.627 3.658 1.00 4.12 C ATOM 0 H VAL A 27 8.191 4.436 1.336 1.00 74.44 H new ATOM 0 HA VAL A 27 8.360 2.923 3.833 1.00 30.45 H new ATOM 0 HB VAL A 27 9.924 2.637 1.817 1.00 3.10 H new ATOM 0 HG11 VAL A 27 11.797 4.245 1.628 1.00 23.02 H new ATOM 0 HG12 VAL A 27 10.228 4.998 1.255 1.00 23.02 H new ATOM 0 HG13 VAL A 27 11.005 5.293 2.829 1.00 23.02 H new ATOM 0 HG21 VAL A 27 11.942 2.357 3.202 1.00 4.12 H new ATOM 0 HG22 VAL A 27 11.166 3.289 4.505 1.00 4.12 H new ATOM 0 HG23 VAL A 27 10.483 1.725 4.002 1.00 4.12 H new ATOM 375 N ASP A 28 9.495 4.812 5.284 1.00 3.53 N ATOM 376 CA ASP A 28 9.957 5.934 6.090 1.00 52.21 C ATOM 377 C ASP A 28 11.476 6.012 5.983 1.00 51.55 C ATOM 378 O ASP A 28 12.191 5.341 6.733 1.00 35.33 O ATOM 379 CB ASP A 28 9.540 5.785 7.557 1.00 13.13 C ATOM 380 CG ASP A 28 10.047 6.947 8.407 1.00 5.42 C ATOM 381 OD1 ASP A 28 11.143 6.826 8.999 1.00 13.11 O ATOM 382 OD2 ASP A 28 9.365 7.995 8.459 1.00 1.14 O ATOM 0 H ASP A 28 9.652 3.897 5.707 1.00 3.53 H new ATOM 0 HA ASP A 28 9.500 6.850 5.715 1.00 52.21 H new ATOM 0 HB2 ASP A 28 8.453 5.732 7.623 1.00 13.13 H new ATOM 0 HB3 ASP A 28 9.929 4.847 7.953 1.00 13.13 H new ATOM 387 N PRO A 29 11.993 6.796 5.018 1.00 23.23 N ATOM 388 CA PRO A 29 13.426 6.890 4.770 1.00 35.34 C ATOM 389 C PRO A 29 14.105 7.881 5.714 1.00 14.23 C ATOM 390 O PRO A 29 15.329 8.028 5.700 1.00 24.43 O ATOM 391 CB PRO A 29 13.486 7.355 3.309 1.00 63.03 C ATOM 392 CG PRO A 29 12.248 8.170 3.110 1.00 5.41 C ATOM 393 CD PRO A 29 11.221 7.661 4.100 1.00 0.00 C ATOM 0 HA PRO A 29 13.954 5.952 4.943 1.00 35.34 H new ATOM 0 HB2 PRO A 29 14.382 7.946 3.120 1.00 63.03 H new ATOM 0 HB3 PRO A 29 13.514 6.506 2.626 1.00 63.03 H new ATOM 0 HG2 PRO A 29 12.452 9.228 3.275 1.00 5.41 H new ATOM 0 HG3 PRO A 29 11.881 8.072 2.088 1.00 5.41 H new ATOM 0 HD2 PRO A 29 10.744 8.482 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.429 7.103 3.600 1.00 0.00 H new ATOM 401 N GLU A 30 13.298 8.556 6.533 1.00 54.14 N ATOM 402 CA GLU A 30 13.811 9.502 7.518 1.00 71.11 C ATOM 403 C GLU A 30 14.565 8.762 8.620 1.00 55.10 C ATOM 404 O GLU A 30 15.749 9.019 8.858 1.00 5.51 O ATOM 405 CB GLU A 30 12.660 10.320 8.122 1.00 44.52 C ATOM 406 CG GLU A 30 11.864 11.116 7.092 1.00 24.03 C ATOM 407 CD GLU A 30 12.739 12.050 6.267 1.00 22.41 C ATOM 408 OE1 GLU A 30 13.288 13.019 6.835 1.00 35.11 O ATOM 409 OE2 GLU A 30 12.886 11.822 5.044 1.00 74.13 O ATOM 0 H GLU A 30 12.282 8.463 6.532 1.00 54.14 H new ATOM 0 HA GLU A 30 14.500 10.183 7.019 1.00 71.11 H new ATOM 0 HB2 GLU A 30 11.984 9.646 8.648 1.00 44.52 H new ATOM 0 HB3 GLU A 30 13.066 11.007 8.864 1.00 44.52 H new ATOM 0 HG2 GLU A 30 11.347 10.425 6.425 1.00 24.03 H new ATOM 0 HG3 GLU A 30 11.098 11.699 7.603 1.00 24.03 H new ATOM 416 N LEU A 31 13.878 7.835 9.283 1.00 61.03 N ATOM 417 CA LEU A 31 14.478 7.044 10.354 1.00 65.02 C ATOM 418 C LEU A 31 14.874 5.659 9.841 1.00 15.23 C ATOM 419 O LEU A 31 15.663 4.953 10.472 1.00 65.34 O ATOM 420 CB LEU A 31 13.505 6.924 11.535 1.00 13.52 C ATOM 421 CG LEU A 31 13.039 8.256 12.145 1.00 13.01 C ATOM 422 CD1 LEU A 31 12.038 8.015 13.274 1.00 71.44 C ATOM 423 CD2 LEU A 31 14.231 9.071 12.647 1.00 23.14 C ATOM 0 H LEU A 31 12.900 7.613 9.096 1.00 61.03 H new ATOM 0 HA LEU A 31 15.379 7.551 10.697 1.00 65.02 H new ATOM 0 HB2 LEU A 31 12.627 6.368 11.205 1.00 13.52 H new ATOM 0 HB3 LEU A 31 13.981 6.333 12.317 1.00 13.52 H new ATOM 0 HG LEU A 31 12.540 8.829 11.363 1.00 13.01 H new ATOM 0 HD11 LEU A 31 11.722 8.971 13.691 1.00 71.44 H new ATOM 0 HD12 LEU A 31 11.169 7.485 12.883 1.00 71.44 H new ATOM 0 HD13 LEU A 31 12.507 7.416 14.055 1.00 71.44 H new ATOM 0 HD21 LEU A 31 13.876 10.009 13.074 1.00 23.14 H new ATOM 0 HD22 LEU A 31 14.764 8.504 13.410 1.00 23.14 H new ATOM 0 HD23 LEU A 31 14.903 9.282 11.815 1.00 23.14 H new ATOM 435 N GLY A 32 14.311 5.277 8.698 1.00 61.04 N ATOM 436 CA GLY A 32 14.703 4.040 8.039 1.00 73.12 C ATOM 437 C GLY A 32 13.813 2.863 8.391 1.00 0.43 C ATOM 438 O GLY A 32 14.301 1.755 8.634 1.00 62.32 O ATOM 0 H GLY A 32 13.586 5.805 8.213 1.00 61.04 H new ATOM 0 HA2 GLY A 32 14.685 4.190 6.960 1.00 73.12 H new ATOM 0 HA3 GLY A 32 15.732 3.802 8.310 1.00 73.12 H new ATOM 442 N ILE A 33 12.503 3.090 8.414 1.00 61.11 N ATOM 443 CA ILE A 33 11.543 2.014 8.667 1.00 74.25 C ATOM 444 C ILE A 33 10.803 1.679 7.381 1.00 11.21 C ATOM 445 O ILE A 33 10.451 2.567 6.609 1.00 22.43 O ATOM 446 CB ILE A 33 10.492 2.364 9.762 1.00 31.21 C ATOM 447 CG1 ILE A 33 11.157 2.674 11.120 1.00 34.35 C ATOM 448 CG2 ILE A 33 9.478 1.228 9.925 1.00 42.43 C ATOM 449 CD1 ILE A 33 11.894 3.992 11.167 1.00 63.33 C ATOM 0 H ILE A 33 12.080 4.006 8.261 1.00 61.11 H new ATOM 0 HA ILE A 33 12.123 1.165 9.029 1.00 74.25 H new ATOM 0 HB ILE A 33 9.972 3.262 9.430 1.00 31.21 H new ATOM 0 HG12 ILE A 33 10.391 2.672 11.895 1.00 34.35 H new ATOM 0 HG13 ILE A 33 11.855 1.872 11.360 1.00 34.35 H new ATOM 0 HG21 ILE A 33 8.754 1.494 10.695 1.00 42.43 H new ATOM 0 HG22 ILE A 33 8.960 1.065 8.980 1.00 42.43 H new ATOM 0 HG23 ILE A 33 9.998 0.315 10.216 1.00 42.43 H new ATOM 0 HD11 ILE A 33 12.330 4.130 12.156 1.00 63.33 H new ATOM 0 HD12 ILE A 33 12.686 3.993 10.418 1.00 63.33 H new ATOM 0 HD13 ILE A 33 11.198 4.805 10.961 1.00 63.33 H new ATOM 461 N ASN A 34 10.564 0.400 7.165 1.00 24.13 N ATOM 462 CA ASN A 34 9.833 -0.066 5.989 1.00 14.53 C ATOM 463 C ASN A 34 8.598 -0.845 6.435 1.00 60.35 C ATOM 464 O ASN A 34 8.703 -1.836 7.155 1.00 70.15 O ATOM 465 CB ASN A 34 10.739 -0.915 5.075 1.00 52.34 C ATOM 466 CG ASN A 34 11.310 -2.151 5.753 1.00 41.41 C ATOM 467 OD1 ASN A 34 10.739 -3.235 5.678 1.00 13.20 O ATOM 468 ND2 ASN A 34 12.447 -1.995 6.413 1.00 61.24 N ATOM 0 H ASN A 34 10.866 -0.346 7.792 1.00 24.13 H new ATOM 0 HA ASN A 34 9.509 0.795 5.404 1.00 14.53 H new ATOM 0 HB2 ASN A 34 10.168 -1.224 4.199 1.00 52.34 H new ATOM 0 HB3 ASN A 34 11.562 -0.295 4.718 1.00 52.34 H new ATOM 0 HD21 ASN A 34 12.878 -2.792 6.882 1.00 61.24 H new ATOM 0 HD22 ASN A 34 12.892 -1.078 6.453 1.00 61.24 H new ATOM 475 N VAL A 35 7.429 -0.376 6.010 1.00 32.01 N ATOM 476 CA VAL A 35 6.154 -0.921 6.472 1.00 4.23 C ATOM 477 C VAL A 35 6.009 -2.412 6.134 1.00 14.30 C ATOM 478 O VAL A 35 5.326 -3.156 6.840 1.00 61.05 O ATOM 479 CB VAL A 35 4.962 -0.120 5.883 1.00 53.42 C ATOM 480 CG1 VAL A 35 5.028 1.344 6.330 1.00 32.24 C ATOM 481 CG2 VAL A 35 4.930 -0.220 4.357 1.00 73.43 C ATOM 0 H VAL A 35 7.337 0.388 5.340 1.00 32.01 H new ATOM 0 HA VAL A 35 6.142 -0.824 7.558 1.00 4.23 H new ATOM 0 HB VAL A 35 4.039 -0.557 6.264 1.00 53.42 H new ATOM 0 HG11 VAL A 35 4.185 1.892 5.908 1.00 32.24 H new ATOM 0 HG12 VAL A 35 4.986 1.394 7.418 1.00 32.24 H new ATOM 0 HG13 VAL A 35 5.960 1.789 5.982 1.00 32.24 H new ATOM 0 HG21 VAL A 35 4.085 0.351 3.973 1.00 73.43 H new ATOM 0 HG22 VAL A 35 5.856 0.182 3.947 1.00 73.43 H new ATOM 0 HG23 VAL A 35 4.826 -1.264 4.063 1.00 73.43 H new ATOM 491 N VAL A 36 6.677 -2.851 5.069 1.00 3.24 N ATOM 492 CA VAL A 36 6.623 -4.253 4.648 1.00 54.55 C ATOM 493 C VAL A 36 7.194 -5.172 5.737 1.00 43.52 C ATOM 494 O VAL A 36 6.844 -6.353 5.820 1.00 22.42 O ATOM 495 CB VAL A 36 7.373 -4.475 3.305 1.00 72.42 C ATOM 496 CG1 VAL A 36 8.871 -4.214 3.456 1.00 54.21 C ATOM 497 CG2 VAL A 36 7.108 -5.880 2.758 1.00 63.11 C ATOM 0 H VAL A 36 7.262 -2.258 4.481 1.00 3.24 H new ATOM 0 HA VAL A 36 5.574 -4.507 4.492 1.00 54.55 H new ATOM 0 HB VAL A 36 6.986 -3.755 2.584 1.00 72.42 H new ATOM 0 HG11 VAL A 36 9.367 -4.378 2.499 1.00 54.21 H new ATOM 0 HG12 VAL A 36 9.030 -3.184 3.776 1.00 54.21 H new ATOM 0 HG13 VAL A 36 9.285 -4.894 4.201 1.00 54.21 H new ATOM 0 HG21 VAL A 36 7.643 -6.011 1.818 1.00 63.11 H new ATOM 0 HG22 VAL A 36 7.452 -6.622 3.478 1.00 63.11 H new ATOM 0 HG23 VAL A 36 6.039 -6.009 2.588 1.00 63.11 H new ATOM 507 N ASP A 37 8.063 -4.612 6.583 1.00 5.20 N ATOM 508 CA ASP A 37 8.681 -5.358 7.684 1.00 53.42 C ATOM 509 C ASP A 37 7.639 -5.777 8.728 1.00 61.24 