USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 669 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 22 ASN : amide:sc= 0.975 K(o=2.1,f=-3.1) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.998 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -174:sc= 1.99 (180deg=0.909) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0616 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.25) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.6!) USER MOD Single : A 23 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.91) USER MOD Single : A 26 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 27 SER OG : rot -150:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.077) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 58 MET CE :methyl 171:sc= -0.0919 (180deg=-0.391) USER MOD Single : A 64 GLN : amide:sc= 0.578 K(o=0.58,f=-0.19) USER MOD Single : A 65 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-6.5!) USER MOD Single : A 67 THR OG1 : rot -75:sc= 0.465 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.0925 (180deg=-0.566) USER MOD Single : A 75 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.54) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.724 10.746 4.879 1.00 35.12 N ATOM 2 CA GLY A 1 -14.956 10.500 3.449 1.00 73.22 C ATOM 3 C GLY A 1 -15.335 9.054 3.184 1.00 75.34 C ATOM 4 O GLY A 1 -15.802 8.333 4.069 1.00 24.04 O ATOM 0 H1 GLY A 1 -15.251 11.592 5.176 1.00 35.12 H new ATOM 0 H2 GLY A 1 -15.048 9.925 5.429 1.00 35.12 H new ATOM 0 H3 GLY A 1 -13.708 10.895 5.045 1.00 35.12 H new ATOM 0 HA2 GLY A 1 -15.749 11.156 3.091 1.00 73.22 H new ATOM 0 HA3 GLY A 1 -14.057 10.750 2.886 1.00 73.22 H new ATOM 8 N ASN A 2 -15.173 8.623 1.932 1.00 71.35 N ATOM 9 CA ASN A 2 -15.438 7.265 1.433 1.00 41.34 C ATOM 10 C ASN A 2 -14.180 6.744 0.738 1.00 53.14 C ATOM 11 O ASN A 2 -14.238 5.883 -0.143 1.00 44.05 O ATOM 12 CB ASN A 2 -16.672 7.180 0.512 1.00 34.45 C ATOM 13 CG ASN A 2 -16.597 8.016 -0.765 1.00 51.54 C ATOM 14 OD1 ASN A 2 -17.396 8.926 -0.949 1.00 62.14 O ATOM 15 ND2 ASN A 2 -15.657 7.748 -1.653 1.00 12.42 N ATOM 0 H ASN A 2 -14.835 9.243 1.196 1.00 71.35 H new ATOM 0 HA ASN A 2 -15.681 6.633 2.287 1.00 41.34 H new ATOM 0 HB2 ASN A 2 -16.826 6.137 0.235 1.00 34.45 H new ATOM 0 HB3 ASN A 2 -17.549 7.492 1.079 1.00 34.45 H new ATOM 0 HD21 ASN A 2 -15.589 8.302 -2.507 1.00 12.42 H new ATOM 0 HD22 ASN A 2 -14.999 6.987 -1.485 1.00 12.42 H new ATOM 22 N ARG A 3 -13.030 7.307 1.083 1.00 13.14 N ATOM 23 CA ARG A 3 -11.743 6.964 0.531 1.00 30.10 C ATOM 24 C ARG A 3 -10.796 6.817 1.712 1.00 52.22 C ATOM 25 O ARG A 3 -10.969 7.489 2.732 1.00 1.55 O ATOM 26 CB ARG A 3 -11.385 8.073 -0.478 1.00 72.54 C ATOM 27 CG ARG A 3 -10.823 7.538 -1.790 1.00 4.12 C ATOM 28 CD ARG A 3 -9.301 7.402 -1.805 1.00 33.13 C ATOM 29 NE ARG A 3 -8.698 8.527 -2.534 1.00 2.53 N ATOM 30 CZ ARG A 3 -8.456 8.538 -3.851 1.00 53.02 C ATOM 31 NH1 ARG A 3 -8.812 7.516 -4.628 1.00 63.33 N ATOM 32 NH2 ARG A 3 -7.817 9.575 -4.363 1.00 2.42 N ATOM 0 H ARG A 3 -12.975 8.045 1.785 1.00 13.14 H new ATOM 0 HA ARG A 3 -11.702 6.024 -0.020 1.00 30.10 H new ATOM 0 HB2 ARG A 3 -12.276 8.665 -0.687 1.00 72.54 H new ATOM 0 HB3 ARG A 3 -10.655 8.744 -0.025 1.00 72.54 H new ATOM 0 HG2 ARG A 3 -11.267 6.563 -1.993 1.00 4.12 H new ATOM 0 HG3 ARG A 3 -11.126 8.201 -2.600 1.00 4.12 H new ATOM 0 HD2 ARG A 3 -8.921 7.375 -0.784 1.00 33.13 H new ATOM 0 HD3 ARG A 3 -9.017 6.461 -2.275 1.00 33.13 H new ATOM 0 HE ARG A 3 -8.446 9.358 -1.999 1.00 2.53 H new ATOM 0 HH11 ARG A 3 -9.278 6.705 -4.222 1.00 63.33 H new ATOM 0 HH12 ARG A 3 -8.618 7.545 -5.629 1.00 63.33 H new ATOM 0 HH21 ARG A 3 -7.521 10.341 -3.758 1.00 2.42 H new ATOM 0 HH22 ARG A 3 -7.619 9.609 -5.363 1.00 2.42 H new ATOM 46 N PHE A 4 -9.857 5.889 1.621 1.00 21.23 N ATOM 47 CA PHE A 4 -8.866 5.610 2.653 1.00 13.51 C ATOM 48 C PHE A 4 -7.494 5.644 1.992 1.00 24.41 C ATOM 49 O PHE A 4 -7.406 5.644 0.759 1.00 24.52 O ATOM 50 CB PHE A 4 -9.114 4.228 3.279 1.00 4.10 C ATOM 51 CG PHE A 4 -10.442 4.006 3.988 1.00 50.34 C ATOM 52 CD1 PHE A 4 -10.559 4.256 5.369 1.00 73.12 C ATOM 53 CD2 PHE A 4 -11.525 3.423 3.301 1.00 75.54 C ATOM 54 CE1 PHE A 4 -11.741 3.927 6.055 1.00 73.45 C ATOM 55 CE2 PHE A 4 -12.695 3.060 3.997 1.00 41.21 C ATOM 56 CZ PHE A 4 -12.804 3.316 5.372 1.00 15.25 C ATOM 0 H PHE A 4 -9.759 5.289 0.802 1.00 21.23 H new ATOM 0 HA PHE A 4 -8.930 6.352 3.449 1.00 13.51 H new ATOM 0 HB2 PHE A 4 -9.025 3.481 2.491 1.00 4.10 H new ATOM 0 HB3 PHE A 4 -8.314 4.034 3.994 1.00 4.10 H new ATOM 0 HD1 PHE A 4 -9.735 4.704 5.905 1.00 73.12 H new ATOM 0 HD2 PHE A 4 -11.458 3.254 2.236 1.00 75.54 H new ATOM 0 HE1 PHE A 4 -11.831 4.145 7.109 1.00 73.45 H new ATOM 0 HE2 PHE A 4 -13.509 2.584 3.471 1.00 41.21 H new ATOM 0 HZ PHE A 4 -13.704 3.044 5.904 1.00 15.25 H new ATOM 66 N ILE A 5 -6.435 5.763 2.792 1.00 12.51 N ATOM 67 CA ILE A 5 -5.054 5.786 2.335 1.00 30.44 C ATOM 68 C ILE A 5 -4.288 4.866 3.277 1.00 53.54 C ATOM 69 O ILE A 5 -4.560 4.829 4.482 1.00 43.40 O ATOM 70 CB ILE A 5 -4.448 7.209 2.294 1.00 14.24 C ATOM 71 CG1 ILE A 5 -5.313 8.198 1.484 1.00 11.35 C ATOM 72 CG2 ILE A 5 -3.045 7.215 1.649 1.00 3.31 C ATOM 73 CD1 ILE A 5 -5.394 9.552 2.178 1.00 43.03 C ATOM 0 H ILE A 5 -6.521 5.848 3.805 1.00 12.51 H new ATOM 0 HA ILE A 5 -4.992 5.444 1.302 1.00 30.44 H new ATOM 0 HB ILE A 5 -4.398 7.522 3.337 1.00 14.24 H new ATOM 0 HG12 ILE A 5 -4.892 8.322 0.486 1.00 11.35 H new ATOM 0 HG13 ILE A 5 -6.316 7.790 1.358 1.00 11.35 H new ATOM 0 HG21 ILE A 5 -2.654 8.232 1.639 1.00 3.31 H new ATOM 0 HG22 ILE A 5 -2.377 6.575 2.225 1.00 3.31 H new ATOM 0 HG23 ILE A 5 -3.113 6.842 0.627 1.00 3.31 H new ATOM 0 HD11 ILE A 5 -6.009 10.229 1.585 1.00 43.03 H new ATOM 0 HD12 ILE A 5 -5.838 9.429 3.166 1.00 43.03 H new ATOM 0 HD13 ILE A 5 -4.392 9.969 2.281 1.00 43.03 H new ATOM 85 N VAL A 6 -3.318 4.165 2.712 1.00 3.25 N ATOM 86 CA VAL A 6 -2.436 3.234 3.375 1.00 2.01 C ATOM 87 C VAL A 6 -1.033 3.779 3.191 1.00 30.21 C ATOM 88 O VAL A 6 -0.647 4.165 2.081 1.00 23.50 O ATOM 89 CB VAL A 6 -2.619 1.842 2.755 1.00 31.01 C ATOM 90 CG1 VAL A 6 -1.515 0.853 3.157 1.00 31.12 C ATOM 91 CG2 VAL A 6 -4.008 1.314 3.126 1.00 41.21 C ATOM 0 H VAL A 6 -3.118 4.240 1.715 1.00 3.25 H new ATOM 0 HA VAL A 6 -2.647 3.129 4.439 1.00 2.01 H new ATOM 0 HB VAL A 6 -2.537 1.939 1.672 1.00 31.01 H new ATOM 0 HG11 VAL A 6 -1.702 -0.112 2.686 1.00 31.12 H new ATOM 0 HG12 VAL A 6 -0.548 1.235 2.830 1.00 31.12 H new ATOM 0 HG13 VAL A 6 -1.511 0.733 4.240 1.00 31.12 H new ATOM 0 HG21 VAL A 6 -4.149 0.325 2.691 1.00 41.21 H new ATOM 0 HG22 VAL A 6 -4.095 1.249 4.211 1.00 41.21 H new ATOM 0 HG23 VAL A 6 -4.770 1.992 2.741 1.00 41.21 H new ATOM 101 N PHE A 7 -0.321 3.883 4.305 1.00 42.04 N ATOM 102 CA PHE A 7 1.042 4.355 4.376 1.00 55.23 C ATOM 103 C PHE A 7 1.893 3.102 4.500 1.00 75.12 C ATOM 104 O PHE A 7 1.530 2.162 5.215 1.00 51.33 O ATOM 105 CB PHE A 7 1.208 5.241 5.615 1.00 1.23 C ATOM 106 CG PHE A 7 2.589 5.837 5.810 1.00 43.20 C ATOM 107 CD1 PHE A 7 3.592 5.116 6.487 1.00 22.03 C ATOM 108 CD2 PHE A 7 2.860 7.144 5.361 1.00 3.14 C ATOM 109 CE1 PHE A 7 4.827 5.715 6.770 1.00 74.43 C ATOM 110 CE2 PHE A 7 4.095 7.747 5.643 1.00 21.21 C ATOM 111 CZ PHE A 7 5.065 7.034 6.362 1.00 22.32 C ATOM 0 H PHE A 7 -0.699 3.629 5.218 1.00 42.04 H new ATOM 0 HA PHE A 7 1.327 4.947 3.507 1.00 55.23 H new ATOM 0 HB2 PHE A 7 0.485 6.055 5.558 1.00 1.23 H new ATOM 0 HB3 PHE A 7 0.957 4.653 6.498 1.00 1.23 H new ATOM 0 HD1 PHE A 7 3.408 4.096 6.790 1.00 22.03 H new ATOM 0 HD2 PHE A 7 2.114 7.684 4.797 1.00 3.14 H new ATOM 0 HE1 PHE A 7 5.590 5.164 7.299 1.00 74.43 H new ATOM 0 HE2 PHE A 7 4.297 8.754 5.308 1.00 21.21 H new ATOM 0 HZ PHE A 7 6.006 7.507 6.604 1.00 22.32 H new ATOM 121 N VAL A 8 3.018 3.077 3.803 1.00 21.00 N ATOM 122 CA VAL A 8 3.952 1.966 3.827 1.00 51.23 C ATOM 123 C VAL A 8 5.316 2.633 3.870 1.00 5.44 C ATOM 124 O VAL A 8 5.529 3.524 3.047 1.00 74.31 O ATOM 125 CB VAL A 8 3.779 1.056 2.592 1.00 40.30 C ATOM 126 CG1 VAL A 8 4.578 -0.247 2.747 1.00 74.34 C ATOM 127 CG2 VAL A 8 2.310 0.700 2.308 1.00 43.14 C ATOM 0 H VAL A 8 3.311 3.842 3.195 1.00 21.00 H new ATOM 0 HA VAL A 8 3.798 1.302 4.678 1.00 51.23 H new ATOM 0 HB VAL A 8 4.159 1.633 1.749 1.00 40.30 H new ATOM 0 HG11 VAL A 8 4.437 -0.868 1.862 1.00 74.34 H new ATOM 0 HG12 VAL A 8 5.637 -0.013 2.861 1.00 74.34 H new ATOM 0 HG13 VAL A 8 4.228 -0.786 3.628 1.00 74.34 H new ATOM 0 HG21 VAL A 8 2.255 0.059 1.428 1.00 43.14 H new ATOM 0 HG22 VAL A 8 1.890 0.176 3.166 1.00 43.14 H new ATOM 0 HG23 VAL A 8 1.743 1.613 2.128 1.00 43.14 H new ATOM 137 N GLY A 9 6.203 2.287 4.812 1.00 51.12 N ATOM 138 CA GLY A 9 7.529 2.900 4.894 1.00 41.33 C ATOM 139 C GLY A 9 8.641 1.872 5.053 1.00 11.24 C ATOM 140 O GLY A 9 8.379 0.671 5.126 1.00 55.44 O ATOM 0 H GLY A 9 6.023 1.584 5.528 1.00 51.12 H new ATOM 0 HA2 GLY A 9 7.709 3.488 3.994 1.00 41.33 H new ATOM 0 HA3 GLY A 9 7.554 3.590 5.737 1.00 41.33 H new ATOM 144 N SER A 10 9.879 2.371 5.124 1.00 54.12 N ATOM 145 CA SER A 10 11.131 1.620 5.235 1.00 3.11 C ATOM 146 C SER A 10 11.470 0.943 3.891 1.00 33.21 C ATOM 147 O SER A 10 12.270 0.009 3.836 1.00 31.51 O ATOM 148 CB SER A 10 11.099 0.626 6.413 1.00 43.11 C ATOM 149 OG SER A 10 12.186 0.840 7.299 1.00 21.33 O ATOM 0 H SER A 10 10.043 3.378 5.104 1.00 54.12 H new