USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0755 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.844 K(o=-0.84,f=-3.1!) USER MOD Single : A 12 SER OG : rot -80:sc= 0.224 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= -0.398 (180deg=-0.479) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -40:sc= 0.42 USER MOD Single : A 21 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.74) USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 0.0728 (180deg=-0.721) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.0938 (180deg=-0.525) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 163:sc= 0.3 USER MOD Single : A 40 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.086 F(o=-1.5,f=-0.086) USER MOD Single : A 71 THR OG1 : rot 124:sc= -1.01 USER MOD Single : A 77 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.2!) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= -0.295 (180deg=-0.361) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= -0.0871 (180deg=-0.926) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.349 7.666 -0.650 1.00 21.43 N ATOM 2 CA GLY A 1 1.091 7.804 -0.761 1.00 64.22 C ATOM 3 C GLY A 1 1.709 8.442 0.467 1.00 43.31 C ATOM 4 O GLY A 1 1.038 8.688 1.470 1.00 63.54 O ATOM 0 H1 GLY A 1 -0.602 6.657 -0.652 1.00 21.43 H new ATOM 0 H2 GLY A 1 -0.672 8.102 0.237 1.00 21.43 H new ATOM 0 H3 GLY A 1 -0.806 8.140 -1.455 1.00 21.43 H new ATOM 0 HA2 GLY A 1 1.536 6.822 -0.919 1.00 64.22 H new ATOM 0 HA3 GLY A 1 1.329 8.406 -1.638 1.00 64.22 H new ATOM 8 N PRO A 2 3.020 8.720 0.398 1.00 13.42 N ATOM 9 CA PRO A 2 3.757 9.337 1.505 1.00 22.40 C ATOM 10 C PRO A 2 3.360 10.792 1.727 1.00 21.01 C ATOM 11 O PRO A 2 3.218 11.240 2.864 1.00 53.21 O ATOM 12 CB PRO A 2 5.217 9.244 1.054 1.00 60.51 C ATOM 13 CG PRO A 2 5.151 9.190 -0.433 1.00 42.14 C ATOM 14 CD PRO A 2 3.882 8.455 -0.766 1.00 0.14 C ATOM 0 HA PRO A 2 3.557 8.840 2.454 1.00 22.40 H new ATOM 0 HB2 PRO A 2 5.792 10.105 1.394 1.00 60.51 H new ATOM 0 HB3 PRO A 2 5.701 8.357 1.461 1.00 60.51 H new ATOM 0 HG2 PRO A 2 5.144 10.193 -0.860 1.00 42.14 H new ATOM 0 HG3 PRO A 2 6.019 8.675 -0.844 1.00 42.14 H new ATOM 0 HD2 PRO A 2 3.435 8.823 -1.689 1.00 0.14 H new ATOM 0 HD3 PRO A 2 4.059 7.388 -0.901 1.00 0.14 H new ATOM 22 N GLY A 3 3.182 11.526 0.633 1.00 61.13 N ATOM 23 CA GLY A 3 2.803 12.923 0.730 1.00 14.22 C ATOM 24 C GLY A 3 3.965 13.814 1.123 1.00 33.42 C ATOM 25 O GLY A 3 3.767 14.900 1.667 1.00 30.24 O ATOM 0 H GLY A 3 3.294 11.178 -0.319 1.00 61.13 H new ATOM 0 HA2 GLY A 3 2.403 13.255 -0.228 1.00 14.22 H new ATOM 0 HA3 GLY A 3 2.004 13.029 1.463 1.00 14.22 H new ATOM 29 N SER A 4 5.181 13.352 0.849 1.00 52.54 N ATOM 30 CA SER A 4 6.380 14.112 1.182 1.00 12.41 C ATOM 31 C SER A 4 7.222 14.372 -0.063 1.00 24.20 C ATOM 32 O SER A 4 6.892 13.912 -1.156 1.00 25.13 O ATOM 33 CB SER A 4 7.210 13.363 2.227 1.00 52.45 C ATOM 34 OG SER A 4 6.433 13.058 3.372 1.00 60.54 O ATOM 0 H SER A 4 5.362 12.455 0.397 1.00 52.54 H new ATOM 0 HA SER A 4 6.069 15.072 1.595 1.00 12.41 H new ATOM 0 HB2 SER A 4 7.601 12.443 1.794 1.00 52.45 H new ATOM 0 HB3 SER A 4 8.068 13.969 2.517 1.00 52.45 H new ATOM 0 HG SER A 4 6.985 12.578 4.024 1.00 60.54 H new ATOM 40 N MET A 5 8.312 15.112 0.111 1.00 2.25 N ATOM 41 CA MET A 5 9.204 15.432 -0.997 1.00 54.54 C ATOM 42 C MET A 5 9.972 14.196 -1.452 1.00 22.33 C ATOM 43 O MET A 5 10.719 13.598 -0.677 1.00 4.33 O ATOM 44 CB MET A 5 10.183 16.535 -0.590 1.00 60.03 C ATOM 45 CG MET A 5 9.527 17.684 0.158 1.00 45.53 C ATOM 46 SD MET A 5 10.650 19.070 0.424 1.00 41.00 S ATOM 47 CE MET A 5 11.524 18.521 1.888 1.00 65.14 C ATOM 0 H MET A 5 8.599 15.501 1.009 1.00 2.25 H new ATOM 0 HA MET A 5 8.596 15.786 -1.829 1.00 54.54 H new ATOM 0 HB2 MET A 5 10.964 16.103 0.036 1.00 60.03 H new ATOM 0 HB3 MET A 5 10.670 16.925 -1.484 1.00 60.03 H new ATOM 0 HG2 MET A 5 8.658 18.028 -0.402 1.00 45.53 H new ATOM 0 HG3 MET A 5 9.164 17.325 1.121 1.00 45.53 H new ATOM 0 HE1 MET A 5 12.257 19.274 2.178 1.00 65.14 H new ATOM 0 HE2 MET A 5 10.814 18.373 2.702 1.00 65.14 H new ATOM 0 HE3 MET A 5 12.034 17.581 1.676 1.00 65.14 H new ATOM 57 N ASP A 6 9.784 13.817 -2.711 1.00 13.00 N ATOM 58 CA ASP A 6 10.460 12.652 -3.268 1.00 61.54 C ATOM 59 C ASP A 6 10.449 12.694 -4.793 1.00 52.32 C ATOM 60 O ASP A 6 9.632 13.387 -5.398 1.00 41.33 O ATOM 61 CB ASP A 6 9.794 11.365 -2.777 1.00 2.31 C ATOM 62 CG ASP A 6 10.417 10.843 -1.497 1.00 41.41 C ATOM 63 OD1 ASP A 6 11.604 10.456 -1.529 1.00 41.15 O ATOM 64 OD2 ASP A 6 9.718 10.823 -0.463 1.00 11.12 O ATOM 0 H ASP A 6 9.169 14.300 -3.365 1.00 13.00 H new ATOM 0 HA ASP A 6 11.496 12.668 -2.929 1.00 61.54 H new ATOM 0 HB2 ASP A 6 8.732 11.549 -2.612 1.00 2.31 H new ATOM 0 HB3 ASP A 6 9.869 10.602 -3.552 1.00 2.31 H new ATOM 69 N ASN A 7 11.362 11.949 -5.408 1.00 11.31 N ATOM 70 CA ASN A 7 11.458 11.904 -6.862 1.00 70.44 C ATOM 71 C ASN A 7 10.109 11.560 -7.486 1.00 54.32 C ATOM 72 O ASN A 7 9.659 12.223 -8.421 1.00 51.02 O ATOM 73 CB ASN A 7 12.507 10.877 -7.293 1.00 24.21 C ATOM 74 CG ASN A 7 12.401 10.523 -8.764 1.00 33.24 C ATOM 75 OD1 ASN A 7 11.945 11.328 -9.576 1.00 4.21 O ATOM 76 ND2 ASN A 7 12.821 9.313 -9.113 1.00 21.53 N ATOM 0 H ASN A 7 12.046 11.369 -4.922 1.00 11.31 H new ATOM 0 HA ASN A 7 11.760 12.891 -7.212 1.00 70.44 H new ATOM 0 HB2 ASN A 7 13.502 11.271 -7.088 1.00 24.21 H new ATOM 0 HB3 ASN A 7 12.393 9.973 -6.695 1.00 24.21 H new ATOM 0 HD21 ASN A 7 12.773 9.018 -10.088 1.00 21.53 H new ATOM 0 HD22 ASN A 7 13.192 8.678 -8.406 1.00 21.53 H new ATOM 83 N ASP A 8 9.468 10.521 -6.962 1.00 11.51 N ATOM 84 CA ASP A 8 8.169 10.091 -7.466 1.00 31.34 C ATOM 85 C ASP A 8 7.050 10.955 -6.893 1.00 1.20 C ATOM 86 O ASP A 8 5.877 10.758 -7.209 1.00 24.54 O ATOM 87 CB ASP A 8 7.925 8.622 -7.117 1.00 35.31 C ATOM 88 CG ASP A 8 8.981 7.704 -7.701 1.00 52.52 C ATOM 89 OD1 ASP A 8 8.852 7.329 -8.886 1.00 2.44 O ATOM 90 OD2 ASP A 8 9.937 7.362 -6.974 1.00 54.33 O ATOM 0 H ASP A 8 9.827 9.961 -6.189 1.00 11.51 H new ATOM 0 HA ASP A 8 8.172 10.204 -8.550 1.00 31.34 H new ATOM 0 HB2 ASP A 8 7.907 8.507 -6.033 1.00 35.31 H new ATOM 0 HB3 ASP A 8 6.944 8.322 -7.485 1.00 35.31 H new ATOM 95 N GLU A 9 7.422 11.913 -6.049 1.00 72.20 N ATOM 96 CA GLU A 9 6.449 12.806 -5.431 1.00 75.33 C ATOM 97 C GLU A 9 6.474 14.180 -6.093 1.00 44.42 C ATOM 98 O GLU A 9 5.575 14.996 -5.889 1.00 53.03 O ATOM 99 CB GLU A 9 6.728 12.944 -3.933 1.00 65.53 C ATOM 100 CG GLU A 9 6.035 11.890 -3.085 1.00 44.52 C ATOM 101 CD GLU A 9 4.597 12.251 -2.768 1.00 20.11 C ATOM 102 OE1 GLU A 9 4.383 13.134 -1.911 1.00 54.13 O ATOM 103 OE2 GLU A 9 3.686 11.650 -3.375 1.00 44.34 O ATOM 0 H GLU A 9 8.389 12.090 -5.778 1.00 72.20 H new ATOM 0 HA GLU A 9 5.458 12.373 -5.570 1.00 75.33 H new ATOM 0 HB2 GLU A 9 7.803 12.884 -3.765 1.00 65.53 H new ATOM 0 HB3 GLU A 9 6.409 13.932 -3.602 1.00 65.53 H new ATOM 0 HG2 GLU A 9 6.059 10.934 -3.608 1.00 44.52 H new ATOM 0 HG3 GLU A 9 6.586 11.758 -2.154 1.00 44.52 H new ATOM 110 N ILE A 10 7.512 14.429 -6.886 1.00 14.44 N ATOM 111 CA ILE A 10 7.655 15.704 -7.578 1.00 13.23 C ATOM 112 C ILE A 10 6.375 16.073 -8.321 1.00 1.14 C ATOM 113 O ILE A 10 5.816 17.151 -8.119 1.00 2.42 O ATOM 114 CB ILE A 10 8.825 15.673 -8.578 1.00 41.32 C ATOM 115 CG1 ILE A 10 10.119 15.266 -7.870 1.00 60.15 C ATOM 116 CG2 ILE A 10 8.986 17.030 -9.248 1.00 13.04 C ATOM 117 CD1 ILE A 10 11.324 15.238 -8.784 1.00 24.20 C ATOM 0 H ILE A 10 8.265 13.765 -7.065 1.00 14.44 H new ATOM 0 HA ILE A 10 7.859 16.456 -6.816 1.00 13.23 H new ATOM 0 HB ILE A 10 8.606 14.933 -9.348 1.00 41.32 H new ATOM 0 HG12 ILE A 10 10.310 15.960 -7.052 1.00 60.15 H new ATOM 0 HG13 ILE A 10 9.986 14.279 -7.427 1.00 60.15 H new ATOM 0 HG21 ILE A 10 9.817 16.992 -9.952 1.00 13.04 H new ATOM 0 HG22 ILE A 10 8.070 17.283 -9.782 1.00 13.04 H new ATOM 0 HG23 ILE A 10 9.186 17.788 -8.491 1.00 13.04 H new ATOM 0 HD11 ILE A 10 12.205 14.942 -8.215 1.00 24.20 H new ATOM 0 HD12 ILE A 10 11.154 14.523 -9.589 1.00 24.20 H new ATOM 0 HD13 ILE A 10 11.482 16.230 -9.208 1.00 24.20 H new ATOM 129 N PHE A 11 5.915 15.170 -9.180 1.00 20.11 N ATOM 130 CA PHE A 11 4.700 15.399 -9.953 1.00 41.50 C ATOM 131 C PHE A 11 3.485 15.508 -9.037 1.00 33.52 C ATOM 132 O PHE A 11 2.461 16.079 -9.411 1.00 13.10 O ATOM 133 CB PHE A 11 4.492 14.270 -10.964 1.00 22.44 C ATOM 134 CG PHE A 11 3.681 13.125 -10.425 1.00 45.53 C ATOM 135 CD1 PHE A 11 4.118 12.408 -9.323 1.00 61.13 C ATOM 136 CD2 PHE A 11 2.483 12.768 -11.021 1.00 34.02 C ATOM 137 CE1 PHE A 11 3.374 11.354 -8.827 1.00 3.24 C ATOM 138 CE2 PHE A 11 1.734 11.715 -10.528 1.00 43.42 C ATOM 139 CZ PHE A 11 2.180 11.008 -9.429 1.00 4.31 C ATOM 0 H PHE A 11 6.365 14.272 -9.359 1.00 20.11 H new ATOM 0 HA PHE A 11 4.813 16.341 -10.490 1.00 41.50 H new ATOM 0 HB2 PHE A 11 3.997 14.671 -11.848 1.00 22.44 H new ATOM 0 HB3 PHE A 11 5.464 13.897 -11.285 1.00 