C ATOM 510 O ASP A 37 7.898 -6.650 9.559 1.00 20.24 O ATOM 511 CB ASP A 37 9.790 -4.517 8.337 1.00 51.01 C ATOM 512 CG ASP A 37 10.504 -5.245 9.469 1.00 5.43 C ATOM 513 OD1 ASP A 37 11.103 -6.314 9.216 1.00 14.53 O ATOM 514 OD2 ASP A 37 10.486 -4.743 10.614 1.00 44.43 O ATOM 0 H ASP A 37 8.357 -3.637 6.526 1.00 5.20 H new ATOM 0 HA ASP A 37 9.122 -6.266 7.272 1.00 53.42 H new ATOM 0 HB2 ASP A 37 10.519 -4.235 7.577 1.00 51.01 H new ATOM 0 HB3 ASP A 37 9.358 -3.593 8.722 1.00 51.01 H new ATOM 519 N LEU A 38 6.451 -5.167 8.678 1.00 50.23 N ATOM 520 CA LEU A 38 5.342 -5.577 9.547 1.00 73.35 C ATOM 521 C LEU A 38 4.921 -7.011 9.219 1.00 43.31 C ATOM 522 O LEU A 38 4.218 -7.659 9.994 1.00 53.40 O ATOM 523 CB LEU A 38 4.144 -4.616 9.412 1.00 31.32 C ATOM 524 CG LEU A 38 4.217 -3.326 10.256 1.00 35.25 C ATOM 525 CD1 LEU A 38 4.197 -3.653 11.749 1.00 64.41 C ATOM 526 CD2 LEU A 38 5.457 -2.503 9.904 1.00 23.53 C ATOM 0 H LEU A 38 6.233 -4.393 8.050 1.00 50.23 H new ATOM 0 HA LEU A 38 5.685 -5.537 10.581 1.00 73.35 H new ATOM 0 HB2 LEU A 38 4.044 -4.336 8.363 1.00 31.32 H new ATOM 0 HB3 LEU A 38 3.237 -5.156 9.686 1.00 31.32 H new ATOM 0 HG LEU A 38 3.337 -2.726 10.022 1.00 35.25 H new ATOM 0 HD11 LEU A 38 4.249 -2.729 12.325 1.00 64.41 H new ATOM 0 HD12 LEU A 38 3.275 -4.181 11.993 1.00 64.41 H new ATOM 0 HD13 LEU A 38 5.052 -4.283 11.995 1.00 64.41 H new ATOM 0 HD21 LEU A 38 5.480 -1.601 10.515 1.00 23.53 H new ATOM 0 HD22 LEU A 38 6.352 -3.094 10.096 1.00 23.53 H new ATOM 0 HD23 LEU A 38 5.423 -2.227 8.850 1.00 23.53 H new ATOM 538 N GLY A 39 5.347 -7.483 8.049 1.00 3.02 N ATOM 539 CA GLY A 39 5.158 -8.870 7.656 1.00 53.04 C ATOM 540 C GLY A 39 3.704 -9.286 7.529 1.00 71.42 C ATOM 541 O GLY A 39 3.386 -10.469 7.658 1.00 24.25 O ATOM 0 H GLY A 39 5.830 -6.915 7.353 1.00 3.02 H new ATOM 0 HA2 GLY A 39 5.657 -9.037 6.702 1.00 53.04 H new ATOM 0 HA3 GLY A 39 5.646 -9.513 8.388 1.00 53.04 H new ATOM 545 N LEU A 40 2.816 -8.319 7.321 1.00 14.33 N ATOM 546 CA LEU A 40 1.423 -8.606 6.975 1.00 20.42 C ATOM 547 C LEU A 40 1.244 -8.474 5.455 1.00 43.42 C ATOM 548 O LEU A 40 0.461 -9.198 4.832 1.00 71.53 O ATOM 549 CB LEU A 40 0.485 -7.643 7.731 1.00 23.11 C ATOM 550 CG LEU A 40 -0.920 -8.181 8.093 1.00 71.01 C ATOM 551 CD1 LEU A 40 -1.707 -8.593 6.859 1.00 64.11 C ATOM 552 CD2 LEU A 40 -0.829 -9.347 9.073 1.00 4.32 C ATOM 0 H LEU A 40 3.035 -7.325 7.386 1.00 14.33 H new ATOM 0 HA LEU A 40 1.168 -9.624 7.270 1.00 20.42 H new ATOM 0 HB2 LEU A 40 0.981 -7.339 8.653 1.00 23.11 H new ATOM 0 HB3 LEU A 40 0.360 -6.745 7.126 1.00 23.11 H new ATOM 0 HG LEU A 40 -1.456 -7.362 8.573 1.00 71.01 H new ATOM 0 HD11 LEU A 40 -2.687 -8.964 7.160 1.00 64.11 H new ATOM 0 HD12 LEU A 40 -1.831 -7.732 6.202 1.00 64.11 H new ATOM 0 HD13 LEU A 40 -1.168 -9.378 6.329 1.00 64.11 H new ATOM 0 HD21 LEU A 40 -1.832 -9.704 9.308 1.00 4.32 H new ATOM 0 HD22 LEU A 40 -0.253 -10.156 8.624 1.00 4.32 H new ATOM 0 HD23 LEU A 40 -0.338 -9.016 9.988 1.00 4.32 H new ATOM 564 N VAL A 41 2.033 -7.572 4.867 1.00 65.00 N ATOM 565 CA VAL A 41 1.869 -7.152 3.472 1.00 31.03 C ATOM 566 C VAL A 41 1.972 -8.327 2.494 1.00 55.03 C ATOM 567 O VAL A 41 1.505 -8.239 1.361 1.00 30.22 O ATOM 568 CB VAL A 41 2.920 -6.072 3.096 1.00 54.33 C ATOM 569 CG1 VAL A 41 2.687 -5.542 1.680 1.00 22.13 C ATOM 570 CG2 VAL A 41 2.902 -4.928 4.112 1.00 3.31 C ATOM 0 H VAL A 41 2.806 -7.110 5.346 1.00 65.00 H new ATOM 0 HA VAL A 41 0.866 -6.733 3.389 1.00 31.03 H new ATOM 0 HB VAL A 41 3.905 -6.539 3.119 1.00 54.33 H new ATOM 0 HG11 VAL A 41 3.438 -4.788 1.446 1.00 22.13 H new ATOM 0 HG12 VAL A 41 2.763 -6.363 0.967 1.00 22.13 H new ATOM 0 HG13 VAL A 41 1.694 -5.097 1.617 1.00 22.13 H new ATOM 0 HG21 VAL A 41 3.645 -4.181 3.832 1.00 3.31 H new ATOM 0 HG22 VAL A 41 1.913 -4.469 4.126 1.00 3.31 H new ATOM 0 HG23 VAL A 41 3.135 -5.318 5.103 1.00 3.31 H new ATOM 580 N TYR A 42 2.572 -9.432 2.945 1.00 54.14 N ATOM 581 CA TYR A 42 2.723 -10.624 2.104 1.00 12.52 C ATOM 582 C TYR A 42 1.369 -11.070 1.548 1.00 64.11 C ATOM 583 O TYR A 42 1.301 -11.747 0.519 1.00 41.22 O ATOM 584 CB TYR A 42 3.379 -11.771 2.892 1.00 41.40 C ATOM 585 CG TYR A 42 2.501 -12.381 3.972 1.00 65.45 C ATOM 586 CD1 TYR A 42 2.299 -11.728 5.180 1.00 71.14 C ATOM 587 CD2 TYR A 42 1.888 -13.618 3.787 1.00 4.25 C ATOM 588 CE1 TYR A 42 1.517 -12.285 6.174 1.00 13.35 C ATOM 589 CE2 TYR A 42 1.100 -14.178 4.775 1.00 70.31 C ATOM 590 CZ TYR A 42 0.920 -13.508 5.967 1.00 12.04 C ATOM 591 OH TYR A 42 0.151 -14.069 6.963 1.00 31.43 O ATOM 0 H TYR A 42 2.960 -9.527 3.884 1.00 54.14 H new ATOM 0 HA TYR A 42 3.373 -10.364 1.268 1.00 12.52 H new ATOM 0 HB2 TYR A 42 3.669 -12.555 2.193 1.00 41.40 H new ATOM 0 HB3 TYR A 42 4.294 -11.400 3.353 1.00 41.40 H new ATOM 0 HD1 TYR A 42 2.762 -10.766 5.346 1.00 71.14 H new ATOM 0 HD2 TYR A 42 2.031 -14.148 2.857 1.00 4.25 H new ATOM 0 HE1 TYR A 42 1.375 -11.763 7.109 1.00 13.35 H new ATOM 0 HE2 TYR A 42 0.627 -15.136 4.614 1.00 70.31 H new ATOM 0 HH TYR A 42 -0.200 -14.932 6.659 1.00 31.43 H new ATOM 601 N GLY A 43 0.298 -10.690 2.245 1.00 31.32 N ATOM 602 CA GLY A 43 -1.044 -10.971 1.775 1.00 2.12 C ATOM 603 C GLY A 43 -1.539 -9.893 0.828 1.00 44.20 C ATOM 604 O GLY A 43 -2.340 -9.039 1.208 1.00 33.23 O ATOM 0 H GLY A 43 0.341 -10.189 3.133 1.00 31.32 H new ATOM 0 HA2 GLY A 43 -1.059 -11.936 1.269 1.00 2.12 H new ATOM 0 HA3 GLY A 43 -1.720 -11.047 2.626 1.00 2.12 H new ATOM 608 N LEU A 44 -1.049 -9.917 -0.407 1.00 74.44 N ATOM 609 CA LEU A 44 -1.453 -8.934 -1.407 1.00 64.23 C ATOM 610 C LEU A 44 -1.909 -9.623 -2.691 1.00 73.52 C ATOM 611 O LEU A 44 -1.250 -10.539 -3.191 1.00 5.51 O ATOM 612 CB LEU A 44 -0.309 -7.930 -1.678 1.00 45.14 C ATOM 613 CG LEU A 44 1.034 -8.516 -2.177 1.00 13.20 C ATOM 614 CD1 LEU A 44 1.055 -8.668 -3.698 1.00 0.22 C ATOM 615 CD2 LEU A 44 2.206 -7.650 -1.718 1.00 13.12 C ATOM 0 H LEU A 44 -0.373 -10.605 -0.739 1.00 74.44 H new ATOM 0 HA LEU A 44 -2.301 -8.372 -1.016 1.00 64.23 H new ATOM 0 HB2 LEU A 44 -0.659 -7.208 -2.416 1.00 45.14 H new ATOM 0 HB3 LEU A 44 -0.117 -7.378 -0.758 1.00 45.14 H new ATOM 0 HG LEU A 44 1.136 -9.509 -1.740 1.00 13.20 H new ATOM 0 HD11 LEU A 44 2.014 -9.082 -4.009 1.00 0.22 H new ATOM 0 HD12 LEU A 44 0.253 -9.338 -4.008 1.00 0.22 H new ATOM 0 HD13 LEU A 44 0.913 -7.692 -4.163 1.00 0.22 H new ATOM 0 HD21 LEU A 44 3.140 -8.080 -2.080 1.00 13.12 H new ATOM 0 HD22 LEU A 44 2.092 -6.642 -2.117 1.00 13.12 H new ATOM 0 HD23 LEU A 44 2.223 -7.609 -0.629 1.00 13.12 H new ATOM 627 N ASP A 45 -3.054 -9.181 -3.199 1.00 64.44 N ATOM 628 CA ASP A 45 -3.627 -9.689 -4.444 1.00 4.33 C ATOM 629 C ASP A 45 -4.417 -8.572 -5.102 1.00 32.32 C ATOM 630 O ASP A 45 -4.584 -7.508 -4.515 1.00 42.20 O ATOM 631 CB ASP A 45 -4.553 -10.895 -4.191 1.00 53.42 C ATOM 632 CG ASP A 45 -3.803 -12.203 -3.993 1.00 1.12 C ATOM 633 OD1 ASP A 45 -3.312 -12.766 -4.995 1.00 70.13 O ATOM 634 OD2 ASP A 45 -3.736 -12.697 -2.847 1.00 71.23 O ATOM 0 H ASP A 45 -3.616 -8.454 -2.756 1.00 64.44 H new ATOM 0 HA ASP A 45 -2.816 -10.024 -5.092 1.00 4.33 H new ATOM 0 HB2 ASP A 45 -5.162 -10.697 -3.309 1.00 53.42 H new ATOM 0 HB3 ASP A 45 -5.237 -11.001 -5.033 1.00 53.42 H new ATOM 639 N VAL A 46 -4.895 -8.797 -6.314 1.00 34.23 N ATOM 640 CA VAL A 46 -5.752 -7.823 -6.984 1.00 75.45 C ATOM 641 C VAL A 46 -6.914 -8.541 -7.669 1.00 44.51 C ATOM 642 O VAL A 46 -6.748 -9.653 -8.185 1.00 20.34 O ATOM 643 CB VAL A 46 -4.973 -6.964 -8.022 1.00 14.44 C ATOM 644 CG1 VAL A 46 -3.787 -6.245 -7.375 1.00 53.22 C ATOM 645 CG2 VAL A 46 -4.500 -7.814 -9.190 1.00 2.30 C ATOM 0 H VAL A 46 -4.708 -9.641 -6.856 1.00 34.23 H new ATOM 0 HA VAL A 46 -6.132 -7.143 -6.221 1.00 75.45 H new ATOM 0 HB VAL A 46 -5.662 -6.209 -8.400 1.00 14.44 H new ATOM 0 HG11 VAL A 46 -3.265 -5.654 -8.128 1.00 53.22 H new ATOM 0 HG12 VAL A 46 -4.148 -5.588 -6.584 1.00 53.22 H new ATOM 0 HG13 VAL A 46 -3.103 -6.980 -6.952 1.00 53.22 H new ATOM 0 HG21 VAL A 46 -3.959 -7.188 -9.900 1.00 2.30 H new ATOM 0 HG22 VAL A 46 -3.841 -8.601 -8.824 1.00 2.30 H new ATOM 0 HG23 VAL A 46 -5.361 -8.263 -9.685 1.00 2.30 H new ATOM 655 N GLN A 47 -8.089 -7.922 -7.641 1.00 60.14 N ATOM 656 CA GLN A 47 -9.273 -8.478 -8.291 1.00 4.35 C ATOM 657 C GLN A 47 -9.685 -7.598 -9.462 1.00 22.13 C ATOM 658 O GLN A 47 -9.957 -6.408 -9.291 1.00 30.53 O ATOM 659 CB GLN A 47 -10.448 -8.609 -7.309 1.00 23.43 C ATOM 660 CG GLN A 47 -10.166 -9.510 -6.114 1.00 12.33 C ATOM 661 CD GLN A 47 -11.436 -9.956 -5.408 1.00 63.43 C ATOM 662 OE1 GLN A 47 -11.917 -9.156 -4.471 1.00 51.13 O flip ATOM 663 NE2 GLN A 47 -11.994 -11.009 -5.722 1.00 21.51 N flip ATOM 0 H GLN A 47 -8.249 -7.030 -7.173 1.00 60.14 H new ATOM 0 HA GLN A 47 -9.017 -9.475 -8.650 1.00 4.35 H new ATOM 0 HB2 GLN A 47 -10.716 -7.617 -6.946 1.00 23.43 H new ATOM 0 HB3 GLN A 47 -11.314 -8.997 -7.846 1.00 23.43 H new ATOM 0 HG2 GLN A 47 -9.612 -10.388 -6.448 1.00 12.33 H new ATOM 0 HG3 GLN A 47 -9.528 -8.981 -5.407 1.00 12.33 H new ATOM 0 HE21 GLN A 47 -11.594 -11.601 -6.450 1.00 21.51 H new ATOM 0 HE22 GLN A 47 -12.856 -11.288 -5.254 1.00 21.51 H new ATOM 672 N ASP A 48 -9.714 -8.182 -10.646 1.00 72.41 N ATOM 673 CA ASP A 48 -10.153 -7.478 -11.840 1.00 14.13 C ATOM 674 C ASP A 48 -11.674 -7.418 -11.874 1.00 14.51 C ATOM 675 O ASP A 48 -12.340 -8.449 -12.002 1.00 62.24 O ATOM 676 CB ASP A 48 -9.618 -8.177 -13.093 1.00 62.31 C ATOM 677 CG ASP A 48 -9.976 -7.441 -14.371 1.00 0.31 C ATOM 678 OD1 ASP A 48 -10.842 -7.929 -15.126 1.00 51.41 O ATOM 679 OD2 ASP A 48 -9.379 -6.375 -14.631 1.00 34.34 O ATOM 0 H ASP A 48 -9.437 -9.150 -10.808 1.00 72.41 H new ATOM 0 HA ASP A 48 -9.761 -6.461 -11.818 1.00 14.13 H new ATOM 0 HB2 ASP A 48 -8.534 -8.265 -13.020 1.00 62.31 H new ATOM 0 HB3 ASP A 48 -10.018 -9.190 -13.138 1.00 62.31 H new ATOM 684 N GLY A 49 -12.222 -6.221 -11.729 1.00 41.11 N ATOM 685 CA GLY A 49 -13.661 -6.055 -11.710 1.00 23.13 C ATOM 686 C GLY A 49 -14.174 -5.357 -12.950 1.00 41.32 C ATOM 687 O GLY A 49 -13.428 -4.650 -13.627 1.00 34.22 O ATOM 0 H GLY A 49 -11.692 -5.356 -11.623 1.00 41.11 H new ATOM 0 HA2 GLY A 49 -14.136 -7.032 -11.623 1.00 23.13 H new ATOM 0 HA3 GLY A 49 -13.947 -5.482 -10.828 1.00 23.13 H new ATOM 691 N ASP A 50 -15.458 -5.553 -13.236 1.00 43.23 N ATOM 692 CA ASP A 50 -16.115 -4.947 -14.395 1.00 1.12 C ATOM 693 C ASP A 50 -15.956 -3.429 -14.394 1.00 54.35 C ATOM 694 O ASP A 50 -15.828 -2.802 -15.449 1.00 63.43 O ATOM 695 CB ASP A 50 -17.610 -5.299 -14.399 1.00 2.31 C ATOM 696 CG ASP A 50 -17.875 -6.793 -14.509 1.00 22.34 C ATOM 697 OD1 ASP A 50 -17.532 -7.536 -13.561 1.00 21.45 O ATOM 698 OD2 ASP A 50 -18.457 -7.228 -15.526 1.00 42.23 O ATOM 0 H ASP A 50 -16.075 -6.137 -12.671 1.00 43.23 H new ATOM 0 HA ASP A 50 -15.638 -5.345 -15.291 1.00 1.12 H new ATOM 0 HB2 ASP A 50 -18.068 -4.922 -13.484 1.00 2.31 H new ATOM 0 HB3 ASP A 50 -18.094 -4.789 -15.231 1.00 2.31 H new ATOM 703 N GLU A 51 -15.963 -2.842 -13.202 1.00 24.25 N ATOM 704 CA GLU A 51 -15.877 -1.389 -13.048 1.00 5.54 C ATOM 705 C GLU A 51 -14.424 -0.934 -12.897 1.00 73.03 C ATOM 706 O GLU A 51 -14.145 0.263 -12.779 1.00 73.04 O ATOM 707 CB GLU A 51 -16.713 -0.952 -11.840 1.00 34.02 C ATOM 708 CG GLU A 51 -16.298 -1.619 -10.534 1.00 2.35 C ATOM 709 CD GLU A 51 -17.303 -1.404 -9.416 1.00 51.34 C ATOM 710 OE1 GLU A 51 -17.246 -0.349 -8.749 1.00 0.11 O ATOM 711 OE2 GLU A 51 -18.161 -2.290 -9.207 1.00 34.34 O ATOM 0 H GLU A 51 -16.028 -3.352 -12.321 1.00 24.25 H new ATOM 0 HA GLU A 51 -16.274 -0.917 -13.947 1.00 5.54 H new ATOM 0 HB2 GLU A 51 -16.634 0.129 -11.727 1.00 34.02 H new ATOM 0 HB3 GLU A 51 -17.762 -1.176 -12.035 1.00 34.02 H new ATOM 0 HG2 GLU A 51 -16.172 -2.689 -10.702 1.00 2.35 H new ATOM 0 HG3 GLU A 51 -15.329 -1.229 -10.224 1.00 2.35 H new ATOM 718 N GLY A 52 -13.501 -1.890 -12.913 1.00 51.21 N ATOM 719 CA GLY A 52 -12.087 -1.576 -12.806 1.00 15.35 C ATOM 720 C GLY A 52 -11.340 -2.571 -11.938 1.00 40.32 C ATOM 721 O GLY A 52 -11.933 -3.222 -11.074 1.00 62.54 O ATOM 0 H GLY A 52 -13.709 -2.885 -12.999 1.00 51.21 H new ATOM 0 HA2 GLY A 52 -11.644 -1.562 -13.802 1.00 15.35 H new ATOM 0 HA3 GLY A 52 -11.970 -0.575 -12.391 1.00 15.35 H new ATOM 725 N THR A 53 -10.038 -2.696 -12.173 1.00 65.12 N ATOM 726 CA THR A 53 -9.191 -3.574 -11.383 1.00 53.03 C ATOM 727 C THR A 53 -8.924 -2.957 -10.010 1.00 20.41 C ATOM 728 O THR A 53 -8.408 -1.840 -9.913 1.00 64.40 O ATOM 729 CB THR A 53 -7.846 -3.836 -12.102 1.00 12.52 C ATOM 730 OG1 THR A 53 -8.088 -4.250 -13.456 1.00 2.30 O ATOM 731 CG2 THR A 53 -7.029 -4.906 -11.380 1.00 22.34 C ATOM 0 H THR A 53 -9.546 -2.194 -12.912 1.00 65.12 H new ATOM 0 HA THR A 53 -9.713 -4.523 -11.258 1.00 53.03 H new ATOM 0 HB THR A 53 -7.276 -2.907 -12.096 1.00 12.52 H new ATOM 0 HG1 THR A 53 -8.585 -5.095 -13.456 1.00 2.30 H new ATOM 0 HG21 THR A 53 -6.090 -5.067 -11.910 1.00 22.34 H new ATOM 0 HG22 THR A 53 -6.819 -4.578 -10.362 1.00 22.34 H new ATOM 0 HG23 THR A 53 -7.594 -5.838 -11.352 1.00 22.34 H new ATOM 739 N VAL A 54 -9.296 -3.678 -8.958 1.00 23.11 N ATOM 740 CA VAL A 54 -9.087 -3.224 -7.586 1.00 32.15 C ATOM 741 C VAL A 54 -7.943 -4.001 -6.945 1.00 14.12 C ATOM 742 O VAL A 54 -7.866 -5.223 -7.083 1.00 45.32 O ATOM 743 CB VAL A 54 -10.368 -3.407 -6.734 1.00 14.31 C ATOM 744 CG1 VAL A 54 -10.136 -2.959 -5.289 1.00 0.35 C ATOM 745 CG2 VAL A 54 -11.538 -2.650 -7.361 1.00 74.43 C ATOM 0 H VAL A 54 -9.749 -4.589 -9.030 1.00 23.11 H new ATOM 0 HA VAL A 54 -8.839 -2.163 -7.621 1.00 32.15 H new ATOM 0 HB VAL A 54 -10.617 -4.468 -6.715 1.00 14.31 H new ATOM 0 HG11 VAL A 54 -11.051 -3.098 -4.713 1.00 0.35 H new ATOM 0 HG12 VAL A 54 -9.336 -3.553 -4.848 1.00 0.35 H new ATOM 0 HG13 VAL A 54 -9.856 -1.906 -5.275 1.00 0.35 H new ATOM 0 HG21 VAL A 54 -12.430 -2.789 -6.750 1.00 74.43 H new ATOM 0 HG22 VAL A 54 -11.297 -1.588 -7.415 1.00 74.43 H new ATOM 0 HG23 VAL A 54 -11.722 -3.032 -8.365 1.00 74.43 H new ATOM 755 N ALA A 55 -7.052 -3.300 -6.251 1.00 52.43 N ATOM 756 CA ALA A 55 -5.907 -3.946 -5.603 1.00 41.11 C ATOM 757 C ALA A 55 -6.183 -4.176 -4.115 1.00 62.14 C ATOM 758 O ALA A 55 -6.497 -3.237 -3.389 1.00 23.53 O ATOM 759 CB ALA A 55 -4.653 -3.093 -5.778 1.00 34.11 C ATOM 0 H ALA A 55 -7.097 -2.289 -6.121 1.00 52.43 H new ATOM 0 HA ALA A 55 -5.747 -4.915 -6.077 1.00 41.11 H new ATOM 0 HB1 ALA A 55 -3.809 -3.583 -5.293 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -4.440 -2.972 -6.840 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -4.813 -2.114 -5.326 1.00 34.11 H new ATOM 765 N LEU A 56 -6.063 -5.423 -3.666 1.00 22.14 N ATOM 766 CA LEU A 56 -6.286 -5.774 -2.262 1.00 23.21 C ATOM 767 C LEU A 56 -4.951 -5.913 -1.536 1.00 0.10 C ATOM 768 O LEU A 56 -4.109 -6.724 -1.929 1.00 33.13 O ATOM 769 CB LEU A 56 -7.054 -7.100 -2.147 1.00 11.13 C ATOM 770 CG LEU A 56 -8.298 -7.230 -3.033 1.00 30.31 C ATOM 771 CD1 LEU A 56 -9.009 -8.553 -2.760 1.00 53.01 C ATOM 772 CD2 LEU A 56 -9.247 -6.047 -2.830 1.00 43.30 C ATOM 0 H LEU A 56 -5.811 -6.214 -4.258 1.00 22.14 H new ATOM 0 HA LEU A 56 -6.874 -4.977 -1.807 1.00 23.21 H new ATOM 0 HB2 LEU A 56 -6.372 -7.915 -2.389 1.00 11.13 H new ATOM 0 HB3 LEU A 56 -7.355 -7.234 -1.108 1.00 11.13 H new ATOM 0 HG LEU A 56 -7.977 -7.220 -4.075 1.00 30.31 H new ATOM 0 HD11 LEU A 56 -9.890 -8.631 -3.397 1.00 53.01 H new ATOM 0 HD12 LEU A 56 -8.333 -9.381 -2.974 1.00 53.01 H new ATOM 0 HD13 LEU A 56 -9.312 -8.594 -1.714 1.00 53.01 H new ATOM 0 HD21 LEU A 56 -10.120 -6.167 -3.471 1.00 43.30 H new ATOM 0 HD22 LEU A 56 -9.565 -6.010 -1.788 1.00 43.30 H new ATOM 0 HD23 LEU A 56 -8.733 -5.120 -3.086 1.00 43.30 H new ATOM 784 N ILE A 57 -4.758 -5.127 -0.484 1.00 11.30 N ATOM 785 CA ILE A 57 -3.519 -5.157 0.284 1.00 24.32 C ATOM 786 C ILE A 57 -3.817 -5.378 1.767 1.00 64.30 C ATOM 787 O ILE A 57 -4.426 -4.522 2.424 1.00 10.45 O ATOM 788 CB ILE A 57 -2.710 -3.840 0.117 1.00 24.23 C ATOM 789 CG1 ILE A 57 -2.537 -3.478 -1.371 1.00 30.21 C ATOM 790 CG2 