ATOM 0 HA SER A 10 11.936 2.320 5.459 1.00 3.11 H new ATOM 0 HB2 SER A 10 10.159 0.732 6.955 1.00 43.11 H new ATOM 0 HB3 SER A 10 11.134 -0.394 6.031 1.00 43.11 H new ATOM 0 HG SER A 10 12.138 0.196 8.037 1.00 21.33 H new ATOM 155 N LEU A 11 10.853 1.400 2.794 1.00 61.45 N ATOM 156 CA LEU A 11 11.030 0.861 1.451 1.00 70.13 C ATOM 157 C LEU A 11 12.504 0.844 1.030 1.00 51.43 C ATOM 158 O LEU A 11 13.269 1.746 1.399 1.00 64.15 O ATOM 159 CB LEU A 11 10.186 1.634 0.416 1.00 31.40 C ATOM 160 CG LEU A 11 8.719 1.175 0.315 1.00 73.10 C ATOM 161 CD1 LEU A 11 7.953 1.173 1.649 1.00 25.51 C ATOM 162 CD2 LEU A 11 7.960 2.081 -0.648 1.00 23.12 C ATOM 0 H LEU A 11 10.197 2.180 2.824 1.00 61.45 H new ATOM 0 HA LEU A 11 10.678 -0.170 1.480 1.00 70.13 H new ATOM 0 HB2 LEU A 11 10.205 2.694 0.670 1.00 31.40 H new ATOM 0 HB3 LEU A 11 10.653 1.532 -0.563 1.00 31.40 H new ATOM 0 HG LEU A 11 8.769 0.143 -0.034 1.00 73.10 H new ATOM 0 HD11 LEU A 11 6.930 0.836 1.481 1.00 25.51 H new ATOM 0 HD12 LEU A 11 8.446 0.500 2.351 1.00 25.51 H new ATOM 0 HD13 LEU A 11 7.940 2.182 2.062 1.00 25.51 H new ATOM 0 HD21 LEU A 11 6.923 1.752 -0.716 1.00 23.12 H new ATOM 0 HD22 LEU A 11 7.992 3.108 -0.283 1.00 23.12 H new ATOM 0 HD23 LEU A 11 8.422 2.032 -1.634 1.00 23.12 H new ATOM 174 N PRO A 12 12.891 -0.137 0.199 1.00 45.42 N ATOM 175 CA PRO A 12 14.251 -0.296 -0.293 1.00 31.14 C ATOM 176 C PRO A 12 14.687 0.870 -1.167 1.00 14.35 C ATOM 177 O PRO A 12 13.867 1.541 -1.802 1.00 51.32 O ATOM 178 CB PRO A 12 14.263 -1.616 -1.077 1.00 41.35 C ATOM 179 CG PRO A 12 12.795 -1.856 -1.423 1.00 63.52 C ATOM 180 CD PRO A 12 12.046 -1.217 -0.275 1.00 75.32 C ATOM 0 HA PRO A 12 14.960 -0.314 0.535 1.00 31.14 H new ATOM 0 HB2 PRO A 12 14.877 -1.541 -1.974 1.00 41.35 H new ATOM 0 HB3 PRO A 12 14.670 -2.431 -0.479 1.00 41.35 H new ATOM 0 HG2 PRO A 12 12.529 -1.401 -2.377 1.00 63.52 H new ATOM 0 HG3 PRO A 12 12.572 -2.920 -1.504 1.00 63.52 H new ATOM 0 HD2 PRO A 12 11.077 -0.840 -0.602 1.00 75.32 H new ATOM 0 HD3 PRO A 12 11.855 -1.940 0.518 1.00 75.32 H new ATOM 188 N ARG A 13 16.000 1.108 -1.212 1.00 62.41 N ATOM 189 CA ARG A 13 16.560 2.181 -2.023 1.00 51.41 C ATOM 190 C ARG A 13 16.319 1.881 -3.503 1.00 53.32 C ATOM 191 O ARG A 13 16.026 2.813 -4.251 1.00 53.24 O ATOM 192 CB ARG A 13 18.054 2.373 -1.712 1.00 42.01 C ATOM 193 CG ARG A 13 18.360 3.045 -0.362 1.00 63.44 C ATOM 194 CD ARG A 13 17.803 4.474 -0.332 1.00 64.13 C ATOM 195 NE ARG A 13 18.501 5.348 0.625 1.00 30.31 N ATOM 196 CZ ARG A 13 18.352 6.676 0.664 1.00 41.11 C ATOM 197 NH1 ARG A 13 17.417 7.272 -0.067 1.00 54.22 N ATOM 198 NH2 ARG A 13 19.145 7.408 1.437 1.00 74.04 N ATOM 0 H ARG A 13 16.693 0.568 -0.693 1.00 62.41 H new ATOM 0 HA ARG A 13 16.061 3.119 -1.780 1.00 51.41 H new ATOM 0 HB2 ARG A 13 18.542 1.398 -1.734 1.00 42.01 H new ATOM 0 HB3 ARG A 13 18.501 2.970 -2.507 1.00 42.01 H new ATOM 0 HG2 ARG A 13 17.923 2.461 0.448 1.00 63.44 H new ATOM 0 HG3 ARG A 13 19.437 3.065 -0.195 1.00 63.44 H new ATOM 0 HD2 ARG A 13 17.876 4.907 -1.330 1.00 64.13 H new ATOM 0 HD3 ARG A 13 16.744 4.439 -0.077 1.00 64.13 H new ATOM 0 HE ARG A 13 19.135 4.916 1.297 1.00 30.31 H new ATOM 0 HH11 ARG A 13 16.805 6.716 -0.665 1.00 54.22 H new ATOM 0 HH12 ARG A 13 17.311 8.286 -0.031 1.00 54.22 H new ATOM 0 HH21 ARG A 13 19.866 6.957 2.000 1.00 74.04 H new ATOM 0 HH22 ARG A 13 19.033 8.421 1.468 1.00 74.04 H new ATOM 212 N ASP A 14 16.342 0.603 -3.900 1.00 75.31 N ATOM 213 CA ASP A 14 16.118 0.154 -5.278 1.00 33.52 C ATOM 214 C ASP A 14 14.652 -0.194 -5.554 1.00 4.34 C ATOM 215 O ASP A 14 14.368 -0.981 -6.461 1.00 33.45 O ATOM 216 CB ASP A 14 17.054 -0.990 -5.654 1.00 42.20 C ATOM 217 CG ASP A 14 18.442 -0.512 -6.038 1.00 71.34 C ATOM 218 OD1 ASP A 14 18.557 0.318 -6.969 1.00 62.02 O ATOM 219 OD2 ASP A 14 19.430 -1.019 -5.462 1.00 30.01 O ATOM 0 H ASP A 14 16.522 -0.166 -3.255 1.00 75.31 H new ATOM 0 HA ASP A 14 16.358 0.999 -5.924 1.00 33.52 H new ATOM 0 HB2 ASP A 14 17.132 -1.681 -4.814 1.00 42.20 H new ATOM 0 HB3 ASP A 14 16.623 -1.547 -6.486 1.00 42.20 H new ATOM 224 N ILE A 15 13.706 0.317 -4.756 1.00 14.05 N ATOM 225 CA ILE A 15 12.286 0.050 -4.974 1.00 2.42 C ATOM 226 C ILE A 15 11.907 0.380 -6.428 1.00 11.35 C ATOM 227 O ILE A 15 12.346 1.397 -6.976 1.00 0.01 O ATOM 228 CB ILE A 15 11.410 0.811 -3.956 1.00 52.24 C ATOM 229 CG1 ILE A 15 9.926 0.393 -4.053 1.00 23.15 C ATOM 230 CG2 ILE A 15 11.543 2.332 -4.107 1.00 32.42 C ATOM 231 CD1 ILE A 15 9.683 -1.055 -3.648 1.00 1.24 C ATOM 0 H ILE A 15 13.902 0.917 -3.955 1.00 14.05 H new ATOM 0 HA ILE A 15 12.098 -1.011 -4.811 1.00 2.42 H new ATOM 0 HB ILE A 15 11.779 0.537 -2.968 1.00 52.24 H new ATOM 0 HG12 ILE A 15 9.329 1.047 -3.417 1.00 23.15 H new ATOM 0 HG13 ILE A 15 9.580 0.540 -5.076 1.00 23.15 H new ATOM 0 HG21 ILE A 15 10.910 2.827 -3.371 1.00 32.42 H new ATOM 0 HG22 ILE A 15 12.581 2.624 -3.948 1.00 32.42 H new ATOM 0 HG23 ILE A 15 11.233 2.627 -5.110 1.00 32.42 H new ATOM 0 HD11 ILE A 15 8.621 -1.285 -3.738 1.00 1.24 H new ATOM 0 HD12 ILE A 15 10.254 -1.716 -4.300 1.00 1.24 H new ATOM 0 HD13 ILE A 15 9.999 -1.202 -2.615 1.00 1.24 H new ATOM 243 N THR A 16 11.084 -0.463 -7.046 1.00 2.13 N ATOM 244 CA THR A 16 10.627 -0.284 -8.411 1.00 62.03 C ATOM 245 C THR A 16 9.107 -0.313 -8.418 1.00 43.43 C ATOM 246 O THR A 16 8.482 -0.964 -7.576 1.00 73.54 O ATOM 247 CB THR A 16 11.218 -1.371 -9.324 1.00 45.45 C ATOM 248 OG1 THR A 16 11.144 -2.633 -8.683 1.00 21.25 O ATOM 249 CG2 THR A 16 12.670 -1.066 -9.692 1.00 73.22 C ATOM 0 H THR A 16 10.713 -1.302 -6.600 1.00 2.13 H new ATOM 0 HA THR A 16 10.967 0.677 -8.798 1.00 62.03 H new ATOM 0 HB THR A 16 10.632 -1.389 -10.243 1.00 45.45 H new ATOM 0 HG1 THR A 16 11.520 -3.321 -9.271 1.00 21.25 H new ATOM 0 HG21 THR A 16 13.055 -1.855 -10.338 1.00 73.22 H new ATOM 0 HG22 THR A 16 12.720 -0.112 -10.216 1.00 73.22 H new ATOM 0 HG23 THR A 16 13.272 -1.014 -8.785 1.00 73.22 H new ATOM 257 N ALA A 17 8.510 0.396 -9.374 1.00 65.32 N ATOM 258 CA ALA A 17 7.068 0.438 -9.511 1.00 2.54 C ATOM 259 C ALA A 17 6.532 -0.951 -9.877 1.00 14.41 C ATOM 260 O ALA A 17 5.384 -1.235 -9.553 1.00 55.21 O ATOM 261 CB ALA A 17 6.687 1.502 -10.532 1.00 1.42 C ATOM 0 H ALA A 17 9.013 0.951 -10.067 1.00 65.32 H new ATOM 0 HA ALA A 17 6.607 0.713 -8.562 1.00 2.54 H new ATOM 0 HB1 ALA A 17 5.602 1.535 -10.636 1.00 1.42 H new ATOM 0 HB2 ALA A 17 7.049 2.474 -10.197 1.00 1.42 H new ATOM 0 HB3 ALA A 17 7.137 1.260 -11.495 1.00 1.42 H new ATOM 267 N VAL A 18 7.324 -1.820 -10.522 1.00 72.11 N ATOM 268 CA VAL A 18 6.883 -3.172 -10.859 1.00 21.00 C ATOM 269 C VAL A 18 6.653 -3.948 -9.565 1.00 63.44 C ATOM 270 O VAL A 18 5.663 -4.676 -9.480 1.00 31.11 O ATOM 271 CB VAL A 18 7.841 -3.894 -11.837 1.00 32.31 C ATOM 272 CG1 VAL A 18 9.311 -3.941 -11.398 1.00 34.30 C ATOM 273 CG2 VAL A 18 7.379 -5.338 -12.099 1.00 50.53 C ATOM 0 H VAL A 18 8.276 -1.605 -10.819 1.00 72.11 H new ATOM 0 HA VAL A 18 5.942 -3.111 -11.405 1.00 21.00 H new ATOM 0 HB VAL A 18 7.794 -3.286 -12.741 1.00 32.31 H new ATOM 0 HG11 VAL A 18 9.899 -4.467 -12.150 1.00 34.30 H new ATOM 0 HG12 VAL A 18 9.690 -2.925 -11.287 1.00 34.30 H new ATOM 0 HG13 VAL A 18 9.390 -4.464 -10.445 1.00 34.30 H new ATOM 0 HG21 VAL A 18 8.070 -5.822 -12.789 1.00 50.53 H new ATOM 0 HG22 VAL A 18 7.359 -5.890 -11.159 1.00 50.53 H new ATOM 0 HG23 VAL A 18 6.380 -5.327 -12.534 1.00 50.53 H new ATOM 283 N GLU A 19 7.533 -3.796 -8.566 1.00 34.34 N ATOM 284 CA GLU A 19 7.366 -4.516 -7.316 1.00 71.23 C ATOM 285 C GLU A 19 6.141 -3.971 -6.612 1.00 23.34 C ATOM 286 O GLU A 19 5.310 -4.752 -6.175 1.00 63.43 O ATOM 287 CB GLU A 19 8.628 -4.403 -6.454 1.00 52.02 C ATOM 288 CG GLU A 19 9.655 -5.457 -6.878 1.00 42.23 C ATOM 289 CD GLU A 19 9.241 -6.892 -6.533 1.00 51.23 C ATOM 290 OE1 GLU A 19 9.465 -7.326 -5.384 1.00 73.22 O ATOM 291 OE2 GLU A 19 8.709 -7.598 -7.427 1.00 62.45 O ATOM 0 H GLU A 19 8.352 -3.189 -8.606 1.00 34.34 H new ATOM 0 HA GLU A 19 7.218 -5.579 -7.507 1.00 71.23 H new ATOM 0 HB2 GLU A 19 9.057 -3.406 -6.554 1.00 52.02 H new ATOM 0 HB3 GLU A 19 8.372 -4.536 -5.403 1.00 52.02 H new ATOM 0 HG2 GLU A 19 9.816 -5.383 -7.953 1.00 42.23 H new ATOM 0 HG3 GLU A 19 10.608 -5.237 -6.397 1.00 42.23 H new ATOM 298 N LEU A 20 5.979 -2.649 -6.549 1.00 74.11 N ATOM 299 CA LEU A 20 4.821 -2.052 -5.894 1.00 71.32 C ATOM 300 C LEU A 20 3.519 -2.508 -6.555 1.00 51.52 C ATOM 301 O LEU A 20 2.588 -2.902 -5.851 1.00 43.20 O ATOM 302 CB LEU A 20 4.959 -0.525 -5.890 1.00 34.15 C ATOM 303 CG LEU A 20 6.090 -0.026 -4.978 1.00 61.24 C ATOM 304 CD1 LEU A 20 6.069 1.495 -4.962 1.00 45.14 C ATOM 305 CD2 LEU A 20 5.980 -0.524 -3.533 1.00 42.34 C ATOM 0 H LEU A 20 6.635 -1.975 -6.943 1.00 74.11 H new ATOM 0 HA LEU A 20 4.782 -2.392 -4.859 1.00 71.32 H new ATOM 0 HB2 LEU A 20 5.141 -0.180 -6.908 1.00 34.15 H new ATOM 0 HB3 LEU A 20 4.017 -0.082 -5.567 1.00 34.15 H new ATOM 0 HG LEU A 20 7.020 -0.422 -5.385 1.00 61.24 H new ATOM 0 HD11 LEU A 20 6.867 1.863 -4.318 1.00 45.14 H new ATOM 0 HD12 LEU A 20 6.217 1.872 -5.974 1.00 45.14 H new ATOM 0 HD13 LEU A 20 5.108 1.842 -4.583 1.00 45.14 H new ATOM 0 HD21 LEU A 20 6.812 -0.132 -2.949 1.00 42.34 H new ATOM 0 HD22 LEU A 20 5.040 -0.182 -3.101 1.00 42.34 H new ATOM 0 HD23 LEU A 20 6.010 -1.614 -3.520 1.00 42.34 H new ATOM 317 N GLN A 21 3.439 -2.458 -7.885 1.00 50.51 N ATOM 318 CA