22.44 H new ATOM 0 HD1 PHE A 11 5.050 12.675 -8.847 1.00 61.13 H new ATOM 0 HD2 PHE A 11 2.130 13.318 -11.881 1.00 34.02 H new ATOM 0 HE1 PHE A 11 3.726 10.801 -7.969 1.00 3.24 H new ATOM 0 HE2 PHE A 11 0.802 11.446 -11.002 1.00 43.42 H new ATOM 0 HZ PHE A 11 1.596 10.186 -9.041 1.00 4.31 H new ATOM 149 N SER A 12 3.606 14.954 -7.835 1.00 22.44 N ATOM 150 CA SER A 12 2.517 14.983 -6.866 1.00 11.33 C ATOM 151 C SER A 12 2.422 16.351 -6.196 1.00 65.11 C ATOM 152 O SER A 12 1.342 16.934 -6.097 1.00 25.35 O ATOM 153 CB SER A 12 2.718 13.897 -5.807 1.00 2.30 C ATOM 154 OG SER A 12 3.074 14.463 -4.557 1.00 41.04 O ATOM 0 H SER A 12 4.448 14.479 -7.509 1.00 22.44 H new ATOM 0 HA SER A 12 1.585 14.793 -7.399 1.00 11.33 H new ATOM 0 HB2 SER A 12 1.802 13.316 -5.699 1.00 2.30 H new ATOM 0 HB3 SER A 12 3.497 13.207 -6.132 1.00 2.30 H new ATOM 0 HG SER A 12 4.030 14.677 -4.555 1.00 41.04 H new ATOM 160 N LYS A 13 3.562 16.858 -5.738 1.00 11.10 N ATOM 161 CA LYS A 13 3.611 18.158 -5.078 1.00 71.44 C ATOM 162 C LYS A 13 3.215 19.272 -6.042 1.00 4.11 C ATOM 163 O LYS A 13 2.461 20.177 -5.684 1.00 74.55 O ATOM 164 CB LYS A 13 5.014 18.420 -4.527 1.00 21.12 C ATOM 165 CG LYS A 13 5.206 19.831 -3.999 1.00 43.23 C ATOM 166 CD LYS A 13 6.539 19.983 -3.286 1.00 3.21 C ATOM 167 CE LYS A 13 6.426 19.627 -1.812 1.00 22.34 C ATOM 168 NZ LYS A 13 7.549 20.196 -1.016 1.00 30.53 N ATOM 0 H LYS A 13 4.464 16.388 -5.812 1.00 11.10 H new ATOM 0 HA LYS A 13 2.900 18.146 -4.252 1.00 71.44 H new ATOM 0 HB2 LYS A 13 5.219 17.710 -3.726 1.00 21.12 H new ATOM 0 HB3 LYS A 13 5.745 18.233 -5.314 1.00 21.12 H new ATOM 0 HG2 LYS A 13 5.151 20.540 -4.825 1.00 43.23 H new ATOM 0 HG3 LYS A 13 4.395 20.077 -3.313 1.00 43.23 H new ATOM 0 HD2 LYS A 13 7.282 19.342 -3.760 1.00 3.21 H new ATOM 0 HD3 LYS A 13 6.892 21.009 -3.388 1.00 3.21 H new ATOM 0 HE2 LYS A 13 5.479 19.998 -1.420 1.00 22.34 H new ATOM 0 HE3 LYS A 13 6.414 18.543 -1.700 1.00 22.34 H new ATOM 0 HZ1 LYS A 13 7.483 19.861 -0.034 1.00 30.53 H new ATOM 0 HZ2 LYS A 13 8.455 19.890 -1.425 1.00 30.53 H new ATOM 0 HZ3 LYS A 13 7.495 21.234 -1.032 1.00 30.53 H new ATOM 182 N VAL A 14 3.729 19.200 -7.266 1.00 0.12 N ATOM 183 CA VAL A 14 3.427 20.201 -8.282 1.00 2.53 C ATOM 184 C VAL A 14 1.947 20.186 -8.645 1.00 52.45 C ATOM 185 O VAL A 14 1.322 21.237 -8.791 1.00 43.24 O ATOM 186 CB VAL A 14 4.260 19.976 -9.557 1.00 64.23 C ATOM 187 CG1 VAL A 14 3.916 21.017 -10.611 1.00 60.14 C ATOM 188 CG2 VAL A 14 5.747 20.004 -9.234 1.00 74.52 C ATOM 0 H VAL A 14 4.356 18.459 -7.578 1.00 0.12 H new ATOM 0 HA VAL A 14 3.684 21.171 -7.857 1.00 2.53 H new ATOM 0 HB VAL A 14 4.017 18.993 -9.959 1.00 64.23 H new ATOM 0 HG11 VAL A 14 4.515 20.842 -11.505 1.00 60.14 H new ATOM 0 HG12 VAL A 14 2.858 20.944 -10.863 1.00 60.14 H new ATOM 0 HG13 VAL A 14 4.128 22.013 -10.222 1.00 60.14 H new ATOM 0 HG21 VAL A 14 6.321 19.843 -10.147 1.00 74.52 H new ATOM 0 HG22 VAL A 14 6.008 20.972 -8.807 1.00 74.52 H new ATOM 0 HG23 VAL A 14 5.978 19.217 -8.517 1.00 74.52 H new ATOM 198 N ARG A 15 1.391 18.988 -8.790 1.00 71.11 N ATOM 199 CA ARG A 15 -0.017 18.836 -9.138 1.00 22.44 C ATOM 200 C ARG A 15 -0.913 19.296 -7.991 1.00 63.14 C ATOM 201 O ARG A 15 -2.022 19.782 -8.214 1.00 24.23 O ATOM 202 CB ARG A 15 -0.323 17.378 -9.485 1.00 35.41 C ATOM 203 CG ARG A 15 -1.627 17.194 -10.245 1.00 63.21 C ATOM 204 CD ARG A 15 -2.565 16.241 -9.520 1.00 42.25 C ATOM 205 NE ARG A 15 -2.719 16.591 -8.111 1.00 41.51 N ATOM 206 CZ ARG A 15 -3.557 15.972 -7.287 1.00 40.03 C ATOM 207 NH1 ARG A 15 -4.312 14.976 -7.730 1.00 1.11 N ATOM 208 NH2 ARG A 15 -3.641 16.348 -6.018 1.00 4.34 N ATOM 0 H ARG A 15 1.894 18.108 -8.672 1.00 71.11 H new ATOM 0 HA ARG A 15 -0.220 19.460 -10.008 1.00 22.44 H new ATOM 0 HB2 ARG A 15 0.496 16.976 -10.082 1.00 35.41 H new ATOM 0 HB3 ARG A 15 -0.363 16.795 -8.565 1.00 35.41 H new ATOM 0 HG2 ARG A 15 -2.115 18.160 -10.372 1.00 63.21 H new ATOM 0 HG3 ARG A 15 -1.417 16.810 -11.243 1.00 63.21 H new ATOM 0 HD2 ARG A 15 -3.541 16.254 -10.005 1.00 42.25 H new ATOM 0 HD3 ARG A 15 -2.182 15.224 -9.601 1.00 42.25 H new ATOM 0 HE ARG A 15 -2.152 17.353 -7.739 1.00 41.51 H new ATOM 0 HH11 ARG A 15 -4.250 14.684 -8.705 1.00 1.11 H new ATOM 0 HH12 ARG A 15 -4.955 14.502 -7.095 1.00 1.11 H new ATOM 0 HH21 ARG A 15 -3.062 17.114 -5.673 1.00 4.34 H new ATOM 0 HH22 ARG A 15 -4.285 15.872 -5.387 1.00 4.34 H new ATOM 222 N SER A 16 -0.424 19.139 -6.765 1.00 60.14 N ATOM 223 CA SER A 16 -1.182 19.534 -5.584 1.00 2.21 C ATOM 224 C SER A 16 -1.420 21.041 -5.571 1.00 11.15 C ATOM 225 O SER A 16 -2.523 21.503 -5.278 1.00 54.21 O ATOM 226 CB SER A 16 -0.442 19.112 -4.313 1.00 14.01 C ATOM 227 OG SER A 16 -1.312 19.109 -3.194 1.00 0.50 O ATOM 0 H SER A 16 0.493 18.741 -6.564 1.00 60.14 H new ATOM 0 HA SER A 16 -2.149 19.031 -5.617 1.00 2.21 H new ATOM 0 HB2 SER A 16 -0.016 18.118 -4.449 1.00 14.01 H new ATOM 0 HB3 SER A 16 0.389 19.793 -4.129 1.00 14.01 H new ATOM 0 HG SER A 16 -0.816 18.835 -2.395 1.00 0.50 H new ATOM 233 N ILE A 17 -0.378 21.801 -5.889 1.00 1.31 N ATOM 234 CA ILE A 17 -0.473 23.256 -5.915 1.00 33.53 C ATOM 235 C ILE A 17 -1.471 23.722 -6.969 1.00 13.40 C ATOM 236 O ILE A 17 -2.401 24.471 -6.669 1.00 14.50 O ATOM 237 CB ILE A 17 0.895 23.905 -6.196 1.00 33.41 C ATOM 238 CG1 ILE A 17 1.896 23.531 -5.101 1.00 31.41 C ATOM 239 CG2 ILE A 17 0.753 25.416 -6.298 1.00 20.10 C ATOM 240 CD1 ILE A 17 3.198 22.976 -5.636 1.00 54.31 C ATOM 0 H ILE A 17 0.542 21.434 -6.132 1.00 1.31 H new ATOM 0 HA ILE A 17 -0.817 23.568 -4.929 1.00 33.53 H new ATOM 0 HB ILE A 17 1.270 23.530 -7.148 1.00 33.41 H new ATOM 0 HG12 ILE A 17 2.108 24.413 -4.497 1.00 31.41 H new ATOM 0 HG13 ILE A 17 1.440 22.794 -4.440 1.00 31.41 H new ATOM 0 HG21 ILE A 17 1.728 25.860 -6.497 1.00 20.10 H new ATOM 0 HG22 ILE A 17 0.069 25.663 -7.110 1.00 20.10 H new ATOM 0 HG23 ILE A 17 0.360 25.809 -5.360 1.00 20.10 H new ATOM 0 HD11 ILE A 17 3.859 22.733 -4.804 1.00 54.31 H new ATOM 0 HD12 ILE A 17 2.998 22.075 -6.216 1.00 54.31 H new ATOM 0 HD13 ILE A 17 3.676 23.720 -6.274 1.00 54.31 H new ATOM 252 N ILE A 18 -1.272 23.273 -8.204 1.00 15.54 N ATOM 253 CA ILE A 18 -2.157 23.643 -9.302 1.00 22.11 C ATOM 254 C ILE A 18 -3.555 23.070 -9.098 1.00 71.33 C ATOM 255 O ILE A 18 -4.548 23.663 -9.520 1.00 2.24 O ATOM 256 CB ILE A 18 -1.607 23.156 -10.656 1.00 2.34 C ATOM 257 CG1 ILE A 18 -1.459 21.633 -10.653 1.00 4.41 C ATOM 258 CG2 ILE A 18 -0.273 23.823 -10.956 1.00 2.21 C ATOM 259 CD1 ILE A 18 -0.849 21.083 -11.923 1.00 52.44 C ATOM 0 H ILE A 18 -0.507 22.653 -8.469 1.00 15.54 H new ATOM 0 HA ILE A 18 -2.211 24.732 -9.311 1.00 22.11 H new ATOM 0 HB ILE A 18 -2.313 23.432 -11.439 1.00 2.34 H new ATOM 0 HG12 ILE A 18 -0.841 21.338 -9.805 1.00 4.41 H new ATOM 0 HG13 ILE A 18 -2.440 21.181 -10.505 1.00 4.41 H new ATOM 0 HG21 ILE A 18 0.103 23.469 -11.916 1.00 2.21 H new ATOM 0 HG22 ILE A 18 -0.407 24.904 -10.995 1.00 2.21 H new ATOM 0 HG23 ILE A 18 0.442 23.575 -10.172 1.00 2.21 H new ATOM 0 HD11 ILE A 18 -0.774 19.998 -11.851 1.00 52.44 H new ATOM 0 HD12 ILE A 18 -1.478 21.347 -12.773 1.00 52.44 H new ATOM 0 HD13 ILE A 18 0.146 21.507 -12.062 1.00 52.44 H new ATOM 271 N SER A 19 -3.626 21.913 -8.448 1.00 24.40 N ATOM 272 CA SER A 19 -4.902 21.257 -8.190 1.00 14.44 C ATOM 273 C SER A 19 -5.907 22.240 -7.596 1.00 10.30 C ATOM 274 O SER A 19 -7.115 22.091 -7.773 1.00 55.34 O ATOM 275 CB SER A 19 -4.709 20.073 -7.241 1.00 31.11 C ATOM 276 OG SER A 19 -4.759 18.843 -7.944 1.00 11.33 O ATOM 0 H SER A 19 -2.814 21.410 -8.090 1.00 24.40 H new ATOM 0 HA SER A 19 -5.293 20.892 -9.140 1.00 14.44 H new ATOM 0 HB2 SER A 19 -3.751 20.165 -6.730 1.00 31.11 H new ATOM 0 HB3 SER A 19 -5.482 20.088 -6.473 1.00 31.11 H new ATOM 0 HG SER A 19 -5.459 18.886 -8.629 1.00 11.33 H new ATOM 282 N GLU A 20 -5.397 23.245 -6.890 1.00 64.25 N ATOM 283 CA GLU A 20 -6.249 24.252 -6.270 1.00 30.03 C ATOM 284 C GLU A 20 -7.162 24.905 -7.304 1.00 21.51 C ATOM 285 O GLU A 20 -8.385 24.881 -7.169 1.00 61.22 O ATOM 286 CB GLU A 20 -5.396 25.319 -5.580 1.00 53.23 C ATOM 287 CG GLU A 20 -6.193 26.244 -4.675 1.00 70.14 C ATOM 288 CD GLU A 20 -5.363 27.395 -4.141 1.00 22.31 C ATOM 289 OE1 GLU A 20 -5.172 28.383 -4.880 1.00 64.31 O ATOM 290 OE2 GLU A 20 -4.904 27.307 -2.982 1.00 75.24 O ATOM 0 H GLU A 20 -4.399 23.383 -6.734 1.00 64.25 H new ATOM 0 HA GLU A 20 -6.870 23.756 -5.525 1.00 30.03 H new ATOM 0 HB2 GLU A 20 -4.621 24.828 -4.992 1.00 53.23 H new ATOM 0 HB3 GLU A 20 -4.890 25.915 -6.340 1.00 53.23 H new ATOM 0 HG2 GLU A 20 -7.045 26.641 -5.227 1.00 70.14 H new ATOM 0 HG3 GLU A 20 -6.594 25.671 -3.839 1.00 70.14 H new ATOM 297 N GLN A 21 -6.557 25.487 -8.335 1.00 35.54 N ATOM 298 CA GLN A 21 -7.316 26.147 -9.391 1.00 24.32 C ATOM 299 C GLN A 21 -7.689 25.159 -10.491 1.00 52.24 C ATOM 300 O GLN A 21 -8.834 25.122 -10.944 1.00 51.03 O ATOM 301 CB GLN A 21 -6.508 