ILE A 57 -1.345 -3.963 0.797 1.00 24.02 C ATOM 791 CD1 ILE A 57 -1.734 -4.490 -2.166 1.00 15.33 C ATOM 0 H ILE A 57 -5.447 -4.458 -0.142 1.00 11.30 H new ATOM 0 HA ILE A 57 -2.920 -5.983 -0.100 1.00 24.32 H new ATOM 0 HB ILE A 57 -3.271 -3.038 0.596 1.00 24.23 H new ATOM 0 HG12 ILE A 57 -3.522 -3.374 -1.825 1.00 30.21 H new ATOM 0 HG13 ILE A 57 -2.049 -2.506 -1.443 1.00 30.21 H new ATOM 0 HG21 ILE A 57 -0.791 -3.033 0.671 1.00 24.02 H new ATOM 0 HG22 ILE A 57 -1.484 -4.161 1.860 1.00 24.02 H new ATOM 0 HG23 ILE A 57 -0.786 -4.782 0.345 1.00 24.02 H new ATOM 0 HD11 ILE A 57 -1.659 -4.161 -3.203 1.00 15.33 H new ATOM 0 HD12 ILE A 57 -0.735 -4.578 -1.739 1.00 15.33 H new ATOM 0 HD13 ILE A 57 -2.231 -5.459 -2.128 1.00 15.33 H new ATOM 803 N ASP A 58 -3.416 -6.535 2.284 1.00 5.00 N ATOM 804 CA ASP A 58 -3.517 -6.818 3.711 1.00 1.51 C ATOM 805 C ASP A 58 -2.351 -6.157 4.446 1.00 1.23 C ATOM 806 O ASP A 58 -1.186 -6.423 4.145 1.00 73.20 O ATOM 807 CB ASP A 58 -3.514 -8.335 3.970 1.00 23.51 C ATOM 808 CG ASP A 58 -4.818 -9.020 3.582 1.00 35.15 C ATOM 809 OD1 ASP A 58 -5.128 -9.102 2.374 1.00 14.25 O ATOM 810 OD2 ASP A 58 -5.537 -9.502 4.490 1.00 50.20 O ATOM 0 H ASP A 58 -3.016 -7.295 1.733 1.00 5.00 H new ATOM 0 HA ASP A 58 -4.458 -6.413 4.083 1.00 1.51 H new ATOM 0 HB2 ASP A 58 -2.694 -8.789 3.413 1.00 23.51 H new ATOM 0 HB3 ASP A 58 -3.319 -8.515 5.027 1.00 23.51 H new ATOM 815 N MET A 59 -2.664 -5.288 5.400 1.00 70.13 N ATOM 816 CA MET A 59 -1.648 -4.546 6.149 1.00 30.54 C ATOM 817 C MET A 59 -1.987 -4.522 7.635 1.00 61.14 C ATOM 818 O MET A 59 -3.060 -4.962 8.041 1.00 3.14 O ATOM 819 CB MET A 59 -1.517 -3.105 5.629 1.00 44.30 C ATOM 820 CG MET A 59 -0.982 -2.999 4.207 1.00 23.14 C ATOM 821 SD MET A 59 -0.764 -1.290 3.665 1.00 10.13 S ATOM 822 CE MET A 59 0.433 -0.698 4.858 1.00 52.02 C ATOM 0 H MET A 59 -3.622 -5.076 5.678 1.00 70.13 H new ATOM 0 HA MET A 59 -0.696 -5.057 6.006 1.00 30.54 H new ATOM 0 HB2 MET A 59 -2.494 -2.625 5.674 1.00 44.30 H new ATOM 0 HB3 MET A 59 -0.858 -2.549 6.295 1.00 44.30 H new ATOM 0 HG2 MET A 59 -0.027 -3.520 4.144 1.00 23.14 H new ATOM 0 HG3 MET A 59 -1.667 -3.506 3.527 1.00 23.14 H new ATOM 0 HE1 MET A 59 0.954 0.169 4.451 1.00 52.02 H new ATOM 0 HE2 MET A 59 -0.079 -0.415 5.778 1.00 52.02 H new ATOM 0 HE3 MET A 59 1.154 -1.487 5.072 1.00 52.02 H new ATOM 832 N THR A 60 -1.051 -4.036 8.442 1.00 1.21 N ATOM 833 CA THR A 60 -1.272 -3.874 9.871 1.00 72.03 C ATOM 834 C THR A 60 -0.393 -2.749 10.413 1.00 12.34 C ATOM 835 O THR A 60 0.568 -2.329 9.760 1.00 24.13 O ATOM 836 CB THR A 60 -0.984 -5.181 10.650 1.00 72.53 C ATOM 837 OG1 THR A 60 -1.389 -5.037 12.017 1.00 61.32 O ATOM 838 CG2 THR A 60 0.496 -5.556 10.596 1.00 20.43 C ATOM 0 H THR A 60 -0.126 -3.746 8.126 1.00 1.21 H new ATOM 0 HA THR A 60 -2.323 -3.622 10.014 1.00 72.03 H new ATOM 0 HB THR A 60 -1.555 -5.979 10.176 1.00 72.53 H new ATOM 0 HG1 THR A 60 -2.207 -5.554 12.172 1.00 61.32 H new ATOM 0 HG21 THR A 60 0.658 -6.478 11.154 1.00 20.43 H new ATOM 0 HG22 THR A 60 0.797 -5.702 9.559 1.00 20.43 H new ATOM 0 HG23 THR A 60 1.090 -4.756 11.037 1.00 20.43 H new ATOM 846 N LEU A 61 -0.735 -2.264 11.601 1.00 73.32 N ATOM 847 CA LEU A 61 0.009 -1.197 12.263 1.00 14.13 C ATOM 848 C LEU A 61 0.266 -1.587 13.715 1.00 24.34 C ATOM 849 O LEU A 61 -0.431 -2.447 14.253 1.00 44.32 O ATOM 850 CB LEU A 61 -0.766 0.131 12.203 1.00 14.42 C ATOM 851 CG LEU A 61 -1.014 0.696 10.792 1.00 65.42 C ATOM 852 CD1 LEU A 61 -1.850 1.975 10.857 1.00 1.21 C ATOM 853 CD2 LEU A 61 0.308 0.954 10.069 1.00 33.15 C ATOM 0 H LEU A 61 -1.537 -2.600 12.134 1.00 73.32 H new ATOM 0 HA LEU A 61 0.959 -1.058 11.747 1.00 14.13 H new ATOM 0 HB2 LEU A 61 -1.730 -0.009 12.693 1.00 14.42 H new ATOM 0 HB3 LEU A 61 -0.220 0.876 12.782 1.00 14.42 H new ATOM 0 HG LEU A 61 -1.573 -0.049 10.225 1.00 65.42 H new ATOM 0 HD11 LEU A 61 -2.012 2.355 9.848 1.00 1.21 H new ATOM 0 HD12 LEU A 61 -2.812 1.758 11.322 1.00 1.21 H new ATOM 0 HD13 LEU A 61 -1.323 2.725 11.447 1.00 1.21 H new ATOM 0 HD21 LEU A 61 0.107 1.353 9.075 1.00 33.15 H new ATOM 0 HD22 LEU A 61 0.898 1.674 10.636 1.00 33.15 H new ATOM 0 HD23 LEU A 61 0.862 0.020 9.980 1.00 33.15 H new ATOM 865 N THR A 62 1.251 -0.942 14.337 1.00 52.42 N ATOM 866 CA THR A 62 1.665 -1.262 15.702 1.00 1.25 C ATOM 867 C THR A 62 0.469 -1.368 16.659 1.00 63.01 C ATOM 868 O THR A 62 0.294 -2.384 17.332 1.00 51.14 O ATOM 869 CB THR A 62 2.656 -0.198 16.223 1.00 41.30 C ATOM 870 OG1 THR A 62 3.645 0.066 15.217 1.00 54.12 O ATOM 871 CG2 THR A 62 3.340 -0.661 17.505 1.00 61.54 C ATOM 0 H THR A 62 1.784 -0.184 13.910 1.00 52.42 H new ATOM 0 HA THR A 62 2.153 -2.236 15.671 1.00 1.25 H new ATOM 0 HB THR A 62 2.098 0.712 16.445 1.00 41.30 H new ATOM 0 HG1 THR A 62 4.273 0.742 15.546 1.00 54.12 H new ATOM 0 HG21 THR A 62 4.031 0.109 17.847 1.00 61.54 H new ATOM 0 HG22 THR A 62 2.588 -0.841 18.274 1.00 61.54 H new ATOM 0 HG23 THR A 62 3.890 -1.582 17.312 1.00 61.54 H new ATOM 879 N SER A 63 -0.351 -0.321 16.712 1.00 43.23 N ATOM 880 CA SER A 63 -1.540 -0.318 17.566 1.00 23.10 C ATOM 881 C SER A 63 -2.817 -0.341 16.719 1.00 34.22 C ATOM 882 O SER A 63 -3.919 -0.513 17.244 1.00 33.24 O ATOM 883 CB SER A 63 -1.530 0.916 18.484 1.00 23.42 C ATOM 884 OG SER A 63 -2.592 0.875 19.423 1.00 50.50 O ATOM 0 H SER A 63 -0.216 0.536 16.175 1.00 43.23 H new ATOM 0 HA SER A 63 -1.523 -1.216 18.183 1.00 23.10 H new ATOM 0 HB2 SER A 63 -0.578 0.970 19.012 1.00 23.42 H new ATOM 0 HB3 SER A 63 -1.611 1.820 17.881 1.00 23.42 H new ATOM 0 HG SER A 63 -3.357 0.403 19.032 1.00 50.50 H new ATOM 890 N ALA A 64 -2.649 -0.157 15.406 1.00 1.04 N ATOM 891 CA ALA A 64 -3.769 -0.130 14.453 1.00 74.54 C ATOM 892 C ALA A 64 -4.723 1.043 14.713 1.00 23.22 C ATOM 893 O ALA A 64 -5.784 1.140 14.095 1.00 35.31 O ATOM 894 CB ALA A 64 -4.522 -1.454 14.470 1.00 64.45 C ATOM 0 H ALA A 64 -1.736 -0.023 14.972 1.00 1.04 H new ATOM 0 HA ALA A 64 -3.344 0.017 13.460 1.00 74.54 H new ATOM 0 HB1 ALA A 64 -5.346 -1.413 13.758 1.00 64.45 H new ATOM 0 HB2 ALA A 64 -3.844 -2.262 14.194 1.00 64.45 H new ATOM 0 HB3 ALA A 64 -4.915 -1.636 15.470 1.00 64.45 H new ATOM 900 N ALA A 65 -4.330 1.938 15.609 1.00 4.24 N ATOM 901 CA ALA A 65 -5.081 3.164 15.874 1.00 31.21 C ATOM 902 C ALA A 65 -4.199 4.364 15.564 1.00 35.13 C ATOM 903 O ALA A 65 -4.532 5.508 15.877 1.00 34.43 O ATOM 904 CB ALA A 65 -5.558 3.195 17.323 1.00 73.12 C ATOM 0 H ALA A 65 -3.485 1.838 16.172 1.00 4.24 H new ATOM 0 HA ALA A 65 -5.964 3.197 15.236 1.00 31.21 H new ATOM 0 HB1 ALA A 65 -6.115 4.114 17.503 1.00 73.12 H new ATOM 0 HB2 ALA A 65 -6.203 2.337 17.512 1.00 73.12 H new ATOM 0 HB3 ALA A 65 -4.697 3.156 17.990 1.00 73.12 H new ATOM 910 N CYS A 66 -3.067 4.077 14.933 1.00 34.42 N ATOM 911 CA CYS A 66 -2.077 5.086 14.604 1.00 31.11 C ATOM 912 C CYS A 66 -2.545 5.922 13.411 1.00 35.12 C ATOM 913 O CYS A 66 -3.094 5.377 12.451 1.00 53.32 O ATOM 914 CB CYS A 66 -0.746 4.395 14.286 1.00 43.45 C ATOM 915 SG CYS A 66 -0.247 3.181 15.533 1.00 20.40 S ATOM 0 H CYS A 66 -2.812 3.135 14.636 1.00 34.42 H new ATOM 0 HA CYS A 66 -1.943 5.756 15.453 1.00 31.11 H new ATOM 0 HB2 CYS A 66 -0.825 3.899 13.319 1.00 43.45 H new ATOM 0 HB3 CYS A 66 0.034 5.151 14.194 1.00 43.45 H new ATOM 0 HG CYS A 66 0.885 2.643 15.187 1.00 20.40 H new ATOM 921 N PRO A 67 -2.306 7.249 13.438 1.00 54.35 N ATOM 922 CA PRO A 67 -2.737 8.161 12.361 1.00 2.45 C ATOM 923 C PRO A 67 -1.935 7.974 11.067 1.00 44.23 C ATOM 924 O PRO A 67 -1.972 8.820 10.175 1.00 41.55 O ATOM 925 CB PRO A 67 -2.488 9.554 12.961 1.00 52.04 C ATOM 926 CG PRO A 67 -1.382 9.345 13.939 1.00 70.13 C ATOM 927 CD PRO A 67 -1.601 7.971 14.519 1.00 61.34 C ATOM 0 HA PRO A 67 -3.772 7.985 12.068 1.00 2.45 H new ATOM 0 HB2 PRO A 67 -2.207 10.273 12.192 1.00 52.04 H new ATOM 0 HB3 PRO A 67 -3.382 9.942 13.449 1.00 52.04 H new ATOM 0 HG2 PRO A 67 -0.410 9.413 13.450 1.00 70.13 H new ATOM 0 HG3 PRO A 67 -1.401 10.106 14.719 1.00 