GLN A 21 2.263 -2.877 -8.638 1.00 53.54 C ATOM 319 C GLN A 21 1.980 -4.360 -8.384 1.00 71.41 C ATOM 320 O GLN A 21 0.820 -4.745 -8.285 1.00 62.44 O ATOM 321 CB GLN A 21 2.505 -2.634 -10.141 1.00 72.14 C ATOM 322 CG GLN A 21 2.275 -1.172 -10.590 1.00 64.33 C ATOM 323 CD GLN A 21 0.890 -0.904 -11.188 1.00 33.21 C ATOM 324 OE1 GLN A 21 0.221 -1.809 -11.687 1.00 2.55 O ATOM 325 NE2 GLN A 21 0.441 0.338 -11.207 1.00 71.00 N ATOM 0 H GLN A 21 4.200 -2.121 -8.474 1.00 50.51 H new ATOM 0 HA GLN A 21 1.399 -2.296 -8.314 1.00 53.54 H new ATOM 0 HB2 GLN A 21 3.528 -2.921 -10.384 1.00 72.14 H new ATOM 0 HB3 GLN A 21 1.846 -3.287 -10.714 1.00 72.14 H new ATOM 0 HG2 GLN A 21 2.421 -0.514 -9.733 1.00 64.33 H new ATOM 0 HG3 GLN A 21 3.033 -0.908 -11.327 1.00 64.33 H new ATOM 0 HE21 GLN A 21 0.996 1.087 -10.793 1.00 71.00 H new ATOM 0 HE22 GLN A 21 -0.461 0.548 -11.635 1.00 71.00 H new ATOM 334 N ASN A 22 3.022 -5.188 -8.276 1.00 25.43 N ATOM 335 CA ASN A 22 2.912 -6.624 -8.049 1.00 45.22 C ATOM 336 C ASN A 22 2.519 -6.994 -6.619 1.00 20.32 C ATOM 337 O ASN A 22 1.551 -7.716 -6.415 1.00 42.13 O ATOM 338 CB ASN A 22 4.263 -7.282 -8.370 1.00 22.21 C ATOM 339 CG ASN A 22 4.243 -8.764 -8.042 1.00 63.03 C ATOM 340 OD1 ASN A 22 3.523 -9.516 -8.691 1.00 71.13 O ATOM 341 ND2 ASN A 22 5.013 -9.210 -7.068 1.00 71.10 N ATOM 0 H ASN A 22 3.988 -4.867 -8.346 1.00 25.43 H new ATOM 0 HA ASN A 22 2.116 -6.983 -8.701 1.00 45.22 H new ATOM 0 HB2 ASN A 22 4.496 -7.144 -9.426 1.00 22.21 H new ATOM 0 HB3 ASN A 22 5.054 -6.792 -7.802 1.00 22.21 H new ATOM 0 HD21 ASN A 22 5.020 -10.204 -6.838 1.00 71.10 H new ATOM 0 HD22 ASN A 22 5.601 -8.561 -6.545 1.00 71.10 H new ATOM 348 N HIS A 23 3.254 -6.517 -5.621 1.00 42.02 N ATOM 349 CA HIS A 23 3.016 -6.817 -4.215 1.00 63.54 C ATOM 350 C HIS A 23 1.618 -6.428 -3.732 1.00 0.21 C ATOM 351 O HIS A 23 1.036 -7.147 -2.920 1.00 42.40 O ATOM 352 CB HIS A 23 4.138 -6.203 -3.365 1.00 64.43 C ATOM 353 CG HIS A 23 5.018 -7.261 -2.763 1.00 32.13 C ATOM 354 ND1 HIS A 23 6.138 -7.826 -3.377 1.00 24.10 N ATOM 355 CD2 HIS A 23 4.851 -7.802 -1.525 1.00 5.21 C ATOM 356 CE1 HIS A 23 6.639 -8.687 -2.476 1.00 13.14 C ATOM 357 NE2 HIS A 23 5.891 -8.684 -1.358 1.00 64.24 N ATOM 0 H HIS A 23 4.050 -5.897 -5.771 1.00 42.02 H new ATOM 0 HA HIS A 23 3.041 -7.900 -4.095 1.00 63.54 H new ATOM 0 HB2 HIS A 23 4.740 -5.537 -3.983 1.00 64.43 H new ATOM 0 HB3 HIS A 23 3.703 -5.596 -2.571 1.00 64.43 H new ATOM 0 HD2 HIS A 23 4.063 -7.583 -0.819 1.00 5.21 H new ATOM 0 HE1 HIS A 23 7.518 -9.296 -2.628 1.00 13.14 H new ATOM 0 HE2 HIS A 23 6.067 -9.244 -0.524 1.00 64.24 H new ATOM 365 N PHE A 24 1.052 -5.335 -4.252 1.00 13.12 N ATOM 366 CA PHE A 24 -0.283 -4.855 -3.885 1.00 34.42 C ATOM 367 C PHE A 24 -1.358 -5.299 -4.874 1.00 11.44 C ATOM 368 O PHE A 24 -2.533 -4.982 -4.694 1.00 70.11 O ATOM 369 CB PHE A 24 -0.230 -3.356 -3.620 1.00 61.03 C ATOM 370 CG PHE A 24 0.556 -3.036 -2.359 1.00 13.41 C ATOM 371 CD1 PHE A 24 0.014 -3.290 -1.083 1.00 30.24 C ATOM 372 CD2 PHE A 24 1.863 -2.540 -2.457 1.00 2.31 C ATOM 373 CE1 PHE A 24 0.745 -2.995 0.083 1.00 24.03 C ATOM 374 CE2 PHE A 24 2.591 -2.218 -1.304 1.00 31.50 C ATOM 375 CZ PHE A 24 2.029 -2.435 -0.031 1.00 41.25 C ATOM 0 H PHE A 24 1.514 -4.751 -4.949 1.00 13.12 H new ATOM 0 HA PHE A 24 -0.594 -5.326 -2.953 1.00 34.42 H new ATOM 0 HB2 PHE A 24 0.227 -2.852 -4.472 1.00 61.03 H new ATOM 0 HB3 PHE A 24 -1.244 -2.967 -3.526 1.00 61.03 H new ATOM 0 HD1 PHE A 24 -0.975 -3.716 -0.999 1.00 30.24 H new ATOM 0 HD2 PHE A 24 2.313 -2.405 -3.429 1.00 2.31 H new ATOM 0 HE1 PHE A 24 0.323 -3.197 1.056 1.00 24.03 H new ATOM 0 HE2 PHE A 24 3.584 -1.803 -1.392 1.00 31.50 H new ATOM 0 HZ PHE A 24 2.584 -2.171 0.857 1.00 41.25 H new ATOM 385 N LYS A 25 -1.013 -6.104 -5.881 1.00 64.32 N ATOM 386 CA LYS A 25 -1.977 -6.601 -6.852 1.00 33.24 C ATOM 387 C LYS A 25 -3.053 -7.431 -6.142 1.00 54.02 C ATOM 388 O LYS A 25 -4.203 -7.480 -6.579 1.00 54.44 O ATOM 389 CB LYS A 25 -1.208 -7.387 -7.922 1.00 13.23 C ATOM 390 CG LYS A 25 -1.049 -8.895 -7.676 1.00 70.00 C ATOM 391 CD LYS A 25 -0.051 -9.477 -8.679 1.00 14.03 C ATOM 392 CE LYS A 25 0.255 -10.929 -8.321 1.00 11.24 C ATOM 393 NZ LYS A 25 1.440 -11.419 -9.045 1.00 53.13 N ATOM 0 H LYS A 25 -0.059 -6.426 -6.042 1.00 64.32 H new ATOM 0 HA LYS A 25 -2.505 -5.786 -7.347 1.00 33.24 H new ATOM 0 HB2 LYS A 25 -1.713 -7.248 -8.878 1.00 13.23 H new ATOM 0 HB3 LYS A 25 -0.214 -6.950 -8.020 1.00 13.23 H new ATOM 0 HG2 LYS A 25 -0.702 -9.073 -6.658 1.00 70.00 H new ATOM 0 HG3 LYS A 25 -2.013 -9.394 -7.776 1.00 70.00 H new ATOM 0 HD2 LYS A 25 -0.460 -9.420 -9.688 1.00 14.03 H new ATOM 0 HD3 LYS A 25 0.868 -8.890 -8.674 1.00 14.03 H new ATOM 0 HE2 LYS A 25 0.421 -11.014 -7.247 1.00 11.24 H new ATOM 0 HE3 LYS A 25 -0.605 -11.554 -8.561 1.00 11.24 H new ATOM 0 HZ1 LYS A 25 1.735 -12.335 -8.649 1.00 53.13 H new ATOM 0 HZ2 LYS A 25 1.208 -11.536 -10.052 1.00 53.13 H new ATOM 0 HZ3 LYS A 25 2.216 -10.733 -8.946 1.00 53.13 H new ATOM 407 N ASN A 26 -2.711 -8.067 -5.020 1.00 21.44 N ATOM 408 CA ASN A 26 -3.627 -8.886 -4.232 1.00 54.35 C ATOM 409 C ASN A 26 -4.626 -8.010 -3.460 1.00 22.51 C ATOM 410 O ASN A 26 -5.671 -8.514 -3.051 1.00 12.43 O ATOM 411 CB ASN A 26 -2.844 -9.778 -3.251 1.00 72.34 C ATOM 412 CG ASN A 26 -1.652 -10.487 -3.889 1.00 50.20 C ATOM 413 OD1 ASN A 26 -0.516 -10.082 -3.674 1.00 14.11 O ATOM 414 ND2 ASN A 26 -1.858 -11.485 -4.729 1.00 11.14 N ATOM 0 H ASN A 26 -1.770 -8.025 -4.628 1.00 21.44 H new ATOM 0 HA ASN A 26 -4.185 -9.520 -4.921 1.00 54.35 H new ATOM 0 HB2 ASN A 26 -2.491 -9.167 -2.420 1.00 72.34 H new ATOM 0 HB3 ASN A 26 -3.519 -10.525 -2.833 1.00 72.34 H new ATOM 0 HD21 ASN A 26 -1.069 -11.924 -5.203 1.00 11.14 H new ATOM 0 HD22 ASN A 26 -2.806 -11.817 -4.903 1.00 11.14 H new ATOM 421 N SER A 27 -4.357 -6.710 -3.288 1.00 32.41 N ATOM 422 CA SER A 27 -5.186 -5.738 -2.575 1.00 52.33 C ATOM 423 C SER A 27 -5.777 -4.645 -3.487 1.00 34.31 C ATOM 424 O SER A 27 -6.618 -3.882 -3.031 1.00 42.02 O ATOM 425 CB SER A 27 -4.401 -5.174 -1.383 1.00 53.13 C ATOM 426 OG SER A 27 -3.056 -4.918 -1.733 1.00 40.42 O ATOM 0 H SER A 27 -3.508 -6.288 -3.664 1.00 32.41 H new ATOM 0 HA SER A 27 -6.064 -6.259 -2.193 1.00 52.33 H new ATOM 0 HB2 SER A 27 -4.871 -4.253 -1.037 1.00 53.13 H new ATOM 0 HB3 SER A 27 -4.436 -5.881 -0.554 1.00 53.13 H new ATOM 0 HG SER A 27 -2.486 -5.027 -0.943 1.00 40.42 H new ATOM 432 N SER A 28 -5.414 -4.590 -4.770 1.00 54.13 N ATOM 433 CA SER A 28 -5.903 -3.639 -5.776 1.00 61.51 C ATOM 434 C SER A 28 -6.043 -2.184 -5.283 1.00 45.23 C ATOM 435 O SER A 28 -7.159 -1.725 -5.005 1.00 75.05 O ATOM 436 CB SER A 28 -7.232 -4.168 -6.341 1.00 75.01 C ATOM 437 OG SER A 28 -7.571 -3.565 -7.580 1.00 13.12 O ATOM 0 H SER A 28 -4.733 -5.243 -5.159 1.00 54.13 H new ATOM 0 HA SER A 28 -5.143 -3.580 -6.555 1.00 61.51 H new ATOM 0 HB2 SER A 28 -7.164 -5.248 -6.472 1.00 75.01 H new ATOM 0 HB3 SER A 28 -8.029 -3.984 -5.620 1.00 75.01 H new ATOM 0 HG SER A 28 -8.421 -3.933 -7.901 1.00 13.12 H new ATOM 443 N PRO A 29 -4.946 -1.422 -5.162 1.00 11.35 N ATOM 444 CA PRO A 29 -5.018 -0.022 -4.735 1.00 62.41 C ATOM 445 C PRO A 29 -5.652 0.838 -5.850 1.00 33.22 C ATOM 446 O PRO A 29 -5.818 0.386 -6.987 1.00 72.42 O ATOM 447 CB PRO A 29 -3.558 0.367 -4.478 1.00 3.42 C ATOM 448 CG PRO A 29 -2.778 -0.523 -5.450 1.00 61.22 C ATOM 449 CD PRO A 29 -3.574 -1.825 -5.449 1.00 31.54 C ATOM 0 HA PRO A 29 -5.636 0.129 -3.850 1.00 62.41 H new ATOM 0 HB2 PRO A 29 -3.384 1.425 -4.674 1.00 3.42 H new ATOM 0 HB3 PRO A 29 -3.269 0.182 -3.443 1.00 3.42 H new ATOM 0 HG2 PRO A 29 -2.727 -0.083 -6.446 1.00 61.22 H new ATOM 0 HG3 PRO A 29 -1.752 -0.679 -5.118 1.00 61.22 H new ATOM 0 HD2 PRO A 29 -3.504 -2.332 -6.411 1.00 31.54 H new ATOM 0 HD3 PRO A 29 -3.199 -2.517 -4.695 1.00 31.54 H new ATOM 457 N ASP A 30 -6.058 2.071 -5.540 1.00 12.15 N ATOM 458 CA ASP A 30 -6.651 3.002 -6.500 1.00 51.31 C ATOM 459 C ASP A 30 -5.553 3.856 -7.126 1.00 23.53 C ATOM 460 O ASP A 30 -5.633 4.221 -8.299 1.00 72.24 O ATOM 461 CB ASP A 30 -7.696 3.932 -5.864 1.00 14.32 C ATOM 462 CG ASP A 30 -8.359 4.773 -6.957 1.00 64.15 C ATOM 463 OD1 ASP A 30 -8.905 4.163 -7.905 1.00 62.13 O ATOM 464 OD2 ASP A 30 -8.287 6.027 -6.919 1.00 45.14 O ATOM 0 H ASP A 30 -5.982 2.456 -4.599 1.00 12.15 H new ATOM 0 HA ASP A 30 -7.159 2.399 -7.253 1.00 51.31 H new ATOM 0 HB2 ASP A 30 -8.447 3.345 -5.335 1.00 14.32 H new ATOM 0 HB3 ASP A 30 -7.222 4.581 -5.128 1.00 14.32 H new ATOM 469 N GLN A 31 -4.508 4.153 -6.349 1.00 32.21 N ATOM 470 CA GLN A 31 -3.354 4.933 -6.761 1.00 1.14 C ATOM 471 C GLN A 31 -2.117 4.344 -6.090 1.00 12.43 C ATOM 472 O GLN A 31 -2.222 3.776 -5.001 1.00 71.23 O ATOM 473 CB GLN A 31 -3.554 6.408 -6.375 1.00 41.51 C ATOM 474 CG GLN A 31 -2.386 7.311 -6.803 1.00 25.50 C ATOM 475 CD GLN A 31 -2.749 8.787 -6.716 1.00 24.05 C ATOM 476 OE1 GLN A 31 -3.444 9.297 -7.593 1.00 3.32 O ATOM 477 NE2 GLN A 31 -2.262 9.494 -5.708 1.00 53.30 N ATOM 0 H GLN A 31 -4.447 3.841 -5.380 1.00 32.21 H new ATOM 0 HA GLN A 31 -3.228 4.893 -7.843 1.00 1.14 H new ATOM 0 HB2 GLN A 31 -4.474 6.774 -6.831 1.00 41.51 H new ATOM 0 HB3 GLN A 31 -3.683 6.480 -5.295 1.00 41.51 H new ATOM 0 HG2 GLN A 31 -1.522 7.112 -6.169 1.00 25.50 H new ATOM 0 HG3 GLN A 31 -2.095 7.068 -7.825 1.00 25.50 H new ATOM 0 HE21 GLN A 31 -1.689 9.040 -4.997 1.00 53.30 H