27.304 -9.980 1.00 43.14 C ATOM 302 CG GLN A 21 -6.107 28.351 -8.954 1.00 1.30 C ATOM 303 CD GLN A 21 -7.302 28.986 -8.270 1.00 70.32 C ATOM 304 OE1 GLN A 21 -7.889 28.406 -7.356 1.00 5.13 O ATOM 305 NE2 GLN A 21 -7.670 30.183 -8.711 1.00 2.11 N ATOM 0 H GLN A 21 -5.545 25.515 -8.461 1.00 35.54 H new ATOM 0 HA GLN A 21 -8.234 26.540 -8.954 1.00 24.32 H new ATOM 0 HB2 GLN A 21 -5.609 26.906 -10.451 1.00 43.14 H new ATOM 0 HB3 GLN A 21 -7.094 27.782 -10.765 1.00 43.14 H new ATOM 0 HG2 GLN A 21 -5.465 27.891 -8.203 1.00 1.30 H new ATOM 0 HG3 GLN A 21 -5.519 29.127 -9.443 1.00 1.30 H new ATOM 0 HE21 GLN A 21 -7.155 30.627 -9.471 1.00 2.11 H new ATOM 0 HE22 GLN A 21 -8.468 30.659 -8.290 1.00 2.11 H new ATOM 314 N LEU A 22 -6.717 24.361 -10.918 1.00 21.11 N ATOM 315 CA LEU A 22 -6.943 23.372 -11.967 1.00 13.35 C ATOM 316 C LEU A 22 -8.003 22.361 -11.541 1.00 63.54 C ATOM 317 O LEU A 22 -8.761 21.856 -12.370 1.00 30.24 O ATOM 318 CB LEU A 22 -5.638 22.650 -12.304 1.00 60.20 C ATOM 319 CG LEU A 22 -4.707 23.367 -13.282 1.00 52.33 C ATOM 320 CD1 LEU A 22 -4.311 24.732 -12.739 1.00 73.42 C ATOM 321 CD2 LEU A 22 -3.472 22.523 -13.560 1.00 71.11 C ATOM 0 H LEU A 22 -5.764 24.379 -10.554 1.00 21.11 H new ATOM 0 HA LEU A 22 -7.301 23.894 -12.855 1.00 13.35 H new ATOM 0 HB2 LEU A 22 -5.093 22.475 -11.376 1.00 60.20 H new ATOM 0 HB3 LEU A 22 -5.884 21.672 -12.718 1.00 60.20 H new ATOM 0 HG LEU A 22 -5.241 23.513 -14.221 1.00 52.33 H new ATOM 0 HD11 LEU A 22 -3.648 25.228 -13.448 1.00 73.42 H new ATOM 0 HD12 LEU A 22 -5.205 25.339 -12.593 1.00 73.42 H new ATOM 0 HD13 LEU A 22 -3.796 24.609 -11.786 1.00 73.42 H new ATOM 0 HD21 LEU A 22 -2.821 23.049 -14.258 1.00 71.11 H new ATOM 0 HD22 LEU A 22 -2.936 22.345 -12.628 1.00 71.11 H new ATOM 0 HD23 LEU A 22 -3.773 21.569 -13.993 1.00 71.11 H new ATOM 333 N ASP A 23 -8.050 22.071 -10.246 1.00 31.41 N ATOM 334 CA ASP A 23 -9.019 21.122 -9.710 1.00 21.52 C ATOM 335 C ASP A 23 -8.992 19.815 -10.496 1.00 61.33 C ATOM 336 O ASP A 23 -10.013 19.141 -10.637 1.00 64.20 O ATOM 337 CB ASP A 23 -10.425 21.722 -9.743 1.00 11.13 C ATOM 338 CG ASP A 23 -11.373 21.030 -8.783 1.00 61.11 C ATOM 339 OD1 ASP A 23 -10.918 20.132 -8.043 1.00 41.42 O ATOM 340 OD2 ASP A 23 -12.569 21.386 -8.771 1.00 55.42 O ATOM 0 H ASP A 23 -7.429 22.479 -9.548 1.00 31.41 H new ATOM 0 HA ASP A 23 -8.748 20.909 -8.676 1.00 21.52 H new ATOM 0 HB2 ASP A 23 -10.370 22.782 -9.494 1.00 11.13 H new ATOM 0 HB3 ASP A 23 -10.823 21.652 -10.755 1.00 11.13 H new ATOM 345 N LYS A 24 -7.817 19.462 -11.008 1.00 55.42 N ATOM 346 CA LYS A 24 -7.656 18.236 -11.781 1.00 1.42 C ATOM 347 C LYS A 24 -6.739 17.255 -11.058 1.00 34.41 C ATOM 348 O LYS A 24 -6.035 17.623 -10.118 1.00 10.42 O ATOM 349 CB LYS A 24 -7.089 18.554 -13.167 1.00 34.53 C ATOM 350 CG LYS A 24 -5.614 18.915 -13.153 1.00 32.33 C ATOM 351 CD LYS A 24 -5.114 19.270 -14.543 1.00 22.42 C ATOM 352 CE LYS A 24 -3.600 19.151 -14.638 1.00 34.43 C ATOM 353 NZ LYS A 24 -3.144 17.741 -14.486 1.00 53.10 N ATOM 0 H LYS A 24 -6.962 20.008 -10.901 1.00 55.42 H new ATOM 0 HA LYS A 24 -8.637 17.774 -11.894 1.00 1.42 H new ATOM 0 HB2 LYS A 24 -7.237 17.692 -13.817 1.00 34.53 H new ATOM 0 HB3 LYS A 24 -7.653 19.381 -13.600 1.00 34.53 H new ATOM 0 HG2 LYS A 24 -5.451 19.757 -12.481 1.00 32.33 H new ATOM 0 HG3 LYS A 24 -5.037 18.077 -12.761 1.00 32.33 H new ATOM 0 HD2 LYS A 24 -5.579 18.612 -15.277 1.00 22.42 H new ATOM 0 HD3 LYS A 24 -5.416 20.287 -14.791 1.00 22.42 H new ATOM 0 HE2 LYS A 24 -3.265 19.539 -15.600 1.00 34.43 H new ATOM 0 HE3 LYS A 24 -3.138 19.767 -13.867 1.00 34.43 H new ATOM 0 HZ1 LYS A 24 -2.485 17.674 -13.685 1.00 53.10 H new ATOM 0 HZ2 LYS A 24 -3.965 17.127 -14.311 1.00 53.10 H new ATOM 0 HZ3 LYS A 24 -2.663 17.436 -15.356 1.00 53.10 H new ATOM 367 N LYS A 25 -6.752 16.003 -11.503 1.00 70.22 N ATOM 368 CA LYS A 25 -5.920 14.968 -10.901 1.00 72.42 C ATOM 369 C LYS A 25 -4.717 14.654 -11.785 1.00 10.22 C ATOM 370 O LYS A 25 -4.694 15.006 -12.964 1.00 22.52 O ATOM 371 CB LYS A 25 -6.740 13.697 -10.669 1.00 34.43 C ATOM 372 CG LYS A 25 -7.473 13.680 -9.338 1.00 44.20 C ATOM 373 CD LYS A 25 -8.707 14.565 -9.370 1.00 13.40 C ATOM 374 CE LYS A 25 -9.819 13.942 -10.201 1.00 5.22 C ATOM 375 NZ LYS A 25 -10.251 12.627 -9.652 1.00 4.13 N ATOM 0 H LYS A 25 -7.330 15.680 -12.279 1.00 70.22 H new ATOM 0 HA LYS A 25 -5.558 15.340 -9.943 1.00 72.42 H new ATOM 0 HB2 LYS A 25 -7.466 13.591 -11.475 1.00 34.43 H new ATOM 0 HB3 LYS A 25 -6.078 12.833 -10.720 1.00 34.43 H new ATOM 0 HG2 LYS A 25 -7.763 12.658 -9.095 1.00 44.20 H new ATOM 0 HG3 LYS A 25 -6.802 14.018 -8.548 1.00 44.20 H new ATOM 0 HD2 LYS A 25 -9.062 14.733 -8.353 1.00 13.40 H new ATOM 0 HD3 LYS A 25 -8.446 15.540 -9.782 1.00 13.40 H new ATOM 0 HE2 LYS A 25 -10.672 14.620 -10.233 1.00 5.22 H new ATOM 0 HE3 LYS A 25 -9.476 13.812 -11.227 1.00 5.22 H new ATOM 0 HZ1 LYS A 25 -11.199 12.395 -10.012 1.00 4.13 H new ATOM 0 HZ2 LYS A 25 -9.579 11.890 -9.946 1.00 4.13 H new ATOM 0 HZ3 LYS A 25 -10.278 12.676 -8.614 1.00 4.13 H new ATOM 389 N GLU A 26 -3.721 13.990 -11.207 1.00 2.32 N ATOM 390 CA GLU A 26 -2.515 13.630 -11.943 1.00 72.45 C ATOM 391 C GLU A 26 -2.832 12.625 -13.047 1.00 73.14 C ATOM 392 O GLU A 26 -2.034 12.418 -13.961 1.00 63.12 O ATOM 393 CB GLU A 26 -1.466 13.047 -10.994 1.00 60.24 C ATOM 394 CG GLU A 26 -1.976 11.879 -10.166 1.00 41.52 C ATOM 395 CD GLU A 26 -1.596 10.535 -10.757 1.00 13.44 C ATOM 396 OE1 GLU A 26 -1.184 10.499 -11.935 1.00 12.32 O ATOM 397 OE2 GLU A 26 -1.711 9.519 -10.040 1.00 13.35 O ATOM 0 H GLU A 26 -3.726 13.691 -10.232 1.00 2.32 H new ATOM 0 HA GLU A 26 -2.116 14.535 -12.402 1.00 72.45 H new ATOM 0 HB2 GLU A 26 -0.604 12.720 -11.576 1.00 60.24 H new ATOM 0 HB3 GLU A 26 -1.119 13.833 -10.323 1.00 60.24 H new ATOM 0 HG2 GLU A 26 -1.576 11.953 -9.155 1.00 41.52 H new ATOM 0 HG3 GLU A 26 -3.061 11.942 -10.085 1.00 41.52 H new ATOM 404 N ASP A 27 -4.003 12.004 -12.955 1.00 62.41 N ATOM 405 CA ASP A 27 -4.427 11.021 -13.945 1.00 61.34 C ATOM 406 C ASP A 27 -4.698 11.687 -15.291 1.00 20.12 C ATOM 407 O ASP A 27 -4.908 11.011 -16.297 1.00 72.21 O ATOM 408 CB ASP A 27 -5.680 10.288 -13.464 1.00 22.43 C ATOM 409 CG ASP A 27 -5.853 8.937 -14.131 1.00 1.24 C ATOM 410 OD1 ASP A 27 -5.213 7.966 -13.678 1.00 23.25 O ATOM 411 OD2 ASP A 27 -6.628 8.852 -15.106 1.00 71.04 O ATOM 0 H ASP A 27 -4.675 12.164 -12.205 1.00 62.41 H new ATOM 0 HA ASP A 27 -3.620 10.300 -14.072 1.00 61.34 H new ATOM 0 HB2 ASP A 27 -5.626 10.152 -12.384 1.00 22.43 H new ATOM 0 HB3 ASP A 27 -6.557 10.904 -13.664 1.00 22.43 H new ATOM 416 N GLU A 28 -4.692 13.016 -15.299 1.00 54.20 N ATOM 417 CA GLU A 28 -4.940 13.773 -16.521 1.00 22.13 C ATOM 418 C GLU A 28 -3.719 13.743 -17.436 1.00 31.30 C ATOM 419 O GLU A 28 -3.814 14.049 -18.625 1.00 11.01 O ATOM 420 CB GLU A 28 -5.304 15.221 -16.185 1.00 63.24 C ATOM 421 CG GLU A 28 -6.782 15.427 -15.902 1.00 72.23 C ATOM 422 CD GLU A 28 -7.387 14.290 -15.101 1.00 3.31 C ATOM 423 OE1 GLU A 28 -7.087 14.190 -13.893 1.00 11.31 O ATOM 424 OE2 GLU A 28 -8.160 13.501 -15.683 1.00 31.23 O ATOM 0 H GLU A 28 -4.518 13.591 -14.474 1.00 54.20 H new ATOM 0 HA GLU A 28 -5.776 13.308 -17.043 1.00 22.13 H new ATOM 0 HB2 GLU A 28 -4.729 15.539 -15.316 1.00 63.24 H new ATOM 0 HB3 GLU A 28 -5.009 15.863 -17.015 1.00 63.24 H new ATOM 0 HG2 GLU A 28 -6.917 16.362 -15.358 1.00 72.23 H new ATOM 0 HG3 GLU A 28 -7.318 15.527 -16.846 1.00 72.23 H new ATOM 431 N ILE A 29 -2.574 13.372 -16.873 1.00 70.01 N ATOM 432 CA ILE A 29 -1.335 13.301 -17.638 1.00 12.21 C ATOM 433 C ILE A 29 -1.521 12.482 -18.910 1.00 63.43 C ATOM 434 O ILE A 29 -1.596 11.253 -18.866 1.00 51.21 O ATOM 435 CB ILE A 29 -0.194 12.686 -16.806 1.00 75.20 C ATOM 436 CG1 ILE A 29 0.176 13.611 -15.645 1.00 44.34 C ATOM 437 CG2 ILE A 29 1.018 12.418 -17.686 1.00 13.44 C ATOM 438 CD1 ILE A 29 0.808 14.912 -16.088 1.00 44.33 C ATOM 0 H ILE A 29 -2.479 13.116 -15.890 1.00 70.01 H new ATOM 0 HA ILE A 29 -1.069 14.324 -17.903 1.00 12.21 H new ATOM 0 HB ILE A 29 -0.535 11.737 -16.394 1.00 75.20 H new ATOM 0 HG12 ILE A 29 -0.721 13.831 -15.066 1.00 44.34 H new ATOM 0 HG13 ILE A 29 0.865 13.089 -14.981 1.00 44.34 H new ATOM 0 HG21 ILE A 29 1.816 11.984 -17.084 1.00 13.44 H new ATOM 0 HG22 ILE A 29 0.744 11.724 -18.481 1.00 13.44 H new ATOM 0 HG23 ILE A 29 1.363 13.354 -18.125 1.00 13.44 H new ATOM 0 HD11 ILE A 29 1.044 15.518 -15.213 1.00 44.33 H new ATOM 0 HD12 ILE A 29 1.723 14.702 -16.642 1.00 44.33 H new ATOM 0 HD13 ILE A 29 0.113 15.455 -16.728 1.00 44.33 H new ATOM 450 N THR A 30 -1.592 13.170 -20.046 1.00 31.52 N ATOM 451 CA THR A 30 -1.768 12.506 -21.332 1.00 1.25 C ATOM 452 C THR A 30 -1.487 13.461 -22.486 1.00 12.31 C ATOM 453 O THR A 30 -1.298 14.661 -22.282 1.00 12.04 O ATOM 454 CB THR A 30 -3.193 11.942 -21.482 1.00 72.22 C ATOM 455 OG1 THR A 30 -3.281 11.144 -22.668 1.00 33.20 O ATOM 456 