USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl 149:sc= -0.276 (180deg=-1.01) USER MOD Set 1.2: A 54 THR OG1 : rot -160:sc= -0.162 USER MOD Set 2.1: A 17 THR OG1 : rot 7:sc= 1.73 USER MOD Set 2.2: A 21 TYR OH : rot -140:sc= -1.28 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 23 GLN : amide:sc= -3.78! C(o=-3.8!,f=-6.3!) USER MOD Single : A 35 THR OG1 : rot 151:sc= -2.96 USER MOD Single : A 48 GLN : amide:sc=-0.000819 K(o=-0.00082,f=-0.55) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -132:sc= -3.77! USER MOD Single : A 74 THR OG1 : rot -46:sc= -9! USER MOD Single : A 79 THR OG1 : rot 11:sc= -0.193 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.45 F(o=-2.5,f=-1.5) USER MOD Single : A 94 THR OG1 : rot 140:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.089 0.137 -0.038 1.00 51.22 N ATOM 2 CA ASP A 11 1.656 0.176 -1.381 1.00 4.31 C ATOM 3 C ASP A 11 1.452 -1.156 -2.096 1.00 41.42 C ATOM 4 O ASP A 11 1.411 -1.212 -3.325 1.00 45.35 O ATOM 5 CB ASP A 11 3.147 0.512 -1.318 1.00 43.11 C ATOM 6 CG ASP A 11 3.991 -0.676 -0.899 1.00 1.42 C ATOM 7 OD1 ASP A 11 3.632 -1.336 0.099 1.00 62.34 O ATOM 8 OD2 ASP A 11 5.010 -0.945 -1.569 1.00 12.04 O ATOM 0 HA ASP A 11 1.140 0.953 -1.945 1.00 4.31 H new ATOM 0 HB2 ASP A 11 3.479 0.863 -2.295 1.00 43.11 H new ATOM 0 HB3 ASP A 11 3.303 1.331 -0.615 1.00 43.11 H new ATOM 13 N TYR A 12 1.325 -2.225 -1.319 1.00 22.22 N ATOM 14 CA TYR A 12 1.129 -3.557 -1.878 1.00 33.40 C ATOM 15 C TYR A 12 -0.234 -3.669 -2.555 1.00 41.51 C ATOM 16 O TYR A 12 -0.460 -4.556 -3.378 1.00 33.13 O ATOM 17 CB TYR A 12 1.254 -4.617 -0.782 1.00 11.11 C ATOM 18 CG TYR A 12 2.547 -4.532 -0.002 1.00 55.41 C ATOM 19 CD1 TYR A 12 3.728 -5.050 -0.519 1.00 12.40 C ATOM 20 CD2 TYR A 12 2.587 -3.934 1.252 1.00 74.34 C ATOM 21 CE1 TYR A 12 4.911 -4.975 0.190 1.00 1.30 C ATOM 22 CE2 TYR A 12 3.766 -3.854 1.967 1.00 14.40 C ATOM 23 CZ TYR A 12 4.925 -4.375 1.432 1.00 30.42 C ATOM 24 OH TYR A 12 6.101 -4.298 2.142 1.00 21.34 O ATOM 0 H TYR A 12 1.354 -2.195 -0.300 1.00 22.22 H new ATOM 0 HA TYR A 12 1.902 -3.725 -2.628 1.00 33.40 H new ATOM 0 HB2 TYR A 12 0.416 -4.515 -0.092 1.00 11.11 H new ATOM 0 HB3 TYR A 12 1.176 -5.606 -1.234 1.00 11.11 H new ATOM 0 HD1 TYR A 12 3.721 -5.519 -1.492 1.00 12.40 H new ATOM 0 HD2 TYR A 12 1.681 -3.525 1.674 1.00 74.34 H new ATOM 0 HE1 TYR A 12 5.820 -5.384 -0.226 1.00 1.30 H new ATOM 0 HE2 TYR A 12 3.780 -3.386 2.940 1.00 14.40 H new ATOM 0 HH TYR A 12 5.939 -3.845 2.996 1.00 21.34 H new ATOM 34 N ASP A 13 -1.138 -2.761 -2.203 1.00 43.21 N ATOM 35 CA ASP A 13 -2.478 -2.754 -2.777 1.00 73.11 C ATOM 36 C ASP A 13 -2.423 -2.531 -4.285 1.00 64.42 C ATOM 37 O ASP A 13 -1.378 -2.714 -4.911 1.00 40.51 O ATOM 38 CB ASP A 13 -3.332 -1.669 -2.120 1.00 11.51 C ATOM 39 CG ASP A 13 -2.857 -0.271 -2.465 1.00 15.41 C ATOM 40 OD1 ASP A 13 -1.988 0.257 -1.740 1.00 20.02 O ATOM 41 OD2 ASP A 13 -3.355 0.295 -3.460 1.00 42.44 O ATOM 0 H ASP A 13 -0.967 -2.020 -1.523 1.00 43.21 H new ATOM 0 HA ASP A 13 -2.932 -3.727 -2.588 1.00 73.11 H new ATOM 0 HB2 ASP A 13 -4.369 -1.786 -2.436 1.00 11.51 H new ATOM 0 HB3 ASP A 13 -3.312 -1.800 -1.038 1.00 11.51 H new ATOM 46 N ILE A 14 -3.553 -2.138 -4.862 1.00 50.20 N ATOM 47 CA ILE A 14 -3.632 -1.891 -6.296 1.00 54.43 C ATOM 48 C ILE A 14 -3.972 -0.432 -6.585 1.00 25.21 C ATOM 49 O ILE A 14 -4.543 0.274 -5.754 1.00 53.22 O ATOM 50 CB ILE A 14 -4.686 -2.793 -6.966 1.00 23.03 C ATOM 51 CG1 ILE A 14 -4.014 -3.760 -7.943 1.00 23.24 C ATOM 52 CG2 ILE A 14 -5.729 -1.948 -7.682 1.00 21.23 C ATOM 53 CD1 ILE A 14 -3.699 -5.110 -7.336 1.00 44.32 C ATOM 0 H ILE A 14 -4.427 -1.984 -4.358 1.00 50.20 H new ATOM 0 HA ILE A 14 -2.651 -2.123 -6.710 1.00 54.43 H new ATOM 0 HB ILE A 14 -5.188 -3.376 -6.194 1.00 23.03 H new ATOM 0 HG12 ILE A 14 -4.664 -3.902 -8.806 1.00 23.24 H new ATOM 0 HG13 ILE A 14 -3.091 -3.311 -8.309 1.00 23.24 H new ATOM 0 HG21 ILE A 14 -6.466 -2.600 -8.150 1.00 21.23 H new ATOM 0 HG22 ILE A 14 -6.225 -1.296 -6.963 1.00 21.23 H new ATOM 0 HG23 ILE A 14 -5.244 -1.342 -8.447 1.00 21.23 H new ATOM 0 HD11 ILE A 14 -3.224 -5.744 -8.085 1.00 44.32 H new ATOM 0 HD12 ILE A 14 -3.024 -4.980 -6.490 1.00 44.32 H new ATOM 0 HD13 ILE A 14 -4.622 -5.580 -6.995 1.00 44.32 H new ATOM 65 N PRO A 15 -3.613 0.031 -7.791 1.00 50.15 N ATOM 66 CA PRO A 15 -3.872 1.409 -8.219 1.00 45.21 C ATOM 67 C PRO A 15 -5.355 1.676 -8.449 1.00 11.32 C ATOM 68 O PRO A 15 -5.741 2.280 -9.451 1.00 24.22 O ATOM 69 CB PRO A 15 -3.098 1.523 -9.535 1.00 4.42 C ATOM 70 CG PRO A 15 -3.012 0.127 -10.047 1.00 33.14 C ATOM 71 CD PRO A 15 -2.928 -0.755 -8.832 1.00 13.15 C ATOM 0 HA PRO A 15 -3.567 2.134 -7.464 1.00 45.21 H new ATOM 0 HB2 PRO A 15 -3.613 2.173 -10.242 1.00 4.42 H new ATOM 0 HB3 PRO A 15 -2.107 1.948 -9.376 1.00 4.42 H new ATOM 0 HG2 PRO A 15 -3.885 -0.122 -10.650 1.00 33.14 H new ATOM 0 HG3 PRO A 15 -2.137 -0.002 -10.684 1.00 33.14 H new ATOM 0 HD2 PRO A 15 -3.417 -1.715 -8.998 1.00 13.15 H new ATOM 0 HD3 PRO A 15 -1.894 -0.967 -8.560 1.00 13.15 H new ATOM 79 N THR A 16 -6.185 1.224 -7.514 1.00 71.41 N ATOM 80 CA THR A 16 -7.627 1.413 -7.615 1.00 45.21 C ATOM 81 C THR A 16 -8.270 1.480 -6.235 1.00 34.31 C ATOM 82 O THR A 16 -9.482 1.308 -6.094 1.00 2.20 O ATOM 83 CB THR A 16 -8.287 0.280 -8.423 1.00 41.10 C ATOM 84 OG1 THR A 16 -7.457 -0.077 -9.534 1.00 72.11 O ATOM 85 CG2 THR A 16 -9.660 0.702 -8.924 1.00 30.22 C ATOM 0 H THR A 16 -5.883 0.724 -6.678 1.00 71.41 H new ATOM 0 HA THR A 16 -7.787 2.359 -8.133 1.00 45.21 H new ATOM 0 HB THR A 16 -8.406 -0.583 -7.767 1.00 41.10 H new ATOM 0 HG1 THR A 16 -7.883 -0.799 -10.042 1.00 72.11 H new ATOM 0 HG21 THR A 16 -10.107 -0.114 -9.492 1.00 30.22 H new ATOM 0 HG22 THR A 16 -10.298 0.945 -8.075 1.00 30.22 H new ATOM 0 HG23 THR A 16 -9.560 1.578 -9.565 1.00 30.22 H new ATOM 93 N THR A 17 -7.453 1.730 -5.217 1.00 1.51 N ATOM 94 CA THR A 17 -7.943 1.819 -3.847 1.00 42.32 C ATOM 95 C THR A 17 -8.671 3.137 -3.608 1.00 42.00 C ATOM 96 O THR A 17 -8.988 3.861 -4.551 1.00 61.12 O ATOM 97 CB THR A 17 -6.793 1.689 -2.830 1.00 35.21 C ATOM 98 OG1 THR A 17 -5.780 2.662 -3.108 1.00 73.31 O ATOM 99 CG2 THR A 17 -6.189 0.293 -2.872 1.00 51.53 C ATOM 0 H THR A 17 -6.448 1.875 -5.315 1.00 1.51 H new ATOM 0 HA THR A 17 -8.639 0.992 -3.706 1.00 42.32 H new ATOM 0 HB THR A 17 -7.198 1.863 -1.833 1.00 35.21 H new ATOM 0 HG1 THR A 17 -6.090 3.264 -3.816 1.00 73.31 H new ATOM 0 HG21 THR A 17 -5.379 0.225 -2.146 1.00 51.53 H new ATOM 0 HG22 THR A 17 -6.956 -0.443 -2.630 1.00 51.53 H new ATOM 0 HG23 THR A 17 -5.799 0.095 -3.870 1.00 51.53 H new ATOM 107 N GLU A 18 -8.932 3.442 -2.341 1.00 1.12 N ATOM 108 CA GLU A 18 -9.623 4.674 -1.979 1.00 52.12 C ATOM 109 C GLU A 18 -8.718 5.584 -1.154 1.00 22.11 C ATOM 110 O GLU A 18 -7.920 6.344 -1.701 1.00 10.24 O ATOM 111 CB GLU A 18 -10.899 4.358 -1.195 1.00 5.11 C ATOM 112 CG GLU A 18 -11.965 3.661 -2.023 1.00 11.04 C ATOM 113 CD GLU A 18 -13.097 4.590 -2.417 1.00 62.24 C ATOM 114 OE1 GLU A 18 -12.895 5.413 -3.335 1.00 73.32 O ATOM 115 OE2 GLU A 18 -14.183 4.494 -1.809 1.00 51.42 O ATOM 0 H GLU A 18 -8.676 2.853 -1.548 1.00 1.12 H new ATOM 0 HA GLU A 18 -9.890 5.194 -2.899 1.00 52.12 H new ATOM 0 HB2 GLU A 18 -10.645 3.729 -0.342 1.00 5.11 H new ATOM 0 HB3 GLU A 18 -11.309 5.286 -0.796 1.00 5.11 H new ATOM 0 HG2 GLU A 18 -11.509 3.248 -2.923 1.00 11.04 H new ATOM 0 HG3 GLU A 18 -12.369 2.822 -1.457 1.00 11.04 H new ATOM 122 N ASN A 19 -8.849 5.500 0.166 1.00 21.20 N ATOM 123 CA ASN A 19 -8.044 6.316 1.068 1.00 61.14 C ATOM 124 C ASN A 19 -6.745 5.604 1.432 1.00 23.11 C ATOM 125 O ASN A 19 -6.000 6.055 2.303 1.00 44.31 O ATOM 126 CB ASN A 19 -8.834 6.641 2.337 1.00 42.21 C ATOM 127 CG ASN A 19 -9.486 8.009 2.277 1.00 33.23 C ATOM 128 OD1 ASN A 19 -10.071 8.386 1.262 1.00 51.12 O ATOM 129 ND2 ASN A 19 -9.389 8.759 3.369 1.00 65.13 N ATOM 0 H ASN A 19 -9.505 4.875 0.635 1.00 21.20 H new ATOM 0 HA ASN A 19 -7.797 7.245 0.554 1.00 61.14 H new ATOM 0 HB2 ASN A 19 -9.601 5.882 2.488 1.00 42.21 H new ATOM 0 HB3 ASN A 19 -8.167 6.597 3.198 1.00 42.21 H new ATOM 0 HD21 ASN A 19 -9.809 9.688 3.388 1.00 65.13 H new ATOM 0 HD22 ASN A 19 -8.894 8.406 4.188 1.00 65.13 H new ATOM 136 N LEU A 20 -6.479 4.489 0.760 1.00 1.31 N ATOM 137 CA LEU A 20 -5.269 3.714 1.012 1.00 50.10 C ATOM 138 C LEU A 20 -4.048 4.398 0.405 1.00 30.31 C ATOM 139 O LEU A 20 -2.910 4.014 0.677 1.00 50.30 O ATOM 140 CB LEU A 20 -5.415 2.303 0.439 1.00 11.21 C ATOM 141 CG LEU A 20 -6.354 1.365 1.198 1.00 74.25 C ATOM 142 CD1 LEU A 20 -7.368 2.162 2.004 1.00 72.51 C ATOM 143 CD2 LEU A 20 -7.059 0.422 0.233 1.00 14.11 C ATOM 0 H LEU A 20 -7.085 4.102 0.037 1.00 1.31 H new ATOM 0 HA LEU A 20 -5.127 3.649 2.091 1.00 50.10 H new ATOM 0 HB2 LEU A 20 -5.768 2.385 -0.589 1.00 11.21 H new ATOM 0 HB3 LEU A 20 -4.427 1.844 0.401 1.00 11.21 H new ATOM 0 HG LEU A 20 -5.760 0.768 1.890 1.00 74.25 H new ATOM 0 HD11 LEU A 20 -8.028 1.478 2.537 1.00 72.51 H new ATOM 0 HD12 LEU A 20 -6.846 2.795 2.721 1.00 72.51 H new ATOM 0 HD13 LEU A 