70.13 H new ATOM 0 HD2 PRO A 67 -0.658 7.488 14.775 1.00 61.34 H new ATOM 0 HD3 PRO A 67 -2.197 8.010 15.431 1.00 61.34 H new ATOM 935 N LEU A 68 -1.217 6.856 10.972 1.00 43.20 N ATOM 936 CA LEU A 68 -0.427 6.531 9.789 1.00 54.22 C ATOM 937 C LEU A 68 -1.286 5.801 8.757 1.00 44.24 C ATOM 938 O LEU A 68 -0.835 5.532 7.648 1.00 44.21 O ATOM 939 CB LEU A 68 0.791 5.660 10.161 1.00 44.31 C ATOM 940 CG LEU A 68 1.910 6.368 10.950 1.00 45.35 C ATOM 941 CD1 LEU A 68 1.437 6.798 12.338 1.00 22.31 C ATOM 942 CD2 LEU A 68 3.137 5.465 11.057 1.00 74.21 C ATOM 0 H LEU A 68 -1.167 6.154 11.710 1.00 43.20 H new ATOM 0 HA LEU A 68 -0.069 7.466 9.359 1.00 54.22 H new ATOM 0 HB2 LEU A 68 0.440 4.811 10.748 1.00 44.31 H new ATOM 0 HB3 LEU A 68 1.219 5.257 9.243 1.00 44.31 H new ATOM 0 HG LEU A 68 2.182 7.270 10.403 1.00 45.35 H new ATOM 0 HD11 LEU A 68 2.254 7.293 12.863 1.00 22.31 H new ATOM 0 HD12 LEU A 68 0.598 7.487 12.239 1.00 22.31 H new ATOM 0 HD13 LEU A 68 1.121 5.921 12.903 1.00 22.31 H new ATOM 0 HD21 LEU A 68 3.919 5.978 11.617 1.00 74.21 H new ATOM 0 HD22 LEU A 68 2.867 4.544 11.573 1.00 74.21 H new ATOM 0 HD23 LEU A 68 3.502 5.228 10.058 1.00 74.21 H new ATOM 954 N THR A 69 -2.523 5.483 9.133 1.00 31.24 N ATOM 955 CA THR A 69 -3.432 4.762 8.250 1.00 12.01 C ATOM 956 C THR A 69 -3.714 5.569 6.974 1.00 41.15 C ATOM 957 O THR A 69 -3.506 5.083 5.862 1.00 31.44 O ATOM 958 CB THR A 69 -4.755 4.391 8.975 1.00 44.15 C ATOM 959 OG1 THR A 69 -5.663 3.747 8.072 1.00 3.41 O ATOM 960 CG2 THR A 69 -5.427 5.612 9.600 1.00 63.23 C ATOM 0 H THR A 69 -2.918 5.714 10.045 1.00 31.24 H new ATOM 0 HA THR A 69 -2.942 3.832 7.962 1.00 12.01 H new ATOM 0 HB THR A 69 -4.496 3.702 9.779 1.00 44.15 H new ATOM 0 HG1 THR A 69 -5.403 2.809 7.960 1.00 3.41 H new ATOM 0 HG21 THR A 69 -6.348 5.306 10.096 1.00 63.23 H new ATOM 0 HG22 THR A 69 -4.755 6.064 10.329 1.00 63.23 H new ATOM 0 HG23 THR A 69 -5.658 6.339 8.821 1.00 63.23 H new ATOM 968 N ASP A 70 -4.141 6.818 7.135 1.00 53.42 N ATOM 969 CA ASP A 70 -4.421 7.682 5.990 1.00 14.33 C ATOM 970 C ASP A 70 -3.132 8.011 5.250 1.00 11.42 C ATOM 971 O ASP A 70 -3.140 8.248 4.041 1.00 15.41 O ATOM 972 CB ASP A 70 -5.137 8.966 6.433 1.00 32.41 C ATOM 973 CG ASP A 70 -4.500 9.599 7.657 1.00 33.12 C ATOM 974 OD1 ASP A 70 -3.774 10.609 7.518 1.00 74.41 O ATOM 975 OD2 ASP A 70 -4.725 9.074 8.770 1.00 30.20 O ATOM 0 H ASP A 70 -4.301 7.254 8.043 1.00 53.42 H new ATOM 0 HA ASP A 70 -5.084 7.147 5.310 1.00 14.33 H new ATOM 0 HB2 ASP A 70 -5.129 9.683 5.612 1.00 32.41 H new ATOM 0 HB3 ASP A 70 -6.181 8.739 6.648 1.00 32.41 H new ATOM 980 N VAL A 71 -2.020 8.002 5.980 1.00 4.22 N ATOM 981 CA VAL A 71 -0.715 8.235 5.382 1.00 21.42 C ATOM 982 C VAL A 71 -0.368 7.110 4.407 1.00 55.04 C ATOM 983 O VAL A 71 -0.066 7.367 3.243 1.00 42.12 O ATOM 984 CB VAL A 71 0.395 8.352 6.459 1.00 11.12 C ATOM 985 CG1 VAL A 71 1.764 8.583 5.817 1.00 41.04 C ATOM 986 CG2 VAL A 71 0.064 9.469 7.450 1.00 51.04 C ATOM 0 H VAL A 71 -2.000 7.836 6.986 1.00 4.22 H new ATOM 0 HA VAL A 71 -0.767 9.181 4.843 1.00 21.42 H new ATOM 0 HB VAL A 71 0.438 7.409 7.004 1.00 11.12 H new ATOM 0 HG11 VAL A 71 2.523 8.661 6.596 1.00 41.04 H new ATOM 0 HG12 VAL A 71 2.003 7.747 5.160 1.00 41.04 H new ATOM 0 HG13 VAL A 71 1.743 9.506 5.237 1.00 41.04 H new ATOM 0 HG21 VAL A 71 0.853 9.537 8.199 1.00 51.04 H new ATOM 0 HG22 VAL A 71 -0.014 10.417 6.917 1.00 51.04 H new ATOM 0 HG23 VAL A 71 -0.884 9.250 7.941 1.00 51.04 H new ATOM 996 N ILE A 72 -0.456 5.859 4.871 1.00 25.12 N ATOM 997 CA ILE A 72 -0.106 4.714 4.031 1.00 13.42 C ATOM 998 C ILE A 72 -1.120 4.541 2.902 1.00 41.30 C ATOM 999 O ILE A 72 -0.779 4.057 1.819 1.00 15.42 O ATOM 1000 CB ILE A 72 0.056 3.393 4.850 1.00 23.03 C ATOM 1001 CG1 ILE A 72 -1.223 3.021 5.637 1.00 64.33 C ATOM 1002 CG2 ILE A 72 1.254 3.509 5.796 1.00 11.42 C ATOM 1003 CD1 ILE A 72 -2.271 2.264 4.837 1.00 43.04 C ATOM 0 H ILE A 72 -0.763 5.617 5.813 1.00 25.12 H new ATOM 0 HA ILE A 72 0.869 4.928 3.593 1.00 13.42 H new ATOM 0 HB ILE A 72 0.231 2.587 4.137 1.00 23.03 H new ATOM 0 HG12 ILE A 72 -0.939 2.417 6.499 1.00 64.33 H new ATOM 0 HG13 ILE A 72 -1.673 3.936 6.023 1.00 64.33 H new ATOM 0 HG21 ILE A 72 1.360 2.584 6.363 1.00 11.42 H new ATOM 0 HG22 ILE A 72 2.160 3.685 5.216 1.00 11.42 H new ATOM 0 HG23 ILE A 72 1.096 4.340 6.483 1.00 11.42 H new ATOM 0 HD11 ILE A 72 -3.129 2.048 5.474 1.00 43.04 H new ATOM 0 HD12 ILE A 72 -2.591 2.871 3.990 1.00 43.04 H new ATOM 0 HD13 ILE A 72 -1.845 1.329 4.473 1.00 43.04 H new ATOM 1015 N GLU A 73 -2.368 4.948 3.156 1.00 13.43 N ATOM 1016 CA GLU A 73 -3.388 4.966 2.110 1.00 61.12 C ATOM 1017 C GLU A 73 -2.984 5.931 0.999 1.00 75.31 C ATOM 1018 O GLU A 73 -3.018 5.577 -0.177 1.00 23.44 O ATOM 1019 CB GLU A 73 -4.764 5.355 2.676 1.00 3.13 C ATOM 1020 CG GLU A 73 -5.404 4.272 3.536 1.00 75.15 C ATOM 1021 CD GLU A 73 -6.794 4.662 4.035 1.00 51.35 C ATOM 1022 OE1 GLU A 73 -7.793 4.315 3.369 1.00 32.12 O ATOM 1023 OE2 GLU A 73 -6.888 5.340 5.088 1.00 71.44 O ATOM 0 H GLU A 73 -2.691 5.266 4.070 1.00 13.43 H new ATOM 0 HA GLU A 73 -3.467 3.959 1.700 1.00 61.12 H new ATOM 0 HB2 GLU A 73 -4.659 6.263 3.270 1.00 3.13 H new ATOM 0 HB3 GLU A 73 -5.433 5.592 1.849 1.00 3.13 H new ATOM 0 HG2 GLU A 73 -5.475 3.350 2.959 1.00 75.15 H new ATOM 0 HG3 GLU A 73 -4.760 4.065 4.391 1.00 75.15 H new ATOM 1030 N ASP A 74 -2.577 7.144 1.385 1.00 64.45 N ATOM 1031 CA ASP A 74 -2.149 8.159 0.419 1.00 74.44 C ATOM 1032 C ASP A 74 -0.927 7.674 -0.357 1.00 1.32 C ATOM 1033 O ASP A 74 -0.883 7.756 -1.589 1.00 24.25 O ATOM 1034 CB ASP A 74 -1.838 9.488 1.125 1.00 35.15 C ATOM 1035 CG ASP A 74 -1.389 10.575 0.153 1.00 1.10 C ATOM 1036 OD1 ASP A 74 -0.195 10.937 0.161 1.00 13.24 O ATOM 1037 OD2 ASP A 74 -2.232 11.072 -0.627 1.00 62.12 O ATOM 0 H ASP A 74 -2.535 7.446 2.358 1.00 64.45 H new ATOM 0 HA ASP A 74 -2.966 8.326 -0.283 1.00 74.44 H new ATOM 0 HB2 ASP A 74 -2.725 9.828 1.660 1.00 35.15 H new ATOM 0 HB3 ASP A 74 -1.059 9.326 1.870 1.00 35.15 H new ATOM 1042 N GLN A 75 0.047 7.141 0.376 1.00 12.23 N ATOM 1043 CA GLN A 75 1.281 6.625 -0.216 1.00 44.03 C ATOM 1044 C GLN A 75 0.982 5.572 -1.285 1.00 0.21 C ATOM 1045 O GLN A 75 1.432 5.679 -2.427 1.00 52.43 O ATOM 1046 CB GLN A 75 2.177 6.022 0.876 1.00 5.35 C ATOM 1047 CG GLN A 75 2.627 7.024 1.937 1.00 32.00 C ATOM 1048 CD GLN A 75 3.354 6.368 3.100 1.00 53.42 C ATOM 1049 OE1 GLN A 75 3.095 5.214 3.442 1.00 20.33 O ATOM 1050 NE2 GLN A 75 4.262 7.101 3.726 1.00 0.25 N ATOM 0 H GLN A 75 0.005 7.054 1.391 1.00 12.23 H new ATOM 0 HA GLN A 75 1.801 7.456 -0.692 1.00 44.03 H new ATOM 0 HB2 GLN A 75 1.639 5.209 1.364 1.00 5.35 H new ATOM 0 HB3 GLN A 75 3.059 5.585 0.407 1.00 5.35 H new ATOM 0 HG2 GLN A 75 3.282 7.764 1.476 1.00 32.00 H new ATOM 0 HG3 GLN A 75 1.757 7.560 2.315 1.00 32.00 H new ATOM 0 HE21 GLN A 75 4.451 8.054 3.415 1.00 0.25 H new ATOM 0 HE22 GLN A 75 4.773 6.713 4.519 1.00 0.25 H new ATOM 1059 N SER A 76 0.203 4.565 -0.909 1.00 0.11 N ATOM 1060 CA SER A 76 -0.116 3.463 -1.806 1.00 75.34 C ATOM 1061 C SER A 76 -1.006 3.933 -2.965 1.00 24.44 C ATOM 1062 O SER A 76 -0.671 3.718 -4.138 1.00 62.34 O ATOM 1063 CB SER A 76 -0.791 2.328 -1.023 1.00 21.33 C ATOM 1064 OG SER A 76 -1.035 1.200 -1.845 1.00 54.51 O ATOM 0 H SER A 76 -0.221 4.490 0.016 1.00 0.11 H new ATOM 0 HA SER A 76 0.812 3.088 -2.236 1.00 75.34 H new ATOM 0 HB2 SER A 76 -0.158 2.038 -0.184 1.00 21.33 H new ATOM 0 HB3 SER A 76 -1.732 2.684 -0.604 1.00 21.33 H new ATOM 0 HG SER A 76 -1.464 0.496 -1.315 1.00 54.51 H new ATOM 1070 N ARG A 77 -2.121 4.605 -2.642 1.00 2.44 N ATOM 1071 CA ARG A 77 -3.075 5.041 -3.668 1.00 1.02 C ATOM 1072 C ARG A 77 -2.371 5.878 -4.739 1.00 41.10 C ATOM 1073 O ARG A 77 -2.544 5.633 -5.933 1.00 5.31 O ATOM 1074 CB ARG A 77 -4.242 5.849 -3.052 1.00 34.33 C ATOM 1075 CG ARG A 77 -3.850 7.245 -2.568 1.00 31.13 C ATOM 1076 CD ARG A 77 -5.020 8.011 -1.963 1.00 34.42 C ATOM 1077 NE ARG A 77 -4.623 9.366 -1.563 1.00 63.44 N ATOM 1078 CZ ARG A 77 -5.404 10.232 -0.911 1.00 62.33 C ATOM 1079 NH1 ARG A 77 -6.629 9.890 -0.537 1.00 33.33 N ATOM 1080 NH2 ARG A 77 -4.942 11.438 -0.614 1.00 1.50 N ATOM 0 H ARG A 77 -2.381 4.856 -1.688 1.00 2.44 H new ATOM 0 HA ARG A 77 -3.488 4.144 -4.130 1.00 1.02 H new ATOM 0 HB2 ARG A 77 -5.035 5.943 -3.794 1.00 34.33 H new ATOM 0 HB3 ARG A 77 -4.655 5.288 -2.213 1.00 34.33 H new ATOM 0 HG2 ARG A 77 -3.056 7.158 -1.826 1.00 31.13 H new ATOM 0 HG3 ARG A 77 -3.443 7.813 -3.404 1.00 31.13 H new ATOM 0 HD2 ARG A 77 -5.833 8.067 -2.687 1.00 34.42 H new ATOM 0 HD3 ARG A 77 -5.401 7.471 -1.096 1.00 34.42 H new ATOM 0 HE ARG A 77 -3.679 9.670 -1.801 1.00 63.44 H new ATOM 0 HH11 ARG A 77 -6.984 8.957 -0.746 1.00 33.33 H new ATOM 0 HH12 ARG A 77 -7.216 10.560 -0.040 1.00 33.33 H new ATOM 0 HH21 ARG A 77 -3.994 11.702 -0.883 1.00 1.50 H new ATOM 0 HH22 ARG A 77 -5.534 12.103 -0.116 1.00 1.50 H new ATOM 1094 N SER A 78 -1.544 6.828 -4.299 1.00 53.23 N ATOM 1095 CA SER A 78 -0.907 7.780 -5.202 1.00 50.14 C ATOM 1096 C SER A 78 -0.030 7.071 -6.232 1.00 62.12 C ATOM 1097 O SER A 78 -0.083 7.384 -7.422 1.00 51.42 O ATOM 1098 CB SER A 78 -0.074 8.793 -4.407 1.00 32.40 C ATOM 1099 OG SER A 78 0.949 8.150 -3.667 1.00 13.41 O ATOM 0 H SER A 78 -1.301 6.956 -3.317 1.00 53.23 H new ATOM 0 HA SER A 78 -1.695 8.308 -5.738 1.00 50.14 H new ATOM 0 HB2 SER A 78 0.369 9.518 -5.090 1.00 32.40 H new ATOM 0 HB3 SER A 78 -0.722 9.348 -3.729 1.00 32.40 H new ATOM 0 HG SER A 78 0.583 7.822 -2.820 1.00 13.41 H new ATOM 1105 N ALA A 79 0.766 6.108 -5.778 1.00 33.40 N ATOM 1106 CA ALA A 79 1.678 5.412 -6.672 1.00 11.21 C ATOM 1107 C ALA A 79 0.915 4.474 -7.604 1.00 23.43 C ATOM 1108 O ALA A 79 1.012 4.592 -8.830 1.00 11.11 O ATOM 1109 CB ALA A 79 2.716 4.634 -5.869 1.00 0.30 C ATOM 0 H ALA A 79 0.797 5.796 -4.807 1.00 33.40 H new ATOM 0 HA ALA A 79 2.192 6.155 -7.282 1.00 11.21 H new ATOM 0 HB1 ALA A 79 3.392 4.118 -6.551 1.00 0.30 H new ATOM 0 HB2 ALA A 79 3.286 5.324 -5.246 1.00 0.30 H new ATOM 0 HB3 ALA A 79 2.213 3.904 -5.235 1.00 0.30 H new ATOM 1115 N LEU A 80 0.066 3.625 -7.029 1.00 11.13 N ATOM 1116 CA LEU A 80 -0.632 2.603 -7.812 1.00 61.11 C ATOM 1117 C LEU A 80 -1.552 3.244 -8.853 1.00 74.43 C ATOM 1118 O LEU A 80 -1.791 2.675 -9.926 1.00 72.00 O ATOM 1119 CB LEU A 80 -1.413 1.641 -6.897 1.00 23.55 C ATOM 1120 CG LEU A 80 -0.567 0.531 -6.233 1.00 43.55 C ATOM 1121 CD1 LEU A 80 0.525 1.116 -5.337 1.00 54.43 C ATOM 1122 CD2 LEU A 80 -1.455 -0.429 -5.440 1.00 75.51 C ATOM 0 H LEU A 80 -0.155 3.622 -6.033 1.00 11.13 H new ATOM 0 HA LEU A 80 0.118 2.018 -8.344 1.00 61.11 H new ATOM 0 HB2 LEU A 80 -1.898 2.224 -6.114 1.00 23.55 H new ATOM 0 HB3 LEU A 80 -2.204 1.172 -7.481 1.00 23.55 H new ATOM 0 HG LEU A 80 -0.078 -0.028 -7.031 1.00 43.55 H new ATOM 0 HD11 LEU A 80 1.099 0.306 -4.887 1.00 54.43 H new ATOM 0 HD12 LEU A 80 1.188 1.743 -5.933 1.00 54.43 H new ATOM 0 HD13 LEU A 80 0.068 1.716 -4.551 1.00 54.43 H new ATOM 0 HD21 LEU A 80 -0.837 -1.201 -4.982 1.00 75.51 H new ATOM 0 HD22 LEU A 80 -1.983 0.122 -4.662 1.00 75.51 H new ATOM 0 HD23 LEU A 80 -2.178 -0.893 -6.110 1.00 75.51 H new ATOM 1134 N VAL A 81 -2.055 4.435 -8.541 1.00 14.40 N ATOM 1135 CA VAL A 81 -2.845 5.204 -9.497 1.00 23.31 C ATOM 1136 C VAL A 81 -1.921 6.000 -10.414 1.00 44.20 C ATOM 1137 O VAL A 81 -2.266 6.283 -11.563 1.00 4.24 O ATOM 1138 CB VAL A 81 -3.851 6.160 -8.802 1.00 21.13 C ATOM 1139 CG1 VAL A 81 -3.162 7.411 -8.257 1.00 21.33 C ATOM 1140 CG2 VAL A 81 -4.994 6.528 -9.750 1.00 44.04 C ATOM 0 H VAL A 81 -1.930 4.888 -7.636 1.00 14.40 H new ATOM 0 HA VAL A 81 -3.427 4.492 -10.082 1.00 23.31 H new ATOM 0 HB VAL A 81 -4.273 5.629 -7.949 1.00 21.13 H new ATOM 0 HG11 VAL A 81 -3.901 8.054 -7.778 1.00 21.33 H new ATOM 0 HG12 VAL A 81 -2.406 7.121 -7.527 1.00 21.33 H new ATOM 0 HG13 VAL A 81 -2.687 7.951 -9.076 1.00 21.33 H new ATOM 0 HG21 VAL A 81 -5.687 7.199 -9.242 1.00 44.04 H new ATOM 0 HG22 VAL A 81 -4.590 7.025 -10.632 1.00 44.04 H new ATOM 0 HG23 VAL A 81 -5.521 5.623 -10.053 1.00 44.04 H new ATOM 1150 N GLY A 82 -0.731 6.342 -9.907 1.00 3.22 N ATOM 1151 CA GLY A 82 0.193 7.179 -10.653 1.00 24.34 C ATOM 1152 C GLY A 82 0.704 6.474 -11.886 1.00 62.14 C ATOM 1153 O GLY A 82 0.996 7.102 -12.903 1.00 2.45 O ATOM 0 H GLY A 82 -0.394 6.051 -8.989 1.00 3.22 H new ATOM 0 HA2 GLY A 82 -0.305 8.105 -10.942 1.00 24.34 H new ATOM 0 HA3 GLY A 82 1.033 7.454 -10.015 1.00 24.34 H new ATOM 1157 N SER A 83 0.805 5.154 -11.792 1.00 52.45 N ATOM 1158 CA SER A 83 1.198 4.329 -12.928 1.00 23.25 C ATOM 1159 C SER A 83 -0.039 3.844 -13.685 1.00 75.40 C ATOM 1160 O SER A 83 0.066 3.297 -14.786 1.00 65.14 O ATOM 1161 CB SER A 83 2.035 3.139 -12.449 1.00 40.14 C ATOM 1162 OG SER A 83 3.183 3.580 -11.745 1.00 23.13 O ATOM 0 H SER A 83 0.619 4.630 -10.937 1.00 52.45 H new ATOM 0 HA SER A 83 1.803 4.930 -13.607 1.00 23.25 H new ATOM 0 HB2 SER A 83 1.431 2.500 -11.804 1.00 40.14 H new ATOM 0 HB3 SER A 83 2.338 2.534 -13.304 1.00 40.14 H new ATOM 0 HG SER A 83 3.243 3.107 -10.889 1.00 23.13 H new ATOM 1168 N GLY A 84 -1.211 4.063 -13.088 1.00 73.11 N ATOM 1169 CA GLY A 84 -2.463 3.641 -13.693 1.00 10.45 C ATOM 1170 C GLY A 84 -2.585 2.133 -13.767 1.00 25.04 C ATOM 1171 O GLY A 84 -3.020 1.584 -14.781 1.00 54.22 O ATOM 0 H GLY A 84 -1.314 4.530 -12.187 1.00 73.11 H new ATOM 0 HA2 GLY A 84 -3.296 4.043 -13.117 1.00 10.45 H new ATOM 0 HA3 GLY A 84 -2.538 4.059 -14.697 1.00 10.45 H new ATOM 1175 N LEU A 85 -2.208 1.459 -12.684 1.00 20.11 N ATOM 1176 CA LEU A 85 -2.222 0.000 -12.641 1.00 2.23 C ATOM 1177 C LEU A 85 -3.595 -0.519 -12.226 1.00 40.42 C ATOM 1178 O LEU A 85 -4.058 -1.549 -12.722 1.00 12.24 O ATOM 1179 CB LEU A 85 -1.145 -0.514 -11.675 1.00 63.42 C ATOM 1180 CG LEU A 85 0.282 -0.041 -11.992 1.00 60.32 C ATOM 1181 CD1 LEU A 85 1.279 -0.630 -11.001 1.00 73.22 C ATOM 1182 CD2 LEU A 85 0.664 -0.391 -13.430 1.00 74.53 C ATOM 0 H LEU A 85 -1.888 1.901 -11.822 1.00 20.11 H new ATOM 0 HA LEU A 85 -2.005 -0.373 -13.642 1.00 2.23 H new ATOM 0 HB2 LEU A 85 -1.402 -0.197 -10.664 1.00 63.42 H new ATOM 0 HB3 LEU A 85 -1.161 -1.604 -11.681 1.00 63.42 H new ATOM 0 HG LEU A 85 0.311 1.044 -11.893 1.00 60.32 H new ATOM 0 HD11 LEU A 85 2.283 -0.282 -11.244 1.00 73.22 H new ATOM 0 HD12 LEU A 85 1.019 -0.312 -9.991 1.00 73.22 H new ATOM 0 HD13 LEU A 85 1.249 -1.718 -11.058 1.00 73.22 H new ATOM 0 HD21 LEU A 85 1.678 -0.046 -13.631 1.00 74.53 H new ATOM 0 HD22 LEU A 85 0.614 -1.471 -13.567 1.00 74.53 H new ATOM 0 HD23 LEU A 85 -0.027 0.095 -14.119 1.00 74.53 H new ATOM 1194 N VAL A 86 -4.241 0.207 -11.314 1.00 74.41 N ATOM 1195 CA VAL A 86 -5.561 -0.164 -10.804 1.00 33.11 C ATOM 1196 C VAL A 86 -6.440 1.076 -10.662 1.00 4.54 C ATOM 1197 O VAL A 86 -5.933 2.201 -10.646 1.00 52.34 O ATOM 1198 CB VAL A 86 -5.463 -0.885 -9.432 1.00 2.51 C ATOM 1199 CG1 VAL A 86 -4.758 -2.234 -9.575 1.00 43.11 C ATOM 1200 CG2 VAL A 86 -4.754 -0.004 -8.402 1.00 44.32 C ATOM 0 H VAL A 86 -3.866 1.065 -10.909 1.00 74.41 H new ATOM 0 HA VAL A 86 -6.007 -0.852 -11.522 1.00 33.11 H new ATOM 0 HB VAL A 86 -6.476 -1.071 -9.075 1.00 2.51 H new ATOM 0 HG11 VAL A 86 -4.701 -2.720 -8.601 1.00 43.11 H new ATOM 0 HG12 VAL A 86 -5.318 -2.866 -10.264 1.00 43.11 H new ATOM 0 HG13 VAL A 86 -3.751 -2.079 -9.962 1.00 43.11 H new ATOM 0 HG21 VAL A 86 -4.698 -0.531 -7.450 1.00 44.32 H new ATOM 0 HG22 VAL A 86 -3.747 0.224 -8.750 1.00 44.32 H new ATOM 0 HG23 VAL A 86 -5.312 0.923 -8.271 1.00 44.32 H new ATOM 1210 N ASP A 87 -7.755 0.868 -10.561 1.00 15.32 N ATOM 1211 CA ASP A 87 -8.699 1.979 -10.441 1.00 42.44 C ATOM 1212 C ASP A 87 -8.759 2.466 -8.997 1.00 4.20 C ATOM 1213 O ASP A 87 -8.877 3.669 -8.738 1.00 24.23 O ATOM 1214 CB ASP A 87 -10.099 1.568 -10.920 1.00 4.04 C ATOM 1215 CG ASP A 87 -11.062 2.748 -10.972 1.00 21.34 C ATOM 1216 OD1 ASP A 87 -11.945 2.856 -10.097 1.00 3.13 O ATOM 1217 OD2 ASP A 87 -10.932 3.586 -11.893 