CG2 THR A 30 -4.217 13.066 -21.544 1.00 24.41 C ATOM 0 H THR A 30 -1.530 14.187 -20.101 1.00 31.52 H new ATOM 0 HA THR A 30 -1.054 11.683 -21.364 1.00 1.25 H new ATOM 0 HB THR A 30 -3.409 11.323 -20.611 1.00 72.22 H new ATOM 0 HG1 THR A 30 -4.190 10.787 -22.756 1.00 33.20 H new ATOM 0 HG21 THR A 30 -5.216 12.643 -21.650 1.00 24.41 H new ATOM 0 HG22 THR A 30 -4.168 13.654 -20.628 1.00 24.41 H new ATOM 0 HG23 THR A 30 -4.002 13.707 -22.399 1.00 24.41 H new ATOM 464 N THR A 31 -1.462 12.922 -23.701 1.00 44.51 N ATOM 465 CA THR A 31 -1.203 13.727 -24.889 1.00 34.14 C ATOM 466 C THR A 31 -2.460 14.465 -25.336 1.00 62.05 C ATOM 467 O THR A 31 -2.406 15.326 -26.215 1.00 64.42 O ATOM 468 CB THR A 31 -0.688 12.860 -26.053 1.00 52.31 C ATOM 469 OG1 THR A 31 -1.728 11.989 -26.513 1.00 4.14 O ATOM 470 CG2 THR A 31 0.517 12.038 -25.623 1.00 60.44 C ATOM 0 H THR A 31 -1.618 11.932 -23.888 1.00 44.51 H new ATOM 0 HA THR A 31 -0.435 14.452 -24.620 1.00 34.14 H new ATOM 0 HB THR A 31 -0.385 13.522 -26.864 1.00 52.31 H new ATOM 0 HG1 THR A 31 -1.393 11.442 -27.254 1.00 4.14 H new ATOM 0 HG21 THR A 31 0.863 11.434 -26.462 1.00 60.44 H new ATOM 0 HG22 THR A 31 1.317 12.705 -25.302 1.00 60.44 H new ATOM 0 HG23 THR A 31 0.236 11.385 -24.797 1.00 60.44 H new ATOM 478 N ASP A 32 -3.590 14.124 -24.727 1.00 23.40 N ATOM 479 CA ASP A 32 -4.860 14.756 -25.062 1.00 74.31 C ATOM 480 C ASP A 32 -5.195 15.864 -24.069 1.00 3.13 C ATOM 481 O ASP A 32 -6.363 16.185 -23.852 1.00 10.41 O ATOM 482 CB ASP A 32 -5.982 13.716 -25.082 1.00 10.12 C ATOM 483 CG ASP A 32 -7.249 14.243 -25.726 1.00 41.35 C ATOM 484 OD1 ASP A 32 -7.143 14.970 -26.737 1.00 2.02 O ATOM 485 OD2 ASP A 32 -8.346 13.929 -25.221 1.00 74.42 O ATOM 0 H ASP A 32 -3.652 13.413 -23.998 1.00 23.40 H new ATOM 0 HA ASP A 32 -4.767 15.198 -26.054 1.00 74.31 H new ATOM 0 HB2 ASP A 32 -5.644 12.832 -25.622 1.00 10.12 H new ATOM 0 HB3 ASP A 32 -6.200 13.402 -24.061 1.00 10.12 H new ATOM 490 N SER A 33 -4.161 16.444 -23.467 1.00 51.10 N ATOM 491 CA SER A 33 -4.345 17.513 -22.493 1.00 12.34 C ATOM 492 C SER A 33 -3.545 18.751 -22.887 1.00 12.13 C ATOM 493 O SER A 33 -4.095 19.846 -23.008 1.00 43.11 O ATOM 494 CB SER A 33 -3.923 17.041 -21.100 1.00 40.10 C ATOM 495 OG SER A 33 -4.819 16.064 -20.600 1.00 23.25 O ATOM 0 H SER A 33 -3.188 16.191 -23.637 1.00 51.10 H new ATOM 0 HA SER A 33 -5.403 17.776 -22.475 1.00 12.34 H new ATOM 0 HB2 SER A 33 -2.915 16.627 -21.142 1.00 40.10 H new ATOM 0 HB3 SER A 33 -3.890 17.891 -20.419 1.00 40.10 H new ATOM 0 HG SER A 33 -4.398 15.583 -19.857 1.00 23.25 H new ATOM 501 N ARG A 34 -2.244 18.568 -23.085 1.00 2.42 N ATOM 502 CA ARG A 34 -1.367 19.670 -23.464 1.00 23.42 C ATOM 503 C ARG A 34 -1.398 20.776 -22.413 1.00 72.05 C ATOM 504 O ARG A 34 -2.084 20.663 -21.397 1.00 73.45 O ATOM 505 CB ARG A 34 -1.779 20.232 -24.825 1.00 44.44 C ATOM 506 CG ARG A 34 -1.463 19.306 -25.988 1.00 73.31 C ATOM 507 CD ARG A 34 -0.017 19.447 -26.437 1.00 31.25 C ATOM 508 NE ARG A 34 0.194 20.652 -27.235 1.00 35.44 N ATOM 509 CZ ARG A 34 1.340 20.941 -27.840 1.00 0.23 C ATOM 510 NH1 ARG A 34 2.374 20.117 -27.738 1.00 74.03 N ATOM 511 NH2 ARG A 34 1.454 22.057 -28.548 1.00 42.14 N ATOM 0 H ARG A 34 -1.774 17.668 -22.989 1.00 2.42 H new ATOM 0 HA ARG A 34 -0.349 19.285 -23.531 1.00 23.42 H new ATOM 0 HB2 ARG A 34 -2.850 20.436 -24.815 1.00 44.44 H new ATOM 0 HB3 ARG A 34 -1.274 21.185 -24.983 1.00 44.44 H new ATOM 0 HG2 ARG A 34 -1.655 18.274 -25.695 1.00 73.31 H new ATOM 0 HG3 ARG A 34 -2.127 19.529 -26.823 1.00 73.31 H new ATOM 0 HD2 ARG A 34 0.633 19.473 -25.562 1.00 31.25 H new ATOM 0 HD3 ARG A 34 0.268 18.572 -27.020 1.00 31.25 H new ATOM 0 HE ARG A 34 -0.581 21.307 -27.333 1.00 35.44 H new ATOM 0 HH11 ARG A 34 2.290 19.258 -27.194 1.00 74.03 H new ATOM 0 HH12 ARG A 34 3.253 20.342 -28.204 1.00 74.03 H new ATOM 0 HH21 ARG A 34 0.661 22.694 -28.628 1.00 42.14 H new ATOM 0 HH22 ARG A 34 2.335 22.279 -29.013 1.00 42.14 H new ATOM 525 N PHE A 35 -0.650 21.845 -22.665 1.00 55.34 N ATOM 526 CA PHE A 35 -0.591 22.972 -21.741 1.00 73.22 C ATOM 527 C PHE A 35 -1.949 23.659 -21.634 1.00 54.20 C ATOM 528 O PHE A 35 -2.317 24.172 -20.577 1.00 4.12 O ATOM 529 CB PHE A 35 0.468 23.978 -22.197 1.00 74.21 C ATOM 530 CG PHE A 35 1.836 23.378 -22.353 1.00 51.43 C ATOM 531 CD1 PHE A 35 2.418 22.669 -21.316 1.00 23.44 C ATOM 532 CD2 PHE A 35 2.539 23.524 -23.538 1.00 5.31 C ATOM 533 CE1 PHE A 35 3.678 22.117 -21.457 1.00 34.24 C ATOM 534 CE2 PHE A 35 3.799 22.974 -23.685 1.00 1.31 C ATOM 535 CZ PHE A 35 4.368 22.269 -22.643 1.00 63.21 C ATOM 0 H PHE A 35 -0.076 21.955 -23.501 1.00 55.34 H new ATOM 0 HA PHE A 35 -0.319 22.589 -20.757 1.00 73.22 H new ATOM 0 HB2 PHE A 35 0.160 24.412 -23.148 1.00 74.21 H new ATOM 0 HB3 PHE A 35 0.518 24.794 -21.475 1.00 74.21 H new ATOM 0 HD1 PHE A 35 1.882 22.546 -20.387 1.00 23.44 H new ATOM 0 HD2 PHE A 35 2.098 24.074 -24.356 1.00 5.31 H new ATOM 0 HE1 PHE A 35 4.122 21.567 -20.640 1.00 34.24 H new ATOM 0 HE2 PHE A 35 4.337 23.096 -24.613 1.00 1.31 H new ATOM 0 HZ PHE A 35 5.351 21.837 -22.756 1.00 63.21 H new ATOM 545 N VAL A 36 -2.691 23.666 -22.737 1.00 52.00 N ATOM 546 CA VAL A 36 -4.009 24.289 -22.768 1.00 41.53 C ATOM 547 C VAL A 36 -4.922 23.697 -21.701 1.00 54.41 C ATOM 548 O VAL A 36 -5.553 24.427 -20.937 1.00 33.43 O ATOM 549 CB VAL A 36 -4.675 24.125 -24.147 1.00 41.14 C ATOM 550 CG1 VAL A 36 -4.003 25.023 -25.175 1.00 60.54 C ATOM 551 CG2 VAL A 36 -4.633 22.670 -24.589 1.00 3.01 C ATOM 0 H VAL A 36 -2.402 23.247 -23.621 1.00 52.00 H new ATOM 0 HA VAL A 36 -3.862 25.350 -22.568 1.00 41.53 H new ATOM 0 HB VAL A 36 -5.719 24.426 -24.065 1.00 41.14 H new ATOM 0 HG11 VAL A 36 -4.487 24.893 -26.143 1.00 60.54 H new ATOM 0 HG12 VAL A 36 -4.091 26.063 -24.862 1.00 60.54 H new ATOM 0 HG13 VAL A 36 -2.949 24.756 -25.258 1.00 60.54 H new ATOM 0 HG21 VAL A 36 -5.108 22.572 -25.565 1.00 3.01 H new ATOM 0 HG22 VAL A 36 -3.596 22.340 -24.655 1.00 3.01 H new ATOM 0 HG23 VAL A 36 -5.165 22.054 -23.864 1.00 3.01 H new ATOM 561 N GLU A 37 -4.988 22.370 -21.655 1.00 45.43 N ATOM 562 CA GLU A 37 -5.825 21.680 -20.681 1.00 41.51 C ATOM 563 C GLU A 37 -5.096 21.527 -19.349 1.00 72.12 C ATOM 564 O GLU A 37 -5.577 21.980 -18.310 1.00 51.14 O ATOM 565 CB GLU A 37 -6.236 20.305 -21.212 1.00 1.44 C ATOM 566 CG GLU A 37 -7.581 19.829 -20.691 1.00 15.34 C ATOM 567 CD GLU A 37 -8.701 20.808 -20.987 1.00 73.44 C ATOM 568 OE1 GLU A 37 -8.724 21.363 -22.106 1.00 33.43 O ATOM 569 OE2 GLU A 37 -9.555 21.018 -20.101 1.00 32.25 O ATOM 0 H GLU A 37 -4.472 21.752 -22.281 1.00 45.43 H new ATOM 0 HA GLU A 37 -6.720 22.281 -20.518 1.00 41.51 H new ATOM 0 HB2 GLU A 37 -6.270 20.340 -22.301 1.00 1.44 H new ATOM 0 HB3 GLU A 37 -5.472 19.577 -20.940 1.00 1.44 H new ATOM 0 HG2 GLU A 37 -7.819 18.864 -21.139 1.00 15.34 H new ATOM 0 HG3 GLU A 37 -7.515 19.673 -19.614 1.00 15.34 H new ATOM 576 N ASP A 38 -3.934 20.884 -19.388 1.00 51.52 N ATOM 577 CA ASP A 38 -3.138 20.671 -18.185 1.00 62.23 C ATOM 578 C ASP A 38 -2.758 22.001 -17.542 1.00 24.30 C ATOM 579 O ASP A 38 -3.179 22.305 -16.425 1.00 52.54 O ATOM 580 CB ASP A 38 -1.877 19.872 -18.518 1.00 44.01 C ATOM 581 CG ASP A 38 -1.126 19.431 -17.277 1.00 34.23 C ATOM 582 OD1 ASP A 38 -0.250 20.189 -16.813 1.00 3.31 O ATOM 583 OD2 ASP A 38 -1.415 18.327 -16.769 1.00 74.45 O ATOM 0 H ASP A 38 -3.523 20.501 -20.239 1.00 51.52 H new ATOM 0 HA ASP A 38 -3.741 20.105 -17.475 1.00 62.23 H new ATOM 0 HB2 ASP A 38 -2.151 18.995 -19.104 1.00 44.01 H new ATOM 0 HB3 ASP A 38 -1.220 20.479 -19.140 1.00 44.01 H new ATOM 588 N LEU A 39 -1.958 22.788 -18.252 1.00 40.44 N ATOM 589 CA LEU A 39 -1.519 24.086 -17.751 1.00 14.14 C ATOM 590 C LEU A 39 -2.642 25.114 -17.845 1.00 52.32 C ATOM 591 O LEU A 39 -3.681 24.859 -18.452 1.00 73.10 O ATOM 592 CB LEU A 39 -0.300 24.573 -18.535 1.00 24.41 C ATOM 593 CG LEU A 39 0.895 25.036 -17.700 1.00 34.55 C ATOM 594 CD1 LEU A 39 2.179 24.398 -18.205 1.00 62.15 C ATOM 595 CD2 LEU A 39 1.005 26.553 -17.722 1.00 42.15 C ATOM 0 H LEU A 39 -1.600 22.550 -19.177 1.00 40.44 H new ATOM 0 HA LEU A 39 -1.245 23.969 -16.703 1.00 14.14 H new ATOM 0 HB2 LEU A 39 0.031 23.767 -19.190 1.00 24.41 H new ATOM 0 HB3 LEU A 39 -0.611 25.398 -19.176 1.00 24.41 H new ATOM 0 HG LEU A 39 0.738 24.719 -16.669 1.00 34.55 H new ATOM 0 HD11 LEU A 39 3.018 24.739 -17.599 1.00 62.15 H new ATOM 0 HD12 LEU A 39 2.098 23.313 -18.135 1.00 62.15 H new ATOM 0 HD13 LEU A 39 2.343 24.683 -19.244 1.00 62.15 H new ATOM 0 HD21 LEU A 39 1.861 26.864 -17.123 1.00 42.15 H new ATOM 0 HD22 LEU A 39 1.138 26.893 -18.749 1.00 42.15 H new ATOM 0 HD23 LEU A 39 0.095 26.990 -17.310 1.00 42.15 H new ATOM 607 N ASN A 40 -2.424 26.278 -17.242 1.00 41.53 N ATOM 608 CA ASN A 40 -3.417 27.346 -17.260 1.00 41.50 C ATOM 609 C ASN A 40 -3.005 28.456 -18.223 1.00 75.12 C ATOM 610 O ASN A 40 -3.263 29.633 -17.976 1.00 53.51 