20 -7.958 2.785 1.332 1.00 72.51 H new ATOM 0 HD21 LEU A 20 -7.723 -0.239 0.790 1.00 14.11 H new ATOM 0 HD22 LEU A 20 -7.641 1.002 -0.483 1.00 14.11 H new ATOM 0 HD23 LEU A 20 -6.318 -0.174 -0.300 1.00 14.11 H new ATOM 155 N TYR A 21 -4.292 5.413 -0.416 1.00 72.10 N ATOM 156 CA TYR A 21 -3.213 6.150 -1.062 1.00 3.33 C ATOM 157 C TYR A 21 -2.542 7.105 -0.079 1.00 43.43 C ATOM 158 O TYR A 21 -1.386 7.489 -0.260 1.00 1.43 O ATOM 159 CB TYR A 21 -3.748 6.930 -2.264 1.00 5.41 C ATOM 160 CG TYR A 21 -4.323 6.050 -3.350 1.00 34.44 C ATOM 161 CD1 TYR A 21 -3.515 5.172 -4.061 1.00 72.32 C ATOM 162 CD2 TYR A 21 -5.676 6.095 -3.663 1.00 74.21 C ATOM 163 CE1 TYR A 21 -4.037 4.366 -5.054 1.00 71.14 C ATOM 164 CE2 TYR A 21 -6.207 5.292 -4.654 1.00 33.52 C ATOM 165 CZ TYR A 21 -5.384 4.429 -5.347 1.00 4.22 C ATOM 166 OH TYR A 21 -5.908 3.627 -6.335 1.00 4.14 O ATOM 0 H TYR A 21 -5.228 5.744 -0.650 1.00 72.10 H new ATOM 0 HA TYR A 21 -2.470 5.430 -1.406 1.00 3.33 H new ATOM 0 HB2 TYR A 21 -4.518 7.622 -1.924 1.00 5.41 H new ATOM 0 HB3 TYR A 21 -2.942 7.531 -2.684 1.00 5.41 H new ATOM 0 HD1 TYR A 21 -2.461 5.119 -3.834 1.00 72.32 H new ATOM 0 HD2 TYR A 21 -6.324 6.769 -3.122 1.00 74.21 H new ATOM 0 HE1 TYR A 21 -3.394 3.690 -5.598 1.00 71.14 H new ATOM 0 HE2 TYR A 21 -7.261 5.340 -4.885 1.00 33.52 H new ATOM 0 HH TYR A 21 -6.568 4.134 -6.852 1.00 4.14 H new ATOM 176 N PHE A 22 -3.275 7.485 0.962 1.00 74.42 N ATOM 177 CA PHE A 22 -2.753 8.395 1.974 1.00 11.02 C ATOM 178 C PHE A 22 -1.751 7.685 2.879 1.00 23.32 C ATOM 179 O PHE A 22 -0.776 8.284 3.333 1.00 73.10 O ATOM 180 CB PHE A 22 -3.897 8.969 2.813 1.00 43.42 C ATOM 181 CG PHE A 22 -4.237 10.391 2.468 1.00 13.12 C ATOM 182 CD1 PHE A 22 -3.558 11.443 3.061 1.00 14.32 C ATOM 183 CD2 PHE A 22 -5.237 10.675 1.552 1.00 41.33 C ATOM 184 CE1 PHE A 22 -3.869 12.753 2.746 1.00 31.21 C ATOM 185 CE2 PHE A 22 -5.552 11.983 1.232 1.00 24.44 C ATOM 186 CZ PHE A 22 -4.868 13.023 1.831 1.00 22.42 C ATOM 0 H PHE A 22 -4.233 7.176 1.127 1.00 74.42 H new ATOM 0 HA PHE A 22 -2.241 9.211 1.464 1.00 11.02 H new ATOM 0 HB2 PHE A 22 -4.783 8.349 2.678 1.00 43.42 H new ATOM 0 HB3 PHE A 22 -3.627 8.914 3.868 1.00 43.42 H new ATOM 0 HD1 PHE A 22 -2.777 11.238 3.778 1.00 14.32 H new ATOM 0 HD2 PHE A 22 -5.777 9.866 1.083 1.00 41.33 H new ATOM 0 HE1 PHE A 22 -3.332 13.564 3.215 1.00 31.21 H new ATOM 0 HE2 PHE A 22 -6.332 12.191 0.515 1.00 24.44 H new ATOM 0 HZ PHE A 22 -5.114 14.045 1.584 1.00 22.42 H new ATOM 196 N GLN A 23 -1.999 6.405 3.137 1.00 62.30 N ATOM 197 CA GLN A 23 -1.119 5.613 3.989 1.00 71.03 C ATOM 198 C GLN A 23 0.247 5.426 3.336 1.00 12.44 C ATOM 199 O GLN A 23 1.281 5.655 3.962 1.00 41.41 O ATOM 200 CB GLN A 23 -1.749 4.250 4.281 1.00 65.22 C ATOM 201 CG GLN A 23 -3.233 4.321 4.598 1.00 35.32 C ATOM 202 CD GLN A 23 -3.546 5.301 5.712 1.00 71.41 C ATOM 203 OE1 GLN A 23 -3.450 4.967 6.893 1.00 21.12 O ATOM 204 NE2 GLN A 23 -3.923 6.519 5.341 1.00 62.44 N ATOM 0 H GLN A 23 -2.801 5.894 2.769 1.00 62.30 H new ATOM 0 HA GLN A 23 -0.982 6.151 4.927 1.00 71.03 H new ATOM 0 HB2 GLN A 23 -1.601 3.599 3.420 1.00 65.22 H new ATOM 0 HB3 GLN A 23 -1.228 3.791 5.121 1.00 65.22 H new ATOM 0 HG2 GLN A 23 -3.779 4.611 3.700 1.00 35.32 H new ATOM 0 HG3 GLN A 23 -3.588 3.330 4.881 1.00 35.32 H new ATOM 0 HE21 GLN A 23 -3.989 6.753 4.350 1.00 62.44 H new ATOM 0 HE22 GLN A 23 -4.146 7.221 6.047 1.00 62.44 H new ATOM 213 N GLY A 24 0.242 5.008 2.074 1.00 4.21 N ATOM 214 CA GLY A 24 1.487 4.797 1.358 1.00 11.32 C ATOM 215 C GLY A 24 2.478 5.924 1.573 1.00 15.40 C ATOM 216 O GLY A 24 3.689 5.709 1.545 1.00 72.13 O ATOM 0 H GLY A 24 -0.601 4.812 1.535 1.00 4.21 H new ATOM 0 HA2 GLY A 24 1.934 3.857 1.682 1.00 11.32 H new ATOM 0 HA3 GLY A 24 1.278 4.700 0.293 1.00 11.32 H new ATOM 220 N ALA A 25 1.962 7.131 1.787 1.00 70.51 N ATOM 221 CA ALA A 25 2.810 8.296 2.007 1.00 33.55 C ATOM 222 C ALA A 25 3.826 8.033 3.114 1.00 52.51 C ATOM 223 O ALA A 25 5.033 8.053 2.878 1.00 44.43 O ATOM 224 CB ALA A 25 1.959 9.511 2.346 1.00 21.34 C ATOM 0 H ALA A 25 0.961 7.327 1.813 1.00 70.51 H new ATOM 0 HA ALA A 25 3.358 8.496 1.086 1.00 33.55 H new ATOM 0 HB1 ALA A 25 2.605 10.374 2.508 1.00 21.34 H new ATOM 0 HB2 ALA A 25 1.276 9.718 1.522 1.00 21.34 H new ATOM 0 HB3 ALA A 25 1.385 9.312 3.251 1.00 21.34 H new ATOM 230 N MET A 26 3.329 7.789 4.322 1.00 75.32 N ATOM 231 CA MET A 26 4.194 7.522 5.465 1.00 44.24 C ATOM 232 C MET A 26 4.928 6.196 5.293 1.00 32.24 C ATOM 233 O MET A 26 5.879 5.904 6.017 1.00 3.13 O ATOM 234 CB MET A 26 3.377 7.503 6.758 1.00 53.05 C ATOM 235 CG MET A 26 4.181 7.089 7.979 1.00 1.11 C ATOM 236 SD MET A 26 5.553 8.209 8.320 1.00 71.45 S ATOM 237 CE MET A 26 4.694 9.777 8.418 1.00 55.14 C ATOM 0 H MET A 26 2.332 7.771 4.535 1.00 75.32 H new ATOM 0 HA MET A 26 4.933 8.321 5.524 1.00 44.24 H new ATOM 0 HB2 MET A 26 2.958 8.495 6.928 1.00 53.05 H new ATOM 0 HB3 MET A 26 2.537 6.819 6.637 1.00 53.05 H new ATOM 0 HG2 MET A 26 3.523 7.052 8.847 1.00 1.11 H new ATOM 0 HG3 MET A 26 4.568 6.081 7.830 1.00 1.11 H new ATOM 0 HE1 MET A 26 5.212 10.433 9.118 1.00 55.14 H new ATOM 0 HE2 MET A 26 4.673 10.242 7.433 1.00 55.14 H new ATOM 0 HE3 MET A 26 3.673 9.612 8.763 1.00 55.14 H new ATOM 247 N ALA A 27 4.479 5.396 4.332 1.00 53.24 N ATOM 248 CA ALA A 27 5.094 4.102 4.065 1.00 73.12 C ATOM 249 C ALA A 27 6.508 4.268 3.520 1.00 41.14 C ATOM 250 O ALA A 27 7.331 3.357 3.611 1.00 33.35 O ATOM 251 CB ALA A 27 4.241 3.303 3.090 1.00 11.14 C ATOM 0 H ALA A 27 3.691 5.621 3.725 1.00 53.24 H new ATOM 0 HA ALA A 27 5.157 3.557 5.007 1.00 73.12 H new ATOM 0 HB1 ALA A 27 4.712 2.339 2.900 1.00 11.14 H new ATOM 0 HB2 ALA A 27 3.251 3.145 3.518 1.00 11.14 H new ATOM 0 HB3 ALA A 27 4.148 3.852 2.153 1.00 11.14 H new ATOM 257 N PHE A 28 6.785 5.437 2.951 1.00 14.13 N ATOM 258 CA PHE A 28 8.100 5.722 2.389 1.00 32.14 C ATOM 259 C PHE A 28 9.049 6.243 3.464 1.00 23.44 C ATOM 260 O PHE A 28 10.141 6.726 3.163 1.00 54.03 O ATOM 261 CB PHE A 28 7.983 6.744 1.257 1.00 5.41 C ATOM 262 CG PHE A 28 6.897 6.425 0.271 1.00 53.44 C ATOM 263 CD1 PHE A 28 6.964 5.282 -0.508 1.00 71.44 C ATOM 264 CD2 PHE A 28 5.808 7.270 0.122 1.00 61.30 C ATOM 265 CE1 PHE A 28 5.965 4.985 -1.417 1.00 23.21 C ATOM 266 CE2 PHE A 28 4.806 6.978 -0.784 1.00 65.04 C ATOM 267 CZ PHE A 28 4.886 5.835 -1.556 1.00 33.23 C ATOM 0 H PHE A 28 6.116 6.202 2.867 1.00 14.13 H new ATOM 0 HA PHE A 28 8.507 4.793 1.990 1.00 32.14 H new ATOM 0 HB2 PHE A 28 7.796 7.729 1.685 1.00 5.41 H new ATOM 0 HB3 PHE A 28 8.936 6.801 0.730 1.00 5.41 H new ATOM 0 HD1 PHE A 28 7.807 4.614 -0.404 1.00 71.44 H new ATOM 0 HD2 PHE A 28 5.742 8.166 0.721 1.00 61.30 H new ATOM 0 HE1 PHE A 28 6.029 4.089 -2.017 1.00 23.21 H new ATOM 0 HE2 PHE A 28 3.961 7.643 -0.888 1.00 65.04 H new ATOM 0 HZ PHE A 28 4.106 5.607 -2.267 1.00 33.23 H new ATOM 277 N ASP A 29 8.625 6.141 4.719 1.00 24.42 N ATOM 278 CA ASP A 29 9.437 6.600 5.840 1.00 0.32 C ATOM 279 C ASP A 29 10.245 5.450 6.434 1.00 15.31 C ATOM 280 O ASP A 29 11.451 5.347 6.215 1.00 53.22 O ATOM 281 CB ASP A 29 8.550 7.226 6.917 1.00 15.22 C ATOM 282 CG ASP A 29 9.031 8.601 7.338 1.00 65.23 C ATOM 283 OD1 ASP A 29 10.253 8.765 7.538 1.00 12.03 O ATOM 284 OD2 ASP A 29 8.187 9.512 7.467 1.00 41.11 O ATOM 0 H ASP A 29 7.724 5.745 4.986 1.00 24.42 H new ATOM 0 HA ASP A 29 10.131 7.354 5.469 1.00 0.32 H new ATOM 0 HB2 ASP A 29 7.529 7.300 6.544 1.00 15.22 H new ATOM 0 HB3 ASP A 29 8.524 6.571 7.788 1.00 15.22 H new ATOM 289 N GLY A 30 9.570 4.588 7.189 1.00 62.35 N ATOM 290 CA GLY A 30 10.241 3.457 7.803 1.00 2.44 C ATOM 291 C GLY A 30 9.280 2.347 8.179 1.00 3.03 C ATOM 292 O GLY A 30 9.636 1.437 8.927 1.00 64.44 O ATOM 0 H GLY A 30 8.571 4.653 7.386 1.00 62.35 H new ATOM 0 HA2 GLY A 30 10.991 3.066 7.115 1.00 2.44 H new ATOM 0 HA3 GLY A 30 10.770 3.793 8.695 1.00 2.44 H new ATOM 296 N GLU A 31 8.058 2.423 7.661 1.00 3.22 N ATOM 297 CA GLU A 31 7.043 1.417 7.950 1.00 50.23 C ATOM 298 C GLU A 31 7.506 0.033 7.503 1.00 53.41 C ATOM 299 O GLU A 31 7.508 -0.277 6.312 1.00 65.24 O ATOM 300 CB GLU A 31 5.727 1.775 7.256 1.00 12.54 C ATOM 301 CG GLU A 31 5.332 3.234 7.416 1.00 31.14 C ATOM 302 CD GLU A 31 3.860 3.473 7.142 1.00 50.31 C ATOM 303 OE1 GLU A 31 3.328 2.865 6.190 1.00 61.33 O ATOM 304 OE2 GLU A 31 3.240 4.269 7.878 1.00 22.32 O ATOM 0 H GLU A 31 7.747 3.170 7.040 1.00 3.22 H new ATOM 0 HA GLU A 31 6.884 1.397 9.028 1.00 50.23 H new ATOM 0 HB2 GLU A 31 5.812 1.545 6.194 1.00 12.54 H new ATOM 0 HB3 GLU A 31 4.932 1.146 7.656 1.00 12.54 H new ATOM 0 HG2 GLU A 31 5.567 3.561 8.429 1.00 31.14 H new ATOM 0 HG3 GLU A 31 5.928 3.844 6.737 1.00 31.14 H new ATOM 311 N ASP A 32 7.897 -0.793 8.467 1.00 54.22 N ATOM 312 CA ASP A 32 8.361 -2.144 8.174 1.00 2.20 C ATOM 313 C ASP A 32 7.204 -3.032 7.729 1.00 74.01 C ATOM 314 O ASP A 32 6.131 -2.541 7.381 1.00 15.51 O ATOM 315 CB ASP A 32 9.042 -2.749 9.402 1.00 31.45 C ATOM 316 CG ASP A 32 10.399 -3.342 9.079 1.00 63.20 C ATOM 317 OD1 ASP A 32 10.585 -3.811 7.936 1.00 5.51 O ATOM 318 