new ATOM 0 HE22 GLN A 31 -2.460 10.492 -5.643 1.00 53.30 H new ATOM 486 N ILE A 32 -0.949 4.518 -6.711 1.00 31.21 N ATOM 487 CA ILE A 32 0.338 4.031 -6.236 1.00 31.52 C ATOM 488 C ILE A 32 1.325 5.187 -6.374 1.00 31.52 C ATOM 489 O ILE A 32 1.756 5.507 -7.487 1.00 62.12 O ATOM 490 CB ILE A 32 0.758 2.780 -7.051 1.00 22.02 C ATOM 491 CG1 ILE A 32 -0.243 1.622 -6.823 1.00 51.31 C ATOM 492 CG2 ILE A 32 2.188 2.339 -6.679 1.00 71.44 C ATOM 493 CD1 ILE A 32 -0.038 0.426 -7.758 1.00 24.35 C ATOM 0 H ILE A 32 -0.876 5.023 -7.594 1.00 31.21 H new ATOM 0 HA ILE A 32 0.301 3.715 -5.193 1.00 31.52 H new ATOM 0 HB ILE A 32 0.747 3.043 -8.109 1.00 22.02 H new ATOM 0 HG12 ILE A 32 -0.159 1.281 -5.791 1.00 51.31 H new ATOM 0 HG13 ILE A 32 -1.257 2.001 -6.952 1.00 51.31 H new ATOM 0 HG21 ILE A 32 2.461 1.460 -7.263 1.00 71.44 H new ATOM 0 HG22 ILE A 32 2.886 3.148 -6.894 1.00 71.44 H new ATOM 0 HG23 ILE A 32 2.229 2.096 -5.617 1.00 71.44 H new ATOM 0 HD11 ILE A 32 -0.779 -0.342 -7.534 1.00 24.35 H new ATOM 0 HD12 ILE A 32 -0.152 0.749 -8.793 1.00 24.35 H new ATOM 0 HD13 ILE A 32 0.962 0.018 -7.613 1.00 24.35 H new ATOM 505 N ARG A 33 1.700 5.834 -5.265 1.00 20.13 N ATOM 506 CA ARG A 33 2.652 6.946 -5.302 1.00 75.41 C ATOM 507 C ARG A 33 3.827 6.616 -4.402 1.00 3.12 C ATOM 508 O ARG A 33 3.706 6.684 -3.178 1.00 45.31 O ATOM 509 CB ARG A 33 1.966 8.273 -4.939 1.00 32.01 C ATOM 510 CG ARG A 33 2.364 9.388 -5.923 1.00 43.44 C ATOM 511 CD ARG A 33 1.587 10.687 -5.701 1.00 4.43 C ATOM 512 NE ARG A 33 1.668 11.629 -6.832 1.00 42.15 N ATOM 513 CZ ARG A 33 2.590 12.567 -7.085 1.00 2.00 C ATOM 514 NH1 ARG A 33 3.743 12.587 -6.427 1.00 13.51 N ATOM 515 NH2 ARG A 33 2.348 13.513 -7.987 1.00 41.20 N ATOM 0 H ARG A 33 1.358 5.606 -4.332 1.00 20.13 H new ATOM 0 HA ARG A 33 3.033 7.081 -6.314 1.00 75.41 H new ATOM 0 HB2 ARG A 33 0.884 8.142 -4.951 1.00 32.01 H new ATOM 0 HB3 ARG A 33 2.241 8.563 -3.925 1.00 32.01 H new ATOM 0 HG2 ARG A 33 3.431 9.588 -5.825 1.00 43.44 H new ATOM 0 HG3 ARG A 33 2.197 9.041 -6.943 1.00 43.44 H new ATOM 0 HD2 ARG A 33 0.540 10.446 -5.515 1.00 4.43 H new ATOM 0 HD3 ARG A 33 1.966 11.177 -4.804 1.00 4.43 H new ATOM 0 HE ARG A 33 0.917 11.556 -7.518 1.00 42.15 H new ATOM 0 HH11 ARG A 33 3.937 11.881 -5.717 1.00 13.51 H new ATOM 0 HH12 ARG A 33 4.435 13.308 -6.632 1.00 13.51 H new ATOM 0 HH21 ARG A 33 1.459 13.525 -8.487 1.00 41.20 H new ATOM 0 HH22 ARG A 33 3.051 14.227 -8.179 1.00 41.20 H new ATOM 529 N LEU A 34 4.949 6.244 -5.011 1.00 2.44 N ATOM 530 CA LEU A 34 6.197 5.909 -4.338 1.00 53.03 C ATOM 531 C LEU A 34 6.902 7.235 -4.069 1.00 72.13 C ATOM 532 O LEU A 34 7.023 8.050 -4.980 1.00 61.33 O ATOM 533 CB LEU A 34 7.012 4.960 -5.249 1.00 25.25 C ATOM 534 CG LEU A 34 8.356 4.406 -4.711 1.00 24.22 C ATOM 535 CD1 LEU A 34 9.515 5.336 -5.087 1.00 73.32 C ATOM 536 CD2 LEU A 34 8.349 4.206 -3.198 1.00 45.52 C ATOM 0 H LEU A 34 5.015 6.165 -6.026 1.00 2.44 H new ATOM 0 HA LEU A 34 6.054 5.384 -3.393 1.00 53.03 H new ATOM 0 HB2 LEU A 34 6.377 4.110 -5.498 1.00 25.25 H new ATOM 0 HB3 LEU A 34 7.218 5.487 -6.180 1.00 25.25 H new ATOM 0 HG LEU A 34 8.491 3.431 -5.178 1.00 24.22 H new ATOM 0 HD11 LEU A 34 10.449 4.929 -4.700 1.00 73.32 H new ATOM 0 HD12 LEU A 34 9.578 5.419 -6.172 1.00 73.32 H new ATOM 0 HD13 LEU A 34 9.344 6.323 -4.657 1.00 73.32 H new ATOM 0 HD21 LEU A 34 9.315 3.817 -2.878 1.00 45.52 H new ATOM 0 HD22 LEU A 34 8.161 5.160 -2.706 1.00 45.52 H new ATOM 0 HD23 LEU A 34 7.565 3.498 -2.928 1.00 45.52 H new ATOM 548 N ARG A 35 7.307 7.501 -2.829 1.00 63.32 N ATOM 549 CA ARG A 35 8.005 8.709 -2.401 1.00 75.21 C ATOM 550 C ARG A 35 9.359 8.238 -1.884 1.00 0.11 C ATOM 551 O ARG A 35 9.543 7.993 -0.685 1.00 61.01 O ATOM 552 CB ARG A 35 7.189 9.476 -1.343 1.00 24.14 C ATOM 553 CG ARG A 35 6.119 10.411 -1.924 1.00 33.21 C ATOM 554 CD ARG A 35 4.987 9.707 -2.694 1.00 24.50 C ATOM 555 NE ARG A 35 3.693 10.421 -2.632 1.00 21.41 N ATOM 556 CZ ARG A 35 3.459 11.727 -2.787 1.00 71.32 C ATOM 557 NH1 ARG A 35 4.376 12.538 -3.285 1.00 54.25 N ATOM 558 NH2 ARG A 35 2.273 12.205 -2.462 1.00 5.11 N ATOM 0 H ARG A 35 7.150 6.849 -2.060 1.00 63.32 H new ATOM 0 HA ARG A 35 8.138 9.420 -3.216 1.00 75.21 H new ATOM 0 HB2 ARG A 35 6.706 8.756 -0.682 1.00 24.14 H new ATOM 0 HB3 ARG A 35 7.873 10.063 -0.729 1.00 24.14 H new ATOM 0 HG2 ARG A 35 5.680 10.987 -1.109 1.00 33.21 H new ATOM 0 HG3 ARG A 35 6.604 11.123 -2.592 1.00 33.21 H new ATOM 0 HD2 ARG A 35 5.282 9.598 -3.738 1.00 24.50 H new ATOM 0 HD3 ARG A 35 4.857 8.702 -2.293 1.00 24.50 H new ATOM 0 HE ARG A 35 2.874 9.842 -2.447 1.00 21.41 H new ATOM 0 HH11 ARG A 35 5.287 12.170 -3.561 1.00 54.25 H new ATOM 0 HH12 ARG A 35 4.173 13.532 -3.394 1.00 54.25 H new ATOM 0 HH21 ARG A 35 1.553 11.580 -2.099 1.00 5.11 H new ATOM 0 HH22 ARG A 35 2.076 13.200 -2.573 1.00 5.11 H new ATOM 572 N ALA A 36 10.312 8.093 -2.805 1.00 52.20 N ATOM 573 CA ALA A 36 11.667 7.640 -2.510 1.00 41.11 C ATOM 574 C ALA A 36 12.365 8.493 -1.447 1.00 72.33 C ATOM 575 O ALA A 36 13.185 7.963 -0.699 1.00 51.14 O ATOM 576 CB ALA A 36 12.486 7.657 -3.801 1.00 3.10 C ATOM 0 H ALA A 36 10.159 8.291 -3.794 1.00 52.20 H new ATOM 0 HA ALA A 36 11.595 6.631 -2.105 1.00 41.11 H new ATOM 0 HB1 ALA A 36 13.501 7.320 -3.592 1.00 3.10 H new ATOM 0 HB2 ALA A 36 12.026 6.992 -4.532 1.00 3.10 H new ATOM 0 HB3 ALA A 36 12.515 8.671 -4.200 1.00 3.10 H new ATOM 582 N ASP A 37 11.986 9.769 -1.331 1.00 32.22 N ATOM 583 CA ASP A 37 12.529 10.762 -0.401 1.00 62.24 C ATOM 584 C ASP A 37 12.552 10.311 1.057 1.00 42.41 C ATOM 585 O ASP A 37 13.424 10.734 1.810 1.00 24.03 O ATOM 586 CB ASP A 37 11.731 12.066 -0.505 1.00 14.21 C ATOM 587 CG ASP A 37 11.797 12.655 -1.904 1.00 71.01 C ATOM 588 OD1 ASP A 37 12.777 13.380 -2.197 1.00 41.13 O ATOM 589 OD2 ASP A 37 10.899 12.322 -2.710 1.00 24.30 O ATOM 0 H ASP A 37 11.249 10.159 -1.918 1.00 32.22 H new ATOM 0 HA ASP A 37 13.567 10.907 -0.700 1.00 62.24 H new ATOM 0 HB2 ASP A 37 10.691 11.879 -0.238 1.00 14.21 H new ATOM 0 HB3 ASP A 37 12.119 12.789 0.213 1.00 14.21 H new ATOM 594 N LYS A 38 11.621 9.456 1.480 1.00 11.42 N ATOM 595 CA LYS A 38 11.525 8.923 2.840 1.00 41.22 C ATOM 596 C LYS A 38 11.335 7.408 2.833 1.00 54.15 C ATOM 597 O LYS A 38 11.008 6.835 3.874 1.00 13.23 O ATOM 598 CB LYS A 38 10.408 9.664 3.596 1.00 22.14 C ATOM 599 CG LYS A 38 10.987 10.769 4.479 1.00 53.32 C ATOM 600 CD LYS A 38 11.437 10.221 5.838 1.00 3.02 C ATOM 601 CE LYS A 38 12.057 11.321 6.697 1.00 5.11 C ATOM 602 NZ LYS A 38 12.221 10.872 8.093 1.00 52.44 N ATOM 0 H LYS A 38 10.888 9.103 0.865 1.00 11.42 H new ATOM 0 HA LYS A 38 12.462 9.098 3.368 1.00 41.22 H new ATOM 0 HB2 LYS A 38 9.704 10.094 2.883 1.00 22.14 H new ATOM 0 HB3 LYS A 38 9.849 8.958 4.210 1.00 22.14 H new ATOM 0 HG2 LYS A 38 11.834 11.234 3.974 1.00 53.32 H new ATOM 0 HG3 LYS A 38 10.238 11.547 4.629 1.00 53.32 H new ATOM 0 HD2 LYS A 38 10.584 9.786 6.359 1.00 3.02 H new ATOM 0 HD3 LYS A 38 12.161 9.420 5.689 1.00 3.02 H new ATOM 0 HE2 LYS A 38 13.026 11.605 6.286 1.00 5.11 H new ATOM 0 HE3 LYS A 38 11.426 12.209 6.669 1.00 5.11 H new ATOM 0 HZ1 LYS A 38 12.644 11.637 8.656 1.00 52.44 H new ATOM 0 HZ2 LYS A 38 11.292 10.623 8.489 1.00 52.44 H new ATOM 0 HZ3 LYS A 38 12.843 10.039 8.119 1.00 52.44 H new ATOM 616 N GLY A 39 11.526 6.762 1.677 1.00 13.22 N ATOM 617 CA GLY A 39 11.364 5.328 1.527 1.00 25.11 C ATOM 618 C GLY A 39 9.962 4.933 1.954 1.00 14.12 C ATOM 619 O GLY A 39 9.804 4.046 2.788 1.00 15.15 O ATOM 0 H GLY A 39 11.800 7.234 0.815 1.00 13.22 H new ATOM 0 HA2 GLY A 39 11.536 5.038 0.491 1.00 25.11 H new ATOM 0 HA3 GLY A 39 12.102 4.802 2.132 1.00 25.11 H new ATOM 623 N ILE A 40 8.943 5.587 1.400 1.00 21.11 N ATOM 624 CA ILE A 40 7.544 5.345 1.705 1.00 62.13 C ATOM 625 C ILE A 40 6.701 5.404 0.437 1.00 22.44 C ATOM 626 O ILE A 40 7.177 5.833 -0.612 1.00 65.11 O ATOM 627 CB ILE A 40 7.026 6.410 2.699 1.00 23.24 C ATOM 628 CG1 ILE A 40 7.539 7.808 2.338 1.00 14.25 C ATOM 629 CG2 ILE A 40 7.395 6.106 4.156 1.00 13.03 C ATOM 630 CD1 ILE A 40 6.601 8.922 2.794 1.00 44.14 C ATOM 0 H ILE A 40 9.078 6.322 0.706 1.00 21.11 H new ATOM 0 HA ILE A 40 7.461 4.353 2.148 1.00 62.13 H new ATOM 0 HB ILE A 40 5.940 6.380 2.613 1.00 23.24 H new ATOM 0 HG12 ILE A 40 8.519 7.958 2.791 1.00 14.25 H new ATOM 0 HG13 ILE A 40 7.673 7.872 1.258 1.00 14.25 H new ATOM 0 HG21 ILE A 40 7.002 6.891 4.802 1.00 13.03 H new ATOM 0 HG22 ILE A 40 6.966 5.147 4.448 1.00 13.03 H new ATOM 0 HG23 ILE A 40 8.480 6.063 4.255 1.00 13.03 H new ATOM 0 HD11 ILE A 40 7.018 9.888 2.510 1.00 44.14 H new ATOM 0 HD12 ILE A 40 5.627 8.794 2.321 1.00 44.14 H new ATOM 0 HD13 ILE A 40 6.487 8.881 3.877 1.00 44.14 H new ATOM 642 N ALA A 41 5.451 4.963 0.529 1.00 62.21 N ATOM 643 CA ALA A 41 4.491 4.976 -0.556 1.00 21.25 C ATOM 644 C ALA A 41 3.113 5.227 0.038 1.00 2.20 C ATOM 645 O ALA A 41 2.869 4.887 1.199 1.00 2.05 O ATOM 646 CB ALA A 41 4.506 3.654 -1.323 1.00 12.51 C ATOM 0 H ALA A 41 5.071 4.575 1.392 1.00 62.21 H new ATOM 0 HA ALA A 41 4.750 5.763 -1.264 1.00 21.25 H new ATOM 0 HB1 ALA A 41 3.775 3.694 -2.131 1.00 12.51 H new ATOM 0 HB2 ALA A 41 5.499 3.486 -1.740 1.00 12.51 H new ATOM 0 HB3 ALA A 41 4.254 2.838 -0.646 1.00 12.51 H new ATOM 652 N PHE A 42 2.218 5.787 -0.773 1.00 12.11 N ATOM 653 CA PHE A 42 0.855 6.090 -0.383 1.00 4.13 C ATOM 654 C PHE A 42 -0.036 