O ATOM 611 CB ASN A 40 -3.605 27.920 -15.854 1.00 64.01 C ATOM 612 CG ASN A 40 -2.290 28.087 -15.117 1.00 44.04 C ATOM 613 OD1 ASN A 40 -1.292 28.518 -15.696 1.00 1.35 O ATOM 614 ND2 ASN A 40 -2.283 27.745 -13.834 1.00 62.13 N ATOM 0 H ASN A 40 -1.569 26.506 -16.735 1.00 41.53 H new ATOM 0 HA ASN A 40 -4.362 26.924 -17.602 1.00 41.50 H new ATOM 0 HB2 ASN A 40 -4.105 28.886 -15.923 1.00 64.01 H new ATOM 0 HB3 ASN A 40 -4.259 27.263 -15.281 1.00 64.01 H new ATOM 0 HD21 ASN A 40 -1.427 27.835 -13.287 1.00 62.13 H new ATOM 0 HD22 ASN A 40 -3.134 27.392 -13.396 1.00 62.13 H new ATOM 621 N ALA A 41 -2.365 28.071 -19.322 1.00 22.40 N ATOM 622 CA ALA A 41 -1.920 29.032 -20.324 1.00 31.44 C ATOM 623 C ALA A 41 -1.651 28.347 -21.660 1.00 12.44 C ATOM 624 O ALA A 41 -1.924 27.158 -21.825 1.00 1.32 O ATOM 625 CB ALA A 41 -0.674 29.759 -19.841 1.00 20.14 C ATOM 0 H ALA A 41 -2.143 27.100 -19.541 1.00 22.40 H new ATOM 0 HA ALA A 41 -2.717 29.760 -20.473 1.00 31.44 H new ATOM 0 HB1 ALA A 41 -0.353 30.473 -20.599 1.00 20.14 H new ATOM 0 HB2 ALA A 41 -0.898 30.289 -18.915 1.00 20.14 H new ATOM 0 HB3 ALA A 41 0.123 29.037 -19.663 1.00 20.14 H new ATOM 631 N ASP A 42 -1.116 29.106 -22.610 1.00 22.40 N ATOM 632 CA ASP A 42 -0.810 28.572 -23.932 1.00 63.21 C ATOM 633 C ASP A 42 0.693 28.368 -24.101 1.00 53.24 C ATOM 634 O ASP A 42 1.492 28.896 -23.328 1.00 53.21 O ATOM 635 CB ASP A 42 -1.335 29.511 -25.019 1.00 34.21 C ATOM 636 CG ASP A 42 -2.848 29.494 -25.116 1.00 52.04 C ATOM 637 OD1 ASP A 42 -3.483 28.727 -24.362 1.00 72.14 O ATOM 638 OD2 ASP A 42 -3.397 30.249 -25.946 1.00 32.41 O ATOM 0 H ASP A 42 -0.885 30.092 -22.489 1.00 22.40 H new ATOM 0 HA ASP A 42 -1.303 27.605 -24.029 1.00 63.21 H new ATOM 0 HB2 ASP A 42 -0.998 30.527 -24.812 1.00 34.21 H new ATOM 0 HB3 ASP A 42 -0.909 29.224 -25.980 1.00 34.21 H new ATOM 643 N SER A 43 1.070 27.598 -25.117 1.00 53.53 N ATOM 644 CA SER A 43 2.476 27.321 -25.385 1.00 71.13 C ATOM 645 C SER A 43 3.276 28.616 -25.484 1.00 50.24 C ATOM 646 O SER A 43 4.489 28.628 -25.272 1.00 2.23 O ATOM 647 CB SER A 43 2.622 26.518 -26.679 1.00 75.14 C ATOM 648 OG SER A 43 2.684 27.374 -27.807 1.00 10.33 O ATOM 0 H SER A 43 0.421 27.155 -25.768 1.00 53.53 H new ATOM 0 HA SER A 43 2.869 26.734 -24.555 1.00 71.13 H new ATOM 0 HB2 SER A 43 3.524 25.908 -26.632 1.00 75.14 H new ATOM 0 HB3 SER A 43 1.779 25.834 -26.783 1.00 75.14 H new ATOM 0 HG SER A 43 2.779 26.836 -28.621 1.00 10.33 H new ATOM 654 N LEU A 44 2.588 29.705 -25.809 1.00 2.40 N ATOM 655 CA LEU A 44 3.233 31.008 -25.937 1.00 22.42 C ATOM 656 C LEU A 44 4.072 31.323 -24.703 1.00 3.22 C ATOM 657 O LEU A 44 5.244 31.685 -24.812 1.00 60.15 O ATOM 658 CB LEU A 44 2.183 32.100 -26.147 1.00 4.22 C ATOM 659 CG LEU A 44 1.129 31.821 -27.218 1.00 73.31 C ATOM 660 CD1 LEU A 44 0.211 33.021 -27.389 1.00 75.12 C ATOM 661 CD2 LEU A 44 1.793 31.462 -28.540 1.00 12.35 C ATOM 0 H LEU A 44 1.584 29.712 -25.989 1.00 2.40 H new ATOM 0 HA LEU A 44 3.893 30.976 -26.804 1.00 22.42 H new ATOM 0 HB2 LEU A 44 1.672 32.272 -25.199 1.00 4.22 H new ATOM 0 HB3 LEU A 44 2.697 33.026 -26.405 1.00 4.22 H new ATOM 0 HG LEU A 44 0.527 30.972 -26.895 1.00 73.31 H new ATOM 0 HD11 LEU A 44 -0.533 32.804 -28.156 1.00 75.12 H new ATOM 0 HD12 LEU A 44 -0.292 33.232 -26.445 1.00 75.12 H new ATOM 0 HD13 LEU A 44 0.798 33.889 -27.689 1.00 75.12 H new ATOM 0 HD21 LEU A 44 1.027 31.267 -29.291 1.00 12.35 H new ATOM 0 HD22 LEU A 44 2.420 32.290 -28.869 1.00 12.35 H new ATOM 0 HD23 LEU A 44 2.408 30.571 -28.408 1.00 12.35 H new ATOM 673 N ASP A 45 3.466 31.182 -23.529 1.00 73.14 N ATOM 674 CA ASP A 45 4.158 31.449 -22.274 1.00 32.42 C ATOM 675 C ASP A 45 5.034 30.265 -21.874 1.00 50.53 C ATOM 676 O ASP A 45 6.000 30.421 -21.126 1.00 73.43 O ATOM 677 CB ASP A 45 3.149 31.750 -21.165 1.00 32.55 C ATOM 678 CG ASP A 45 2.966 33.237 -20.936 1.00 54.14 C ATOM 679 OD1 ASP A 45 2.095 33.836 -21.601 1.00 73.01 O ATOM 680 OD2 ASP A 45 3.694 33.803 -20.094 1.00 32.42 O ATOM 0 H ASP A 45 2.496 30.884 -23.421 1.00 73.14 H new ATOM 0 HA ASP A 45 4.798 32.319 -22.418 1.00 32.42 H new ATOM 0 HB2 ASP A 45 2.188 31.304 -21.421 1.00 32.55 H new ATOM 0 HB3 ASP A 45 3.481 31.281 -20.239 1.00 32.55 H new ATOM 685 N ILE A 46 4.690 29.085 -22.377 1.00 33.42 N ATOM 686 CA ILE A 46 5.445 27.876 -22.072 1.00 70.21 C ATOM 687 C ILE A 46 6.803 27.887 -22.766 1.00 20.54 C ATOM 688 O ILE A 46 7.755 27.260 -22.299 1.00 51.23 O ATOM 689 CB ILE A 46 4.676 26.610 -22.494 1.00 73.00 C ATOM 690 CG1 ILE A 46 3.282 26.600 -21.863 1.00 21.54 C ATOM 691 CG2 ILE A 46 5.452 25.362 -22.099 1.00 14.40 C ATOM 692 CD1 ILE A 46 3.303 26.473 -20.355 1.00 54.43 C ATOM 0 H ILE A 46 3.894 28.940 -22.997 1.00 33.42 H new ATOM 0 HA ILE A 46 5.591 27.859 -20.992 1.00 70.21 H new ATOM 0 HB ILE A 46 4.563 26.615 -23.578 1.00 73.00 H new ATOM 0 HG12 ILE A 46 2.762 27.519 -22.135 1.00 21.54 H new ATOM 0 HG13 ILE A 46 2.708 25.773 -22.281 1.00 21.54 H new ATOM 0 HG21 ILE A 46 4.895 24.476 -22.404 1.00 14.40 H new ATOM 0 HG22 ILE A 46 6.424 25.367 -22.591 1.00 14.40 H new ATOM 0 HG23 ILE A 46 5.593 25.348 -21.018 1.00 14.40 H new ATOM 0 HD11 ILE A 46 2.281 26.473 -19.976 1.00 54.43 H new ATOM 0 HD12 ILE A 46 3.794 25.541 -20.075 1.00 54.43 H new ATOM 0 HD13 ILE A 46 3.849 27.314 -19.927 1.00 54.43 H new ATOM 704 N TYR A 47 6.886 28.603 -23.881 1.00 12.52 N ATOM 705 CA TYR A 47 8.127 28.696 -24.640 1.00 24.14 C ATOM 706 C TYR A 47 9.298 29.051 -23.728 1.00 12.51 C ATOM 707 O TYR A 47 10.312 28.355 -23.703 1.00 0.25 O ATOM 708 CB TYR A 47 7.995 29.740 -25.749 1.00 50.51 C ATOM 709 CG TYR A 47 9.240 29.887 -26.594 1.00 41.33 C ATOM 710 CD1 TYR A 47 10.298 30.684 -26.175 1.00 64.21 C ATOM 711 CD2 TYR A 47 9.358 29.228 -27.812 1.00 4.31 C ATOM 712 CE1 TYR A 47 11.437 30.821 -26.945 1.00 4.34 C ATOM 713 CE2 TYR A 47 10.494 29.359 -28.587 1.00 63.33 C ATOM 714 CZ TYR A 47 11.531 30.157 -28.150 1.00 33.34 C ATOM 715 OH TYR A 47 12.664 30.290 -28.918 1.00 63.14 O ATOM 0 H TYR A 47 6.108 29.128 -24.280 1.00 12.52 H new ATOM 0 HA TYR A 47 8.322 27.722 -25.089 1.00 24.14 H new ATOM 0 HB2 TYR A 47 7.159 29.469 -26.393 1.00 50.51 H new ATOM 0 HB3 TYR A 47 7.754 30.704 -25.302 1.00 50.51 H new ATOM 0 HD1 TYR A 47 10.229 31.205 -25.232 1.00 64.21 H new ATOM 0 HD2 TYR A 47 8.548 28.603 -28.158 1.00 4.31 H new ATOM 0 HE1 TYR A 47 12.250 31.445 -26.605 1.00 4.34 H new ATOM 0 HE2 TYR A 47 10.570 28.839 -29.531 1.00 63.33 H new ATOM 0 HH TYR A 47 12.570 29.757 -29.735 1.00 63.14 H new ATOM 725 N GLU A 48 9.148 30.141 -22.980 1.00 74.54 N ATOM 726 CA GLU A 48 10.192 30.589 -22.067 1.00 50.31 C ATOM 727 C GLU A 48 10.281 29.673 -20.850 1.00 13.22 C ATOM 728 O GLU A 48 11.365 29.435 -20.316 1.00 33.23 O ATOM 729 CB GLU A 48 9.925 32.027 -21.618 1.00 55.43 C ATOM 730 CG GLU A 48 10.060 33.049 -22.735 1.00 75.32 C ATOM 731 CD GLU A 48 9.866 34.472 -22.251 1.00 13.44 C ATOM 732 OE1 GLU A 48 10.371 34.800 -21.157 1.00 23.15 O ATOM 733 OE2 GLU A 48 9.209 35.258 -22.964 1.00 53.43 O ATOM 0 H GLU A 48 8.314 30.729 -22.989 1.00 74.54 H new ATOM 0 HA GLU A 48 11.143 30.552 -22.598 1.00 50.31 H new ATOM 0 HB2 GLU A 48 8.920 32.088 -21.201 1.00 55.43 H new ATOM 0 HB3 GLU A 48 10.618 32.283 -20.817 1.00 55.43 H new ATOM 0 HG2 GLU A 48 11.046 32.956 -23.190 1.00 75.32 H new ATOM 0 HG3 GLU A 48 9.328 32.831 -23.512 1.00 75.32 H new ATOM 740 N LEU A 49 9.133 29.163 -20.416 1.00 65.01 N ATOM 741 CA LEU A 49 9.080 28.273 -19.261 1.00 51.14 C ATOM 742 C LEU A 49 10.080 27.131 -19.407 1.00 70.34 C ATOM 743 O LEU A 49 10.978 26.968 -18.581 1.00 4.15 O ATOM 744 CB LEU A 49 7.667 27.711 -19.091 1.00 5.00 C ATOM 745 CG LEU A 49 7.414 26.908 -17.815 1.00 22.23 C ATOM 746 CD1 LEU A 49 7.119 27.838 -16.648 1.00 73.04 C ATOM 747 CD2 LEU A 49 6.269 25.927 -18.020 1.00 60.14 C ATOM 0 H LEU A 49 8.227 29.350 -20.846 1.00 65.01 H new ATOM 0 HA LEU A 49 9.344 28.851 -18.375 1.00 51.14 H new ATOM 0 HB2 LEU A 49 6.961 28.541 -19.120 1.00 5.00 H new ATOM 0 HB3 LEU A 49 7.445 27.074 -19.947 1.00 5.00 H new ATOM 0 HG LEU A 49 8.315 26.340 -17.582 1.00 22.23 H new ATOM 0 HD11 LEU A 49 6.942 27.248 -15.749 1.00 73.04 H new ATOM 0 HD12 LEU A 49 7.970 28.500 -16.486 1.00 73.04 H new ATOM 0 HD13 LEU A 49 6.234 28.433 -16.872 1.00 73.04 H new ATOM 0 HD21 LEU A 49 6.103 25.364 -17.101 1.00 60.14 H new ATOM 0 HD22 LEU A 49 5.363 26.475 -18.279 1.00 60.14 H new ATOM 0 HD23 LEU A 49 6.520 25.239 -18.827 1.00 60.14 H new ATOM 759 N LEU A 50 9.920 26.343 -20.465 1.00 33.21 N ATOM 760 CA LEU A 50 10.810 25.216 -20.721 1.00 41.04 C ATOM 761 C LEU A 50 12.196 25.700 -21.136 1.00 11.44 C ATOM 762 O LEU A 50 13.211 25.176 -20.677 1.00 31.15 O ATOM 763 CB LEU A 50 10.225 24.316 -21.811 1.00 40.23 C ATOM 764 CG LEU A 50 9.724 25.025 -23.070 1.00 15.43 C ATOM 765 CD1 LEU A 50 10.628 24.716 -24.253 1.00 13.31 C ATOM 766 CD2 LEU A 50 8.288 24.622 -23.373 1.00 61.43 