OD2 ASP A 32 11.276 -3.337 9.968 1.00 13.13 O ATOM 0 H ASP A 32 7.902 -0.551 9.458 1.00 54.22 H new ATOM 0 HA ASP A 32 9.083 -2.085 7.360 1.00 2.20 H new ATOM 0 HB2 ASP A 32 9.158 -1.980 10.166 1.00 31.45 H new ATOM 0 HB3 ASP A 32 8.402 -3.523 9.824 1.00 31.45 H new ATOM 323 N GLU A 33 7.430 -4.342 7.742 1.00 44.13 N ATOM 324 CA GLU A 33 6.406 -5.298 7.337 1.00 2.23 C ATOM 325 C GLU A 33 5.791 -5.984 8.554 1.00 43.31 C ATOM 326 O GLU A 33 6.491 -6.621 9.341 1.00 2.32 O ATOM 327 CB GLU A 33 6.999 -6.345 6.393 1.00 63.50 C ATOM 328 CG GLU A 33 8.299 -6.951 6.895 1.00 22.22 C ATOM 329 CD GLU A 33 8.414 -8.430 6.580 1.00 33.12 C ATOM 330 OE1 GLU A 33 8.777 -8.767 5.434 1.00 54.31 O ATOM 331 OE2 GLU A 33 8.140 -9.251 7.481 1.00 3.21 O ATOM 0 H GLU A 33 8.313 -4.765 8.028 1.00 44.13 H new ATOM 0 HA GLU A 33 5.621 -4.751 6.814 1.00 2.23 H new ATOM 0 HB2 GLU A 33 6.270 -7.142 6.244 1.00 63.50 H new ATOM 0 HB3 GLU A 33 7.174 -5.887 5.420 1.00 63.50 H new ATOM 0 HG2 GLU A 33 9.139 -6.421 6.446 1.00 22.22 H new ATOM 0 HG3 GLU A 33 8.370 -6.806 7.973 1.00 22.22 H new ATOM 338 N VAL A 34 4.477 -5.848 8.701 1.00 2.23 N ATOM 339 CA VAL A 34 3.767 -6.454 9.821 1.00 73.12 C ATOM 340 C VAL A 34 3.451 -7.919 9.543 1.00 61.43 C ATOM 341 O VAL A 34 3.756 -8.440 8.469 1.00 45.51 O ATOM 342 CB VAL A 34 2.455 -5.706 10.124 1.00 32.31 C ATOM 343 CG1 VAL A 34 1.986 -6.004 11.540 1.00 14.32 C ATOM 344 CG2 VAL A 34 2.635 -4.210 9.916 1.00 35.13 C ATOM 0 H VAL A 34 3.883 -5.324 8.059 1.00 2.23 H new ATOM 0 HA VAL A 34 4.425 -6.385 10.688 1.00 73.12 H new ATOM 0 HB VAL A 34 1.689 -6.056 9.432 1.00 32.31 H new ATOM 0 HG11 VAL A 34 1.058 -5.467 11.736 1.00 14.32 H new ATOM 0 HG12 VAL A 34 1.816 -7.075 11.649 1.00 14.32 H new ATOM 0 HG13 VAL A 34 2.748 -5.684 12.251 1.00 14.32 H new ATOM 0 HG21 VAL A 34 1.698 -3.697 10.134 1.00 35.13 H new ATOM 0 HG22 VAL A 34 3.415 -3.841 10.582 1.00 35.13 H new ATOM 0 HG23 VAL A 34 2.921 -4.018 8.882 1.00 35.13 H new ATOM 354 N THR A 35 2.837 -8.582 10.518 1.00 75.23 N ATOM 355 CA THR A 35 2.479 -9.988 10.379 1.00 65.41 C ATOM 356 C THR A 35 1.045 -10.146 9.888 1.00 12.53 C ATOM 357 O THR A 35 0.800 -10.725 8.831 1.00 31.32 O ATOM 358 CB THR A 35 2.640 -10.743 11.712 1.00 14.12 C ATOM 359 OG1 THR A 35 1.726 -10.220 12.683 1.00 23.55 O ATOM 360 CG2 THR A 35 4.064 -10.625 12.233 1.00 10.01 C ATOM 0 H THR A 35 2.577 -8.167 11.413 1.00 75.23 H new ATOM 0 HA THR A 35 3.160 -10.415 9.643 1.00 65.41 H new ATOM 0 HB THR A 35 2.421 -11.796 11.537 1.00 14.12 H new ATOM 0 HG1 THR A 35 1.484 -10.926 13.318 1.00 23.55 H new ATOM 0 HG21 THR A 35 4.153 -11.166 13.175 1.00 10.01 H new ATOM 0 HG22 THR A 35 4.754 -11.050 11.504 1.00 10.01 H new ATOM 0 HG23 THR A 35 4.307 -9.575 12.394 1.00 10.01 H new ATOM 368 N GLY A 36 0.098 -9.624 10.663 1.00 25.24 N ATOM 369 CA GLY A 36 -1.301 -9.717 10.290 1.00 2.10 C ATOM 370 C GLY A 36 -2.224 -9.170 11.360 1.00 10.35 C ATOM 371 O GLY A 36 -2.924 -8.177 11.159 1.00 71.35 O ATOM 0 H GLY A 36 0.276 -9.139 11.542 1.00 25.24 H new ATOM 0 HA2 GLY A 36 -1.463 -9.171 9.361 1.00 2.10 H new ATOM 0 HA3 GLY A 36 -1.553 -10.759 10.095 1.00 2.10 H new ATOM 375 N PRO A 37 -2.235 -9.826 12.530 1.00 5.23 N ATOM 376 CA PRO A 37 -3.075 -9.417 13.659 1.00 35.54 C ATOM 377 C PRO A 37 -2.609 -8.108 14.286 1.00 23.11 C ATOM 378 O PRO A 37 -1.491 -7.655 14.040 1.00 24.24 O ATOM 379 CB PRO A 37 -2.920 -10.571 14.653 1.00 22.32 C ATOM 380 CG PRO A 37 -1.599 -11.177 14.326 1.00 63.40 C ATOM 381 CD PRO A 37 -1.426 -11.017 12.841 1.00 42.50 C ATOM 0 HA PRO A 37 -4.105 -9.234 13.354 1.00 35.54 H new ATOM 0 HB2 PRO A 37 -2.948 -10.213 15.682 1.00 22.32 H new ATOM 0 HB3 PRO A 37 -3.726 -11.297 14.546 1.00 22.32 H new ATOM 0 HG2 PRO A 37 -0.796 -10.678 14.868 1.00 63.40 H new ATOM 0 HG3 PRO A 37 -1.571 -12.229 14.611 1.00 63.40 H new ATOM 0 HD2 PRO A 37 -0.380 -10.874 12.571 1.00 42.50 H new ATOM 0 HD3 PRO A 37 -1.778 -11.895 12.299 1.00 42.50 H new ATOM 389 N ASP A 38 -3.471 -7.505 15.096 1.00 14.14 N ATOM 390 CA ASP A 38 -3.147 -6.248 15.760 1.00 45.41 C ATOM 391 C ASP A 38 -2.093 -6.461 16.842 1.00 0.24 C ATOM 392 O ASP A 38 -1.347 -5.544 17.185 1.00 21.23 O ATOM 393 CB ASP A 38 -4.405 -5.628 16.370 1.00 22.43 C ATOM 394 CG ASP A 38 -5.309 -6.665 17.009 1.00 42.44 C ATOM 395 OD1 ASP A 38 -5.078 -7.008 18.187 1.00 64.15 O ATOM 396 OD2 ASP A 38 -6.247 -7.133 16.330 1.00 51.31 O ATOM 0 H ASP A 38 -4.401 -7.867 15.309 1.00 14.14 H new ATOM 0 HA ASP A 38 -2.742 -5.565 15.013 1.00 45.41 H new ATOM 0 HB2 ASP A 38 -4.117 -4.890 17.119 1.00 22.43 H new ATOM 0 HB3 ASP A 38 -4.957 -5.096 15.595 1.00 22.43 H new ATOM 401 N ALA A 39 -2.039 -7.676 17.377 1.00 32.23 N ATOM 402 CA ALA A 39 -1.077 -8.010 18.420 1.00 1.10 C ATOM 403 C ALA A 39 0.349 -7.715 17.966 1.00 32.40 C ATOM 404 O ALA A 39 1.134 -7.117 18.702 1.00 34.10 O ATOM 405 CB ALA A 39 -1.215 -9.472 18.817 1.00 21.21 C ATOM 0 H ALA A 39 -2.650 -8.446 17.105 1.00 32.23 H new ATOM 0 HA ALA A 39 -1.290 -7.388 19.289 1.00 1.10 H new ATOM 0 HB1 ALA A 39 -0.490 -9.707 19.597 1.00 21.21 H new ATOM 0 HB2 ALA A 39 -2.223 -9.654 19.191 1.00 21.21 H new ATOM 0 HB3 ALA A 39 -1.031 -10.104 17.948 1.00 21.21 H new ATOM 411 N ASP A 40 0.677 -8.140 16.751 1.00 42.22 N ATOM 412 CA ASP A 40 2.009 -7.921 16.199 1.00 60.05 C ATOM 413 C ASP A 40 2.147 -6.501 15.659 1.00 1.33 C ATOM 414 O ASP A 40 3.175 -5.850 15.852 1.00 74.43 O ATOM 415 CB ASP A 40 2.296 -8.932 15.087 1.00 11.12 C ATOM 416 CG ASP A 40 3.275 -10.005 15.520 1.00 64.25 C ATOM 417 OD1 ASP A 40 4.497 -9.770 15.414 1.00 21.04 O ATOM 418 OD2 ASP A 40 2.820 -11.081 15.962 1.00 2.12 O ATOM 0 H ASP A 40 0.039 -8.638 16.130 1.00 42.22 H new ATOM 0 HA ASP A 40 2.734 -8.058 17.001 1.00 60.05 H new ATOM 0 HB2 ASP A 40 1.362 -9.400 14.776 1.00 11.12 H new ATOM 0 HB3 ASP A 40 2.695 -8.409 14.218 1.00 11.12 H new ATOM 423 N ARG A 41 1.106 -6.026 14.983 1.00 63.33 N ATOM 424 CA ARG A 41 1.113 -4.684 14.414 1.00 75.04 C ATOM 425 C ARG A 41 1.297 -3.632 15.504 1.00 74.24 C ATOM 426 O ARG A 41 1.982 -2.630 15.304 1.00 64.24 O ATOM 427 CB ARG A 41 -0.189 -4.423 13.653 1.00 20.51 C ATOM 428 CG ARG A 41 -1.215 -3.637 14.453 1.00 44.44 C ATOM 429 CD ARG A 41 -2.468 -3.364 13.636 1.00 42.24 C ATOM 430 NE ARG A 41 -2.913 -4.547 12.905 1.00 72.21 N ATOM 431 CZ ARG A 41 -4.180 -4.774 12.576 1.00 31.44 C ATOM 432 NH1 ARG A 41 -5.122 -3.903 12.911 1.00 22.34 N ATOM 433 NH2 ARG A 41 -4.507 -5.875 11.911 1.00 51.33 N ATOM 0 H ARG A 41 0.247 -6.551 14.816 1.00 63.33 H new ATOM 0 HA ARG A 41 1.951 -4.615 13.721 1.00 75.04 H new ATOM 0 HB2 ARG A 41 0.039 -3.879 12.736 1.00 20.51 H new ATOM 0 HB3 ARG A 41 -0.625 -5.377 13.357 1.00 20.51 H new ATOM 0 HG2 ARG A 41 -1.480 -4.193 15.353 1.00 44.44 H new ATOM 0 HG3 ARG A 41 -0.779 -2.693 14.778 1.00 44.44 H new ATOM 0 HD2 ARG A 41 -3.265 -3.025 14.297 1.00 42.24 H new ATOM 0 HD3 ARG A 41 -2.273 -2.555 12.932 1.00 42.24 H new ATOM 0 HE ARG A 41 -2.213 -5.237 12.632 1.00 72.21 H new ATOM 0 HH11 ARG A 41 -4.875 -3.056 13.423 1.00 22.34 H new ATOM 0 HH12 ARG A 41 -6.094 -4.080 12.657 1.00 22.34 H new ATOM 0 HH21 ARG A 41 -3.785 -6.548 11.652 1.00 51.33 H new ATOM 0 HH22 ARG A 41 -5.480 -6.048 11.659 1.00 51.33 H new ATOM 447 N ALA A 42 0.679 -3.868 16.656 1.00 13.25 N ATOM 448 CA ALA A 42 0.776 -2.942 17.778 1.00 34.12 C ATOM 449 C ALA A 42 2.214 -2.823 18.269 1.00 24.12 C ATOM 450 O ALA A 42 2.640 -1.760 18.722 1.00 33.31 O ATOM 451 CB ALA A 42 -0.136 -3.389 18.912 1.00 63.34 C ATOM 0 H ALA A 42 0.106 -4.692 16.837 1.00 13.25 H new ATOM 0 HA ALA A 42 0.455 -1.959 17.434 1.00 34.12 H new ATOM 0 HB1 ALA A 42 -0.053 -2.688 19.743 1.00 63.34 H new ATOM 0 HB2 ALA A 42 -1.167 -3.415 18.561 1.00 63.34 H new ATOM 0 HB3 ALA A 42 0.159 -4.384 19.246 1.00 63.34 H new ATOM 457 N ARG A 43 2.959 -3.920 18.177 1.00 72.20 N ATOM 458 CA ARG A 43 4.350 -3.939 18.614 1.00 54.42 C ATOM 459 C ARG A 43 5.256 -3.292 17.570 1.00 12.35 C ATOM 460 O ARG A 43 6.187 -2.562 17.910 1.00 53.35 O ATOM 461 CB ARG A 43 4.804 -5.375 18.879 1.00 30.03 C ATOM 462 CG ARG A 43 5.602 -5.982 17.737 1.00 21.31 C ATOM 463 CD ARG A 43 5.628 -7.500 17.821 1.00 74.52 C ATOM 464 NE ARG A 43 6.860 -8.058 17.270 1.00 31.33 N ATOM 465 CZ ARG A 43 7.169 -8.025 15.979 1.00 40.12 C ATOM 466 NH1 ARG A 43 6.340 -7.463 15.110 1.00 43.23 N ATOM 467 NH2 ARG A 43 8.310 -8.554 15.554 1.00 15.14 N ATOM 0 H ARG A 43 2.622 -4.807 17.804 1.00 72.20 H new ATOM 0 HA ARG A 43 4.422 -3.366 19.539 1.00 54.42 H new ATOM 0 HB2 ARG A 43 5.410 -5.394 19.785 1.00 30.03 H new ATOM 0 HB3 ARG A 43 3.928 -5.995 19.068 1.00 30.03 H new ATOM 0 HG2 ARG A 43 5.167 -5.677 16.785 1.00 21.31 H new ATOM 0 HG3 ARG A 43 6.622 -5.598 17.760 1.00 21.31 H new ATOM 0 HD2 ARG A 43 5.525 -7.807 18.862 1.00 74.52 H new ATOM 0 HD3 ARG A 43 4.773 -7.908 17.282 1.00 74.52 H new ATOM 0 HE ARG A 43 7.519 -8.497 17.912 1.00 31.33 H new ATOM 0 HH11 ARG A 43 5.463 -7.055 15.433 1.00 43.23 H new ATOM 0 HH12 ARG A 43 6.580 -7.439 14.119 1.00 43.23 H new ATOM 0 HH21 ARG A 43 8.951 -8.987 