5.391 -1.390 1.00 12.35 C ATOM 655 O PHE A 42 0.078 5.633 -2.600 1.00 44.43 O ATOM 656 CB PHE A 42 0.605 7.597 -0.412 1.00 5.34 C ATOM 657 CG PHE A 42 1.484 8.428 0.497 1.00 15.33 C ATOM 658 CD1 PHE A 42 2.748 8.845 0.046 1.00 62.20 C ATOM 659 CD2 PHE A 42 1.033 8.814 1.771 1.00 13.35 C ATOM 660 CE1 PHE A 42 3.552 9.667 0.854 1.00 35.40 C ATOM 661 CE2 PHE A 42 1.850 9.617 2.584 1.00 32.33 C ATOM 662 CZ PHE A 42 3.103 10.053 2.126 1.00 32.34 C ATOM 0 H PHE A 42 2.430 6.045 -1.737 1.00 12.11 H new ATOM 0 HA PHE A 42 0.654 5.753 0.634 1.00 4.13 H new ATOM 0 HB2 PHE A 42 0.738 7.949 -1.435 1.00 5.34 H new ATOM 0 HB3 PHE A 42 -0.436 7.779 -0.145 1.00 5.34 H new ATOM 0 HD1 PHE A 42 3.103 8.533 -0.925 1.00 62.20 H new ATOM 0 HD2 PHE A 42 0.063 8.495 2.123 1.00 13.35 H new ATOM 0 HE1 PHE A 42 4.515 10.001 0.496 1.00 35.40 H new ATOM 0 HE2 PHE A 42 1.511 9.901 3.569 1.00 32.33 H new ATOM 0 HZ PHE A 42 3.719 10.683 2.750 1.00 32.34 H new ATOM 672 N LEU A 43 -0.922 4.541 -0.886 1.00 51.22 N ATOM 673 CA LEU A 43 -1.856 3.774 -1.688 1.00 25.42 C ATOM 674 C LEU A 43 -3.249 4.210 -1.278 1.00 75.20 C ATOM 675 O LEU A 43 -3.611 4.080 -0.110 1.00 42.53 O ATOM 676 CB LEU A 43 -1.653 2.272 -1.474 1.00 24.31 C ATOM 677 CG LEU A 43 -0.244 1.783 -1.863 1.00 41.04 C ATOM 678 CD1 LEU A 43 0.642 1.617 -0.621 1.00 72.32 C ATOM 679 CD2 LEU A 43 -0.334 0.459 -2.619 1.00 55.05 C ATOM 0 H LEU A 43 -1.010 4.365 0.115 1.00 51.22 H new ATOM 0 HA LEU A 43 -1.699 3.956 -2.751 1.00 25.42 H new ATOM 0 HB2 LEU A 43 -1.836 2.034 -0.426 1.00 24.31 H new ATOM 0 HB3 LEU A 43 -2.393 1.726 -2.059 1.00 24.31 H new ATOM 0 HG LEU A 43 0.208 2.534 -2.510 1.00 41.04 H new ATOM 0 HD11 LEU A 43 1.631 1.271 -0.923 1.00 72.32 H new ATOM 0 HD12 LEU A 43 0.733 2.575 -0.109 1.00 72.32 H new ATOM 0 HD13 LEU A 43 0.192 0.887 0.052 1.00 72.32 H new ATOM 0 HD21 LEU A 43 0.668 0.125 -2.888 1.00 55.05 H new ATOM 0 HD22 LEU A 43 -0.809 -0.290 -1.985 1.00 55.05 H new ATOM 0 HD23 LEU A 43 -0.926 0.596 -3.524 1.00 55.05 H new ATOM 691 N GLU A 44 -3.973 4.849 -2.188 1.00 50.33 N ATOM 692 CA GLU A 44 -5.332 5.322 -1.947 1.00 61.22 C ATOM 693 C GLU A 44 -6.284 4.147 -2.233 1.00 33.22 C ATOM 694 O GLU A 44 -5.958 3.299 -3.066 1.00 22.31 O ATOM 695 CB GLU A 44 -5.624 6.495 -2.900 1.00 14.13 C ATOM 696 CG GLU A 44 -4.633 7.664 -2.742 1.00 11.43 C ATOM 697 CD GLU A 44 -4.933 8.859 -3.657 1.00 13.35 C ATOM 698 OE1 GLU A 44 -5.138 8.663 -4.876 1.00 54.40 O ATOM 699 OE2 GLU A 44 -4.932 10.010 -3.161 1.00 4.44 O ATOM 0 H GLU A 44 -3.630 5.056 -3.126 1.00 50.33 H new ATOM 0 HA GLU A 44 -5.462 5.666 -0.921 1.00 61.22 H new ATOM 0 HB2 GLU A 44 -5.592 6.136 -3.929 1.00 14.13 H new ATOM 0 HB3 GLU A 44 -6.636 6.858 -2.720 1.00 14.13 H new ATOM 0 HG2 GLU A 44 -4.645 8.000 -1.705 1.00 11.43 H new ATOM 0 HG3 GLU A 44 -3.625 7.304 -2.949 1.00 11.43 H new ATOM 706 N PHE A 45 -7.463 4.091 -1.608 1.00 74.24 N ATOM 707 CA PHE A 45 -8.459 3.038 -1.812 1.00 70.40 C ATOM 708 C PHE A 45 -9.849 3.670 -1.802 1.00 15.22 C ATOM 709 O PHE A 45 -10.158 4.468 -0.913 1.00 42.51 O ATOM 710 CB PHE A 45 -8.423 1.970 -0.711 1.00 11.43 C ATOM 711 CG PHE A 45 -7.223 1.054 -0.651 1.00 12.43 C ATOM 712 CD1 PHE A 45 -5.990 1.542 -0.186 1.00 62.41 C ATOM 713 CD2 PHE A 45 -7.359 -0.311 -0.979 1.00 35.31 C ATOM 714 CE1 PHE A 45 -4.915 0.659 -0.018 1.00 12.01 C ATOM 715 CE2 PHE A 45 -6.282 -1.192 -0.792 1.00 22.35 C ATOM 716 CZ PHE A 45 -5.081 -0.711 -0.258 1.00 14.43 C ATOM 0 H PHE A 45 -7.758 4.794 -0.930 1.00 74.24 H new ATOM 0 HA PHE A 45 -8.232 2.556 -2.763 1.00 70.40 H new ATOM 0 HB2 PHE A 45 -8.504 2.478 0.250 1.00 11.43 H new ATOM 0 HB3 PHE A 45 -9.312 1.349 -0.819 1.00 11.43 H new ATOM 0 HD1 PHE A 45 -5.872 2.591 0.041 1.00 62.41 H new ATOM 0 HD2 PHE A 45 -8.294 -0.679 -1.375 1.00 35.31 H new ATOM 0 HE1 PHE A 45 -3.954 1.037 0.298 1.00 12.01 H new ATOM 0 HE2 PHE A 45 -6.380 -2.234 -1.058 1.00 22.35 H new ATOM 0 HZ PHE A 45 -4.280 -1.398 -0.030 1.00 14.43 H new ATOM 726 N ASP A 46 -10.703 3.248 -2.733 1.00 32.41 N ATOM 727 CA ASP A 46 -12.066 3.735 -2.912 1.00 74.44 C ATOM 728 C ASP A 46 -13.107 2.823 -2.260 1.00 71.33 C ATOM 729 O ASP A 46 -13.363 1.712 -2.735 1.00 43.22 O ATOM 730 CB ASP A 46 -12.351 3.843 -4.413 1.00 14.52 C ATOM 731 CG ASP A 46 -11.888 5.155 -5.035 1.00 61.21 C ATOM 732 OD1 ASP A 46 -11.014 5.858 -4.477 1.00 75.23 O ATOM 733 OD2 ASP A 46 -12.451 5.524 -6.083 1.00 63.33 O ATOM 0 H ASP A 46 -10.452 2.528 -3.410 1.00 32.41 H new ATOM 0 HA ASP A 46 -12.143 4.707 -2.425 1.00 74.44 H new ATOM 0 HB2 ASP A 46 -11.861 3.016 -4.927 1.00 14.52 H new ATOM 0 HB3 ASP A 46 -13.423 3.732 -4.579 1.00 14.52 H new ATOM 738 N ALA A 47 -13.712 3.280 -1.159 1.00 44.21 N ATOM 739 CA ALA A 47 -14.735 2.532 -0.432 1.00 24.45 C ATOM 740 C ALA A 47 -16.094 2.582 -1.119 1.00 61.55 C ATOM 741 O ALA A 47 -16.943 1.724 -0.862 1.00 22.13 O ATOM 742 CB ALA A 47 -14.898 3.079 0.992 1.00 64.22 C ATOM 0 H ALA A 47 -13.501 4.188 -0.746 1.00 44.21 H new ATOM 0 HA ALA A 47 -14.393 1.497 -0.409 1.00 24.45 H new ATOM 0 HB1 ALA A 47 -15.665 2.508 1.516 1.00 64.22 H new ATOM 0 HB2 ALA A 47 -13.952 2.991 1.526 1.00 64.22 H new ATOM 0 HB3 ALA A 47 -15.194 4.127 0.947 1.00 64.22 H new ATOM 748 N ASP A 48 -16.322 3.598 -1.953 1.00 51.13 N ATOM 749 CA ASP A 48 -17.587 3.754 -2.657 1.00 40.22 C ATOM 750 C ASP A 48 -17.675 2.857 -3.879 1.00 3.44 C ATOM 751 O ASP A 48 -18.744 2.316 -4.163 1.00 22.15 O ATOM 752 CB ASP A 48 -17.816 5.205 -3.068 1.00 72.22 C ATOM 753 CG ASP A 48 -19.308 5.457 -3.250 1.00 4.23 C ATOM 754 OD1 ASP A 48 -19.977 5.543 -2.196 1.00 74.33 O ATOM 755 OD2 ASP A 48 -19.803 5.554 -4.397 1.00 55.15 O ATOM 0 H ASP A 48 -15.639 4.328 -2.155 1.00 51.13 H new ATOM 0 HA ASP A 48 -18.368 3.454 -1.958 1.00 40.22 H new ATOM 0 HB2 ASP A 48 -17.414 5.876 -2.309 1.00 72.22 H new ATOM 0 HB3 ASP A 48 -17.285 5.419 -3.996 1.00 72.22 H new ATOM 760 N LYS A 49 -16.555 2.681 -4.584 1.00 43.54 N ATOM 761 CA LYS A 49 -16.441 1.878 -5.773 1.00 2.11 C ATOM 762 C LYS A 49 -16.593 0.404 -5.451 1.00 65.40 C ATOM 763 O LYS A 49 -17.482 -0.238 -6.007 1.00 43.14 O ATOM 764 CB LYS A 49 -15.081 2.205 -6.406 1.00 73.01 C ATOM 765 CG LYS A 49 -14.705 1.247 -7.531 1.00 14.13 C ATOM 766 CD LYS A 49 -13.521 1.796 -8.328 1.00 64.34 C ATOM 767 CE LYS A 49 -13.223 0.889 -9.525 1.00 40.04 C ATOM 768 NZ LYS A 49 -12.182 1.473 -10.388 1.00 1.33 N ATOM 0 H LYS A 49 -15.673 3.119 -4.319 1.00 43.54 H new ATOM 0 HA LYS A 49 -17.239 2.105 -6.480 1.00 2.11 H new ATOM 0 HB2 LYS A 49 -15.102 3.223 -6.794 1.00 73.01 H new ATOM 0 HB3 LYS A 49 -14.310 2.173 -5.636 1.00 73.01 H new ATOM 0 HG2 LYS A 49 -14.451 0.272 -7.116 1.00 14.13 H new ATOM 0 HG3 LYS A 49 -15.559 1.100 -8.192 1.00 14.13 H new ATOM 0 HD2 LYS A 49 -13.743 2.806 -8.674 1.00 64.34 H new ATOM 0 HD3 LYS A 49 -12.642 1.865 -7.687 1.00 64.34 H new ATOM 0 HE2 LYS A 49 -12.899 -0.090 -9.171 1.00 40.04 H new ATOM 0 HE3 LYS A 49 -14.134 0.734 -10.103 1.00 40.04 H new ATOM 0 HZ1 LYS A 49 -12.000 0.838 -11.191 1.00 1.33 H new ATOM 0 HZ2 LYS A 49 -12.503 2.396 -10.743 1.00 1.33 H new ATOM 0 HZ3 LYS A 49 -11.307 1.598 -9.840 1.00 1.33 H new ATOM 782 N ASP A 50 -15.782 -0.127 -4.535 1.00 43.54 N ATOM 783 CA ASP A 50 -15.813 -1.544 -4.182 1.00 11.15 C ATOM 784 C ASP A 50 -16.407 -1.729 -2.790 1.00 54.23 C ATOM 785 O ASP A 50 -15.717 -2.060 -1.824 1.00 52.23 O ATOM 786 CB ASP A 50 -14.428 -2.179 -4.411 1.00 31.41 C ATOM 787 CG ASP A 50 -14.577 -3.430 -5.268 1.00 60.41 C ATOM 788 OD1 ASP A 50 -14.528 -3.302 -6.513 1.00 1.15 O ATOM 789 OD2 ASP A 50 -14.753 -4.530 -4.697 1.00 20.30 O ATOM 0 H ASP A 50 -15.087 0.413 -4.019 1.00 43.54 H new ATOM 0 HA ASP A 50 -16.483 -2.095 -4.842 1.00 11.15 H new ATOM 0 HB2 ASP A 50 -13.766 -1.466 -4.902 1.00 31.41 H new ATOM 0 HB3 ASP A 50 -13.970 -2.433 -3.455 1.00 31.41 H new ATOM 794 N ARG A 51 -17.726 -1.520 -2.690 1.00 22.14 N ATOM 795 CA ARG A 51 -18.496 -1.626 -1.446 1.00 12.42 C ATOM 796 C ARG A 51 -18.210 -2.917 -0.684 1.00 13.41 C ATOM 797 O ARG A 51 -18.126 -2.865 0.539 1.00 30.20 O ATOM 798 CB ARG A 51 -20.010 -1.536 -1.738 1.00 64.23 C ATOM 799 CG ARG A 51 -20.506 -0.130 -2.115 1.00 33.33 C ATOM 800 CD ARG A 51 -20.807 0.733 -0.884 1.00 35.04 C ATOM 801 NE ARG A 51 -21.100 2.128 -1.265 1.00 11.14 N ATOM 802 CZ ARG A 51 -21.985 2.957 -0.691 1.00 44.04 C ATOM 803 NH1 ARG A 51 -22.832 2.566 0.255 1.00 45.21 N ATOM 804 NH2 ARG A 51 -22.026 4.227 -1.054 1.00 70.31 N ATOM 0 H ARG A 51 -18.301 -1.266 -3.493 1.00 22.14 H new ATOM 0 HA ARG A 51 -18.183 -0.791 -0.819 1.00 12.42 H new ATOM 0 HB2 ARG A 51 -20.252 -2.222 -2.550 1.00 64.23 H new ATOM 0 HB3 ARG A 51 -20.557 -1.877 -0.859 1.00 64.23 H new ATOM 0 HG2 ARG A 51 -19.753 0.366 -2.728 1.00 33.33 H new ATOM 0 HG3 ARG A 51 -21.406 -0.216 -2.724 1.00 33.33 H new ATOM 0 HD2 ARG A 51 -21.657 0.315 -0.344 1.00 35.04 H new ATOM 0 HD3 ARG A 51 -19.955 0.711 -0.205 1.00 35.04 H new ATOM 0 HE ARG A 51 -20.571 2.504 -2.052 1.00 11.14 H new ATOM 0 HH11 ARG A 51 -22.827 1.598 0.575 1.00 45.21 H new ATOM 0 HH12 ARG A 51 -23.487 3.234 0.661 1.00 45.21 H new ATOM 0 HH21 ARG A 51 -21.386 4.574 -1.768 1.00 70.31 H new ATOM 0 HH22 ARG A 51 -22.698 4.860 -0.620 1.00 70.31 H new ATOM 818 N THR A 52 -18.034 -4.046 -1.367 1.00 74.01 N ATOM 819 CA THR A 52 -17.776 -5.336 -0.735 1.00 61.13 C ATOM 820 C THR A 52 -16.318 -5.799 -0.848 1.00 22.22 C