C ATOM 0 H LEU A 50 9.182 26.464 -21.159 1.00 33.21 H new ATOM 0 HA LEU A 50 10.906 24.644 -19.798 1.00 41.04 H new ATOM 0 HB2 LEU A 50 10.986 23.593 -22.104 1.00 40.23 H new ATOM 0 HB3 LEU A 50 9.397 23.751 -21.382 1.00 40.23 H new ATOM 0 HG LEU A 50 9.749 26.100 -22.892 1.00 15.43 H new ATOM 0 HD11 LEU A 50 10.255 25.229 -25.139 1.00 13.31 H new ATOM 0 HD12 LEU A 50 11.641 25.056 -24.036 1.00 13.31 H new ATOM 0 HD13 LEU A 50 10.637 23.641 -24.433 1.00 13.31 H new ATOM 0 HD21 LEU A 50 7.948 25.136 -24.272 1.00 61.43 H new ATOM 0 HD22 LEU A 50 8.238 23.545 -23.530 1.00 61.43 H new ATOM 0 HD23 LEU A 50 7.648 24.896 -22.534 1.00 61.43 H new ATOM 778 N TYR A 51 12.231 26.705 -22.004 1.00 14.12 N ATOM 779 CA TYR A 51 13.492 27.261 -22.480 1.00 72.51 C ATOM 780 C TYR A 51 14.403 27.623 -21.312 1.00 22.04 C ATOM 781 O TYR A 51 15.606 27.357 -21.340 1.00 75.35 O ATOM 782 CB TYR A 51 13.235 28.497 -23.344 1.00 21.34 C ATOM 783 CG TYR A 51 14.469 29.338 -23.579 1.00 1.14 C ATOM 784 CD1 TYR A 51 15.673 28.752 -23.951 1.00 31.14 C ATOM 785 CD2 TYR A 51 14.432 30.719 -23.428 1.00 30.32 C ATOM 786 CE1 TYR A 51 16.803 29.516 -24.166 1.00 2.53 C ATOM 787 CE2 TYR A 51 15.557 31.491 -23.642 1.00 51.22 C ATOM 788 CZ TYR A 51 16.740 30.886 -24.011 1.00 21.42 C ATOM 789 OH TYR A 51 17.863 31.651 -24.224 1.00 3.51 O ATOM 0 H TYR A 51 11.400 27.151 -22.392 1.00 14.12 H new ATOM 0 HA TYR A 51 13.990 26.502 -23.083 1.00 72.51 H new ATOM 0 HB2 TYR A 51 12.833 28.180 -24.306 1.00 21.34 H new ATOM 0 HB3 TYR A 51 12.472 29.112 -22.866 1.00 21.34 H new ATOM 0 HD1 TYR A 51 15.726 27.680 -24.074 1.00 31.14 H new ATOM 0 HD2 TYR A 51 13.508 31.197 -23.138 1.00 30.32 H new ATOM 0 HE1 TYR A 51 17.731 29.044 -24.454 1.00 2.53 H new ATOM 0 HE2 TYR A 51 15.510 32.563 -23.521 1.00 51.22 H new ATOM 0 HH TYR A 51 17.649 32.595 -24.074 1.00 3.51 H new ATOM 799 N LEU A 52 13.822 28.232 -20.284 1.00 23.44 N ATOM 800 CA LEU A 52 14.580 28.631 -19.103 1.00 3.10 C ATOM 801 C LEU A 52 14.833 27.437 -18.188 1.00 75.10 C ATOM 802 O LEU A 52 15.819 27.403 -17.451 1.00 13.32 O ATOM 803 CB LEU A 52 13.833 29.725 -18.338 1.00 75.25 C ATOM 804 CG LEU A 52 14.200 31.165 -18.697 1.00 55.23 C ATOM 805 CD1 LEU A 52 13.826 31.468 -20.140 1.00 61.41 C ATOM 806 CD2 LEU A 52 13.515 32.141 -17.752 1.00 1.35 C ATOM 0 H LEU A 52 12.829 28.460 -20.244 1.00 23.44 H new ATOM 0 HA LEU A 52 15.542 29.021 -19.435 1.00 3.10 H new ATOM 0 HB2 LEU A 52 12.764 29.591 -18.504 1.00 75.25 H new ATOM 0 HB3 LEU A 52 14.010 29.581 -17.272 1.00 75.25 H new ATOM 0 HG LEU A 52 15.278 31.282 -18.590 1.00 55.23 H new ATOM 0 HD11 LEU A 52 14.095 32.497 -20.377 1.00 61.41 H new ATOM 0 HD12 LEU A 52 14.362 30.791 -20.805 1.00 61.41 H new ATOM 0 HD13 LEU A 52 12.753 31.333 -20.274 1.00 61.41 H new ATOM 0 HD21 LEU A 52 13.788 33.161 -18.022 1.00 1.35 H new ATOM 0 HD22 LEU A 52 12.434 32.022 -17.827 1.00 1.35 H new ATOM 0 HD23 LEU A 52 13.832 31.940 -16.729 1.00 1.35 H new ATOM 818 N LEU A 53 13.937 26.458 -18.242 1.00 34.41 N ATOM 819 CA LEU A 53 14.063 25.259 -17.420 1.00 12.24 C ATOM 820 C LEU A 53 15.271 24.431 -17.846 1.00 34.11 C ATOM 821 O LEU A 53 16.107 24.066 -17.021 1.00 3.54 O ATOM 822 CB LEU A 53 12.791 24.415 -17.516 1.00 21.52 C ATOM 823 CG LEU A 53 11.918 24.371 -16.261 1.00 72.15 C ATOM 824 CD1 LEU A 53 11.640 25.778 -15.755 1.00 72.24 C ATOM 825 CD2 LEU A 53 10.615 23.637 -16.544 1.00 22.42 C ATOM 0 H LEU A 53 13.115 26.471 -18.846 1.00 34.41 H new ATOM 0 HA LEU A 53 14.207 25.571 -16.386 1.00 12.24 H new ATOM 0 HB2 LEU A 53 12.188 24.795 -18.341 1.00 21.52 H new ATOM 0 HB3 LEU A 53 13.075 23.394 -17.773 1.00 21.52 H new ATOM 0 HG LEU A 53 12.457 23.828 -15.485 1.00 72.15 H new ATOM 0 HD11 LEU A 53 11.018 25.727 -14.862 1.00 72.24 H new ATOM 0 HD12 LEU A 53 12.582 26.270 -15.513 1.00 72.24 H new ATOM 0 HD13 LEU A 53 11.121 26.346 -16.527 1.00 72.24 H new ATOM 0 HD21 LEU A 53 10.006 23.615 -15.640 1.00 22.42 H new ATOM 0 HD22 LEU A 53 10.071 24.153 -17.335 1.00 22.42 H new ATOM 0 HD23 LEU A 53 10.833 22.617 -16.859 1.00 22.42 H new ATOM 837 N GLU A 54 15.355 24.139 -19.140 1.00 52.43 N ATOM 838 CA GLU A 54 16.462 23.355 -19.676 1.00 14.34 C ATOM 839 C GLU A 54 17.784 24.100 -19.515 1.00 53.21 C ATOM 840 O GLU A 54 18.817 23.496 -19.231 1.00 63.12 O ATOM 841 CB GLU A 54 16.221 23.034 -21.152 1.00 33.20 C ATOM 842 CG GLU A 54 15.974 24.263 -22.010 1.00 55.02 C ATOM 843 CD GLU A 54 17.151 24.596 -22.905 1.00 44.13 C ATOM 844 OE1 GLU A 54 18.095 25.256 -22.423 1.00 45.14 O ATOM 845 OE2 GLU A 54 17.129 24.196 -24.088 1.00 74.12 O ATOM 0 H GLU A 54 14.670 24.433 -19.836 1.00 52.43 H new ATOM 0 HA GLU A 54 16.519 22.423 -19.114 1.00 14.34 H new ATOM 0 HB2 GLU A 54 17.084 22.496 -21.544 1.00 33.20 H new ATOM 0 HB3 GLU A 54 15.364 22.366 -21.234 1.00 33.20 H new ATOM 0 HG2 GLU A 54 15.089 24.100 -22.625 1.00 55.02 H new ATOM 0 HG3 GLU A 54 15.761 25.115 -21.365 1.00 55.02 H new ATOM 852 N GLU A 55 17.741 25.416 -19.700 1.00 1.03 N ATOM 853 CA GLU A 55 18.936 26.243 -19.577 1.00 12.02 C ATOM 854 C GLU A 55 19.524 26.144 -18.172 1.00 61.22 C ATOM 855 O GLU A 55 20.716 26.373 -17.969 1.00 60.15 O ATOM 856 CB GLU A 55 18.609 27.702 -19.903 1.00 21.22 C ATOM 857 CG GLU A 55 19.819 28.620 -19.864 1.00 62.15 C ATOM 858 CD GLU A 55 19.604 29.902 -20.645 1.00 12.01 C ATOM 859 OE1 GLU A 55 19.863 29.903 -21.867 1.00 20.24 O ATOM 860 OE2 GLU A 55 19.177 30.904 -20.035 1.00 14.14 O ATOM 0 H GLU A 55 16.893 25.932 -19.935 1.00 1.03 H new ATOM 0 HA GLU A 55 19.676 25.876 -20.289 1.00 12.02 H new ATOM 0 HB2 GLU A 55 18.157 27.752 -20.894 1.00 21.22 H new ATOM 0 HB3 GLU A 55 17.864 28.066 -19.195 1.00 21.22 H new ATOM 0 HG2 GLU A 55 20.051 28.865 -18.828 1.00 62.15 H new ATOM 0 HG3 GLU A 55 20.683 28.093 -20.268 1.00 62.15 H new ATOM 867 N ALA A 56 18.678 25.801 -17.206 1.00 5.42 N ATOM 868 CA ALA A 56 19.114 25.670 -15.821 1.00 13.31 C ATOM 869 C ALA A 56 19.791 24.325 -15.583 1.00 71.22 C ATOM 870 O ALA A 56 20.544 24.159 -14.624 1.00 23.53 O ATOM 871 CB ALA A 56 17.932 25.843 -14.878 1.00 22.42 C ATOM 0 H ALA A 56 17.688 25.609 -17.357 1.00 5.42 H new ATOM 0 HA ALA A 56 19.844 26.454 -15.620 1.00 13.31 H new ATOM 0 HB1 ALA A 56 18.271 25.743 -13.847 1.00 22.42 H new ATOM 0 HB2 ALA A 56 17.494 26.831 -15.021 1.00 22.42 H new ATOM 0 HB3 ALA A 56 17.183 25.080 -15.089 1.00 22.42 H new ATOM 877 N PHE A 57 19.517 23.367 -16.462 1.00 63.53 N ATOM 878 CA PHE A 57 20.099 22.034 -16.347 1.00 2.41 C ATOM 879 C PHE A 57 21.143 21.801 -17.435 1.00 23.22 C ATOM 880 O PHE A 57 21.624 20.683 -17.619 1.00 24.55 O ATOM 881 CB PHE A 57 19.006 20.968 -16.436 1.00 72.31 C ATOM 882 CG PHE A 57 17.765 21.315 -15.664 1.00 40.13 C ATOM 883 CD1 PHE A 57 17.854 21.864 -14.395 1.00 73.11 C ATOM 884 CD2 PHE A 57 16.510 21.093 -16.208 1.00 1.30 C ATOM 885 CE1 PHE A 57 16.714 22.184 -13.682 1.00 75.45 C ATOM 886 CE2 PHE A 57 15.366 21.412 -15.500 1.00 62.52 C ATOM 887 CZ PHE A 57 15.468 21.958 -14.236 1.00 43.31 C ATOM 0 H PHE A 57 18.896 23.488 -17.262 1.00 63.53 H new ATOM 0 HA PHE A 57 20.589 21.961 -15.376 1.00 2.41 H new ATOM 0 HB2 PHE A 57 18.742 20.816 -17.483 1.00 72.31 H new ATOM 0 HB3 PHE A 57 19.401 20.022 -16.066 1.00 72.31 H new ATOM 0 HD1 PHE A 57 18.825 22.044 -13.958 1.00 73.11 H new ATOM 0 HD2 PHE A 57 16.424 20.666 -17.196 1.00 1.30 H new ATOM 0 HE1 PHE A 57 16.797 22.610 -12.693 1.00 75.45 H new ATOM 0 HE2 PHE A 57 14.394 21.234 -15.935 1.00 62.52 H new ATOM 0 HZ PHE A 57 14.576 22.208 -13.681 1.00 43.31 H new ATOM 897 N ASP A 58 21.488 22.864 -18.153 1.00 62.42 N ATOM 898 CA ASP A 58 22.475 22.776 -19.223 1.00 24.21 C ATOM 899 C ASP A 58 22.116 21.665 -20.204 1.00 71.33 C ATOM 900 O ASP A 58 22.779 20.629 -20.254 1.00 71.53 O ATOM 901 CB ASP A 58 23.868 22.529 -18.641 1.00 63.24 C ATOM 902 CG ASP A 58 24.236 23.538 -17.571 1.00 62.42 C ATOM 903 OD1 ASP A 58 24.216 24.751 -17.867 1.00 61.10 O ATOM 904 OD2 ASP A 58 24.543 23.114 -16.438 1.00 23.24 O ATOM 0 H ASP A 58 21.099 23.797 -18.014 1.00 62.42 H new ATOM 0 HA ASP A 58 22.477 23.724 -19.761 1.00 24.21 H new ATOM 0 HB2 ASP A 58 23.909 21.525 -18.219 1.00 63.24 H new ATOM 0 HB3 ASP A 58 24.606 22.568 -19.443 1.00 63.24 H new ATOM 909 N ASP A 59 21.062 21.887 -20.982 1.00 0.32 N ATOM 910 CA ASP A 59 20.614 20.905 -21.962 1.00 71.01 C ATOM 911 C ASP A 59 19.641 21.533 -22.955 1.00 32.00 C ATOM 912 O ASP A 59 19.055 22.582 -22.688 1.00 13.23 O ATOM 913 CB ASP A 59 19.951 19.718 -21.260 1.00 42.45 C ATOM 914 CG ASP A 59 20.878 18.525 -21.141 1.00 5.02 C ATOM 915 OD1 ASP A 59 21.315 18.006 -22.189 1.00 75.41 O ATOM 916 OD2 ASP A 59 21.167 18.110 -19.999 1.00 24.13 O ATOM 0 H ASP A 59 20.502 22.739 -20.953 1.00 0.32 H new ATOM 0 HA ASP A 59 21.487 20.551 -22.511 1.00 71.01 H new ATOM 0 HB2 ASP A 59 19.626 20.023 -20.265 1.00 42.45 H new ATOM 0 HB3 ASP A 59 19.057 19.426 -21.811 1.00 42.45 H new ATOM 921 