1.00 1.44 O ATOM 0 H ASP A 87 -8.188 -0.056 -10.560 1.00 15.32 H new ATOM 0 HA ASP A 87 -8.348 2.792 -11.076 1.00 42.44 H new ATOM 0 HB2 ASP A 87 -10.024 1.119 -11.910 1.00 4.04 H new ATOM 0 HB3 ASP A 87 -10.499 0.804 -10.253 1.00 4.04 H new ATOM 1222 N ASP A 88 -8.676 1.522 -8.060 1.00 21.15 N ATOM 1223 CA ASP A 88 -8.628 1.846 -6.635 1.00 5.11 C ATOM 1224 C ASP A 88 -7.972 0.714 -5.845 1.00 53.43 C ATOM 1225 O ASP A 88 -7.751 -0.396 -6.363 1.00 41.03 O ATOM 1226 CB ASP A 88 -10.032 2.144 -6.068 1.00 15.15 C ATOM 1227 CG ASP A 88 -10.939 0.922 -6.007 1.00 11.32 C ATOM 1228 OD1 ASP A 88 -11.755 0.730 -6.935 1.00 5.41 O ATOM 1229 OD2 ASP A 88 -10.862 0.165 -5.018 1.00 44.10 O ATOM 0 H ASP A 88 -8.641 0.523 -8.264 1.00 21.15 H new ATOM 0 HA ASP A 88 -8.026 2.748 -6.529 1.00 5.11 H new ATOM 0 HB2 ASP A 88 -9.929 2.559 -5.066 1.00 15.15 H new ATOM 0 HB3 ASP A 88 -10.508 2.908 -6.682 1.00 15.15 H new ATOM 1234 N ILE A 89 -7.652 1.006 -4.589 1.00 73.41 N ATOM 1235 CA ILE A 89 -6.999 0.047 -3.711 1.00 50.23 C ATOM 1236 C ILE A 89 -7.808 -0.151 -2.432 1.00 53.32 C ATOM 1237 O ILE A 89 -8.299 0.811 -1.832 1.00 43.14 O ATOM 1238 CB ILE A 89 -5.566 0.502 -3.322 1.00 54.45 C ATOM 1239 CG1 ILE A 89 -5.612 1.817 -2.522 1.00 72.43 C ATOM 1240 CG2 ILE A 89 -4.700 0.665 -4.571 1.00 22.32 C ATOM 1241 CD1 ILE A 89 -4.300 2.174 -1.862 1.00 32.21 C ATOM 0 H ILE A 89 -7.838 1.910 -4.154 1.00 73.41 H new ATOM 0 HA ILE A 89 -6.935 -0.890 -4.264 1.00 50.23 H new ATOM 0 HB ILE A 89 -5.121 -0.267 -2.691 1.00 54.45 H new ATOM 0 HG12 ILE A 89 -5.905 2.628 -3.189 1.00 72.43 H new ATOM 0 HG13 ILE A 89 -6.384 1.739 -1.757 1.00 72.43 H new ATOM 0 HG21 ILE A 89 -3.699 0.984 -4.281 1.00 22.32 H new ATOM 0 HG22 ILE A 89 -4.639 -0.287 -5.098 1.00 22.32 H new ATOM 0 HG23 ILE A 89 -5.144 1.414 -5.226 1.00 22.32 H new ATOM 0 HD11 ILE A 89 -4.410 3.112 -1.317 1.00 32.21 H new ATOM 0 HD12 ILE A 89 -4.014 1.383 -1.169 1.00 32.21 H new ATOM 0 HD13 ILE A 89 -3.528 2.285 -2.623 1.00 32.21 H new ATOM 1253 N ARG A 90 -7.965 -1.398 -2.023 1.00 1.11 N ATOM 1254 CA ARG A 90 -8.549 -1.708 -0.733 1.00 15.14 C ATOM 1255 C ARG A 90 -7.464 -2.238 0.196 1.00 14.23 C ATOM 1256 O ARG A 90 -6.991 -3.363 0.038 1.00 41.33 O ATOM 1257 CB ARG A 90 -9.694 -2.734 -0.871 1.00 52.53 C ATOM 1258 CG ARG A 90 -11.083 -2.200 -0.504 1.00 43.12 C ATOM 1259 CD ARG A 90 -11.644 -1.229 -1.546 1.00 43.04 C ATOM 1260 NE ARG A 90 -10.909 0.037 -1.600 1.00 43.52 N ATOM 1261 CZ ARG A 90 -11.388 1.167 -2.122 1.00 54.43 C ATOM 1262 NH1 ARG A 90 -12.604 1.201 -2.646 1.00 51.41 N ATOM 1263 NH2 ARG A 90 -10.634 2.258 -2.135 1.00 13.32 N ATOM 0 H ARG A 90 -7.694 -2.215 -2.570 1.00 1.11 H new ATOM 0 HA ARG A 90 -8.975 -0.797 -0.312 1.00 15.14 H new ATOM 0 HB2 ARG A 90 -9.719 -3.094 -1.900 1.00 52.53 H new ATOM 0 HB3 ARG A 90 -9.472 -3.593 -0.238 1.00 52.53 H new ATOM 0 HG2 ARG A 90 -11.770 -3.038 -0.389 1.00 43.12 H new ATOM 0 HG3 ARG A 90 -11.030 -1.697 0.462 1.00 43.12 H new ATOM 0 HD2 ARG A 90 -11.616 -1.702 -2.528 1.00 43.04 H new ATOM 0 HD3 ARG A 90 -12.691 -1.026 -1.320 1.00 43.04 H new ATOM 0 HE ARG A 90 -9.966 0.056 -1.212 1.00 43.52 H new ATOM 0 HH11 ARG A 90 -13.180 0.360 -2.652 1.00 51.41 H new ATOM 0 HH12 ARG A 90 -12.964 2.069 -3.043 1.00 51.41 H new ATOM 0 HH21 ARG A 90 -9.691 2.231 -1.747 1.00 13.32 H new ATOM 0 HH22 ARG A 90 -10.997 3.124 -2.533 1.00 13.32 H new ATOM 1277 N ILE A 91 -7.063 -1.406 1.147 1.00 50.53 N ATOM 1278 CA ILE A 91 -6.103 -1.799 2.166 1.00 14.22 C ATOM 1279 C ILE A 91 -6.855 -2.157 3.433 1.00 35.02 C ATOM 1280 O ILE A 91 -7.585 -1.328 3.974 1.00 30.40 O ATOM 1281 CB ILE A 91 -5.092 -0.664 2.474 1.00 14.54 C ATOM 1282 CG1 ILE A 91 -4.286 -0.309 1.213 1.00 74.43 C ATOM 1283 CG2 ILE A 91 -4.163 -1.067 3.622 1.00 51.42 C ATOM 1284 CD1 ILE A 91 -3.269 0.797 1.422 1.00 32.10 C ATOM 0 H ILE A 91 -7.393 -0.445 1.233 1.00 50.53 H new ATOM 0 HA ILE A 91 -5.540 -2.655 1.794 1.00 14.22 H new ATOM 0 HB ILE A 91 -5.647 0.221 2.785 1.00 14.54 H new ATOM 0 HG12 ILE A 91 -3.769 -1.202 0.861 1.00 74.43 H new ATOM 0 HG13 ILE A 91 -4.977 -0.009 0.425 1.00 74.43 H new ATOM 0 HG21 ILE A 91 -3.461 -0.258 3.823 1.00 51.42 H new ATOM 0 HG22 ILE A 91 -4.754 -1.265 4.516 1.00 51.42 H new ATOM 0 HG23 ILE A 91 -3.611 -1.965 3.345 1.00 51.42 H new ATOM 0 HD11 ILE A 91 -2.742 0.988 0.487 1.00 32.10 H new ATOM 0 HD12 ILE A 91 -3.780 1.705 1.743 1.00 32.10 H new ATOM 0 HD13 ILE A 91 -2.553 0.494 2.186 1.00 32.10 H new ATOM 1296 N ASN A 92 -6.703 -3.391 3.886 1.00 5.53 N ATOM 1297 CA ASN A 92 -7.392 -3.838 5.089 1.00 41.30 C ATOM 1298 C ASN A 92 -6.384 -4.072 6.206 1.00 2.42 C ATOM 1299 O ASN A 92 -5.363 -4.734 6.006 1.00 34.14 O ATOM 1300 CB ASN A 92 -8.230 -5.095 4.809 1.00 73.13 C ATOM 1301 CG ASN A 92 -7.411 -6.307 4.409 1.00 4.31 C ATOM 1302 OD1 ASN A 92 -7.130 -6.517 3.227 1.00 11.22 O ATOM 1303 ND2 ASN A 92 -7.059 -7.130 5.382 1.00 3.31 N ATOM 0 H ASN A 92 -6.114 -4.097 3.444 1.00 5.53 H new ATOM 0 HA ASN A 92 -8.083 -3.059 5.411 1.00 41.30 H new ATOM 0 HB2 ASN A 92 -8.809 -5.339 5.700 1.00 73.13 H new ATOM 0 HB3 ASN A 92 -8.944 -4.874 4.015 1.00 73.13 H new ATOM 0 HD21 ASN A 92 -6.534 -7.978 5.168 1.00 3.31 H new ATOM 0 HD22 ASN A 92 -7.313 -6.917 6.347 1.00 3.31 H new ATOM 1310 N TRP A 93 -6.661 -3.500 7.372 1.00 13.32 N ATOM 1311 CA TRP A 93 -5.717 -3.524 8.483 1.00 65.40 C ATOM 1312 C TRP A 93 -6.109 -4.597 9.496 1.00 3.21 C ATOM 1313 O TRP A 93 -7.060 -4.424 10.264 1.00 62.03 O ATOM 1314 CB TRP A 93 -5.671 -2.142 9.154 1.00 35.32 C ATOM 1315 CG TRP A 93 -5.585 -1.006 8.165 1.00 12.32 C ATOM 1316 CD1 TRP A 93 -4.457 -0.495 7.581 1.00 72.21 C ATOM 1317 CD2 TRP A 93 -6.683 -0.246 7.643 1.00 50.31 C ATOM 1318 NE1 TRP A 93 -4.792 0.535 6.730 1.00 42.44 N ATOM 1319 CE2 TRP A 93 -6.150 0.705 6.754 1.00 41.00 C ATOM 1320 CE3 TRP A 93 -8.065 -0.278 7.843 1.00 13.52 C ATOM 1321 CZ2 TRP A 93 -6.952 1.613 6.064 1.00 62.33 C ATOM 1322 CZ3 TRP A 93 -8.859 0.624 7.160 1.00 62.52 C ATOM 1323 CH2 TRP A 93 -8.301 1.560 6.281 1.00 4.42 C ATOM 0 H TRP A 93 -7.534 -3.013 7.573 1.00 13.32 H new ATOM 0 HA TRP A 93 -4.726 -3.765 8.100 1.00 65.40 H new ATOM 0 HB2 TRP A 93 -6.562 -2.014 9.769 1.00 35.32 H new ATOM 0 HB3 TRP A 93 -4.812 -2.098 9.824 1.00 35.32 H new ATOM 0 HD1 TRP A 93 -3.452 -0.848 7.761 1.00 72.21 H new ATOM 0 HE1 TRP A 93 -4.135 1.082 6.173 1.00 42.44 H new ATOM 0 HE3 TRP A 93 -8.506 -0.995 8.520 1.00 13.52 H new ATOM 0 HZ2 TRP A 93 -6.523 2.333 5.382 1.00 62.33 H new ATOM 0 HZ3 TRP A 93 -9.929 0.606 7.307 1.00 62.52 H new ATOM 0 HH2 TRP A 93 -8.948 2.253 5.765 1.00 4.42 H new ATOM 1334 N VAL A 94 -5.357 -5.695 9.512 1.00 35.35 N ATOM 1335 CA VAL A 94 -5.653 -6.818 10.396 1.00 62.43 C ATOM 1336 C VAL A 94 -4.785 -6.741 11.643 1.00 62.23 C ATOM 1337 O VAL A 94 -3.558 -6.687 11.554 1.00 73.32 O ATOM 1338 CB VAL A 94 -5.401 -8.179 9.699 1.00 4.43 C ATOM 1339 CG1 VAL A 94 -6.125 -9.310 10.431 1.00 20.34 C ATOM 1340 CG2 VAL A 94 -5.802 -8.113 8.228 1.00 1.41 C ATOM 0 H VAL A 94 -4.537 -5.830 8.921 1.00 35.35 H new ATOM 0 HA VAL A 94 -6.708 -6.752 10.662 1.00 62.43 H new ATOM 0 HB VAL A 94 -4.333 -8.395 9.741 1.00 4.43 H new ATOM 0 HG11 VAL A 94 -5.932 -10.255 9.922 1.00 20.34 H new ATOM 0 HG12 VAL A 94 -5.762 -9.370 11.457 1.00 20.34 H new ATOM 0 HG13 VAL A 94 -7.197 -9.113 10.436 1.00 20.34 H new ATOM 0 HG21 VAL A 94 -5.617 -9.078 7.757 1.00 1.41 H new ATOM 0 HG22 VAL A 94 -6.861 -7.868 8.150 1.00 1.41 H new ATOM 0 HG23 VAL A 94 -5.214 -7.345 7.725 1.00 1.41 H new ATOM 1350 N TRP A 95 -5.424 -6.735 12.802 1.00 31.23 N ATOM 1351 CA TRP A 95 -4.710 -6.666 14.076 1.00 23.12 C ATOM 1352 C TRP A 95 -5.328 -7.592 15.126 1.00 52.33 C ATOM 1353 O TRP A 95 -4.753 -7.785 16.198 1.00 65.21 O ATOM 1354 CB TRP A 95 -4.690 -5.212 14.579 1.00 72.31 C ATOM 1355 CG TRP A 95 -6.028 -4.531 14.521 1.00 71.44 C ATOM 1356 CD1 TRP A 95 -6.683 -4.112 13.397 1.00 13.42 C ATOM 1357 CD2 TRP A 95 -6.863 -4.173 15.627 1.00 54.25 C ATOM 