ATOM 821 O THR A 52 -16.006 -6.930 -0.455 1.00 65.14 O ATOM 822 CB THR A 52 -18.779 -6.358 -1.293 1.00 70.30 C ATOM 823 OG1 THR A 52 -18.898 -6.317 -2.705 1.00 74.44 O ATOM 824 CG2 THR A 52 -20.184 -6.072 -0.767 1.00 42.52 C ATOM 0 H THR A 52 -18.067 -4.090 -2.385 1.00 74.01 H new ATOM 0 HA THR A 52 -17.926 -5.233 0.340 1.00 61.13 H new ATOM 0 HB THR A 52 -18.393 -7.327 -0.976 1.00 70.30 H new ATOM 0 HG1 THR A 52 -19.548 -6.990 -2.998 1.00 74.44 H new ATOM 0 HG21 THR A 52 -20.881 -6.806 -1.173 1.00 42.52 H new ATOM 0 HG22 THR A 52 -20.185 -6.134 0.321 1.00 42.52 H new ATOM 0 HG23 THR A 52 -20.491 -5.072 -1.074 1.00 42.52 H new ATOM 832 N GLY A 53 -15.409 -4.954 -1.341 1.00 2.25 N ATOM 833 CA GLY A 53 -14.006 -5.307 -1.493 1.00 61.25 C ATOM 834 C GLY A 53 -13.062 -4.385 -0.741 1.00 14.21 C ATOM 835 O GLY A 53 -11.973 -4.826 -0.408 1.00 5.44 O ATOM 0 H GLY A 53 -15.631 -4.006 -1.645 1.00 2.25 H new ATOM 0 HA2 GLY A 53 -13.857 -6.329 -1.144 1.00 61.25 H new ATOM 0 HA3 GLY A 53 -13.749 -5.291 -2.552 1.00 61.25 H new ATOM 839 N ILE A 54 -13.444 -3.147 -0.422 1.00 40.43 N ATOM 840 CA ILE A 54 -12.600 -2.181 0.276 1.00 25.35 C ATOM 841 C ILE A 54 -11.943 -2.755 1.534 1.00 50.14 C ATOM 842 O ILE A 54 -10.739 -2.602 1.732 1.00 62.33 O ATOM 843 CB ILE A 54 -13.417 -0.901 0.573 1.00 2.30 C ATOM 844 CG1 ILE A 54 -12.579 0.162 1.321 1.00 73.20 C ATOM 845 CG2 ILE A 54 -14.723 -1.143 1.367 1.00 2.23 C ATOM 846 CD1 ILE A 54 -11.379 0.649 0.510 1.00 32.11 C ATOM 0 H ILE A 54 -14.369 -2.782 -0.648 1.00 40.43 H new ATOM 0 HA ILE A 54 -11.769 -1.924 -0.381 1.00 25.35 H new ATOM 0 HB ILE A 54 -13.695 -0.537 -0.416 1.00 2.30 H new ATOM 0 HG12 ILE A 54 -13.215 1.013 1.566 1.00 73.20 H new ATOM 0 HG13 ILE A 54 -12.228 -0.256 2.264 1.00 73.20 H new ATOM 0 HG21 ILE A 54 -15.231 -0.193 1.530 1.00 2.23 H new ATOM 0 HG22 ILE A 54 -15.374 -1.810 0.802 1.00 2.23 H new ATOM 0 HG23 ILE A 54 -14.485 -1.597 2.329 1.00 2.23 H new ATOM 0 HD11 ILE A 54 -10.829 1.393 1.086 1.00 32.11 H new ATOM 0 HD12 ILE A 54 -10.725 -0.194 0.287 1.00 32.11 H new ATOM 0 HD13 ILE A 54 -11.727 1.095 -0.422 1.00 32.11 H new ATOM 858 N GLN A 55 -12.742 -3.391 2.386 1.00 75.45 N ATOM 859 CA GLN A 55 -12.285 -3.981 3.626 1.00 14.24 C ATOM 860 C GLN A 55 -11.310 -5.108 3.305 1.00 33.52 C ATOM 861 O GLN A 55 -10.186 -5.069 3.788 1.00 55.40 O ATOM 862 CB GLN A 55 -13.517 -4.373 4.450 1.00 22.23 C ATOM 863 CG GLN A 55 -13.334 -5.433 5.540 1.00 51.52 C ATOM 864 CD GLN A 55 -12.339 -5.059 6.632 1.00 43.15 C ATOM 865 OE1 GLN A 55 -12.707 -4.469 7.646 1.00 35.34 O ATOM 866 NE2 GLN A 55 -11.080 -5.417 6.475 1.00 53.03 N ATOM 0 H GLN A 55 -13.742 -3.509 2.225 1.00 75.45 H new ATOM 0 HA GLN A 55 -11.720 -3.289 4.250 1.00 14.24 H new ATOM 0 HB2 GLN A 55 -13.907 -3.471 4.921 1.00 22.23 H new ATOM 0 HB3 GLN A 55 -14.283 -4.729 3.761 1.00 22.23 H new ATOM 0 HG2 GLN A 55 -14.302 -5.631 6.001 1.00 51.52 H new ATOM 0 HG3 GLN A 55 -13.008 -6.362 5.073 1.00 51.52 H new ATOM 0 HE21 GLN A 55 -10.791 -5.906 5.628 1.00 53.03 H new ATOM 0 HE22 GLN A 55 -10.395 -5.205 7.201 1.00 53.03 H new ATOM 875 N ARG A 56 -11.700 -6.095 2.494 1.00 32.41 N ATOM 876 CA ARG A 56 -10.836 -7.217 2.100 1.00 1.43 C ATOM 877 C ARG A 56 -9.495 -6.678 1.615 1.00 43.23 C ATOM 878 O ARG A 56 -8.443 -7.074 2.108 1.00 55.25 O ATOM 879 CB ARG A 56 -11.500 -8.025 0.973 1.00 13.41 C ATOM 880 CG ARG A 56 -12.659 -8.920 1.422 1.00 52.14 C ATOM 881 CD ARG A 56 -12.164 -10.270 1.941 1.00 1.24 C ATOM 882 NE ARG A 56 -13.260 -11.246 1.963 1.00 42.54 N ATOM 883 CZ ARG A 56 -13.121 -12.575 1.981 1.00 4.13 C ATOM 884 NH1 ARG A 56 -11.917 -13.136 2.037 1.00 43.23 N ATOM 885 NH2 ARG A 56 -14.202 -13.344 1.936 1.00 43.02 N ATOM 0 H ARG A 56 -12.634 -6.140 2.087 1.00 32.41 H new ATOM 0 HA ARG A 56 -10.682 -7.867 2.961 1.00 1.43 H new ATOM 0 HB2 ARG A 56 -11.867 -7.332 0.216 1.00 13.41 H new ATOM 0 HB3 ARG A 56 -10.743 -8.647 0.496 1.00 13.41 H new ATOM 0 HG2 ARG A 56 -13.226 -8.415 2.204 1.00 52.14 H new ATOM 0 HG3 ARG A 56 -13.340 -9.079 0.586 1.00 52.14 H new ATOM 0 HD2 ARG A 56 -11.356 -10.636 1.307 1.00 1.24 H new ATOM 0 HD3 ARG A 56 -11.754 -10.152 2.944 1.00 1.24 H new ATOM 0 HE ARG A 56 -14.211 -10.878 1.965 1.00 42.54 H new ATOM 0 HH11 ARG A 56 -11.082 -12.550 2.067 1.00 43.23 H new ATOM 0 HH12 ARG A 56 -11.828 -14.152 2.050 1.00 43.23 H new ATOM 0 HH21 ARG A 56 -15.128 -12.919 1.888 1.00 43.02 H new ATOM 0 HH22 ARG A 56 -14.106 -14.359 1.949 1.00 43.02 H new ATOM 899 N ARG A 57 -9.542 -5.753 0.660 1.00 34.41 N ATOM 900 CA ARG A 57 -8.402 -5.095 0.049 1.00 73.44 C ATOM 901 C ARG A 57 -7.486 -4.515 1.123 1.00 62.24 C ATOM 902 O ARG A 57 -6.299 -4.840 1.123 1.00 22.51 O ATOM 903 CB ARG A 57 -8.939 -4.040 -0.927 1.00 33.42 C ATOM 904 CG ARG A 57 -9.502 -4.672 -2.211 1.00 42.03 C ATOM 905 CD ARG A 57 -10.173 -3.599 -3.071 1.00 14.21 C ATOM 906 NE ARG A 57 -10.617 -4.160 -4.354 1.00 23.42 N ATOM 907 CZ ARG A 57 -10.923 -3.489 -5.469 1.00 74.31 C ATOM 908 NH1 ARG A 57 -10.803 -2.166 -5.562 1.00 74.21 N ATOM 909 NH2 ARG A 57 -11.345 -4.170 -6.522 1.00 22.51 N ATOM 0 H ARG A 57 -10.428 -5.428 0.274 1.00 34.41 H new ATOM 0 HA ARG A 57 -7.788 -5.800 -0.512 1.00 73.44 H new ATOM 0 HB2 ARG A 57 -9.720 -3.458 -0.437 1.00 33.42 H new ATOM 0 HB3 ARG A 57 -8.139 -3.346 -1.186 1.00 33.42 H new ATOM 0 HG2 ARG A 57 -8.700 -5.151 -2.773 1.00 42.03 H new ATOM 0 HG3 ARG A 57 -10.222 -5.450 -1.958 1.00 42.03 H new ATOM 0 HD2 ARG A 57 -11.026 -3.180 -2.537 1.00 14.21 H new ATOM 0 HD3 ARG A 57 -9.475 -2.781 -3.249 1.00 14.21 H new ATOM 0 HE ARG A 57 -10.701 -5.176 -4.399 1.00 23.42 H new ATOM 0 HH11 ARG A 57 -10.467 -1.627 -4.764 1.00 74.21 H new ATOM 0 HH12 ARG A 57 -11.047 -1.692 -6.431 1.00 74.21 H new ATOM 0 HH21 ARG A 57 -11.431 -5.185 -6.472 1.00 22.51 H new ATOM 0 HH22 ARG A 57 -11.584 -3.680 -7.384 1.00 22.51 H new ATOM 923 N MET A 58 -8.001 -3.679 2.028 1.00 54.45 N ATOM 924 CA MET A 58 -7.182 -3.100 3.090 1.00 23.51 C ATOM 925 C MET A 58 -6.699 -4.178 4.069 1.00 1.33 C ATOM 926 O MET A 58 -5.616 -4.055 4.620 1.00 43.11 O ATOM 927 CB MET A 58 -7.919 -1.956 3.803 1.00 51.45 C ATOM 928 CG MET A 58 -7.868 -0.681 2.943 1.00 72.34 C ATOM 929 SD MET A 58 -8.140 0.887 3.815 1.00 61.12 S ATOM 930 CE MET A 58 -9.786 0.619 4.512 1.00 54.14 C ATOM 0 H MET A 58 -8.979 -3.390 2.045 1.00 54.45 H new ATOM 0 HA MET A 58 -6.294 -2.666 2.631 1.00 23.51 H new ATOM 0 HB2 MET A 58 -8.955 -2.239 3.987 1.00 51.45 H new ATOM 0 HB3 MET A 58 -7.462 -1.768 4.775 1.00 51.45 H new ATOM 0 HG2 MET A 58 -6.895 -0.636 2.454 1.00 72.34 H new ATOM 0 HG3 MET A 58 -8.616 -0.769 2.156 1.00 72.34 H new ATOM 0 HE1 MET A 58 -10.024 1.426 5.205 1.00 54.14 H new ATOM 0 HE2 MET A 58 -10.523 0.601 3.709 1.00 54.14 H new ATOM 0 HE3 MET A 58 -9.806 -0.332 5.043 1.00 54.14 H new ATOM 940 N ASP A 59 -7.423 -5.279 4.259 1.00 3.45 N ATOM 941 CA ASP A 59 -7.024 -6.362 5.162 1.00 73.31 C ATOM 942 C ASP A 59 -5.757 -7.019 4.648 1.00 41.23 C ATOM 943 O ASP A 59 -4.798 -7.233 5.390 1.00 50.22 O ATOM 944 CB ASP A 59 -8.108 -7.437 5.208 1.00 63.44 C ATOM 945 CG ASP A 59 -8.167 -8.190 6.533 1.00 24.13 C ATOM 946 OD1 ASP A 59 -7.946 -7.584 7.613 1.00 72.31 O ATOM 947 OD2 ASP A 59 -8.487 -9.400 6.480 1.00 23.23 O ATOM 0 H ASP A 59 -8.311 -5.448 3.787 1.00 3.45 H new ATOM 0 HA ASP A 59 -6.867 -5.936 6.153 1.00 73.31 H new ATOM 0 HB2 ASP A 59 -9.076 -6.973 5.020 1.00 63.44 H new ATOM 0 HB3 ASP A 59 -7.935 -8.150 4.402 1.00 63.44 H new ATOM 952 N ILE A 60 -5.779 -7.319 3.350 1.00 22.21 N ATOM 953 CA ILE A 60 -4.709 -7.939 2.595 1.00 60.00 C ATOM 954 C ILE A 60 -3.527 -6.971 2.566 1.00 14.23 C ATOM 955 O ILE A 60 -2.384 -7.427 2.538 1.00 11.42 O ATOM 956 CB ILE A 60 -5.264 -8.329 1.207 1.00 20.51 C ATOM 957 CG1 ILE A 60 -6.309 -9.462 1.365 1.00 72.21 C ATOM 958 CG2 ILE A 60 -4.162 -8.789 0.237 1.00 71.44 C ATOM 959 CD1 ILE A 60 -7.376 -9.466 0.267 1.00 14.32 C ATOM 0 H ILE A 60 -6.595 -7.121 2.771 1.00 22.21 H new ATOM 0 HA ILE A 60 -4.340 -8.860 3.046 1.00 60.00 H new ATOM 0 HB ILE A 60 -5.724 -7.437 0.783 1.00 20.51 H new ATOM 0 HG12 ILE A 60 -5.794 -10.423 1.364 1.00 72.21 H new ATOM 0 HG13 ILE A 60 -6.797 -9.363 2.335 1.00 72.21 H new ATOM 0 HG21 ILE A 60 -4.608 -9.051 -0.723 1.00 71.44 H new ATOM 0 HG22 ILE A 60 -3.443 -7.983 0.095 1.00 71.44 H new ATOM 0 HG23 ILE A 60 -3.654 -9.660 0.651 1.00 71.44 H new ATOM 0 HD11 ILE A 60 -8.074 -10.285 0.441 1.00 14.32 H new ATOM 0 HD12 ILE A 60 -7.917 -8.520 0.281 1.00 14.32 H new ATOM 0 HD13 ILE A 60 -6.898 -9.596 -0.704 1.00 14.32 H new ATOM 971 N ALA A 61 -3.779 -5.657 2.578 1.00 14.20 N ATOM 972 CA ALA A 61 -2.740 -4.645 2.594 1.00 65.13 C ATOM 973 C ALA A 61 -2.138 -4.582 4.002 1.00 63.21 C ATOM 974 O ALA A 61 -0.916 -4.500 4.125 1.00 33.33 O ATOM 975 CB ALA A 61 -3.306 -3.281 2.190 1.00 34.22 C ATOM 0 H ALA A 61 -4.723 -5.272 2.577 1.00 14.20 H new ATOM 0 HA ALA A 61 -1.965 -4.907 1.874 1.00 65.13 H new ATOM 0 HB1 ALA A 61 -2.510 -2.537 2.209 1.00 34.22 H new ATOM 0 HB2 ALA A 61 -3.721 -3.343 1.184 1.00 34.22 H new ATOM 0 HB3 ALA A 61 -4.090 -2.991 2.889 1.00 34.22 H new ATOM 981 N LEU A 62 -2.962 -4.662 5.058 1.00 62.54 N ATOM 982 CA LEU A 62 -2.502 -4.608 6.448 1.00 14.33 C ATOM 983 C LEU A 62 -1.546 -5.760 6.734 1.00 73.23 C ATOM 984 O LEU A 62 -0.548 -5.578 7.433 1.00 72.43 O ATOM 985 CB LEU A 62 -3.700 -4.653 7.411 1.00 14.54 C ATOM 986 