N LYS A 60 19.474 20.885 -24.103 1.00 21.33 N ATOM 922 CA LYS A 60 18.572 21.378 -25.137 1.00 3.22 C ATOM 923 C LYS A 60 17.236 20.644 -25.089 1.00 63.35 C ATOM 924 O LYS A 60 17.195 19.420 -24.961 1.00 72.34 O ATOM 925 CB LYS A 60 19.209 21.213 -26.519 1.00 33.23 C ATOM 926 CG LYS A 60 20.305 22.224 -26.809 1.00 33.44 C ATOM 927 CD LYS A 60 19.730 23.556 -27.259 1.00 74.23 C ATOM 928 CE LYS A 60 20.826 24.579 -27.514 1.00 62.43 C ATOM 929 NZ LYS A 60 20.297 25.809 -28.166 1.00 32.42 N ATOM 0 H LYS A 60 19.952 20.016 -24.341 1.00 21.33 H new ATOM 0 HA LYS A 60 18.391 22.437 -24.952 1.00 3.22 H new ATOM 0 HB2 LYS A 60 19.623 20.208 -26.601 1.00 33.23 H new ATOM 0 HB3 LYS A 60 18.434 21.302 -27.280 1.00 33.23 H new ATOM 0 HG2 LYS A 60 20.911 22.372 -25.915 1.00 33.44 H new ATOM 0 HG3 LYS A 60 20.967 21.833 -27.582 1.00 33.44 H new ATOM 0 HD2 LYS A 60 19.146 23.413 -28.168 1.00 74.23 H new ATOM 0 HD3 LYS A 60 19.048 23.935 -26.498 1.00 74.23 H new ATOM 0 HE2 LYS A 60 21.302 24.845 -26.570 1.00 62.43 H new ATOM 0 HE3 LYS A 60 21.596 24.136 -28.145 1.00 62.43 H new ATOM 0 HZ1 LYS A 60 21.075 26.481 -28.323 1.00 32.42 H new ATOM 0 HZ2 LYS A 60 19.866 25.560 -29.079 1.00 32.42 H new ATOM 0 HZ3 LYS A 60 19.580 26.246 -27.552 1.00 32.42 H new ATOM 943 N ILE A 61 16.148 21.398 -25.195 1.00 14.11 N ATOM 944 CA ILE A 61 14.811 20.817 -25.167 1.00 11.53 C ATOM 945 C ILE A 61 14.512 20.063 -26.458 1.00 20.34 C ATOM 946 O ILE A 61 14.216 18.868 -26.453 1.00 32.31 O ATOM 947 CB ILE A 61 13.733 21.897 -24.955 1.00 33.42 C ATOM 948 CG1 ILE A 61 13.506 22.136 -23.461 1.00 5.04 C ATOM 949 CG2 ILE A 61 12.434 21.488 -25.634 1.00 1.30 C ATOM 950 CD1 ILE A 61 12.760 21.013 -22.775 1.00 51.20 C ATOM 0 H ILE A 61 16.165 22.412 -25.301 1.00 14.11 H new ATOM 0 HA ILE A 61 14.787 20.121 -24.329 1.00 11.53 H new ATOM 0 HB ILE A 61 14.079 22.828 -25.404 1.00 33.42 H new ATOM 0 HG12 ILE A 61 14.471 22.272 -22.972 1.00 5.04 H new ATOM 0 HG13 ILE A 61 12.949 23.064 -23.330 1.00 5.04 H new ATOM 0 HG21 ILE A 61 11.682 22.261 -25.476 1.00 1.30 H new ATOM 0 HG22 ILE A 61 12.606 21.363 -26.703 1.00 1.30 H new ATOM 0 HG23 ILE A 61 12.083 20.547 -25.210 1.00 1.30 H new ATOM 0 HD11 ILE A 61 12.635 21.251 -21.719 1.00 51.20 H new ATOM 0 HD12 ILE A 61 11.781 20.891 -23.237 1.00 51.20 H new ATOM 0 HD13 ILE A 61 13.326 20.087 -22.874 1.00 51.20 H new ATOM 962 N PRO A 62 14.593 20.775 -27.591 1.00 74.34 N ATOM 963 CA PRO A 62 14.337 20.192 -28.912 1.00 34.00 C ATOM 964 C PRO A 62 15.426 19.212 -29.334 1.00 41.23 C ATOM 965 O PRO A 62 15.333 18.584 -30.388 1.00 61.02 O ATOM 966 CB PRO A 62 14.323 21.409 -29.840 1.00 50.12 C ATOM 967 CG PRO A 62 15.158 22.427 -29.143 1.00 20.23 C ATOM 968 CD PRO A 62 14.940 22.203 -27.672 1.00 4.33 C ATOM 0 HA PRO A 62 13.413 19.614 -28.931 1.00 34.00 H new ATOM 0 HB2 PRO A 62 14.733 21.164 -30.820 1.00 50.12 H new ATOM 0 HB3 PRO A 62 13.308 21.772 -30.001 1.00 50.12 H new ATOM 0 HG2 PRO A 62 16.210 22.314 -29.403 1.00 20.23 H new ATOM 0 HG3 PRO A 62 14.865 23.436 -29.432 1.00 20.23 H new ATOM 0 HD2 PRO A 62 15.835 22.432 -27.094 1.00 4.33 H new ATOM 0 HD3 PRO A 62 14.140 22.833 -27.284 1.00 4.33 H new ATOM 976 N GLU A 63 16.457 19.087 -28.505 1.00 2.14 N ATOM 977 CA GLU A 63 17.564 18.183 -28.794 1.00 3.21 C ATOM 978 C GLU A 63 17.574 17.007 -27.822 1.00 64.30 C ATOM 979 O GLU A 63 17.374 15.859 -28.218 1.00 2.40 O ATOM 980 CB GLU A 63 18.896 18.932 -28.719 1.00 4.20 C ATOM 981 CG GLU A 63 19.841 18.611 -29.865 1.00 72.21 C ATOM 982 CD GLU A 63 20.589 17.309 -29.657 1.00 22.34 C ATOM 983 OE1 GLU A 63 20.654 16.841 -28.500 1.00 73.24 O ATOM 984 OE2 GLU A 63 21.110 16.758 -30.649 1.00 24.24 O ATOM 0 H GLU A 63 16.549 19.600 -27.628 1.00 2.14 H new ATOM 0 HA GLU A 63 17.429 17.796 -29.804 1.00 3.21 H new ATOM 0 HB2 GLU A 63 18.700 20.004 -28.710 1.00 4.20 H new ATOM 0 HB3 GLU A 63 19.387 18.690 -27.776 1.00 4.20 H new ATOM 0 HG2 GLU A 63 19.274 18.555 -30.794 1.00 72.21 H new ATOM 0 HG3 GLU A 63 20.558 19.424 -29.978 1.00 72.21 H new ATOM 991 N ASN A 64 17.810 17.302 -26.548 1.00 32.34 N ATOM 992 CA ASN A 64 17.847 16.269 -25.518 1.00 65.05 C ATOM 993 C ASN A 64 16.443 15.766 -25.201 1.00 74.32 C ATOM 994 O ASN A 64 16.134 14.592 -25.402 1.00 74.23 O ATOM 995 CB ASN A 64 18.507 16.810 -24.248 1.00 73.40 C ATOM 996 CG ASN A 64 19.222 15.728 -23.463 1.00 24.43 C ATOM 997 OD1 ASN A 64 20.266 15.227 -23.883 1.00 11.42 O ATOM 998 ND2 ASN A 64 18.663 15.361 -22.316 1.00 33.04 N ATOM 0 H ASN A 64 17.978 18.247 -26.204 1.00 32.34 H new ATOM 0 HA ASN A 64 18.435 15.433 -25.897 1.00 65.05 H new ATOM 0 HB2 ASN A 64 19.218 17.591 -24.516 1.00 73.40 H new ATOM 0 HB3 ASN A 64 17.749 17.273 -23.616 1.00 73.40 H new ATOM 0 HD21 ASN A 64 19.099 14.637 -21.745 1.00 33.04 H new ATOM 0 HD22 ASN A 64 17.797 15.803 -22.006 1.00 33.04 H new ATOM 1005 N GLU A 65 15.596 16.663 -24.705 1.00 24.11 N ATOM 1006 CA GLU A 65 14.225 16.309 -24.360 1.00 14.12 C ATOM 1007 C GLU A 65 13.484 15.755 -25.574 1.00 12.24 C ATOM 1008 O GLU A 65 12.542 14.975 -25.436 1.00 65.45 O ATOM 1009 CB GLU A 65 13.483 17.529 -23.809 1.00 31.22 C ATOM 1010 CG GLU A 65 13.677 17.736 -22.316 1.00 71.02 C ATOM 1011 CD GLU A 65 15.003 18.392 -21.986 1.00 5.22 C ATOM 1012 OE1 GLU A 65 16.044 17.710 -22.084 1.00 65.24 O ATOM 1013 OE2 GLU A 65 15.000 19.589 -21.629 1.00 11.11 O ATOM 0 H GLU A 65 15.836 17.639 -24.533 1.00 24.11 H new ATOM 0 HA GLU A 65 14.259 15.536 -23.592 1.00 14.12 H new ATOM 0 HB2 GLU A 65 13.822 18.420 -24.338 1.00 31.22 H new ATOM 0 HB3 GLU A 65 12.419 17.421 -24.017 1.00 31.22 H new ATOM 0 HG2 GLU A 65 12.865 18.352 -21.930 1.00 71.02 H new ATOM 0 HG3 GLU A 65 13.616 16.773 -21.808 1.00 71.02 H new ATOM 1020 N ALA A 66 13.916 16.166 -26.761 1.00 61.03 N ATOM 1021 CA ALA A 66 13.296 15.711 -27.999 1.00 71.43 C ATOM 1022 C ALA A 66 13.476 14.208 -28.183 1.00 62.42 C ATOM 1023 O ALA A 66 12.826 13.594 -29.028 1.00 33.22 O ATOM 1024 CB ALA A 66 13.876 16.463 -29.188 1.00 14.01 C ATOM 0 H ALA A 66 14.693 16.814 -26.892 1.00 61.03 H new ATOM 0 HA ALA A 66 12.228 15.918 -27.938 1.00 71.43 H new ATOM 0 HB1 ALA A 66 13.404 16.113 -30.106 1.00 14.01 H new ATOM 0 HB2 ALA A 66 13.691 17.530 -29.069 1.00 14.01 H new ATOM 0 HB3 ALA A 66 14.950 16.285 -29.242 1.00 14.01 H new ATOM 1030 N ASN A 67 14.364 13.621 -27.387 1.00 44.11 N ATOM 1031 CA ASN A 67 14.631 12.189 -27.463 1.00 41.35 C ATOM 1032 C ASN A 67 13.365 11.385 -27.184 1.00 25.53 C ATOM 1033 O ASN A 67 13.247 10.232 -27.599 1.00 2.24 O ATOM 1034 CB ASN A 67 15.727 11.800 -26.469 1.00 72.22 C ATOM 1035 CG ASN A 67 15.185 11.576 -25.071 1.00 23.35 C ATOM 1036 OD1 ASN A 67 14.487 12.573 -24.540 1.00 2.42 O flip ATOM 1037 ND2 ASN A 67 15.392 10.518 -24.475 1.00 21.22 N flip ATOM 0 H ASN A 67 14.911 14.115 -26.682 1.00 44.11 H new ATOM 0 HA ASN A 67 14.970 11.960 -28.473 1.00 41.35 H new ATOM 0 HB2 ASN A 67 16.221 10.892 -26.814 1.00 72.22 H new ATOM 0 HB3 ASN A 67 16.484 12.584 -26.441 1.00 72.22 H new ATOM 0 HD21 ASN A 67 15.934 9.779 -24.922 1.00 21.22 H new ATOM 0 HD22 ASN A 67 15.021 10.381 -23.535 1.00 21.22 H new ATOM 1044 N GLU A 68 12.423 12.001 -26.478 1.00 55.00 N ATOM 1045 CA GLU A 68 11.166 11.341 -26.143 1.00 50.31 C ATOM 1046 C GLU A 68 10.118 12.359 -25.701 1.00 62.11 C ATOM 1047 O GLU A 68 9.384 12.133 -24.739 1.00 73.43 O ATOM 1048 CB GLU A 68 11.386 10.307 -25.037 1.00 63.24 C ATOM 1049 CG GLU A 68 10.634 9.006 -25.262 1.00 61.14 C ATOM 1050 CD GLU A 68 11.322 7.816 -24.622 1.00 62.02 C ATOM 1051 OE1 GLU A 68 12.041 8.015 -23.620 1.00 54.32 O ATOM 1052 OE2 GLU A 68 11.143 6.686 -25.123 1.00 10.22 O ATOM 0 H GLU A 68 12.506 12.955 -26.127 1.00 55.00 H new ATOM 0 HA GLU A 68 10.802 10.835 -27.037 1.00 50.31 H new ATOM 0 HB2 GLU A 68 12.452 10.092 -24.959 1.00 63.24 H new ATOM 0 HB3 GLU A 68 11.077 10.736 -24.084 1.00 63.24 H new ATOM 0 HG2 GLU A 68 9.626 9.099 -24.858 1.00 61.14 H new ATOM 0 HG3 GLU A 68 10.533 8.830 -26.333 1.00 61.14 H new ATOM 1059 N PHE A 69 10.056 13.481 -26.410 1.00 52.12 N ATOM 1060 CA PHE A 69 9.100 14.535 -26.091 1.00 73.11 C ATOM 1061 C PHE A 69 7.831 14.390 -26.927 1.00 44.11 C ATOM 1062 O PHE A 69 7.875 13.919 -28.063 1.00 24.42 O ATOM 1063 CB PHE A 69 9.726 15.910 -26.329 1.00 4.42 C ATOM 1064 CG PHE A 69 9.615 16.832 -25.148 1.00 51.11 C ATOM 1065 CD1 PHE A 69 9.791 16.353 -23.860 1.00 15.42 C ATOM 1066 CD2 PHE A 69 9.334 18.177 -25.327 1.00 12.15 C ATOM 1067 CE1 PHE A 69 9.689 17.199 -22.771 1.00 71.10 C ATOM 1068 CE2 PHE A 69 9.231 19.027 -24.242 1.00 4.32 C ATOM 1069 CZ PHE A 69 9.408 18.537 -22.962 1.00 50.54 C ATOM 0 H PHE A 69 10.656 13.684 -27.209 1.00 52.12 H new ATOM 0 HA PHE A 69 8.833 14.442 -25.038 1.00 73.11 H new ATOM 0 HB2 PHE A 69 10.778 15.782 -26.582 1.00 4.42 H new ATOM 0 HB3 PHE A 69 9.245 16.375 -27.189 1.00 4.42 H new ATOM 0 HD1 PHE A 69 10.010 15.307 -23.705 1.00 15.42 H new ATOM 0 