1358 NE1 TRP A 95 -7.875 -3.529 13.735 1.00 74.10 N ATOM 1359 CE2 TRP A 95 -8.009 -3.549 15.098 1.00 1.53 C ATOM 1360 CE3 TRP A 95 -6.755 -4.322 17.012 1.00 2.31 C ATOM 1361 CZ2 TRP A 95 -9.037 -3.075 15.907 1.00 74.14 C ATOM 1362 CZ3 TRP A 95 -7.775 -3.850 17.813 1.00 22.33 C ATOM 1363 CH2 TRP A 95 -8.905 -3.233 17.259 1.00 21.52 C ATOM 0 H TRP A 95 -6.439 -6.777 12.891 1.00 31.23 H new ATOM 0 HA TRP A 95 -3.688 -7.006 13.911 1.00 23.12 H new ATOM 0 HB2 TRP A 95 -4.330 -5.198 15.608 1.00 72.31 H new ATOM 0 HB3 TRP A 95 -3.977 -4.642 13.984 1.00 72.31 H new ATOM 0 HD1 TRP A 95 -6.314 -4.224 12.388 1.00 13.42 H new ATOM 0 HE1 TRP A 95 -8.553 -3.143 13.078 1.00 74.10 H new ATOM 0 HE3 TRP A 95 -5.889 -4.798 17.448 1.00 2.31 H new ATOM 0 HZ2 TRP A 95 -9.908 -2.599 15.482 1.00 74.14 H new ATOM 0 HZ3 TRP A 95 -7.701 -3.958 18.885 1.00 22.33 H new ATOM 0 HH2 TRP A 95 -9.687 -2.875 17.913 1.00 21.52 H new ATOM 1374 N ASN A 96 -6.473 -8.198 14.797 1.00 4.34 N ATOM 1375 CA ASN A 96 -7.226 -9.035 15.749 1.00 52.13 C ATOM 1376 C ASN A 96 -8.557 -9.496 15.138 1.00 14.51 C ATOM 1377 O ASN A 96 -8.846 -10.694 15.123 1.00 31.53 O ATOM 1378 CB ASN A 96 -7.485 -8.289 17.080 1.00 32.45 C ATOM 1379 CG ASN A 96 -8.257 -9.125 18.094 1.00 63.04 C ATOM 1380 OD1 ASN A 96 -8.173 -10.353 18.105 1.00 24.11 O ATOM 1381 ND2 ASN A 96 -8.992 -8.462 18.979 1.00 63.02 N ATOM 0 H ASN A 96 -6.904 -8.127 13.875 1.00 4.34 H new ATOM 0 HA ASN A 96 -6.614 -9.911 15.964 1.00 52.13 H new ATOM 0 HB2 ASN A 96 -6.531 -7.992 17.515 1.00 32.45 H new ATOM 0 HB3 ASN A 96 -8.040 -7.374 16.875 1.00 32.45 H new ATOM 0 HD21 ASN A 96 -9.509 -8.971 19.696 1.00 63.02 H new ATOM 0 HD22 ASN A 96 -9.040 -7.444 18.942 1.00 63.02 H new ATOM 1388 N PRO A 97 -9.395 -8.562 14.615 1.00 25.42 N ATOM 1389 CA PRO A 97 -10.695 -8.928 14.034 1.00 14.54 C ATOM 1390 C PRO A 97 -10.540 -9.678 12.707 1.00 2.23 C ATOM 1391 O PRO A 97 -9.605 -9.413 11.948 1.00 3.22 O ATOM 1392 CB PRO A 97 -11.385 -7.573 13.818 1.00 55.32 C ATOM 1393 CG PRO A 97 -10.264 -6.612 13.632 1.00 52.44 C ATOM 1394 CD PRO A 97 -9.151 -7.102 14.525 1.00 71.30 C ATOM 0 HA PRO A 97 -11.259 -9.603 14.677 1.00 14.54 H new ATOM 0 HB2 PRO A 97 -12.039 -7.595 12.946 1.00 55.32 H new ATOM 0 HB3 PRO A 97 -12.004 -7.301 14.673 1.00 55.32 H new ATOM 0 HG2 PRO A 97 -9.945 -6.580 12.590 1.00 52.44 H new ATOM 0 HG3 PRO A 97 -10.567 -5.601 13.903 1.00 52.44 H new ATOM 0 HD2 PRO A 97 -8.171 -6.885 14.101 1.00 71.30 H new ATOM 0 HD3 PRO A 97 -9.186 -6.628 15.506 1.00 71.30 H new ATOM 1402 N PRO A 98 -11.443 -10.638 12.423 1.00 45.10 N ATOM 1403 CA PRO A 98 -11.436 -11.383 11.157 1.00 44.33 C ATOM 1404 C PRO A 98 -11.698 -10.465 9.960 1.00 42.44 C ATOM 1405 O PRO A 98 -12.516 -9.544 10.047 1.00 53.31 O ATOM 1406 CB PRO A 98 -12.576 -12.404 11.323 1.00 72.00 C ATOM 1407 CG PRO A 98 -12.839 -12.460 12.794 1.00 55.53 C ATOM 1408 CD PRO A 98 -12.530 -11.085 13.313 1.00 42.54 C ATOM 0 HA PRO A 98 -10.471 -11.850 10.959 1.00 44.33 H new ATOM 0 HB2 PRO A 98 -13.466 -12.094 10.775 1.00 72.00 H new ATOM 0 HB3 PRO A 98 -12.289 -13.382 10.937 1.00 72.00 H new ATOM 0 HG2 PRO A 98 -13.875 -12.732 12.997 1.00 55.53 H new ATOM 0 HG3 PRO A 98 -12.212 -13.211 13.276 1.00 55.53 H new ATOM 0 HD2 PRO A 98 -13.397 -10.427 13.256 1.00 42.54 H new ATOM 0 HD3 PRO A 98 -12.215 -11.107 14.356 1.00 42.54 H new ATOM 1416 N TRP A 99 -11.006 -10.739 8.851 1.00 51.34 N ATOM 1417 CA TRP A 99 -11.070 -9.909 7.646 1.00 42.24 C ATOM 1418 C TRP A 99 -12.514 -9.557 7.270 1.00 40.33 C ATOM 1419 O TRP A 99 -13.287 -10.417 6.830 1.00 55.53 O ATOM 1420 CB TRP A 99 -10.389 -10.630 6.475 1.00 13.34 C ATOM 1421 CG TRP A 99 -8.959 -11.011 6.748 1.00 43.33 C ATOM 1422 CD1 TRP A 99 -7.846 -10.263 6.489 1.00 71.11 C ATOM 1423 CD2 TRP A 99 -8.492 -12.231 7.338 1.00 3.54 C ATOM 1424 NE1 TRP A 99 -6.720 -10.943 6.874 1.00 24.43 N ATOM 1425 CE2 TRP A 99 -7.088 -12.153 7.399 1.00 62.40 C ATOM 1426 CE3 TRP A 99 -9.124 -13.383 7.818 1.00 11.12 C ATOM 1427 CZ2 TRP A 99 -6.306 -13.180 7.922 1.00 22.54 C ATOM 1428 CZ3 TRP A 99 -8.345 -14.402 8.335 1.00 71.40 C ATOM 1429 CH2 TRP A 99 -6.950 -14.294 8.386 1.00 33.11 C ATOM 0 H TRP A 99 -10.385 -11.543 8.764 1.00 51.34 H new ATOM 0 HA TRP A 99 -10.546 -8.978 7.860 1.00 42.24 H new ATOM 0 HB2 TRP A 99 -10.956 -11.530 6.235 1.00 13.34 H new ATOM 0 HB3 TRP A 99 -10.423 -9.987 5.595 1.00 13.34 H new ATOM 0 HD1 TRP A 99 -7.852 -9.278 6.045 1.00 71.11 H new ATOM 0 HE1 TRP A 99 -5.763 -10.603 6.784 1.00 24.43 H new ATOM 0 HE3 TRP A 99 -10.200 -13.475 7.785 1.00 11.12 H new ATOM 0 HZ2 TRP A 99 -5.230 -13.100 7.960 1.00 22.54 H new ATOM 0 HZ3 TRP A 99 -8.821 -15.297 8.706 1.00 71.40 H new ATOM 0 HH2 TRP A 99 -6.371 -15.106 8.800 1.00 33.11 H new ATOM 1440 N GLY A 100 -12.866 -8.291 7.455 1.00 52.11 N ATOM 1441 CA GLY A 100 -14.194 -7.809 7.131 1.00 32.24 C ATOM 1442 C GLY A 100 -14.290 -6.295 7.216 1.00 4.13 C ATOM 1443 O GLY A 100 -14.080 -5.602 6.217 1.00 52.12 O ATOM 0 H GLY A 100 -12.241 -7.578 7.831 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -14.461 -8.133 6.125 1.00 32.24 H new ATOM 0 HA3 GLY A 100 -14.918 -8.256 7.812 1.00 32.24 H new ATOM 1447 N PRO A 101 -14.587 -5.744 8.410 1.00 32.15 N ATOM 1448 CA PRO A 101 -14.751 -4.291 8.604 1.00 43.24 C ATOM 1449 C PRO A 101 -13.467 -3.514 8.300 1.00 75.34 C ATOM 1450 O PRO A 101 -13.506 -2.370 7.841 1.00 50.11 O ATOM 1451 CB PRO A 101 -15.126 -4.160 10.094 1.00 74.44 C ATOM 1452 CG PRO A 101 -15.582 -5.523 10.502 1.00 32.33 C ATOM 1453 CD PRO A 101 -14.788 -6.488 9.666 1.00 54.52 C ATOM 0 HA PRO A 101 -15.500 -3.875 7.930 1.00 43.24 H new ATOM 0 HB2 PRO A 101 -14.272 -3.836 10.688 1.00 74.44 H new ATOM 0 HB3 PRO A 101 -15.914 -3.421 10.239 1.00 74.44 H new ATOM 0 HG2 PRO A 101 -15.408 -5.692 11.565 1.00 32.33 H new ATOM 0 HG3 PRO A 101 -16.651 -5.645 10.331 1.00 32.33 H new ATOM 0 HD2 PRO A 101 -13.841 -6.748 10.138 1.00 54.52 H new ATOM 0 HD3 PRO A 101 -15.328 -7.420 9.502 1.00 54.52 H new ATOM 1461 N ASP A 102 -12.330 -4.160 8.533 1.00 61.34 N ATOM 1462 CA ASP A 102 -11.020 -3.534 8.337 1.00 63.41 C ATOM 1463 C ASP A 102 -10.779 -3.207 6.863 1.00 61.45 C ATOM 1464 O ASP A 102 -9.832 -2.506 6.524 1.00 13.41 O ATOM 1465 CB ASP A 102 -9.903 -4.453 8.861 1.00 32.30 C ATOM 1466 CG ASP A 102 -9.801 -5.766 8.093 1.00 63.31 C ATOM 1467 OD1 ASP A 102 -10.850 -6.405 7.870 1.00 42.44 O ATOM 1468 OD2 ASP A 102 -8.677 -6.169 7.724 1.00 71.15 O ATOM 0 H ASP A 102 -12.286 -5.125 8.861 1.00 61.34 H new ATOM 0 HA ASP A 102 -11.008 -2.601 8.900 1.00 63.41 H new ATOM 0 HB2 ASP A 102 -8.950 -3.928 8.800 1.00 32.30 H new ATOM 0 HB3 ASP A 102 -10.081 -4.668 9.915 1.00 32.30 H new ATOM 1473 N LYS A 103 -11.649 -3.721 5.995 1.00 4.24 N ATOM 1474 CA LYS A 103 -11.547 -3.484 4.557 1.00 3.00 C ATOM 1475 C LYS A 103 -12.179 -2.146 4.159 1.00 4.12 C ATOM 1476 O LYS A 103 -12.134 -1.758 2.987 1.00 71.12 O ATOM 1477 CB LYS A 103 -12.212 -4.639 3.787 1.00 65.34 C ATOM 1478 CG LYS A 103 -11.542 -5.996 4.013 1.00 51.04 C ATOM 1479 CD LYS A 103 -12.279 -7.130 3.304 1.00 33.33 C ATOM 1480 CE LYS A 103 -11.562 -8.467 3.484 1.00 42.04 C ATOM 1481 NZ LYS A 103 -10.235 -8.490 2.804 1.00 14.43 N ATOM 0 H LYS A 103 -12.438 -4.308 6.266 1.00 4.24 H new ATOM 0 HA LYS A 103 -10.489 -3.438 4.298 1.00 3.00 H new ATOM 0 HB2 LYS A 103 -13.259 -4.707 4.084 1.00 65.34 H new ATOM 0 HB3 LYS A 103 -12.197 -4.410 2.722 1.00 65.34 H new ATOM 0 HG2 LYS A 103 -10.513 -5.955 3.656 1.00 51.04 H new ATOM 0 HG3 LYS A 103 -11.500 -6.205 5.082 1.00 51.04 H new ATOM 0 HD2 LYS A 103 -13.294 -7.205 3.695 1.00 33.33 H new ATOM 0 HD3 LYS A 103 -12.363 -6.902 2.241 1.00 33.33 H new ATOM 0 HE2 LYS A 103 -11.427 -8.665 4.547 1.00 42.04 H new ATOM 0 HE3 LYS A 103 -12.186 -9.268 3.087 1.00 42.04 H new ATOM 0 HZ1 LYS A 103 -9.868 -9.463 2.791 1.00 14.43 H new ATOM 0 HZ2 LYS A 103 -10.339 -8.146 1.828 1.00 14.43 H new ATOM 0 HZ3 LYS A 103 -9.571 -7.877 3.318 1.00 14.43 H new