CG LEU A 62 -4.317 -3.267 7.678 1.00 72.55 C ATOM 987 CD1 LEU A 62 -5.789 -3.405 8.090 1.00 5.30 C ATOM 988 CD2 LEU A 62 -3.543 -2.523 8.772 1.00 4.13 C ATOM 0 H LEU A 62 -3.973 -4.767 4.967 1.00 62.54 H new ATOM 0 HA LEU A 62 -1.970 -3.669 6.602 1.00 14.33 H new ATOM 0 HB2 LEU A 62 -4.465 -5.311 6.998 1.00 14.54 H new ATOM 0 HB3 LEU A 62 -3.381 -5.090 8.357 1.00 14.54 H new ATOM 0 HG LEU A 62 -4.256 -2.691 6.754 1.00 72.55 H new ATOM 0 HD11 LEU A 62 -6.209 -2.416 8.275 1.00 5.30 H new ATOM 0 HD12 LEU A 62 -6.346 -3.893 7.290 1.00 5.30 H new ATOM 0 HD13 LEU A 62 -5.858 -4.004 8.998 1.00 5.30 H new ATOM 0 HD21 LEU A 62 -3.999 -1.548 8.941 1.00 4.13 H new ATOM 0 HD22 LEU A 62 -3.571 -3.102 9.695 1.00 4.13 H new ATOM 0 HD23 LEU A 62 -2.508 -2.390 8.459 1.00 4.13 H new ATOM 1000 N LEU A 63 -1.829 -6.927 6.145 1.00 3.22 N ATOM 1001 CA LEU A 63 -1.041 -8.149 6.275 1.00 41.22 C ATOM 1002 C LEU A 63 0.375 -8.034 5.688 1.00 14.54 C ATOM 1003 O LEU A 63 1.150 -8.982 5.826 1.00 1.11 O ATOM 1004 CB LEU A 63 -1.783 -9.312 5.588 1.00 12.12 C ATOM 1005 CG LEU A 63 -2.961 -9.905 6.377 1.00 72.22 C ATOM 1006 CD1 LEU A 63 -3.611 -11.008 5.535 1.00 54.23 C ATOM 1007 CD2 LEU A 63 -2.510 -10.489 7.717 1.00 24.12 C ATOM 0 H LEU A 63 -2.644 -7.047 5.543 1.00 3.22 H new ATOM 0 HA LEU A 63 -0.924 -8.332 7.343 1.00 41.22 H new ATOM 0 HB2 LEU A 63 -2.153 -8.964 4.624 1.00 12.12 H new ATOM 0 HB3 LEU A 63 -1.066 -10.108 5.386 1.00 12.12 H new ATOM 0 HG LEU A 63 -3.672 -9.106 6.586 1.00 72.22 H new ATOM 0 HD11 LEU A 63 -4.449 -11.438 6.083 1.00 54.23 H new ATOM 0 HD12 LEU A 63 -3.970 -10.586 4.596 1.00 54.23 H new ATOM 0 HD13 LEU A 63 -2.877 -11.786 5.326 1.00 54.23 H new ATOM 0 HD21 LEU A 63 -3.372 -10.898 8.244 1.00 24.12 H new ATOM 0 HD22 LEU A 63 -1.782 -11.281 7.542 1.00 24.12 H new ATOM 0 HD23 LEU A 63 -2.054 -9.704 8.321 1.00 24.12 H new ATOM 1019 N GLN A 64 0.724 -6.927 5.021 1.00 32.41 N ATOM 1020 CA GLN A 64 2.047 -6.723 4.437 1.00 20.14 C ATOM 1021 C GLN A 64 2.985 -5.994 5.420 1.00 4.03 C ATOM 1022 O GLN A 64 4.082 -5.575 5.043 1.00 51.44 O ATOM 1023 CB GLN A 64 1.926 -5.989 3.090 1.00 73.53 C ATOM 1024 CG GLN A 64 0.819 -6.508 2.163 1.00 61.22 C ATOM 1025 CD GLN A 64 0.976 -7.959 1.720 1.00 22.03 C ATOM 1026 OE1 GLN A 64 2.045 -8.565 1.762 1.00 54.33 O ATOM 1027 NE2 GLN A 64 -0.122 -8.567 1.308 1.00 72.52 N ATOM 0 H GLN A 64 0.088 -6.144 4.873 1.00 32.41 H new ATOM 0 HA GLN A 64 2.499 -7.696 4.242 1.00 20.14 H new ATOM 0 HB2 GLN A 64 1.749 -4.931 3.285 1.00 73.53 H new ATOM 0 HB3 GLN A 64 2.880 -6.062 2.567 1.00 73.53 H new ATOM 0 HG2 GLN A 64 -0.139 -6.401 2.671 1.00 61.22 H new ATOM 0 HG3 GLN A 64 0.782 -5.875 1.276 1.00 61.22 H new ATOM 0 HE21 GLN A 64 -1.005 -8.058 1.276 1.00 72.52 H new ATOM 0 HE22 GLN A 64 -0.086 -9.545 1.022 1.00 72.52 H new ATOM 1036 N HIS A 65 2.555 -5.764 6.664 1.00 40.02 N ATOM 1037 CA HIS A 65 3.332 -5.109 7.699 1.00 65.43 C ATOM 1038 C HIS A 65 4.427 -6.065 8.162 1.00 13.45 C ATOM 1039 O HIS A 65 4.135 -7.126 8.716 1.00 54.31 O ATOM 1040 CB HIS A 65 2.419 -4.746 8.871 1.00 74.12 C ATOM 1041 CG HIS A 65 3.056 -3.863 9.905 1.00 11.45 C ATOM 1042 ND1 HIS A 65 4.190 -3.067 9.735 1.00 62.32 N ATOM 1043 CD2 HIS A 65 2.531 -3.634 11.137 1.00 74.34 C ATOM 1044 CE1 HIS A 65 4.326 -2.389 10.888 1.00 44.10 C ATOM 1045 NE2 HIS A 65 3.356 -2.723 11.752 1.00 24.30 N ATOM 0 H HIS A 65 1.626 -6.041 6.980 1.00 40.02 H new ATOM 0 HA HIS A 65 3.783 -4.195 7.312 1.00 65.43 H new ATOM 0 HB2 HIS A 65 1.531 -4.247 8.483 1.00 74.12 H new ATOM 0 HB3 HIS A 65 2.084 -5.665 9.352 1.00 74.12 H new ATOM 0 HD2 HIS A 65 1.640 -4.081 11.552 1.00 74.34 H new ATOM 0 HE1 HIS A 65 5.109 -1.673 11.091 1.00 44.10 H new ATOM 0 HE2 HIS A 65 3.249 -2.363 12.701 1.00 24.30 H new ATOM 1053 N GLY A 66 5.679 -5.697 7.918 1.00 4.33 N ATOM 1054 CA GLY A 66 6.852 -6.477 8.302 1.00 13.24 C ATOM 1055 C GLY A 66 7.381 -7.400 7.210 1.00 4.53 C ATOM 1056 O GLY A 66 8.286 -8.184 7.503 1.00 21.52 O ATOM 0 H GLY A 66 5.914 -4.829 7.437 1.00 4.33 H new ATOM 0 HA2 GLY A 66 7.647 -5.793 8.599 1.00 13.24 H new ATOM 0 HA3 GLY A 66 6.604 -7.076 9.178 1.00 13.24 H new ATOM 1060 N THR A 67 6.838 -7.370 5.988 1.00 53.20 N ATOM 1061 CA THR A 67 7.349 -8.239 4.935 1.00 31.04 C ATOM 1062 C THR A 67 8.722 -7.733 4.478 1.00 21.03 C ATOM 1063 O THR A 67 9.062 -6.556 4.621 1.00 43.03 O ATOM 1064 CB THR A 67 6.323 -8.387 3.795 1.00 71.03 C ATOM 1065 OG1 THR A 67 5.909 -7.147 3.260 1.00 21.32 O ATOM 1066 CG2 THR A 67 5.066 -9.122 4.278 1.00 63.11 C ATOM 0 H THR A 67 6.063 -6.767 5.712 1.00 53.20 H new ATOM 0 HA THR A 67 7.496 -9.249 5.319 1.00 31.04 H new ATOM 0 HB THR A 67 6.836 -8.955 3.019 1.00 71.03 H new ATOM 0 HG1 THR A 67 5.291 -6.711 3.884 1.00 21.32 H new ATOM 0 HG21 THR A 67 4.358 -9.213 3.454 1.00 63.11 H new ATOM 0 HG22 THR A 67 5.339 -10.116 4.633 1.00 63.11 H new ATOM 0 HG23 THR A 67 4.606 -8.560 5.091 1.00 63.11 H new ATOM 1074 N LEU A 68 9.546 -8.639 3.952 1.00 30.01 N ATOM 1075 CA LEU A 68 10.883 -8.355 3.459 1.00 33.34 C ATOM 1076 C LEU A 68 10.776 -8.258 1.945 1.00 64.13 C ATOM 1077 O LEU A 68 10.621 -9.263 1.248 1.00 32.32 O ATOM 1078 CB LEU A 68 11.875 -9.447 3.908 1.00 30.35 C ATOM 1079 CG LEU A 68 11.951 -9.709 5.432 1.00 52.11 C ATOM 1080 CD1 LEU A 68 13.295 -10.287 5.873 1.00 53.32 C ATOM 1081 CD2 LEU A 68 11.778 -8.437 6.245 1.00 21.45 C ATOM 0 H LEU A 68 9.288 -9.621 3.857 1.00 30.01 H new ATOM 0 HA LEU A 68 11.269 -7.420 3.865 1.00 33.34 H new ATOM 0 HB2 LEU A 68 11.607 -10.380 3.412 1.00 30.35 H new ATOM 0 HB3 LEU A 68 12.870 -9.173 3.556 1.00 30.35 H new ATOM 0 HG LEU A 68 11.143 -10.417 5.613 1.00 52.11 H new ATOM 0 HD11 LEU A 68 13.286 -10.448 6.951 1.00 53.32 H new ATOM 0 HD12 LEU A 68 13.467 -11.236 5.366 1.00 53.32 H new ATOM 0 HD13 LEU A 68 14.093 -9.589 5.618 1.00 53.32 H new ATOM 0 HD21 LEU A 68 11.839 -8.673 7.307 1.00 21.45 H new ATOM 0 HD22 LEU A 68 12.565 -7.729 5.985 1.00 21.45 H new ATOM 0 HD23 LEU A 68 10.806 -7.995 6.027 1.00 21.45 H new ATOM 1093 N LEU A 69 10.882 -7.041 1.428 1.00 63.41 N ATOM 1094 CA LEU A 69 10.797 -6.700 0.010 1.00 2.23 C ATOM 1095 C LEU A 69 12.185 -6.183 -0.345 1.00 4.05 C ATOM 1096 O LEU A 69 12.648 -5.247 0.304 1.00 23.54 O ATOM 1097 CB LEU A 69 9.664 -5.667 -0.154 1.00 1.11 C ATOM 1098 CG LEU A 69 8.785 -5.909 -1.393 1.00 32.32 C ATOM 1099 CD1 LEU A 69 7.382 -5.345 -1.146 1.00 74.22 C ATOM 1100 CD2 LEU A 69 9.360 -5.274 -2.657 1.00 74.20 C ATOM 0 H LEU A 69 11.038 -6.221 2.015 1.00 63.41 H new ATOM 0 HA LEU A 69 10.548 -7.523 -0.660 1.00 2.23 H new ATOM 0 HB2 LEU A 69 9.035 -5.685 0.736 1.00 1.11 H new ATOM 0 HB3 LEU A 69 10.099 -4.670 -0.217 1.00 1.11 H new ATOM 0 HG LEU A 69 8.748 -6.987 -1.552 1.00 32.32 H new ATOM 0 HD11 LEU A 69 6.761 -5.517 -2.025 1.00 74.22 H new ATOM 0 HD12 LEU A 69 6.937 -5.842 -0.284 1.00 74.22 H new ATOM 0 HD13 LEU A 69 7.449 -4.274 -0.953 1.00 74.22 H new ATOM 0 HD21 LEU A 69 8.699 -5.477 -3.499 1.00 74.20 H new ATOM 0 HD22 LEU A 69 9.448 -4.197 -2.516 1.00 74.20 H new ATOM 0 HD23 LEU A 69 10.345 -5.695 -2.860 1.00 74.20 H new ATOM 1112 N LYS A 70 12.872 -6.793 -1.319 1.00 55.04 N ATOM 1113 CA LYS A 70 14.240 -6.419 -1.715 1.00 42.11 C ATOM 1114 C LYS A 70 15.152 -6.282 -0.483 1.00 42.24 C ATOM 1115 O LYS A 70 15.879 -5.298 -0.323 1.00 1.14 O ATOM 1116 CB LYS A 70 14.276 -5.144 -2.549 1.00 40.52 C ATOM 1117 CG LYS A 70 13.568 -5.172 -3.893 1.00 31.25 C ATOM 1118 CD LYS A 70 13.676 -3.762 -4.494 1.00 61.03 C ATOM 1119 CE LYS A 70 12.586 -3.604 -5.538 1.00 20.25 C ATOM 1120 NZ LYS A 70 13.147 -3.513 -6.896 1.00 20.45 N ATOM 0 H LYS A 70 12.492 -7.569 -1.861 1.00 55.04 H new ATOM 0 HA LYS A 70 14.616 -7.227 -2.343 1.00 42.11 H new ATOM 0 HB2 LYS A 70 13.841 -4.340 -1.955 1.00 40.52 H new ATOM 0 HB3 LYS A 70 15.320 -4.884 -2.723 1.00 40.52 H new ATOM 0 HG2 LYS A 70 14.026 -5.908 -4.554 1.00 31.25 H new ATOM 0 HG3 LYS A 70 12.524 -5.459 -3.772 1.00 31.25 H new ATOM 0 HD2 LYS A 70 13.567 -3.008 -3.715 1.00 61.03 H new ATOM 0 HD3 LYS A 70 14.658 -3.616 -4.945 1.00 61.03 H new ATOM 0 HE2 LYS A 70 11.902 -4.451 -5.482 1.00 20.25 H new ATOM 0 HE3 LYS A 70 12.003 -2.708 -5.324 1.00 20.25 H new ATOM 0 HZ1 LYS A 70 12.386 -3.304 -7.573 1.00 20.45 H new ATOM 0 HZ2 LYS A 70 13.857 -2.754 -6.928 1.00 20.45 H new ATOM 0 HZ3 LYS A 70 13.596 -4.417 -7.148 1.00 20.45 H new ATOM 1134 N GLU A 71 15.086 -7.275 0.399 1.00 22.23 N ATOM 1135 CA GLU A 71 15.851 -7.369 1.641 1.00 2.22 C ATOM 1136 C GLU A 71 15.639 -6.190 2.601 1.00 1.34 C ATOM 1137 O GLU A 71 16.528 -5.875 3.398 1.00 50.31 O ATOM 1138 CB GLU A 71 17.338 -7.624 1.356 1.00 62.14 C ATOM 1139 CG GLU A 71 17.572 -8.835 0.451 1.00 4.43 C ATOM 1140 CD GLU A 71 19.022 -9.295 0.547 1.00 13.51 C ATOM 1141 OE1 GLU A 71 19.945 -8.465 0.408 1.00 43.34 O ATOM 1142 OE2 GLU A 71 19.237 -10.500 0.819 1.00 4.12 O ATOM 0 H GLU A 71 14.468 -8.075 0.262 1.00 22.23 H new ATOM 0 HA GLU A 71 15.453 -8.233 2.173 1.00 2.22 H new ATOM 0 HB2 GLU A 71 17.770 -6.739 0.889 1.00 62.14 H new ATOM 0 HB3 GLU A 71 17.863 -7.775 2.299 1.00 62.14 H new ATOM 0 HG2 GLU A 71 16.906 -9.648 0.740 1.00 4.43 H new ATOM 0 HG3 GLU A 71 17.332 -8.578 -0.581 1.00 4.43 H new ATOM 1149 N LYS A 72 14.482 -5.526 2.548 1.00 40.13 N ATOM 1150 CA LYS A 72 14.147 -4.410 3.420 1.00 74.32 C ATOM 1151 C LYS A 72 12.820 -4.722 4.079 1.00 40.44 C ATOM 1152 O LYS A 72 11.827 -4.993 3.402 1.00 10.32 O ATOM 1153 CB LYS A 72 14.139 -3.088 2.650 1.00 22.02 C ATOM 1154 CG LYS A 72 15.565 -2.524 2.606 1.00 62.50 C ATOM 1155 CD LYS A 72 16.002 -1.967 3.966 1.00 45.04 C ATOM 1156 CE LYS A 72 17.311 -1.195 3.861 1.00 72.24 C ATOM 1157 NZ LYS A 72 18.474 -2.059 3.584 1.00 32.14 N ATOM 0 H LYS A 72 13.742 -5.757 1.885 1.00 40.13 H new ATOM 0 HA LYS A 72 14.903 -4.284 4.195 1.00 74.32 H new ATOM 0 HB2 LYS A 72 13.765 -3.244 1.638 1.00 22.02 H new ATOM 0 HB3 LYS A 72 13.468 -2.377 3.131 1.00 22.02 H new ATOM 0 HG2 LYS A 72 16.256 -3.308 2.296 1.00 62.50 H new ATOM 0 HG3 LYS A 72 15.620 -1.735 1.856 1.00 62.50 H new ATOM 0 HD2 LYS A 72 15.224 -1.313 4.359 1.00 45.04 H new ATOM 0 HD3 LYS A 72 16.118 -2.786 4.675 1.00 45.04 H new ATOM 0 HE2 LYS A 72 17.224 -0.450 3.070 1.00 72.24 H new ATOM 0 HE3 LYS A 72 17.482 -0.654 4.792 1.00 72.24 H new ATOM 0 HZ1 LYS A 72 19.333 -1.476 3.524 1.00 32.14 H new ATOM 0 HZ2 LYS A 72 18.580 -2.754 4.350 1.00 32.14 H new ATOM 0 HZ3 LYS A 72 18.330 -2.557 2.682 1.00 32.14 H new ATOM 1171 N LYS A 73 12.820 -4.736 5.409 1.00 62.44 N ATOM 1172 CA LYS A 73 11.645 -5.008 6.208 1.00 13.31 C ATOM 1173 C LYS A 73 10.850 -3.717 6.296 1.00 63.51 C ATOM 1174 O LYS A 73 11.213 -2.784 7.019 1.00 64.14 O ATOM 1175 CB LYS A 73 12.059 -5.484 7.593 1.00 20.51 C ATOM 1176 CG LYS A 73 10.822 -6.024 8.309 1.00 14.31 C ATOM 1177 CD LYS A 73 11.207 -6.905 9.497 1.00 32.21 C ATOM 1178 CE LYS A 73 10.616 -6.439 10.821 1.00 41.31 C ATOM 1179 NZ LYS A 73 10.852 -5.002 11.111 1.00 15.11 N ATOM 0 H LYS A 73 13.656 -4.554 5.965 1.00 62.44 H new ATOM 0 HA LYS A 73 11.038 -5.793 5.758 1.00 13.31 H new ATOM 0 HB2 LYS A 73 12.821 -6.260 7.515 1.00 20.51 H new ATOM 0 HB3 LYS A 73 12.497 -4.663 8.161 1.00 20.51 H new ATOM 0 HG2 LYS A 73 10.207 -5.193 8.654 1.00 14.31 H new ATOM 0 HG3 LYS A 73 10.216 -6.599 7.609 1.00 14.31 H new ATOM 0 HD2 LYS A 73 10.879 -7.926 9.302 1.00 32.21 H new ATOM 0 HD3 LYS A 73 12.293 -6.930 9.583 1.00 32.21 H new ATOM 0 HE2 LYS A 73 9.542 -6.627 10.815 1.00 41.31 H new ATOM 0 HE3 LYS A 73 11.040 -7.037 11.628 1.00 41.31 H new ATOM 0 HZ1 LYS A 73 10.822 -4.846 12.139 1.00 15.11 H new ATOM 0 HZ2 LYS A 73 11.785 -4.723 10.745 1.00 15.11 H new ATOM 0 HZ3 LYS A 73 10.115 -4.430 10.652 1.00 15.11 H new ATOM 1193 N ILE A 74 9.796 -3.658 5.513 1.00 73.21 N ATOM 1194 CA ILE A 74 8.904 -2.517 5.428 1.00 41.14 C ATOM 1195 C ILE A 74 7.825 -2.585 6.513 1.00 51.02 C ATOM 1196 O ILE A 74 7.692 -3.582 7.225 1.00 34.41 O ATOM 1197 CB ILE A 74 8.367 -2.401 3.989 1.00 54.24 C ATOM 1198 CG1 ILE A 74 7.508 -3.622 3.609 1.00 23.14 C ATOM 1199 CG2 ILE A 74 9.554 -2.208 3.025 1.00 34.32 C ATOM 1200 CD1 ILE A 74 7.124 -3.674 2.140 1.00 62.11 C ATOM 0 H ILE A 74 9.525 -4.425 4.898 1.00 73.21 H new ATOM 0 HA ILE A 74 9.441 -1.591 5.633 1.00 41.14 H new ATOM 0 HB ILE A 74 7.711 -1.533 3.916 1.00 54.24 H new ATOM 0 HG12 ILE A 74 8.054 -4.531 3.864 1.00 23.14 H new ATOM 0 HG13 ILE A 74 6.600 -3.616 4.211 1.00 23.14 H new ATOM 0 HG21 ILE A 74 9.183 -2.125 2.003 1.00 34.32 H new ATOM 0 HG22 ILE A 74 10.094 -1.299 3.290 1.00 34.32 H new ATOM 0 HG23 ILE A 74 10.225 -3.063 3.099 1.00 34.32 H new ATOM 0 HD11 ILE A 74 6.521 -4.562 1.953 1.00 62.11 H new ATOM 0 HD12 ILE A 74 6.550 -2.784 1.882 1.00 62.11 H new ATOM 0 HD13 ILE A 74 8.026 -3.713 1.529 1.00 62.11 H new ATOM 1212 N ASN A 75 7.076 -1.499 6.680 1.00 42.34 N ATOM 1213 CA ASN A 75 5.988 -1.349 7.643 1.00 14.20 C ATOM 1214 C ASN A 75 4.753 -0.849 6.933 1.00 63.01 C ATOM 1215 O ASN A 75 4.890 -0.191 5.907 1.00 61.53 O ATOM 1216 CB ASN A 75 6.333 -0.348 8.758 1.00 64.52 C ATOM 1217 CG ASN A 75 6.953 0.957 8.276 1.00 73.53 C ATOM 1218 OD1 ASN A 75 8.163 1.129 8.358 1.00 34.13 O ATOM 1219 ND2 ASN A 75 6.172 1.914 7.805 1.00 61.33 N ATOM 0 H ASN A 75 7.218 -0.658 6.120 1.00 42.34 H new ATOM 0 HA ASN A 75 5.820 -2.327 8.093 1.00 14.20 H new ATOM 0 HB2 ASN A 75 5.424 -0.118 9.315 1.00 64.52 H new ATOM 0 HB3 ASN A 75 7.022 -0.825 9.455 1.00 64.52 H new ATOM 0 HD21 ASN A 75 6.576 2.802 7.507 1.00 61.33 H new ATOM 0 HD22 ASN A 75 5.165 1.764 7.739 1.00 61.33 H new ATOM 1226 N VAL A 76 3.576 -1.124 7.493 1.00 34.32 N ATOM 1227 CA VAL A 76 2.289 -0.704 6.951 1.00 54.11 C ATOM 1228 C VAL A 76 1.458 -0.098 8.087 1.00 52.20 C ATOM 1229 O VAL A 76 1.566 -0.530 9.235 1.00 13.53 O ATOM 1230 CB VAL A 76 1.590 -1.920 6.310 1.00 44.33 C ATOM 1231 CG1 VAL A 76 0.138 -1.634 5.913 1.00 10.22 C ATOM 1232 CG2 VAL A 76 2.327 -2.434 5.071 1.00 45.34 C ATOM 0 H VAL A 76 3.491 -1.658 8.358 1.00 34.32 H new ATOM 0 HA VAL A 76 2.415 0.053 6.176 1.00 54.11 H new ATOM 0 HB VAL A 76 1.605 -2.683 7.089 1.00 44.33 H new ATOM 0 HG11 VAL A 76 -0.300 -2.527 5.468 1.00 10.22 H new ATOM 0 HG12 VAL A 76 -0.433 -1.353 6.798 1.00 10.22 H new ATOM 0 HG13 VAL A 76 0.112 -0.818 5.190 1.00 10.22 H new ATOM 0 HG21 VAL A 76 1.793 -3.290 4.659 1.00 45.34 H new ATOM 0 HG22 VAL A 76 2.376 -1.643 4.323 1.00 45.34 H new ATOM 0 HG23 VAL A 76 3.337 -2.735 5.348 1.00 45.34 H new ATOM 1242 N GLU A 77 0.602 0.869 7.756 1.00 64.42 N ATOM 1243 CA GLU A 77 -0.294 1.582 8.658 1.00 41.43 C ATOM 1244 C GLU A 77 -1.358 2.327 7.836 1.00 43.15 C ATOM 1245 O GLU A 77 -1.308 2.329 6.600 1.00 3.11 O ATOM 1246 CB GLU A 77 0.511 2.560 9.540 1.00 24.30 C ATOM 1247 CG GLU A 77 1.564 3.419 8.822 1.00 22.44 C ATOM 1248 CD GLU A 77 2.933 3.336 9.492 1.00 24.23 C ATOM 1249 OE1 GLU A 77 3.194 4.111 10.450 1.00 25.40 O ATOM 1250 OE2 GLU A 77 3.796 2.544 9.048 1.00 1.31 O ATOM 0 H GLU A 77 0.513 1.193 6.793 1.00 64.42 H new ATOM 0 HA GLU A 77 -0.795 0.872 9.315 1.00 41.43 H new ATOM 0 HB2 GLU A 77 -0.192 3.227 10.039 1.00 24.30 H new ATOM 0 HB3 GLU A 77 1.012 1.985 10.318 1.00 24.30 H new ATOM 0 HG2 GLU A 77 1.649 3.094 7.785 1.00 22.44 H new ATOM 0 HG3 GLU A 77 1.233 4.457 8.805 1.00 22.44 H new ATOM 1257 N LEU A 78 -2.357 2.902 8.506 1.00 43.42 N ATOM 1258 CA LEU A 78 -3.441 3.682 7.926 1.00 55.10 C ATOM 1259 C LEU A 78 -3.065 5.159 8.063 1.00 43.10 C ATOM 1260 O LEU A 78 -2.283 5.550 8.941 1.00 24.40 O ATOM 1261 CB LEU A 78 -4.770 3.436 8.663 1.00 25.23 C ATOM 1262 CG LEU A 78 -5.699 2.335 8.143 1.00 41.12 C ATOM 1263 CD1 LEU A 78 -6.181 2.600 6.710 1.00 52.41 C ATOM 1264 CD2 LEU A 78 -5.103 0.935 8.264 1.00 15.14 C ATOM 0 H LEU A 78 -2.432 2.830 9.521 1.00 43.42 H new ATOM 0 HA LEU A 78 -3.578 3.391 6.884 1.00 55.10 H new ATOM 0 HB2 LEU A 78 -4.536 3.209 9.703 1.00 25.23 H new ATOM 0 HB3 LEU A 78 -5.330 4.371 8.659 1.00 25.23 H new ATOM 0 HG LEU A 78 -6.569 2.368 8.799 1.00 41.12 H new ATOM 0 HD11 LEU A 78 -6.836 1.789 6.391 1.00 52.41 H new ATOM 0 HD12 LEU A 78 -6.728 3.542 6.678 1.00 52.41 H new ATOM 0 HD13 LEU A 78 -5.322 2.657 6.042 1.00 52.41 H new ATOM 0 HD21 LEU A 78 -5.812 0.203 7.878 1.00 15.14 H new ATOM 0 HD22 LEU A 78 -4.178 0.882 7.689 1.00 15.14 H new ATOM 0 HD23 LEU A 78 -4.892 0.719 9.311 1.00 15.14 H new ATOM 1276 N THR A 79 -3.592 5.990 7.165 1.00 32.44 N ATOM 1277 CA THR A 79 -3.329 7.418 7.185 1.00 34.01 C ATOM 1278 C THR A 79 -4.598 8.162 6.772 1.00 14.12 C ATOM 1279 O THR A 79 -4.785 8.508 5.606 1.00 64.54 O ATOM 1280 CB THR A 79 -2.062 7.681 6.352 1.00 14.10 C ATOM 1281 OG1 THR A 79 -1.653 9.031 6.359 1.00 21.22 O ATOM 1282 CG2 THR A 79 -1.997 7.060 4.971 1.00 1.14 C ATOM 0 H THR A 79 -4.209 5.690 6.410 1.00 32.44 H new ATOM 0 HA THR A 79 -3.103 7.809 8.177 1.00 34.01 H new ATOM 0 HB THR A 79 -1.317 7.110 6.906 1.00 14.10 H new ATOM 0 HG1 THR A 79 -0.844 9.131 5.814 1.00 21.22 H new ATOM 0 HG21 THR A 79 -1.052 7.326 4.497 1.00 1.14 H new ATOM 0 HG22 THR A 79 -2.068 5.976 5.056 1.00 1.14 H new ATOM 0 HG23 THR A 79 -2.824 7.431 4.366 1.00 1.14 H new ATOM 1290 N VAL A 80 -5.511 8.359 7.732 1.00 41.34 N ATOM 1291 CA VAL A 80 -6.775 9.064 7.511 1.00 25.01 C ATOM 1292 C VAL A 80 -7.476 9.398 8.824 1.00 35.51 C ATOM 1293 O VAL A 80 -7.936 10.525 9.016 1.00 65.01 O ATOM 1294 CB VAL A 80 -7.688 8.325 6.495 1.00 44.31 C ATOM 1295 CG1 VAL A 80 -7.831 6.817 6.747 1.00 32.55 C ATOM 1296 CG2 VAL A 80 -9.074 8.973 6.388 1.00 34.01 C ATOM 0 H VAL A 80 -5.390 8.030 8.690 1.00 41.34 H new ATOM 0 HA VAL A 80 -6.536 10.021 7.048 1.00 25.01 H new ATOM 0 HB VAL A 80 -7.168 8.431 5.543 1.00 44.31 H new ATOM 0 HG11 VAL A 80 -8.485 6.382 5.991 1.00 32.55 H new ATOM 0 HG12 VAL A 80 -6.850 6.345 6.693 1.00 32.55 H new ATOM 0 HG13 VAL A 80 -8.259 6.652 7.736 1.00 32.55 H new ATOM 0 HG21 VAL A 80 -9.678 8.423 5.666 1.00 34.01 H new ATOM 0 HG22 VAL A 80 -9.562 8.950 7.362 1.00 34.01 H new ATOM 0 HG23 VAL A 80 -8.968 10.007 6.059 1.00 34.01 H new ATOM 1306 N GLY A 81 -7.537 8.447 9.747 1.00 3.51 N ATOM 1307 CA GLY A 81 -8.206 8.658 11.027 1.00 4.32 C ATOM 1308 C GLY A 81 -7.963 7.559 12.055 1.00 54.34 C ATOM 1309 O GLY A 81 -8.746 7.405 12.996 1.00 15.13 O ATOM 0 H GLY A 81 -7.130 7.518 9.634 1.00 3.51 H new ATOM 0 HA2 GLY A 81 -7.873 9.608 11.444 1.00 4.32 H new ATOM 0 HA3 GLY A 81 -9.278 8.744 10.852 1.00 4.32 H new ATOM 1313 N GLY A 82 -6.925 6.760 11.843 1.00 52.13 N ATOM 1314 CA GLY A 82 -6.455 5.639 12.633 1.00 41.15 C ATOM 1315 C GLY A 82 -5.345 4.985 11.819 1.00 70.03 C ATOM 1316 O GLY A 82 -4.944 3.854 12.173 1.00 72.22 O ATOM 0 H GLY A 82 -6.332 6.900 11.025 1.00 52.13 H new ATOM 0 HA2 GLY A 82 -6.083 5.973 13.601 1.00 41.15 H new ATOM 0 HA3 GLY A 82 -7.263 4.934 12.828 1.00 41.15 H new TER 1320 GLY A 82