16.219 1.00 15.14 H new ATOM 0 HH22 ARG A 43 8.546 -8.528 14.562 1.00 15.14 H new ATOM 481 N ALA A 44 4.977 -3.566 16.300 1.00 13.43 N ATOM 482 CA ALA A 44 5.765 -3.009 15.208 1.00 62.52 C ATOM 483 C ALA A 44 5.388 -1.556 14.943 1.00 75.14 C ATOM 484 O ALA A 44 6.227 -0.661 15.030 1.00 44.14 O ATOM 485 CB ALA A 44 5.583 -3.843 13.948 1.00 54.42 C ATOM 0 H ALA A 44 4.211 -4.170 16.002 1.00 13.43 H new ATOM 0 HA ALA A 44 6.815 -3.036 15.500 1.00 62.52 H new ATOM 0 HB1 ALA A 44 6.177 -3.416 13.140 1.00 54.42 H new ATOM 0 HB2 ALA A 44 5.910 -4.865 14.138 1.00 54.42 H new ATOM 0 HB3 ALA A 44 4.531 -3.846 13.662 1.00 54.42 H new ATOM 491 N ALA A 45 4.119 -1.329 14.618 1.00 11.01 N ATOM 492 CA ALA A 45 3.630 0.016 14.342 1.00 42.15 C ATOM 493 C ALA A 45 3.935 0.960 15.500 1.00 71.11 C ATOM 494 O ALA A 45 3.958 2.179 15.330 1.00 31.43 O ATOM 495 CB ALA A 45 2.135 -0.013 14.061 1.00 1.21 C ATOM 0 H ALA A 45 3.411 -2.059 14.540 1.00 11.01 H new ATOM 0 HA ALA A 45 4.147 0.389 13.458 1.00 42.15 H new ATOM 0 HB1 ALA A 45 1.784 0.998 13.857 1.00 1.21 H new ATOM 0 HB2 ALA A 45 1.940 -0.647 13.196 1.00 1.21 H new ATOM 0 HB3 ALA A 45 1.609 -0.411 14.929 1.00 1.21 H new ATOM 501 N ALA A 46 4.168 0.389 16.677 1.00 34.30 N ATOM 502 CA ALA A 46 4.472 1.179 17.863 1.00 1.40 C ATOM 503 C ALA A 46 5.760 1.975 17.677 1.00 73.22 C ATOM 504 O ALA A 46 5.727 3.163 17.356 1.00 75.12 O ATOM 505 CB ALA A 46 4.578 0.279 19.085 1.00 73.01 C ATOM 0 H ALA A 46 4.152 -0.619 16.834 1.00 34.30 H new ATOM 0 HA ALA A 46 3.657 1.886 18.016 1.00 1.40 H new ATOM 0 HB1 ALA A 46 4.805 0.883 19.963 1.00 73.01 H new ATOM 0 HB2 ALA A 46 3.632 -0.241 19.237 1.00 73.01 H new ATOM 0 HB3 ALA A 46 5.373 -0.451 18.931 1.00 73.01 H new ATOM 511 N VAL A 47 6.894 1.312 17.881 1.00 51.30 N ATOM 512 CA VAL A 47 8.193 1.958 17.735 1.00 21.31 C ATOM 513 C VAL A 47 8.919 1.457 16.491 1.00 10.05 C ATOM 514 O VAL A 47 9.834 2.110 15.990 1.00 14.22 O ATOM 515 CB VAL A 47 9.083 1.714 18.969 1.00 72.45 C ATOM 516 CG1 VAL A 47 10.425 2.410 18.805 1.00 22.21 C ATOM 517 CG2 VAL A 47 8.380 2.183 20.233 1.00 12.13 C ATOM 0 H VAL A 47 6.939 0.329 18.148 1.00 51.30 H new ATOM 0 HA VAL A 47 8.006 3.027 17.637 1.00 21.31 H new ATOM 0 HB VAL A 47 9.265 0.643 19.059 1.00 72.45 H new ATOM 0 HG11 VAL A 47 11.040 2.227 19.686 1.00 22.21 H new ATOM 0 HG12 VAL A 47 10.931 2.021 17.922 1.00 22.21 H new ATOM 0 HG13 VAL A 47 10.267 3.482 18.690 1.00 22.21 H new ATOM 0 HG21 VAL A 47 9.023 2.003 21.095 1.00 12.13 H new ATOM 0 HG22 VAL A 47 8.166 3.249 20.156 1.00 12.13 H new ATOM 0 HG23 VAL A 47 7.447 1.633 20.355 1.00 12.13 H new ATOM 527 N GLN A 48 8.504 0.294 15.999 1.00 41.43 N ATOM 528 CA GLN A 48 9.116 -0.294 14.813 1.00 55.10 C ATOM 529 C GLN A 48 8.779 0.518 13.567 1.00 52.31 C ATOM 530 O GLN A 48 9.584 0.615 12.641 1.00 12.42 O ATOM 531 CB GLN A 48 8.647 -1.739 14.636 1.00 65.41 C ATOM 532 CG GLN A 48 9.657 -2.623 13.921 1.00 5.33 C ATOM 533 CD GLN A 48 10.587 -3.341 14.880 1.00 14.53 C ATOM 534 OE1 GLN A 48 11.291 -2.710 15.669 1.00 23.00 O ATOM 535 NE2 GLN A 48 10.593 -4.667 14.818 1.00 53.02 N ATOM 0 H GLN A 48 7.748 -0.259 16.402 1.00 41.43 H new ATOM 0 HA GLN A 48 10.197 -0.284 14.950 1.00 55.10 H new ATOM 0 HB2 GLN A 48 8.433 -2.165 15.616 1.00 65.41 H new ATOM 0 HB3 GLN A 48 7.712 -1.743 14.076 1.00 65.41 H new ATOM 0 HG2 GLN A 48 9.126 -3.359 13.316 1.00 5.33 H new ATOM 0 HG3 GLN A 48 10.247 -2.014 13.237 1.00 5.33 H new ATOM 0 HE21 GLN A 48 9.993 -5.149 14.149 1.00 53.02 H new ATOM 0 HE22 GLN A 48 11.198 -5.204 15.440 1.00 53.02 H new ATOM 544 N ALA A 49 7.584 1.100 13.551 1.00 72.34 N ATOM 545 CA ALA A 49 7.141 1.905 12.419 1.00 24.10 C ATOM 546 C ALA A 49 7.154 3.390 12.764 1.00 53.31 C ATOM 547 O ALA A 49 6.777 4.231 11.947 1.00 63.20 O ATOM 548 CB ALA A 49 5.750 1.475 11.977 1.00 3.23 C ATOM 0 H ALA A 49 6.905 1.029 14.309 1.00 72.34 H new ATOM 0 HA ALA A 49 7.837 1.744 11.596 1.00 24.10 H new ATOM 0 HB1 ALA A 49 5.432 2.085 11.131 1.00 3.23 H new ATOM 0 HB2 ALA A 49 5.770 0.426 11.681 1.00 3.23 H new ATOM 0 HB3 ALA A 49 5.050 1.606 12.802 1.00 3.23 H new ATOM 554 N VAL A 50 7.588 3.707 13.980 1.00 50.23 N ATOM 555 CA VAL A 50 7.649 5.092 14.433 1.00 65.34 C ATOM 556 C VAL A 50 9.022 5.698 14.163 1.00 22.40 C ATOM 557 O VAL A 50 9.248 6.894 14.349 1.00 73.34 O ATOM 558 CB VAL A 50 7.337 5.205 15.937 1.00 61.44 C ATOM 559 CG1 VAL A 50 8.623 5.278 16.745 1.00 23.23 C ATOM 560 CG2 VAL A 50 6.457 6.415 16.208 1.00 2.52 C ATOM 0 H VAL A 50 7.902 3.024 14.669 1.00 50.23 H new ATOM 0 HA VAL A 50 6.895 5.643 13.871 1.00 65.34 H new ATOM 0 HB VAL A 50 6.793 4.312 16.246 1.00 61.44 H new ATOM 0 HG11 VAL A 50 8.383 5.358 17.805 1.00 23.23 H new ATOM 0 HG12 VAL A 50 9.212 4.377 16.573 1.00 23.23 H new ATOM 0 HG13 VAL A 50 9.197 6.152 16.437 1.00 23.23 H new ATOM 0 HG21 VAL A 50 6.246 6.480 17.275 1.00 2.52 H new ATOM 0 HG22 VAL A 50 6.972 7.319 15.884 1.00 2.52 H new ATOM 0 HG23 VAL A 50 5.521 6.314 15.659 1.00 2.52 H new ATOM 570 N PRO A 51 9.963 4.854 13.714 1.00 44.23 N ATOM 571 CA PRO A 51 11.331 5.284 13.408 1.00 51.35 C ATOM 572 C PRO A 51 11.396 6.172 12.169 1.00 31.31 C ATOM 573 O PRO A 51 12.304 6.989 12.026 1.00 1.12 O ATOM 574 CB PRO A 51 12.070 3.967 13.161 1.00 63.12 C ATOM 575 CG PRO A 51 11.010 3.013 12.730 1.00 65.31 C ATOM 576 CD PRO A 51 9.765 3.416 13.469 1.00 32.45 C ATOM 0 HA PRO A 51 11.759 5.884 14.211 1.00 51.35 H new ATOM 0 HB2 PRO A 51 12.836 4.081 12.394 1.00 63.12 H new ATOM 0 HB3 PRO A 51 12.572 3.619 14.064 1.00 63.12 H new ATOM 0 HG2 PRO A 51 10.857 3.061 11.652 1.00 65.31 H new ATOM 0 HG3 PRO A 51 11.289 1.986 12.967 1.00 65.31 H new ATOM 0 HD2 PRO A 51 8.869 3.229 12.878 1.00 32.45 H new ATOM 0 HD3 PRO A 51 9.654 2.861 14.401 1.00 32.45 H new ATOM 584 N GLY A 52 10.425 6.005 11.275 1.00 4.15 N ATOM 585 CA GLY A 52 10.391 6.798 10.061 1.00 44.42 C ATOM 586 C GLY A 52 9.829 8.187 10.291 1.00 53.02 C ATOM 587 O GLY A 52 10.514 9.186 10.076 1.00 24.43 O ATOM 0 H GLY A 52 9.662 5.335 11.371 1.00 4.15 H new ATOM 0 HA2 GLY A 52 11.400 6.880 9.656 1.00 44.42 H new ATOM 0 HA3 GLY A 52 9.788 6.285 9.312 1.00 44.42 H new ATOM 591 N GLY A 53 8.574 8.251 10.728 1.00 65.04 N ATOM 592 CA GLY A 53 7.941 9.532 10.978 1.00 55.24 C ATOM 593 C GLY A 53 6.798 9.430 11.968 1.00 11.25 C ATOM 594 O GLY A 53 6.558 10.352 12.749 1.00 22.13 O ATOM 0 H GLY A 53 7.986 7.439 10.913 1.00 65.04 H new ATOM 0 HA2 GLY A 53 8.684 10.233 11.357 1.00 55.24 H new ATOM 0 HA3 GLY A 53 7.568 9.939 10.038 1.00 55.24 H new ATOM 598 N THR A 54 6.088 8.307 11.937 1.00 21.54 N ATOM 599 CA THR A 54 4.963 8.088 12.837 1.00 14.33 C ATOM 600 C THR A 54 4.820 6.612 13.191 1.00 14.50 C ATOM 601 O THR A 54 5.324 5.743 12.481 1.00 30.24 O ATOM 602 CB THR A 54 3.643 8.586 12.218 1.00 42.33 C ATOM 603 OG1 THR A 54 3.901 9.680 11.330 1.00 31.01 O ATOM 604 CG2 THR A 54 2.668 9.024 13.300 1.00 23.13 C ATOM 0 H THR A 54 6.273 7.534 11.297 1.00 21.54 H new ATOM 0 HA THR A 54 5.169 8.657 13.743 1.00 14.33 H new ATOM 0 HB THR A 54 3.196 7.763 11.661 1.00 42.33 H new ATOM 0 HG1 THR A 54 3.076 10.189 11.190 1.00 31.01 H new ATOM 0 HG21 THR A 54 1.744 9.371 12.838 1.00 23.13 H new ATOM 0 HG22 THR A 54 2.451 8.182 13.957 1.00 23.13 H new ATOM 0 HG23 THR A 54 3.109 9.833 13.882 1.00 23.13 H new ATOM 612 N ALA A 55 4.128 6.337 14.292 1.00 23.02 N ATOM 613 CA ALA A 55 3.917 4.966 14.738 1.00 33.52 C ATOM 614 C ALA A 55 2.928 4.240 13.832 1.00 60.11 C ATOM 615 O ALA A 55 1.797 3.961 14.228 1.00 42.10 O ATOM 616 CB ALA A 55 3.426 4.949 16.178 1.00 21.43 C ATOM 0 H ALA A 55 3.704 7.046 14.891 1.00 23.02 H new ATOM 0 HA ALA A 55 4.871 4.442 14.685 1.00 33.52 H new ATOM 0 HB1 ALA A 55 3.273 3.918 16.498 1.00 21.43 H new ATOM 0 HB2 ALA A 55 4.168 5.422 16.821 1.00 21.43 H new ATOM 0 HB3 ALA A 55 2.485 5.495 16.248 1.00 21.43 H new ATOM 622 N GLY A 56 3.362 3.937 12.612 1.00 4.02 N ATOM 623 CA GLY A 56 2.502 3.247 11.669 1.00 43.24 C ATOM 624 C GLY A 56 3.281 2.371 10.708 1.00 61.23 C ATOM 625 O GLY A 56 4.032 2.872 9.871 1.00 21.44 O ATOM 0 H GLY A 56 4.294 4.157 12.260 1.00 4.02 H new ATOM 0 HA2 GLY A 56 1.786 2.634 12.216 1.00 43.24 H new ATOM 0 HA3 GLY A 56 1.927 3.980 11.103 1.00 43.24 H new ATOM 629 N GLU A 57 3.103 1.059 10.829 1.00 61.04 N ATOM 630 CA GLU A 57 3.798 0.112 9.965 1.00 71.33 C ATOM 631 C GLU A 57 2.897 -0.342 8.819 1.00 4.51 C ATOM 632 O GLU A 57 1.823 0.219 8.600 1.00 63.22 O ATOM 633 CB GLU A 57 4.264 -1.102 10.772 1.00 43.41 C ATOM 634 CG GLU A 57 5.689 -1.528 10.462 1.00 44.24 C ATOM 635 CD GLU A 57 6.049 -2.861 11.087 1.00 32.35 C ATOM 636 OE1 GLU A 57 5.210 -3.785 11.036 1.00 62.41 O ATOM 637 OE2 GLU A 57 7.168 -2.981 11.629 1.00 73.02 O ATOM 0 H GLU A 57 2.484 0.628 11.516 1.00 61.04 H new ATOM 0 HA GLU A 57 4.668 0.616 9.544 1.00 71.33 H new ATOM 0 HB2 GLU A 57 4.185 -0.873 11.835 1.00 43.41 H new ATOM 0 HB3 GLU A 57 3.593 -1.938 10.575 1.00 43.41 H new ATOM 0 HG2 GLU A 57 5.818 -1.591 9.382 1.00 44.24 H new ATOM 0 HG3 GLU A 57 6.379 -0.764 10.822 1.00 44.24 H new ATOM 644 N VAL A 58 3.344 -1.360 8.091 1.00 53.03 N ATOM 645 CA VAL A 58 2.579 -1.890 6.968 1.00 42.31 C ATOM 646 C VAL A 58 2.518 -3.412 7.014 1.00 24.31 C ATOM 647 O VAL A 58 3.548 -4.085 6.991 1.00 44.01 O ATOM 648 CB VAL A 58 3.184 -1.452 5.621 1.00 51.33 C ATOM 649 CG1 VAL A 58 2.309 -1.916 4.466 1.00 12.43 C ATOM 650 CG2 VAL A 58 3.370 0.058 5.586 1.00 20.34 C ATOM 0 H VAL A 58 4.231 -1.834 8.258 1.00 53.03 H new ATOM 0 HA VAL A 58 1.570 -1.486 7.054 1.00 42.31 H new ATOM 0 HB VAL A 58 4.163 -1.919 5.514 1.00 51.33 H new ATOM 0 HG11 VAL A 58 2.752 -1.597 3.523 1.00 12.43 H new ATOM 0 HG12 VAL A 58 2.232 -3.003 4.482 1.00 12.43 H new ATOM 0 HG13 VAL A 58 1.315 -1.480 4.565 1.00 12.43 H new ATOM 0 HG21 VAL A 58 3.798 0.350 4.627 1.00 20.34 H new ATOM 0 HG22 VAL A 58 2.404 0.547 5.716 1.00 20.34 H new ATOM 0 HG23 VAL A 58 4.041 0.361 6.390 1.00 20.34 H new ATOM 660 N GLU A 59 1.304 -3.949 7.079 1.00 12.01 N ATOM 661 CA GLU A 59 1.109 -5.393 7.129 1.00 63.22 C ATOM 662 C GLU A 59 0.971 -5.972 5.724 1.00 65.43 C ATOM 663 O GLU A 59 0.638 -5.261 4.776 1.00 50.43 O ATOM 664 CB GLU A 59 -0.131 -5.735 7.957 1.00 12.10 C ATOM 665 CG GLU A 59 -0.272 -7.217 8.259 1.00 73.44 C ATOM 666 CD GLU A 59 -1.145 -7.938 7.249 1.00 11.42 C ATOM 667 OE1 GLU A 59 -2.140 -7.339 6.790 1.00 43.43 O ATOM 668 OE2 GLU A 59 -0.833 -9.101 6.919 1.00 44.22 O ATOM 0 H GLU A 59 0.441 -3.406 7.098 1.00 12.01 H new ATOM 0 HA GLU A 59 1.986 -5.836 7.602 1.00 63.22 H new ATOM 0 HB2 GLU A 59 -0.094 -5.183 8.896 1.00 12.10 H new ATOM 0 HB3 GLU A 59 -1.019 -5.396 7.423 1.00 12.10 H new ATOM 0 HG2 GLU A 59 0.716 -7.677 8.273 1.00 73.44 H new ATOM 0 HG3 GLU A 59 -0.696 -7.342 9.255 1.00 73.44 H new ATOM 675 N THR A 60 1.231 -7.270 5.597 1.00 64.04 N ATOM 676 CA THR A 60 1.139 -7.946 4.309 1.00 54.54 C ATOM 677 C THR A 60 0.473 -9.310 4.450 1.00 44.21 C ATOM 678 O THR A 60 1.042 -10.229 5.038 1.00 14.14 O ATOM 679 CB THR A 60 2.528 -8.128 3.669 1.00 72.23 C ATOM 680 OG1 THR A 60 2.444 -9.039 2.567 1.00 53.32 O ATOM 681 CG2 THR A 60 3.529 -8.649 4.688 1.00 20.35 C ATOM 0 H THR A 60 1.507 -7.874 6.371 1.00 64.04 H new ATOM 0 HA THR A 60 0.530 -7.313 3.663 1.00 54.54 H new ATOM 0 HB THR A 60 2.869 -7.156 3.312 1.00 72.23 H new ATOM 0 HG1 THR A 60 3.331 -9.148 2.165 1.00 53.32 H new ATOM 0 HG21 THR A 60 4.503 -8.770 4.213 1.00 20.35 H new ATOM 0 HG22 THR A 60 3.612 -7.940 5.512 1.00 20.35 H new ATOM 0 HG23 THR A 60 3.191 -9.612 5.071 1.00 20.35 H new ATOM 689 N GLU A 61 -0.733 -9.434 3.906 1.00 72.13 N ATOM 690 CA GLU A 61 -1.475 -10.688 3.972 1.00 0.32 C ATOM 691 C GLU A 61 -2.175 -10.977 2.647 1.00 2.32 C ATOM 692 O GLU A 61 -2.235 -10.121 1.764 1.00 72.15 O ATOM 693 CB GLU A 61 -2.503 -10.638 5.104 1.00 30.34 C ATOM 694 CG GLU A 61 -2.183 -11.574 6.258 1.00 34.00 C ATOM 695 CD GLU A 61 -3.180 -12.710 6.381 1.00 62.43 C ATOM 696 OE1 GLU A 61 -3.206 -13.577 5.482 1.00 23.23 O ATOM 697 OE2 GLU A 61 -3.934 -12.733 7.376 1.00 2.41 O ATOM 0 H GLU A 61 -1.217 -8.682 3.415 1.00 72.13 H new ATOM 0 HA GLU A 61 -0.765 -11.491 4.170 1.00 0.32 H new ATOM 0 HB2 GLU A 61 -2.566 -9.617 5.482 1.00 30.34 H new ATOM 0 HB3 GLU A 61 -3.485 -10.891 4.704 1.00 30.34 H new ATOM 0 HG2 GLU A 61 -1.183 -11.986 6.120 1.00 34.00 H new ATOM 0 HG3 GLU A 61 -2.168 -11.006 7.188 1.00 34.00 H new ATOM 704 N THR A 62 -2.703 -12.190 2.516 1.00 44.23 N ATOM 705 CA THR A 62 -3.397 -12.594 1.299 1.00 4.44 C ATOM 706 C THR A 62 -4.859 -12.917 1.582 1.00 12.33 C ATOM 707 O THR A 62 -5.207 -13.361 2.676 1.00 43.33 O ATOM 708 CB THR A 62 -2.728 -13.821 0.652 1.00 45.20 C ATOM 709 OG1 THR A 62 -1.602 -14.235 1.435 1.00 73.24 O ATOM 710 CG2 THR A 62 -2.277 -13.506 -0.766 1.00 42.14 C ATOM 0 H THR A 62 -2.663 -12.910 3.238 1.00 44.23 H new ATOM 0 HA THR A 62 -3.341 -11.752 0.609 1.00 4.44 H new ATOM 0 HB THR A 62 -3.460 -14.628 0.613 1.00 45.20 H new ATOM 0 HG1 THR A 62 -1.183 -15.017 1.018 1.00 73.24 H new ATOM 0 HG21 THR A 62 -1.807 -14.387 -1.203 1.00 42.14 H new ATOM 0 HG22 THR A 62 -3.140 -13.219 -1.367 1.00 42.14 H new ATOM 0 HG23 THR A 62 -1.560 -12.685 -0.746 1.00 42.14 H new ATOM 718 N GLY A 63 -5.713 -12.691 0.589 1.00 74.34 N ATOM 719 CA GLY A 63 -7.129 -12.965 0.751 1.00 13.20 C ATOM 720 C GLY A 63 -7.692 -13.801 -0.381 1.00 61.30 C ATOM 721 O GLY A 63 -6.963 -14.555 -1.025 1.00 40.23 O ATOM 0 H GLY A 63 -5.450 -12.323 -0.325 1.00 74.34 H new ATOM 0 HA2 GLY A 63 -7.289 -13.484 1.696 1.00 13.20 H new ATOM 0 HA3 GLY A 63 -7.674 -12.023 0.808 1.00 13.20 H new ATOM 725 N GLU A 64 -8.993 -13.670 -0.622 1.00 45.34 N ATOM 726 CA GLU A 64 -9.652 -14.422 -1.683 1.00 62.31 C ATOM 727 C GLU A 64 -9.379 -13.794 -3.047 1.00 13.44 C ATOM 728 O GLU A 64 -9.451 -14.463 -4.076 1.00 50.34 O ATOM 729 CB GLU A 64 -11.160 -14.487 -1.431 1.00 63.14 C ATOM 730 CG GLU A 64 -11.841 -15.660 -2.116 1.00 32.23 C ATOM 731 CD GLU A 64 -13.326 -15.432 -2.324 1.00 43.21 C ATOM 732 OE1 GLU A 64 -13.783 -14.287 -2.124 1.00 31.02 O ATOM 733 OE2 GLU A 64 -14.030 -16.397 -2.687 1.00 21.12 O ATOM 0 H GLU A 64 -9.611 -13.051 -0.097 1.00 45.34 H new ATOM 0 HA GLU A 64 -9.247 -15.434 -1.682 1.00 62.31 H new ATOM 0 HB2 GLU A 64 -11.338 -14.551 -0.358 1.00 63.14 H new ATOM 0 HB3 GLU A 64 -11.618 -13.560 -1.776 1.00 63.14 H new ATOM 0 HG2 GLU A 64 -11.366 -15.838 -3.081 1.00 32.23 H new ATOM 0 HG3 GLU A 64 -11.696 -16.560 -1.518 1.00 32.23 H new ATOM 740 N GLY A 65 -9.067 -12.501 -3.044 1.00 64.21 N ATOM 741 CA GLY A 65 -8.789 -11.803 -4.285 1.00 43.25 C ATOM 742 C GLY A 65 -7.306 -11.730 -4.591 1.00 23.44 C ATOM 743 O GLY A 65 -6.665 -12.752 -4.837 1.00 33.02 O ATOM 0 H GLY A 65 -9.002 -11.925 -2.204 1.00 64.21 H new ATOM 0 HA2 GLY A 65 -9.301 -12.307 -5.104 1.00 43.25 H new ATOM 0 HA3 GLY A 65 -9.195 -10.793 -4.229 1.00 43.25 H new ATOM 747 N ALA A 66 -6.759 -10.519 -4.576 1.00 64.42 N ATOM 748 CA ALA A 66 -5.342 -10.318 -4.853 1.00 42.22 C ATOM 749 C ALA A 66 -4.608 -9.809 -3.617 1.00 63.41 C ATOM 750 O ALA A 66 -3.924 -10.570 -2.933 1.00 63.12 O ATOM 751 CB ALA A 66 -5.163 -9.348 -6.012 1.00 13.23 C ATOM 0 H ALA A 66 -7.275 -9.663 -4.375 1.00 64.42 H new ATOM 0 HA ALA A 66 -4.911 -11.280 -5.129 1.00 42.22 H new ATOM 0 HB1 ALA A 66 -4.100 -9.207 -6.208 1.00 13.23 H new ATOM 0 HB2 ALA A 66 -5.646 -9.752 -6.902 1.00 13.23 H new ATOM 0 HB3 ALA A 66 -5.615 -8.389 -5.757 1.00 13.23 H new ATOM 757 N ALA A 67 -4.754 -8.518 -3.337 1.00 62.51 N ATOM 758 CA ALA A 67 -4.105 -7.909 -2.183 1.00 35.15 C ATOM 759 C ALA A 67 -4.978 -8.026 -0.938 1.00 32.45 C ATOM 760 O ALA A 67 -6.197 -7.867 -1.005 1.00 4.01 O ATOM 761 CB ALA A 67 -3.783 -6.450 -2.468 1.00 3.24 C ATOM 0 H ALA A 67 -5.316 -7.874 -3.894 1.00 62.51 H new ATOM 0 HA ALA A 67 -3.175 -8.445 -1.995 1.00 35.15 H new ATOM 0 HB1 ALA A 67 -3.299 -6.008 -1.598 1.00 3.24 H new ATOM 0 HB2 ALA A 67 -3.115 -6.386 -3.327 1.00 3.24 H new ATOM 0 HB3 ALA A 67 -4.705 -5.910 -2.684 1.00 3.24 H new ATOM 767 N ALA A 68 -4.347 -8.307 0.198 1.00 42.42 N ATOM 768 CA ALA A 68 -5.066 -8.444 1.458 1.00 10.12 C ATOM 769 C ALA A 68 -4.156 -8.145 2.645 1.00 52.12 C ATOM 770 O ALA A 68 -3.746 -9.052 3.369 1.00 65.23 O ATOM 771 CB ALA A 68 -5.654 -9.842 1.581 1.00 52.34 C ATOM 0 H ALA A 68 -3.339 -8.444 0.271 1.00 42.42 H new ATOM 0 HA ALA A 68 -5.879 -7.718 1.465 1.00 10.12 H new ATOM 0 HB1 ALA A 68 -6.188 -9.930 2.527 1.00 52.34 H new ATOM 0 HB2 ALA A 68 -6.344 -10.020 0.756 1.00 52.34 H new ATOM 0 HB3 ALA A 68 -4.851 -10.579 1.548 1.00 52.34 H new ATOM 777 N TYR A 69 -3.844 -6.868 2.838 1.00 34.22 N ATOM 778 CA TYR A 69 -2.980 -6.450 3.936 1.00 71.34 C ATOM 779 C TYR A 69 -3.585 -5.267 4.685 1.00 31.23 C ATOM 780 O TYR A 69 -4.726 -4.878 4.438 1.00 65.14 O ATOM 781 CB TYR A 69 -1.594 -6.079 3.407 1.00 5.44 C ATOM 782 CG TYR A 69 -1.585 -4.831 2.553 1.00 34.12 C ATOM 783 CD1 TYR A 69 -2.165 -4.826 1.291 1.00 53.23 C ATOM 784 CD2 TYR A 69 -0.998 -3.657 3.009 1.00 33.13 C ATOM 785 CE1 TYR A 69 -2.159 -3.689 0.507 1.00 53.54 C ATOM 786 CE2 TYR A 69 -0.989 -2.515 2.233 1.00 40.43 C ATOM 787 CZ TYR A 69 -1.570 -2.535 0.982 1.00 32.50 C ATOM 788 OH TYR A 69 -1.563 -1.400 0.205 1.00 75.04 O ATOM 0 H TYR A 69 -4.176 -6.105 2.249 1.00 34.22 H new ATOM 0 HA TYR A 69 -2.886 -7.285 4.630 1.00 71.34 H new ATOM 0 HB2 TYR A 69 -0.919 -5.936 4.251 1.00 5.44 H new ATOM 0 HB3 TYR A 69 -1.203 -6.912 2.823 1.00 5.44 H new ATOM 0 HD1 TYR A 69 -2.629 -5.727 0.916 1.00 53.23 H new ATOM 0 HD2 TYR A 69 -0.541 -3.637 3.987 1.00 33.13 H new ATOM 0 HE1 TYR A 69 -2.613 -3.703 -0.473 1.00 53.54 H new ATOM 0 HE2 TYR A 69 -0.529 -1.611 2.604 1.00 40.43 H new ATOM 0 HH TYR A 69 -0.662 -1.014 0.197 1.00 75.04 H new ATOM 798 N GLY A 70 -2.810 -4.698 5.604 1.00 33.42 N ATOM 799 CA GLY A 70 -3.285 -3.565 6.376 1.00 31.24 C ATOM 800 C GLY A 70 -2.154 -2.687 6.872 1.00 3.24 C ATOM 801 O GLY A 70 -1.194 -3.176 7.469 1.00 12.41 O ATOM 0 H GLY A 70 -1.862 -5.002 5.827 1.00 33.42 H new ATOM 0 HA2 GLY A 70 -3.961 -2.969 5.763 1.00 31.24 H new ATOM 0 HA3 GLY A 70 -3.861 -3.926 7.228 1.00 31.24 H new ATOM 805 N VAL A 71 -2.264 -1.386 6.624 1.00 13.52 N ATOM 806 CA VAL A 71 -1.242 -0.437 7.049 1.00 12.42 C ATOM 807 C VAL A 71 -1.730 0.409 8.221 1.00 60.54 C ATOM 808 O VAL A 71 -2.727 1.123 8.112 1.00 52.41 O ATOM 809 CB VAL A 71 -0.827 0.496 5.895 1.00 32.45 C ATOM 810 CG1 VAL A 71 -2.054 1.027 5.171 1.00 53.52 C ATOM 811 CG2 VAL A 71 0.031 1.638 6.417 1.00 42.23 C ATOM 0 H VAL A 71 -3.051 -0.965 6.131 1.00 13.52 H new ATOM 0 HA VAL A 71 -0.378 -1.023 7.362 1.00 12.42 H new ATOM 0 HB VAL A 71 -0.234 -0.077 5.182 1.00 32.45 H new ATOM 0 HG11 VAL A 71 -1.742 1.684 4.359 1.00 53.52 H new ATOM 0 HG12 VAL A 71 -2.625 0.193 4.763 1.00 53.52 H new ATOM 0 HG13 VAL A 71 -2.676 1.585 5.871 1.00 53.52 H new ATOM 0 HG21 VAL A 71 0.315 2.287 5.589 1.00 42.23 H new ATOM 0 HG22 VAL A 71 -0.535 2.212 7.151 1.00 42.23 H new ATOM 0 HG23 VAL A 71 0.928 1.234 6.886 1.00 42.23 H new ATOM 821 N LEU A 72 -1.021 0.323 9.341 1.00 62.45 N ATOM 822 CA LEU A 72 -1.381 1.080 10.534 1.00 3.40 C ATOM 823 C LEU A 72 -0.544 2.351 10.645 1.00 30.13 C ATOM 824 O LEU A 72 0.658 2.341 10.379 1.00 31.30 O ATOM 825 CB LEU A 72 -1.191 0.220 11.785 1.00 53.23 C ATOM 826 CG LEU A 72 -0.492 -1.123 11.576 1.00 62.45 C ATOM 827 CD1 LEU A 72 -1.303 -2.008 10.642 1.00 73.01 C ATOM 828 CD2 LEU A 72 0.913 -0.914 11.028 1.00 34.02 C ATOM 0 H LEU A 72 -0.193 -0.264 9.448 1.00 62.45 H new ATOM 0 HA LEU A 72 -2.430 1.363 10.452 1.00 3.40 H new ATOM 0 HB2 LEU A 72 -0.619 0.795 12.513 1.00 53.23 H new ATOM 0 HB3 LEU A 72 -2.171 0.033 12.225 1.00 53.23 H new ATOM 0 HG LEU A 72 -0.414 -1.623 12.541 1.00 62.45 H new ATOM 0 HD11 LEU A 72 -0.789 -2.960 10.505 1.00 73.01 H new ATOM 0 HD12 LEU A 72 -2.288 -2.186 11.073 1.00 73.01 H new ATOM 0 HD13 LEU A 72 -1.414 -1.513 9.677 1.00 73.01 H new ATOM 0 HD21 LEU A 72 1.396 -1.881 10.886 1.00 34.02 H new ATOM 0 HD22 LEU A 72 0.857 -0.392 10.073 1.00 34.02 H new ATOM 0 HD23 LEU A 72 1.494 -0.319 11.733 1.00 34.02 H new ATOM 840 N VAL A 73 -1.187 3.444 11.043 1.00 54.24 N ATOM 841 CA VAL A 73 -0.502 4.722 11.193 1.00 52.32 C ATOM 842 C VAL A 73 -1.110 5.542 12.325 1.00 14.21 C ATOM 843 O VAL A 73 -2.245 6.012 12.227 1.00 4.04 O ATOM 844 CB VAL A 73 -0.557 5.545 9.892 1.00 62.34 C ATOM 845 CG1 VAL A 73 0.463 5.027 8.889 1.00 25.13 C ATOM 846 CG2 VAL A 73 -1.959 5.515 9.302 1.00 44.05 C ATOM 0 H VAL A 73 -2.182 3.470 11.267 1.00 54.24 H new ATOM 0 HA VAL A 73 0.538 4.497 11.429 1.00 52.32 H new ATOM 0 HB VAL A 73 -0.308 6.580 10.126 1.00 62.34 H new ATOM 0 HG11 VAL A 73 0.410 5.620 7.976 1.00 25.13 H new ATOM 0 HG12 VAL A 73 1.464 5.105 9.314 1.00 25.13 H new ATOM 0 HG13 VAL A 73 0.248 3.984 8.657 1.00 25.13 H new ATOM 0 HG21 VAL A 73 -1.980 6.101 8.383 1.00 44.05 H new ATOM 0 HG22 VAL A 73 -2.239 4.485 9.081 1.00 44.05 H new ATOM 0 HG23 VAL A 73 -2.664 5.937 10.018 1.00 44.05 H new ATOM 856 N THR A 74 -0.348 5.712 13.401 1.00 35.43 N ATOM 857 CA THR A 74 -0.812 6.474 14.554 1.00 42.34 C ATOM 858 C THR A 74 0.337 6.782 15.507 1.00 32.34 C ATOM 859 O THR A 74 1.433 7.141 15.078 1.00 24.22 O ATOM 860 CB THR A 74 -1.913 5.719 15.321 1.00 13.11 C ATOM 861 OG1 THR A 74 -2.773 5.038 14.400 1.00 12.44 O ATOM 862 CG2 THR A 74 -2.732 6.676 16.174 1.00 3.34 C ATOM 0 H THR A 74 0.594 5.332 13.498 1.00 35.43 H new ATOM 0 HA THR A 74 -1.223 7.408 14.171 1.00 42.34 H new ATOM 0 HB THR A 74 -1.434 4.992 15.977 1.00 13.11 H new ATOM 0 HG1 THR A 74 -3.016 5.645 13.670 1.00 12.44 H new ATOM 0 HG21 THR A 74 -3.503 6.120 16.706 1.00 3.34 H new ATOM 0 HG22 THR A 74 -2.080 7.171 16.894 1.00 3.34 H new ATOM 0 HG23 THR A 74 -3.200 7.424 15.534 1.00 3.34 H new ATOM 870 N ARG A 75 0.078 6.638 16.803 1.00 25.21 N ATOM 871 CA ARG A 75 1.092 6.901 17.818 1.00 74.10 C ATOM 872 C ARG A 75 1.576 5.601 18.453 1.00 74.51 C ATOM 873 O ARG A 75 0.864 4.597 18.490 1.00 71.40 O ATOM 874 CB ARG A 75 0.534 7.831 18.897 1.00 52.02 C ATOM 875 CG ARG A 75 -0.350 8.939 18.348 1.00 33.01 C ATOM 876 CD ARG A 75 -0.172 10.232 19.128 1.00 5.10 C ATOM 877 NE ARG A 75 -0.410 10.047 20.557 1.00 61.11 N ATOM 878 CZ ARG A 75 -0.448 11.046 21.431 1.00 15.31 C ATOM 879 NH1 ARG A 75 -0.266 12.295 21.024 1.00 23.12 N ATOM 880 NH2 ARG A 75 -0.671 10.798 22.715 1.00 23.35 N ATOM 0 H ARG A 75 -0.824 6.341 17.175 1.00 25.21 H new ATOM 0 HA ARG A 75 1.939 7.385 17.332 1.00 74.10 H new ATOM 0 HB2 ARG A 75 -0.039 7.241 19.612 1.00 52.02 H new ATOM 0 HB3 ARG A 75 1.364 8.278 19.445 1.00 52.02 H new ATOM 0 HG2 ARG A 75 -0.111 9.110 17.298 1.00 33.01 H new ATOM 0 HG3 ARG A 75 -1.394 8.628 18.391 1.00 33.01 H new ATOM 0 HD2 ARG A 75 0.838 10.611 18.975 1.00 5.10 H new ATOM 0 HD3 ARG A 75 -0.858 10.986 18.741 1.00 5.10 H new ATOM 0 HE ARG A 75 -0.555 9.098 20.903 1.00 61.11 H new ATOM 0 HH11 ARG A 75 -0.096 12.490 20.037 1.00 23.12 H new ATOM 0 HH12 ARG A 75 -0.296 13.060 21.698 1.00 23.12 H new ATOM 0 HH21 ARG A 75 -0.814 9.839 23.032 1.00 23.35 H new ATOM 0 HH22 ARG A 75 -0.700 11.566 23.385 1.00 23.35 H new ATOM 894 N PRO A 76 2.815 5.617 18.964 1.00 4.15 N ATOM 895 CA PRO A 76 3.422 4.448 19.607 1.00 23.41 C ATOM 896 C PRO A 76 2.769 4.117 20.945 1.00 42.12 C ATOM 897 O PRO A 76 3.185 3.187 21.636 1.00 13.12 O ATOM 898 CB PRO A 76 4.878 4.872 19.813 1.00 5.03 C ATOM 899 CG PRO A 76 4.834 6.360 19.874 1.00 65.11 C ATOM 900 CD PRO A 76 3.720 6.779 18.955 1.00 21.14 C ATOM 0 HA PRO A 76 3.307 3.547 19.005 1.00 23.41 H new ATOM 0 HB2 PRO A 76 5.287 4.450 20.731 1.00 5.03 H new ATOM 0 HB3 PRO A 76 5.510 4.528 18.995 1.00 5.03 H new ATOM 0 HG2 PRO A 76 4.650 6.704 20.892 1.00 65.11 H new ATOM 0 HG3 PRO A 76 5.784 6.792 19.558 1.00 65.11 H new ATOM 0 HD2 PRO A 76 3.221 7.680 19.313 1.00 21.14 H new ATOM 0 HD3 PRO A 76 4.087 6.995 17.952 1.00 21.14 H new ATOM 908 N ASP A 77 1.745 4.884 21.303 1.00 23.23 N ATOM 909 CA ASP A 77 1.033 4.671 22.558 1.00 4.11 C ATOM 910 C ASP A 77 -0.066 3.627 22.389 1.00 23.22 C ATOM 911 O ASP A 77 -1.194 3.820 22.840 1.00 21.42 O ATOM 912 CB ASP A 77 0.432 5.986 23.057 1.00 24.14 C ATOM 913 CG ASP A 77 1.434 6.825 23.826 1.00 11.31 C ATOM 914 OD1 ASP A 77 2.083 6.282 24.745 1.00 52.02 O ATOM 915 OD2 ASP A 77 1.569 8.025 23.509 1.00 44.24 O ATOM 0 H ASP A 77 1.389 5.658 20.742 1.00 23.23 H new ATOM 0 HA ASP A 77 1.747 4.304 23.295 1.00 4.11 H new ATOM 0 HB2 ASP A 77 0.060 6.558 22.207 1.00 24.14 H new ATOM 0 HB3 ASP A 77 -0.424 5.771 23.696 1.00 24.14 H new ATOM 920 N GLY A 78 0.272 2.520 21.735 1.00 62.33 N ATOM 921 CA GLY A 78 -0.697 1.462 21.516 1.00 31.15 C ATOM 922 C GLY A 78 -1.760 1.849 20.507 1.00 21.51 C ATOM 923 O GLY A 78 -2.594 1.026 20.125 1.00 4.44 O ATOM 0 H GLY A 78 1.200 2.337 21.353 1.00 62.33 H new ATOM 0 HA2 GLY A 78 -0.181 0.567 21.170 1.00 31.15 H new ATOM 0 HA3 GLY A 78 -1.174 1.209 22.463 1.00 31.15 H new ATOM 927 N THR A 79 -1.733 3.105 20.073 1.00 21.04 N ATOM 928 CA THR A 79 -2.703 3.600 19.105 1.00 43.14 C ATOM 929 C THR A 79 -2.186 3.442 17.679 1.00 4.43 C ATOM 930 O THR A 79 -1.112 3.939 17.340 1.00 5.31 O ATOM 931 CB THR A 79 -3.041 5.082 19.355 1.00 24.11 C ATOM 932 OG1 THR A 79 -1.852 5.876 19.272 1.00 51.31 O ATOM 933 CG2 THR A 79 -3.686 5.267 20.720 1.00 25.44 C ATOM 0 H THR A 79 -1.049 3.798 20.377 1.00 21.04 H new ATOM 0 HA THR A 79 -3.607 3.003 19.230 1.00 43.14 H new ATOM 0 HB THR A 79 -3.747 5.405 18.590 1.00 24.11 H new ATOM 0 HG1 THR A 79 -1.121 5.334 18.908 1.00 51.31 H new ATOM 0 HG21 THR A 79 -3.916 6.321 20.874 1.00 25.44 H new ATOM 0 HG22 THR A 79 -4.606 4.684 20.770 1.00 25.44 H new ATOM 0 HG23 THR A 79 -2.999 4.928 21.496 1.00 25.44 H new ATOM 941 N ARG A 80 -2.957 2.749 16.848 1.00 22.34 N ATOM 942 CA ARG A 80 -2.576 2.526 15.459 1.00 24.50 C ATOM 943 C ARG A 80 -3.805 2.496 14.556 1.00 72.10 C ATOM 944 O ARG A 80 -4.863 2.003 14.946 1.00 35.43 O ATOM 945 CB ARG A 80 -1.800 1.214 15.325 1.00 24.02 C ATOM 946 CG ARG A 80 -1.976 0.278 16.510 1.00 40.30 C ATOM 947 CD ARG A 80 -1.930 -1.180 16.080 1.00 5.42 C ATOM 948 NE ARG A 80 -3.011 -1.960 16.676 1.00 64.44 N ATOM 949 CZ ARG A 80 -3.181 -2.101 17.986 1.00 45.15 C ATOM 950 NH1 ARG A 80 -2.345 -1.516 18.832 1.00 2.33 N ATOM 951 NH2 ARG A 80 -4.189 -2.828 18.451 1.00 44.51 N ATOM 0 H ARG A 80 -3.850 2.332 17.113 1.00 22.34 H new ATOM 0 HA ARG A 80 -1.937 3.352 15.147 1.00 24.50 H new ATOM 0 HB2 ARG A 80 -2.122 0.702 14.418 1.00 24.02 H new ATOM 0 HB3 ARG A 80 -0.740 1.439 15.205 1.00 24.02 H new ATOM 0 HG2 ARG A 80 -1.192 0.467 17.244 1.00 40.30 H new ATOM 0 HG3 ARG A 80 -2.928 0.484 17.000 1.00 40.30 H new ATOM 0 HD2 ARG A 80 -1.996 -1.240 14.994 1.00 5.42 H new ATOM 0 HD3 ARG A 80 -0.971 -1.612 16.365 1.00 5.42 H new ATOM 0 HE ARG A 80 -3.672 -2.422 16.052 1.00 64.44 H new ATOM 0 HH11 ARG A 80 -1.569 -0.956 18.478 1.00 2.33 H new ATOM 0 HH12 ARG A 80 -2.477 -1.625 19.837 1.00 2.33 H new ATOM 0 HH21 ARG A 80 -4.834 -3.279 17.802 1.00 44.51 H new ATOM 0 HH22 ARG A 80 -4.319 -2.936 19.457 1.00 44.51 H new ATOM 965 N VAL A 81 -3.658 3.028 13.347 1.00 70.13 N ATOM 966 CA VAL A 81 -4.756 3.062 12.388 1.00 43.13 C ATOM 967 C VAL A 81 -4.491 2.123 11.216 1.00 13.30 C ATOM 968 O VAL A 81 -4.003 2.545 10.168 1.00 0.34 O ATOM 969 CB VAL A 81 -4.986 4.486 11.848 1.00 3.44 C ATOM 970 CG1 VAL A 81 -6.051 4.481 10.763 1.00 72.11 C ATOM 971 CG2 VAL A 81 -5.370 5.428 12.979 1.00 0.34 C ATOM 0 H VAL A 81 -2.789 3.441 13.008 1.00 70.13 H new ATOM 0 HA VAL A 81 -5.650 2.734 12.919 1.00 43.13 H new ATOM 0 HB VAL A 81 -4.055 4.843 11.407 1.00 3.44 H new ATOM 0 HG11 VAL A 81 -6.199 5.496 10.394 1.00 72.11 H new ATOM 0 HG12 VAL A 81 -5.731 3.840 9.942 1.00 72.11 H new ATOM 0 HG13 VAL A 81 -6.987 4.104 11.174 1.00 72.11 H new ATOM 0 HG21 VAL A 81 -5.529 6.430 12.580 1.00 0.34 H new ATOM 0 HG22 VAL A 81 -6.287 5.076 13.450 1.00 0.34 H new ATOM 0 HG23 VAL A 81 -4.569 5.455 13.718 1.00 0.34 H new ATOM 981 N GLU A 82 -4.818 0.848 11.401 1.00 22.01 N ATOM 982 CA GLU A 82 -4.615 -0.151 10.358 1.00 2.14 C ATOM 983 C GLU A 82 -5.700 -0.051 9.290 1.00 10.33 C ATOM 984 O GLU A 82 -6.884 -0.237 9.572 1.00 2.25 O ATOM 985 CB GLU A 82 -4.607 -1.557 10.963 1.00 41.35 C ATOM 986 CG GLU A 82 -4.503 -2.664 9.927 1.00 41.31 C ATOM 987 CD GLU A 82 -5.851 -3.264 9.577 1.00 2.21 C ATOM 988 OE1 GLU A 82 -6.433 -3.955 10.439 1.00 72.21 O ATOM 989 OE2 GLU A 82 -6.323 -3.043 8.443 1.00 50.44 O ATOM 0 H GLU A 82 -5.224 0.483 12.262 1.00 22.01 H new ATOM 0 HA GLU A 82 -3.650 0.041 9.889 1.00 2.14 H new ATOM 0 HB2 GLU A 82 -3.770 -1.640 11.657 1.00 41.35 H new ATOM 0 HB3 GLU A 82 -5.518 -1.699 11.544 1.00 41.35 H new ATOM 0 HG2 GLU A 82 -4.040 -2.268 9.023 1.00 41.31 H new ATOM 0 HG3 GLU A 82 -3.847 -3.449 10.304 1.00 41.31 H new ATOM 996 N VAL A 83 -5.287 0.246 8.062 1.00 75.42 N ATOM 997 CA VAL A 83 -6.223 0.370 6.950 1.00 1.55 C ATOM 998 C VAL A 83 -6.321 -0.933 6.166 1.00 52.13 C ATOM 999 O VAL A 83 -5.310 -1.575 5.878 1.00 13.21 O ATOM 1000 CB VAL A 83 -5.809 1.504 5.993 1.00 62.51 C ATOM 1001 CG1 VAL A 83 -7.001 1.972 5.172 1.00 21.23 C ATOM 1002 CG2 VAL A 83 -5.198 2.660 6.769 1.00 12.34 C ATOM 0 H VAL A 83 -4.311 0.405 7.812 1.00 75.42 H new ATOM 0 HA VAL A 83 -7.197 0.605 7.380 1.00 1.55 H new ATOM 0 HB VAL A 83 -5.055 1.119 5.307 1.00 62.51 H new ATOM 0 HG11 VAL A 83 -6.689 2.773 4.502 1.00 21.23 H new ATOM 0 HG12 VAL A 83 -7.389 1.139 4.586 1.00 21.23 H new ATOM 0 HG13 VAL A 83 -7.780 2.340 5.839 1.00 21.23 H new ATOM 0 HG21 VAL A 83 -4.911 3.452 6.077 1.00 12.34 H new ATOM 0 HG22 VAL A 83 -5.928 3.047 7.481 1.00 12.34 H new ATOM 0 HG23 VAL A 83 -4.316 2.312 7.307 1.00 12.34 H new ATOM 1012 N HIS A 84 -7.546 -1.319 5.821 1.00 24.02 N ATOM 1013 CA HIS A 84 -7.776 -2.546 5.068 1.00 75.52 C ATOM 1014 C HIS A 84 -7.695 -2.286 3.567 1.00 70.03 C ATOM 1015 O HIS A 84 -8.489 -1.523 3.014 1.00 31.43 O ATOM 1016 CB HIS A 84 -9.141 -3.138 5.421 1.00 15.33 C ATOM 1017 CG HIS A 84 -9.101 -4.606 5.714 1.00 63.03 C ATOM 1018 ND1 HIS A 84 -8.302 -5.584 5.226 1.00 71.21 N flip ATOM 1019 CD2 HIS A 84 -9.956 -5.220 6.604 1.00 4.15 C flip ATOM 1020 CE1 HIS A 84 -8.684 -6.759 5.826 1.00 3.10 C flip ATOM 1021 NE2 HIS A 84 -9.684 -6.512 6.653 1.00 41.30 N flip ATOM 0 H HIS A 84 -8.393 -0.800 6.051 1.00 24.02 H new ATOM 0 HA HIS A 84 -6.998 -3.260 5.338 1.00 75.52 H new ATOM 0 HB2 HIS A 84 -9.541 -2.614 6.289 1.00 15.33 H new ATOM 0 HB3 HIS A 84 -9.830 -2.960 4.595 1.00 15.33 H new ATOM 0 HD2 HIS A 84 -10.728 -4.723 7.173 1.00 4.15 H new ATOM 0 HE1 HIS A 84 -8.239 -7.727 5.650 1.00 3.10 H new ATOM 0 HE2 HIS A 84 -10.164 -7.201 7.231 1.00 41.30 H new ATOM 1029 N LEU A 85 -6.730 -2.923 2.912 1.00 34.22 N ATOM 1030 CA LEU A 85 -6.544 -2.760 1.475 1.00 75.05 C ATOM 1031 C LEU A 85 -6.571 -4.110 0.765 1.00 20.23 C ATOM 1032 O LEU A 85 -5.667 -4.929 0.933 1.00 4.41 O ATOM 1033 CB LEU A 85 -5.222 -2.047 1.189 1.00 25.11 C ATOM 1034 CG LEU A 85 -4.577 -1.329 2.375 1.00 4.11 C ATOM 1035 CD1 LEU A 85 -3.889 -2.327 3.294 1.00 41.13 C ATOM 1036 CD2 LEU A 85 -3.588 -0.279 1.889 1.00 21.13 C ATOM 0 H LEU A 85 -6.064 -3.557 3.354 1.00 34.22 H new ATOM 0 HA LEU A 85 -7.366 -2.154 1.094 1.00 75.05 H new ATOM 0 HB2 LEU A 85 -4.513 -2.780 0.804 1.00 25.11 H new ATOM 0 HB3 LEU A 85 -5.389 -1.318 0.396 1.00 25.11 H new ATOM 0 HG LEU A 85 -5.361 -0.826 2.941 1.00 4.11 H new ATOM 0 HD11 LEU A 85 -3.436 -1.797 4.132 1.00 41.13 H new ATOM 0 HD12 LEU A 85 -4.622 -3.041 3.670 1.00 41.13 H new ATOM 0 HD13 LEU A 85 -3.115 -2.859 2.740 1.00 41.13 H new ATOM 0 HD21 LEU A 85 -3.139 0.222 2.746 1.00 21.13 H new ATOM 0 HD22 LEU A 85 -2.807 -0.760 1.299 1.00 21.13 H new ATOM 0 HD23 LEU A 85 -4.109 0.454 1.273 1.00 21.13 H new ATOM 1048 N ASP A 86 -7.612 -4.335 -0.029 1.00 30.25 N ATOM 1049 CA ASP A 86 -7.755 -5.585 -0.766 1.00 41.25 C ATOM 1050 C ASP A 86 -8.259 -5.325 -2.183 1.00 22.13 C ATOM 1051 O ASP A 86 -9.334 -4.756 -2.375 1.00 63.51 O ATOM 1052 CB ASP A 86 -8.713 -6.527 -0.036 1.00 11.23 C ATOM 1053 CG ASP A 86 -8.440 -7.985 -0.347 1.00 34.35 C ATOM 1054 OD1 ASP A 86 -8.618 -8.386 -1.516 1.00 64.31 O ATOM 1055 OD2 ASP A 86 -8.049 -8.726 0.580 1.00 51.34 O ATOM 0 H ASP A 86 -8.369 -3.668 -0.179 1.00 30.25 H new ATOM 0 HA ASP A 86 -6.774 -6.055 -0.828 1.00 41.25 H new ATOM 0 HB2 ASP A 86 -8.628 -6.366 1.039 1.00 11.23 H new ATOM 0 HB3 ASP A 86 -9.739 -6.285 -0.315 1.00 11.23 H new ATOM 1060 N ARG A 87 -7.475 -5.744 -3.170 1.00 62.45 N ATOM 1061 CA ARG A 87 -7.840 -5.555 -4.569 1.00 54.11 C ATOM 1062 C ARG A 87 -9.208 -6.166 -4.861 1.00 0.50 C ATOM 1063 O ARG A 87 -9.680 -6.142 -5.998 1.00 4.21 O ATOM 1064 CB ARG A 87 -6.785 -6.180 -5.483 1.00 72.13 C ATOM 1065 CG ARG A 87 -6.997 -5.873 -6.957 1.00 31.22 C ATOM 1066 CD ARG A 87 -7.065 -7.146 -7.787 1.00 10.42 C ATOM 1067 NE ARG A 87 -7.800 -6.948 -9.033 1.00 51.51 N ATOM 1068 CZ ARG A 87 -7.345 -6.220 -10.047 1.00 62.42 C ATOM 1069 NH1 ARG A 87 -6.163 -5.626 -9.963 1.00 4.01 N ATOM 1070 NH2 ARG A 87 -8.072 -6.087 -11.149 1.00 32.21 N ATOM 0 H ARG A 87 -6.583 -6.217 -3.027 1.00 62.45 H new ATOM 0 HA ARG A 87 -7.890 -4.484 -4.764 1.00 54.11 H new ATOM 0 HB2 ARG A 87 -5.800 -5.822 -5.184 1.00 72.13 H new ATOM 0 HB3 ARG A 87 -6.788 -7.261 -5.342 1.00 72.13 H new ATOM 0 HG2 ARG A 87 -7.919 -5.306 -7.083 1.00 31.22 H new ATOM 0 HG3 ARG A 87 -6.184 -5.244 -7.319 1.00 31.22 H new ATOM 0 HD2 ARG A 87 -6.054 -7.486 -8.012 1.00 10.42 H new ATOM 0 HD3 ARG A 87 -7.544 -7.933 -7.205 1.00 10.42 H new ATOM 0 HE ARG A 87 -8.713 -7.393 -9.130 1.00 51.51 H new ATOM 0 HH11 ARG A 87 -5.600 -5.727 -9.118 1.00 4.01 H new ATOM 0 HH12 ARG A 87 -5.816 -5.068 -10.743 1.00 4.01 H new ATOM 0 HH21 ARG A 87 -8.981 -6.544 -11.218 1.00 32.21 H new ATOM 0 HH22 ARG A 87 -7.722 -5.528 -11.927 1.00 32.21 H new ATOM 1084 N ASP A 88 -9.839 -6.712 -3.827 1.00 42.05 N ATOM 1085 CA ASP A 88 -11.152 -7.329 -3.972 1.00 54.54 C ATOM 1086 C ASP A 88 -12.205 -6.286 -4.337 1.00 23.00 C ATOM 1087 O ASP A 88 -13.355 -6.622 -4.619 1.00 70.33 O ATOM 1088 CB ASP A 88 -11.550 -8.042 -2.679 1.00 61.14 C ATOM 1089 CG ASP A 88 -12.800 -8.885 -2.844 1.00 5.32 C ATOM 1090 OD1 ASP A 88 -13.192 -9.144 -4.000 1.00 50.44 O ATOM 1091 OD2 ASP A 88 -13.385 -9.285 -1.816 1.00 15.53 O ATOM 0 H ASP A 88 -9.462 -6.740 -2.880 1.00 42.05 H new ATOM 0 HA ASP A 88 -11.095 -8.060 -4.778 1.00 54.54 H new ATOM 0 HB2 ASP A 88 -10.728 -8.677 -2.350 1.00 61.14 H new ATOM 0 HB3 ASP A 88 -11.715 -7.302 -1.895 1.00 61.14 H new ATOM 1096 N PHE A 89 -11.803 -5.019 -4.328 1.00 34.23 N ATOM 1097 CA PHE A 89 -12.712 -3.927 -4.655 1.00 52.13 C ATOM 1098 C PHE A 89 -13.749 -3.733 -3.553 1.00 10.23 C ATOM 1099 O PHE A 89 -14.798 -3.127 -3.772 1.00 73.42 O ATOM 1100 CB PHE A 89 -13.413 -4.201 -5.988 1.00 11.44 C ATOM 1101 CG PHE A 89 -12.508 -4.791 -7.031 1.00 32.12 C ATOM 1102 CD1 PHE A 89 -11.457 -4.055 -7.552 1.00 5.32 C ATOM 1103 CD2 PHE A 89 -12.710 -6.082 -7.491 1.00 23.51 C ATOM 1104 CE1 PHE A 89 -10.622 -4.595 -8.512 1.00 24.33 C ATOM 1105 CE2 PHE A 89 -11.878 -6.628 -8.450 1.00 61.42 C ATOM 1106 CZ PHE A 89 -10.833 -5.884 -8.962 1.00 54.51 C ATOM 0 H PHE A 89 -10.854 -4.724 -4.098 1.00 34.23 H new ATOM 0 HA PHE A 89 -12.125 -3.013 -4.742 1.00 52.13 H new ATOM 0 HB2 PHE A 89 -14.248 -4.880 -5.817 1.00 11.44 H new ATOM 0 HB3 PHE A 89 -13.832 -3.269 -6.367 1.00 11.44 H new ATOM 0 HD1 PHE A 89 -11.288 -3.047 -7.204 1.00 5.32 H new ATOM 0 HD2 PHE A 89 -13.527 -6.668 -7.096 1.00 23.51 H new ATOM 0 HE1 PHE A 89 -9.806 -4.010 -8.910 1.00 24.33 H new ATOM 0 HE2 PHE A 89 -12.045 -7.636 -8.799 1.00 61.42 H new ATOM 0 HZ PHE A 89 -10.183 -6.309 -9.712 1.00 54.51 H new ATOM 1116 N ARG A 90 -13.447 -4.252 -2.367 1.00 12.30 N ATOM 1117 CA ARG A 90 -14.353 -4.138 -1.230 1.00 41.42 C ATOM 1118 C ARG A 90 -13.576 -3.903 0.062 1.00 13.32 C ATOM 1119 O ARG A 90 -14.163 -3.779 1.138 1.00 42.05 O ATOM 1120 CB ARG A 90 -15.207 -5.401 -1.102 1.00 44.44 C ATOM 1121 CG ARG A 90 -14.449 -6.593 -0.542 1.00 34.42 C ATOM 1122 CD ARG A 90 -14.727 -6.783 0.941 1.00 13.22 C ATOM 1123 NE ARG A 90 -15.138 -8.150 1.251 1.00 44.30 N ATOM 1124 CZ ARG A 90 -15.170 -8.646 2.483 1.00 54.12 C ATOM 1125 NH1 ARG A 90 -14.820 -7.891 3.515 1.00 44.13 N ATOM 1126 NH2 ARG A 90 -15.555 -9.900 2.684 1.00 14.43 N ATOM 0 H ARG A 90 -12.582 -4.755 -2.169 1.00 12.30 H new ATOM 0 HA ARG A 90 -15.006 -3.282 -1.402 1.00 41.42 H new ATOM 0 HB2 ARG A 90 -16.061 -5.189 -0.458 1.00 44.44 H new ATOM 0 HB3 ARG A 90 -15.604 -5.662 -2.083 1.00 44.44 H new ATOM 0 HG2 ARG A 90 -14.733 -7.494 -1.085 1.00 34.42 H new ATOM 0 HG3 ARG A 90 -13.380 -6.451 -0.698 1.00 34.42 H new ATOM 0 HD2 ARG A 90 -13.832 -6.535 1.512 1.00 13.22 H new ATOM 0 HD3 ARG A 90 -15.507 -6.090 1.255 1.00 13.22 H new ATOM 0 HE ARG A 90 -15.416 -8.757 0.480 1.00 44.30 H new ATOM 0 HH11 ARG A 90 -14.525 -6.926 3.364 1.00 44.13 H new ATOM 0 HH12 ARG A 90 -14.846 -8.275 4.460 1.00 44.13 H new ATOM 0 HH21 ARG A 90 -15.826 -10.483 1.892 1.00 14.43 H new ATOM 0 HH22 ARG A 90 -15.579 -10.281 3.630 1.00 14.43 H new ATOM 1140 N VAL A 91 -12.253 -3.843 -0.051 1.00 52.10 N ATOM 1141 CA VAL A 91 -11.396 -3.622 1.108 1.00 70.34 C ATOM 1142 C VAL A 91 -10.553 -2.364 0.936 1.00 42.12 C ATOM 1143 O VAL A 91 -9.336 -2.438 0.761 1.00 43.20 O ATOM 1144 CB VAL A 91 -10.463 -4.823 1.352 1.00 63.01 C ATOM 1145 CG1 VAL A 91 -9.541 -4.552 2.531 1.00 45.53 C ATOM 1146 CG2 VAL A 91 -11.274 -6.090 1.579 1.00 4.15 C ATOM 0 H VAL A 91 -11.751 -3.944 -0.933 1.00 52.10 H new ATOM 0 HA VAL A 91 -12.053 -3.500 1.969 1.00 70.34 H new ATOM 0 HB VAL A 91 -9.846 -4.968 0.465 1.00 63.01 H new ATOM 0 HG11 VAL A 91 -8.889 -5.411 2.688 1.00 45.53 H new ATOM 0 HG12 VAL A 91 -8.935 -3.670 2.324 1.00 45.53 H new ATOM 0 HG13 VAL A 91 -10.137 -4.380 3.427 1.00 45.53 H new ATOM 0 HG21 VAL A 91 -10.599 -6.928 1.750 1.00 4.15 H new ATOM 0 HG22 VAL A 91 -11.917 -5.959 2.449 1.00 4.15 H new ATOM 0 HG23 VAL A 91 -11.888 -6.291 0.701 1.00 4.15 H new ATOM 1156 N LEU A 92 -11.207 -1.209 0.987 1.00 42.20 N ATOM 1157 CA LEU A 92 -10.517 0.068 0.838 1.00 53.14 C ATOM 1158 C LEU A 92 -10.793 0.979 2.030 1.00 71.41 C ATOM 1159 O LEU A 92 -10.525 2.179 1.982 1.00 53.33 O ATOM 1160 CB LEU A 92 -10.953 0.757 -0.457 1.00 13.24 C ATOM 1161 CG LEU A 92 -10.151 0.402 -1.709 1.00 53.21 C ATOM 1162 CD1 LEU A 92 -9.601 -1.012 -1.607 1.00 42.15 C ATOM 1163 CD2 LEU A 92 -11.013 0.553 -2.954 1.00 62.15 C ATOM 0 H LEU A 92 -12.214 -1.130 1.130 1.00 42.20 H new ATOM 0 HA LEU A 92 -9.446 -0.129 0.795 1.00 53.14 H new ATOM 0 HB2 LEU A 92 -12.000 0.514 -0.639 1.00 13.24 H new ATOM 0 HB3 LEU A 92 -10.897 1.835 -0.308 1.00 13.24 H new ATOM 0 HG LEU A 92 -9.311 1.092 -1.787 1.00 53.21 H new ATOM 0 HD11 LEU A 92 -9.033 -1.247 -2.507 1.00 42.15 H new ATOM 0 HD12 LEU A 92 -8.949 -1.087 -0.737 1.00 42.15 H new ATOM 0 HD13 LEU A 92 -10.426 -1.717 -1.504 1.00 42.15 H new ATOM 0 HD21 LEU A 92 -10.426 0.296 -3.836 1.00 62.15 H new ATOM 0 HD22 LEU A 92 -11.873 -0.113 -2.884 1.00 62.15 H new ATOM 0 HD23 LEU A 92 -11.358 1.584 -3.035 1.00 62.15 H new ATOM 1175 N ASP A 93 -11.328 0.399 3.099 1.00 43.01 N ATOM 1176 CA ASP A 93 -11.637 1.157 4.306 1.00 42.44 C ATOM 1177 C ASP A 93 -10.492 1.071 5.310 1.00 43.22 C ATOM 1178 O ASP A 93 -9.422 0.542 5.005 1.00 11.21 O ATOM 1179 CB ASP A 93 -12.929 0.641 4.941 1.00 2.31 C ATOM 1180 CG ASP A 93 -14.015 0.382 3.916 1.00 51.43 C ATOM 1181 OD1 ASP A 93 -14.218 1.245 3.035 1.00 33.14 O ATOM 1182 OD2 ASP A 93 -14.661 -0.683 3.993 1.00 74.10 O ATOM 0 H ASP A 93 -11.557 -0.594 3.154 1.00 43.01 H new ATOM 0 HA ASP A 93 -11.772 2.201 4.025 1.00 42.44 H new ATOM 0 HB2 ASP A 93 -12.720 -0.280 5.485 1.00 2.31 H new ATOM 0 HB3 ASP A 93 -13.287 1.368 5.670 1.00 2.31 H new ATOM 1187 N THR A 94 -10.722 1.596 6.509 1.00 33.14 N ATOM 1188 CA THR A 94 -9.710 1.581 7.558 1.00 71.42 C ATOM 1189 C THR A 94 -10.167 0.750 8.751 1.00 33.23 C ATOM 1190 O THR A 94 -11.305 0.282 8.794 1.00 65.13 O ATOM 1191 CB THR A 94 -9.376 3.006 8.037 1.00 62.12 C ATOM 1192 OG1 THR A 94 -8.239 2.976 8.907 1.00 44.35 O ATOM 1193 CG2 THR A 94 -10.560 3.624 8.764 1.00 55.45 C ATOM 0 H THR A 94 -11.601 2.037 6.778 1.00 33.14 H new ATOM 0 HA THR A 94 -8.815 1.132 7.127 1.00 71.42 H new ATOM 0 HB THR A 94 -9.148 3.616 7.162 1.00 62.12 H new ATOM 0 HG1 THR A 94 -7.660 3.743 8.715 1.00 44.35 H new ATOM 0 HG21 THR A 94 -10.300 4.630 9.093 1.00 55.45 H new ATOM 0 HG22 THR A 94 -11.416 3.672 8.091 1.00 55.45 H new ATOM 0 HG23 THR A 94 -10.814 3.013 9.630 1.00 55.45 H new ATOM 1201 N GLU A 95 -9.274 0.571 9.719 1.00 3.23 N ATOM 1202 CA GLU A 95 -9.587 -0.204 10.914 1.00 73.01 C ATOM 1203 C GLU A 95 -8.973 0.437 12.155 1.00 21.31 C ATOM 1204 O GLU A 95 -7.756 0.588 12.269 1.00 54.21 O ATOM 1205 CB GLU A 95 -9.081 -1.640 10.764 1.00 31.22 C ATOM 1206 CG GLU A 95 -9.855 -2.648 11.598 1.00 63.15 C ATOM 1207 CD GLU A 95 -11.045 -3.227 10.857 1.00 45.23 C ATOM 1208 OE1 GLU A 95 -10.829 -3.926 9.845 1.00 74.34 O ATOM 1209 OE2 GLU A 95 -12.190 -2.980 11.288 1.00 20.43 O ATOM 0 H GLU A 95 -8.328 0.952 9.699 1.00 3.23 H new ATOM 0 HA GLU A 95 -10.670 -0.219 11.033 1.00 73.01 H new ATOM 0 HB2 GLU A 95 -9.138 -1.929 9.715 1.00 31.22 H new ATOM 0 HB3 GLU A 95 -8.029 -1.677 11.048 1.00 31.22 H new ATOM 0 HG2 GLU A 95 -9.188 -3.457 11.895 1.00 63.15 H new ATOM 0 HG3 GLU A 95 -10.200 -2.168 12.513 1.00 63.15 H new ATOM 1216 N PRO A 96 -9.834 0.823 13.109 1.00 44.04 N ATOM 1217 CA PRO A 96 -9.399 1.454 14.359 1.00 74.34 C ATOM 1218 C PRO A 96 -8.668 0.480 15.276 1.00 73.50 C ATOM 1219 O PRO A 96 -9.251 -0.493 15.755 1.00 62.15 O ATOM 1220 CB PRO A 96 -10.712 1.910 15.000 1.00 30.04 C ATOM 1221 CG PRO A 96 -11.746 0.997 14.438 1.00 30.31 C ATOM 1222 CD PRO A 96 -11.297 0.673 13.040 1.00 41.40 C ATOM 0 HA PRO A 96 -8.691 2.264 14.183 1.00 74.34 H new ATOM 0 HB2 PRO A 96 -10.668 1.837 16.087 1.00 30.04 H new ATOM 0 HB3 PRO A 96 -10.930 2.950 14.759 1.00 30.04 H new ATOM 0 HG2 PRO A 96 -11.835 0.092 15.039 1.00 30.31 H new ATOM 0 HG3 PRO A 96 -12.726 1.474 14.432 1.00 30.31 H new ATOM 0 HD2 PRO A 96 -11.584 -0.338 12.750 1.00 41.40 H new ATOM 0 HD3 PRO A 96 -11.737 1.352 12.309 1.00 41.40 H new ATOM 1230 N ALA A 97 -7.389 0.748 15.517 1.00 32.43 N ATOM 1231 CA ALA A 97 -6.580 -0.104 16.380 1.00 64.24 C ATOM 1232 C ALA A 97 -6.107 0.655 17.615 1.00 53.34 C ATOM 1233 O ALA A 97 -5.305 1.584 17.515 1.00 71.11 O ATOM 1234 CB ALA A 97 -5.389 -0.655 15.609 1.00 21.42 C ATOM 0 H ALA A 97 -6.891 1.548 15.127 1.00 32.43 H new ATOM 0 HA ALA A 97 -7.201 -0.936 16.713 1.00 64.24 H new ATOM 0 HB1 ALA A 97 -4.793 -1.290 16.265 1.00 21.42 H new ATOM 0 HB2 ALA A 97 -5.744 -1.241 14.761 1.00 21.42 H new ATOM 0 HB3 ALA A 97 -4.776 0.171 15.248 1.00 21.42 H new ATOM 1240 N ASP A 98 -6.610 0.256 18.777 1.00 32.44 N ATOM 1241 CA ASP A 98 -6.239 0.899 20.032 1.00 32.25 C ATOM 1242 C ASP A 98 -5.800 -0.136 21.064 1.00 14.33 C ATOM 1243 O ASP A 98 -6.360 -0.213 22.157 1.00 5.14 O ATOM 1244 CB ASP A 98 -7.412 1.716 20.578 1.00 62.42 C ATOM 1245 CG ASP A 98 -6.956 2.932 21.359 1.00 11.04 C ATOM 1246 OD1 ASP A 98 -6.431 2.756 22.479 1.00 71.20 O ATOM 1247 OD2 ASP A 98 -7.124 4.060 20.851 1.00 4.23 O ATOM 0 H ASP A 98 -7.276 -0.510 18.877 1.00 32.44 H new ATOM 0 HA ASP A 98 -5.401 1.568 19.835 1.00 32.25 H new ATOM 0 HB2 ASP A 98 -8.045 2.036 19.750 1.00 62.42 H new ATOM 0 HB3 ASP A 98 -8.024 1.083 21.221 1.00 62.42 H new ATOM 1252 N GLY A 99 -4.796 -0.930 20.708 1.00 63.51 N ATOM 1253 CA GLY A 99 -4.300 -1.951 21.613 1.00 1.52 C ATOM 1254 C GLY A 99 -5.226 -3.147 21.702 1.00 71.24 C ATOM 1255 O GLY A 99 -4.822 -4.222 22.147 1.00 54.40 O ATOM 0 H GLY A 99 -4.317 -0.885 19.809 1.00 63.51 H new ATOM 0 HA2 GLY A 99 -3.316 -2.281 21.279 1.00 1.52 H new ATOM 0 HA3 GLY A 99 -4.171 -1.520 22.606 1.00 1.52 H new ATOM 1259 N ASP A 100 -6.471 -2.962 21.278 1.00 14.21 N ATOM 1260 CA ASP A 100 -7.458 -4.035 21.312 1.00 53.11 C ATOM 1261 C ASP A 100 -7.546 -4.735 19.959 1.00 32.14 C ATOM 1262 O ASP A 100 -7.281 -5.931 19.850 1.00 74.50 O ATOM 1263 CB ASP A 100 -8.830 -3.483 21.705 1.00 63.43 C ATOM 1264 CG ASP A 100 -8.923 -3.162 23.183 1.00 5.14 C ATOM 1265 OD1 ASP A 100 -8.205 -2.246 23.638 1.00 22.31 O ATOM 1266 OD2 ASP A 100 -9.713 -3.825 23.886 1.00 74.32 O ATOM 0 H ASP A 100 -6.821 -2.079 20.907 1.00 14.21 H new ATOM 0 HA ASP A 100 -7.141 -4.764 22.058 1.00 53.11 H new ATOM 0 HB2 ASP A 100 -9.035 -2.582 21.127 1.00 63.43 H new ATOM 0 HB3 ASP A 100 -9.599 -4.210 21.445 1.00 63.43 H new ATOM 1271 N GLY A 101 -7.921 -3.980 18.931 1.00 34.30 N ATOM 1272 CA GLY A 101 -8.039 -4.546 17.600 1.00 40.23 C ATOM 1273 C GLY A 101 -9.372 -5.232 17.377 1.00 52.22 C ATOM 1274 O GLY A 101 -9.519 -6.036 16.457 1.00 44.50 O ATOM 0 H GLY A 101 -8.145 -2.987 18.996 1.00 34.30 H new ATOM 0 HA2 GLY A 101 -7.913 -3.756 16.860 1.00 40.23 H new ATOM 0 HA3 GLY A 101 -7.234 -5.263 17.441 1.00 40.23 H new ATOM 1278 N GLY A 102 -10.348 -4.915 18.223 1.00 61.31 N ATOM 1279 CA GLY A 102 -11.662 -5.517 18.098 1.00 34.31 C ATOM 1280 C GLY A 102 -12.713 -4.526 17.638 1.00 2.10 C ATOM 1281 O GLY A 102 -12.998 -3.548 18.329 1.00 44.10 O ATOM 0 H GLY A 102 -10.252 -4.252 18.992 1.00 61.31 H new ATOM 0 HA2 GLY A 102 -11.613 -6.345 17.390 1.00 34.31 H new ATOM 0 HA3 GLY A 102 -11.959 -5.937 19.059 1.00 34.31 H new TER 1285 GLY A 102