HD2 PHE A 69 9.194 18.565 -26.325 1.00 12.15 H new ATOM 0 HE1 PHE A 69 9.829 16.813 -21.772 1.00 71.10 H new ATOM 0 HE2 PHE A 69 9.012 20.074 -24.394 1.00 4.32 H new ATOM 0 HZ PHE A 69 9.327 19.199 -22.113 1.00 50.54 H new ATOM 1079 N GLU A 70 6.703 14.799 -26.355 1.00 70.24 N ATOM 1080 CA GLU A 70 5.422 14.713 -27.047 1.00 43.24 C ATOM 1081 C GLU A 70 4.429 15.724 -26.481 1.00 44.45 C ATOM 1082 O GLU A 70 3.935 16.595 -27.198 1.00 51.14 O ATOM 1083 CB GLU A 70 4.849 13.299 -26.932 1.00 53.30 C ATOM 1084 CG GLU A 70 3.648 13.054 -27.830 1.00 50.54 C ATOM 1085 CD GLU A 70 4.045 12.681 -29.246 1.00 14.24 C ATOM 1086 OE1 GLU A 70 4.437 11.516 -29.463 1.00 73.52 O ATOM 1087 OE2 GLU A 70 3.963 13.554 -30.135 1.00 25.11 O ATOM 0 H GLU A 70 6.650 15.193 -25.416 1.00 70.24 H new ATOM 0 HA GLU A 70 5.590 14.945 -28.099 1.00 43.24 H new ATOM 0 HB2 GLU A 70 5.629 12.579 -27.178 1.00 53.30 H new ATOM 0 HB3 GLU A 70 4.561 13.116 -25.897 1.00 53.30 H new ATOM 0 HG2 GLU A 70 3.038 12.256 -27.405 1.00 50.54 H new ATOM 0 HG3 GLU A 70 3.028 13.950 -27.854 1.00 50.54 H new ATOM 1094 N THR A 71 4.141 15.603 -25.189 1.00 62.43 N ATOM 1095 CA THR A 71 3.207 16.503 -24.526 1.00 52.45 C ATOM 1096 C THR A 71 3.618 16.755 -23.080 1.00 52.34 C ATOM 1097 O THR A 71 4.655 16.272 -22.626 1.00 41.41 O ATOM 1098 CB THR A 71 1.773 15.942 -24.550 1.00 55.02 C ATOM 1099 OG1 THR A 71 1.750 14.631 -23.975 1.00 0.03 O ATOM 1100 CG2 THR A 71 1.237 15.886 -25.973 1.00 12.11 C ATOM 0 H THR A 71 4.542 14.889 -24.581 1.00 62.43 H new ATOM 0 HA THR A 71 3.230 17.444 -25.076 1.00 52.45 H new ATOM 0 HB THR A 71 1.137 16.606 -23.965 1.00 55.02 H new ATOM 0 HG1 THR A 71 1.106 14.609 -23.236 1.00 0.03 H new ATOM 0 HG21 THR A 71 0.223 15.486 -25.964 1.00 12.11 H new ATOM 0 HG22 THR A 71 1.228 16.890 -26.398 1.00 12.11 H new ATOM 0 HG23 THR A 71 1.876 15.242 -26.577 1.00 12.11 H new ATOM 1108 N VAL A 72 2.798 17.514 -22.360 1.00 54.24 N ATOM 1109 CA VAL A 72 3.075 17.829 -20.964 1.00 64.21 C ATOM 1110 C VAL A 72 3.410 16.569 -20.173 1.00 42.21 C ATOM 1111 O VAL A 72 4.324 16.565 -19.349 1.00 53.51 O ATOM 1112 CB VAL A 72 1.879 18.536 -20.300 1.00 5.35 C ATOM 1113 CG1 VAL A 72 2.252 19.021 -18.907 1.00 3.22 C ATOM 1114 CG2 VAL A 72 1.397 19.691 -21.164 1.00 11.42 C ATOM 0 H VAL A 72 1.936 17.922 -22.721 1.00 54.24 H new ATOM 0 HA VAL A 72 3.934 18.500 -20.955 1.00 64.21 H new ATOM 0 HB VAL A 72 1.063 17.820 -20.203 1.00 5.35 H new ATOM 0 HG11 VAL A 72 1.395 19.518 -18.453 1.00 3.22 H new ATOM 0 HG12 VAL A 72 2.546 18.170 -18.292 1.00 3.22 H new ATOM 0 HG13 VAL A 72 3.083 19.723 -18.976 1.00 3.22 H new ATOM 0 HG21 VAL A 72 0.551 20.179 -20.680 1.00 11.42 H new ATOM 0 HG22 VAL A 72 2.206 20.410 -21.294 1.00 11.42 H new ATOM 0 HG23 VAL A 72 1.088 19.312 -22.138 1.00 11.42 H new ATOM 1124 N GLY A 73 2.664 15.499 -20.430 1.00 53.32 N ATOM 1125 CA GLY A 73 2.897 14.247 -19.734 1.00 51.43 C ATOM 1126 C GLY A 73 4.363 13.861 -19.711 1.00 14.52 C ATOM 1127 O GLY A 73 4.923 13.591 -18.649 1.00 3.14 O ATOM 0 H GLY A 73 1.902 15.477 -21.108 1.00 53.32 H new ATOM 0 HA2 GLY A 73 2.530 14.330 -18.711 1.00 51.43 H new ATOM 0 HA3 GLY A 73 2.323 13.455 -20.215 1.00 51.43 H new ATOM 1131 N ASP A 74 4.984 13.834 -20.884 1.00 43.04 N ATOM 1132 CA ASP A 74 6.394 13.478 -20.995 1.00 21.53 C ATOM 1133 C ASP A 74 7.253 14.379 -20.113 1.00 21.40 C ATOM 1134 O ASP A 74 8.184 13.915 -19.454 1.00 12.12 O ATOM 1135 CB ASP A 74 6.855 13.577 -22.450 1.00 1.34 C ATOM 1136 CG ASP A 74 6.244 12.502 -23.326 1.00 32.43 C ATOM 1137 OD1 ASP A 74 5.469 11.676 -22.798 1.00 44.51 O ATOM 1138 OD2 ASP A 74 6.540 12.484 -24.539 1.00 5.41 O ATOM 0 H ASP A 74 4.534 14.054 -21.772 1.00 43.04 H new ATOM 0 HA ASP A 74 6.511 12.449 -20.655 1.00 21.53 H new ATOM 0 HB2 ASP A 74 6.591 14.558 -22.846 1.00 1.34 H new ATOM 0 HB3 ASP A 74 7.942 13.500 -22.490 1.00 1.34 H new ATOM 1143 N VAL A 75 6.935 15.669 -20.107 1.00 10.22 N ATOM 1144 CA VAL A 75 7.677 16.636 -19.306 1.00 62.34 C ATOM 1145 C VAL A 75 7.596 16.298 -17.822 1.00 63.30 C ATOM 1146 O VAL A 75 8.574 16.441 -17.087 1.00 73.14 O ATOM 1147 CB VAL A 75 7.152 18.067 -19.525 1.00 51.01 C ATOM 1148 CG1 VAL A 75 8.104 19.084 -18.915 1.00 41.54 C ATOM 1149 CG2 VAL A 75 6.947 18.338 -21.008 1.00 12.11 C ATOM 0 H VAL A 75 6.168 16.069 -20.648 1.00 10.22 H new ATOM 0 HA VAL A 75 8.716 16.585 -19.631 1.00 62.34 H new ATOM 0 HB VAL A 75 6.188 18.162 -19.025 1.00 51.01 H new ATOM 0 HG11 VAL A 75 7.717 20.089 -19.080 1.00 41.54 H new ATOM 0 HG12 VAL A 75 8.195 18.901 -17.844 1.00 41.54 H new ATOM 0 HG13 VAL A 75 9.084 18.992 -19.383 1.00 41.54 H new ATOM 0 HG21 VAL A 75 6.576 19.354 -21.144 1.00 12.11 H new ATOM 0 HG22 VAL A 75 7.895 18.225 -21.533 1.00 12.11 H new ATOM 0 HG23 VAL A 75 6.223 17.630 -21.411 1.00 12.11 H new ATOM 1159 N VAL A 76 6.424 15.847 -17.386 1.00 50.33 N ATOM 1160 CA VAL A 76 6.215 15.487 -15.989 1.00 71.32 C ATOM 1161 C VAL A 76 7.200 14.411 -15.546 1.00 4.32 C ATOM 1162 O VAL A 76 7.983 14.617 -14.619 1.00 64.34 O ATOM 1163 CB VAL A 76 4.779 14.983 -15.748 1.00 65.23 C ATOM 1164 CG1 VAL A 76 4.622 14.481 -14.321 1.00 61.32 C ATOM 1165 CG2 VAL A 76 3.772 16.082 -16.050 1.00 31.23 C ATOM 0 H VAL A 76 5.605 15.722 -17.981 1.00 50.33 H new ATOM 0 HA VAL A 76 6.379 16.390 -15.401 1.00 71.32 H new ATOM 0 HB VAL A 76 4.586 14.150 -16.424 1.00 65.23 H new ATOM 0 HG11 VAL A 76 3.602 14.129 -14.169 1.00 61.32 H new ATOM 0 HG12 VAL A 76 5.318 13.661 -14.145 1.00 61.32 H new ATOM 0 HG13 VAL A 76 4.833 15.292 -13.625 1.00 61.32 H new ATOM 0 HG21 VAL A 76 2.763 15.709 -15.875 1.00 31.23 H new ATOM 0 HG22 VAL A 76 3.961 16.937 -15.401 1.00 31.23 H new ATOM 0 HG23 VAL A 76 3.870 16.389 -17.091 1.00 31.23 H new ATOM 1175 N ASN A 77 7.156 13.264 -16.215 1.00 30.43 N ATOM 1176 CA ASN A 77 8.046 12.155 -15.890 1.00 35.45 C ATOM 1177 C ASN A 77 9.488 12.487 -16.261 1.00 14.15 C ATOM 1178 O ASN A 77 10.428 11.893 -15.733 1.00 4.40 O ATOM 1179 CB ASN A 77 7.599 10.885 -16.618 1.00 44.31 C ATOM 1180 CG ASN A 77 7.180 11.158 -18.050 1.00 33.43 C ATOM 1181 OD1 ASN A 77 5.994 11.314 -18.342 1.00 20.33 O ATOM 1182 ND2 ASN A 77 8.154 11.215 -18.951 1.00 14.53 N ATOM 0 H ASN A 77 6.514 13.078 -16.985 1.00 30.43 H new ATOM 0 HA ASN A 77 7.997 11.986 -14.814 1.00 35.45 H new ATOM 0 HB2 ASN A 77 8.413 10.160 -16.612 1.00 44.31 H new ATOM 0 HB3 ASN A 77 6.767 10.434 -16.078 1.00 44.31 H new ATOM 0 HD21 ASN A 77 7.933 11.394 -19.930 1.00 14.53 H new ATOM 0 HD22 ASN A 77 9.123 11.080 -18.664 1.00 14.53 H new ATOM 1189 N PHE A 78 9.654 13.441 -17.171 1.00 74.52 N ATOM 1190 CA PHE A 78 10.981 13.852 -17.614 1.00 13.55 C ATOM 1191 C PHE A 78 11.757 14.504 -16.472 1.00 75.24 C ATOM 1192 O PHE A 78 12.814 14.018 -16.070 1.00 32.53 O ATOM 1193 CB PHE A 78 10.871 14.824 -18.790 1.00 55.32 C ATOM 1194 CG PHE A 78 11.116 14.180 -20.125 1.00 13.13 C ATOM 1195 CD1 PHE A 78 10.716 12.875 -20.363 1.00 31.14 C ATOM 1196 CD2 PHE A 78 11.746 14.880 -21.141 1.00 74.33 C ATOM 1197 CE1 PHE A 78 10.941 12.280 -21.589 1.00 61.34 C ATOM 1198 CE2 PHE A 78 11.973 14.290 -22.370 1.00 61.24 C ATOM 1199 CZ PHE A 78 11.569 12.988 -22.595 1.00 3.30 C ATOM 0 H PHE A 78 8.886 13.944 -17.616 1.00 74.52 H new ATOM 0 HA PHE A 78 11.521 12.962 -17.937 1.00 13.55 H new ATOM 0 HB2 PHE A 78 9.877 15.272 -18.789 1.00 55.32 H new ATOM 0 HB3 PHE A 78 11.587 15.634 -18.650 1.00 55.32 H new ATOM 0 HD1 PHE A 78 10.223 12.317 -19.581 1.00 31.14 H new ATOM 0 HD2 PHE A 78 12.063 15.898 -20.971 1.00 74.33 H new ATOM 0 HE1 PHE A 78 10.626 11.261 -21.761 1.00 61.34 H new ATOM 0 HE2 PHE A 78 12.466 14.846 -23.154 1.00 61.24 H new ATOM 0 HZ PHE A 78 11.744 12.525 -23.555 1.00 3.30 H new ATOM 1209 N ILE A 79 11.224 15.606 -15.957 1.00 10.44 N ATOM 1210 CA ILE A 79 11.865 16.324 -14.862 1.00 44.21 C ATOM 1211 C ILE A 79 12.017 15.433 -13.634 1.00 64.54 C ATOM 1212 O ILE A 79 12.878 15.666 -12.786 1.00 4.41 O ATOM 1213 CB ILE A 79 11.070 17.584 -14.472 1.00 72.03 C ATOM 1214 CG1 ILE A 79 10.911 18.508 -15.681 1.00 45.14 C ATOM 1215 CG2 ILE A 79 11.759 18.313 -13.328 1.00 61.24 C ATOM 1216 CD1 ILE A 79 10.231 19.819 -15.355 1.00 75.21 C ATOM 0 H ILE A 79 10.350 16.021 -16.280 1.00 10.44 H new ATOM 0 HA ILE A 79 12.852 16.622 -15.216 1.00 44.21 H new ATOM 0 HB ILE A 79 10.078 17.280 -14.138 1.00 72.03 H new ATOM 0 HG12 ILE A 79 11.895 18.714 -16.103 1.00 45.14 H new ATOM 0 HG13 ILE A 79 10.336 17.991 -16.450 1.00 45.14 H new ATOM 0 HG21 ILE A 79 11.185 19.201 -13.064 1.00 61.24 H new ATOM 0 HG22 ILE A 79 11.824 17.653 -12.463 1.00 61.24 H new ATOM 0 HG23 ILE A 79 12.762 18.608 -13.636 1.00 61.24 H new ATOM 0 HD11 ILE A 79 10.152 20.423 -16.259 1.00 75.21 H new ATOM 0 HD12 ILE A 79 9.234 19.623 -14.961 1.00 75.21 H new ATOM 0 HD13 ILE A 79 10.816 20.357 -14.609 1.00 75.21 H new ATOM 1228 N LYS A 80 11.176 14.408 -13.547 1.00 24.44 N ATOM 1229 CA LYS A 80 11.218 13.477 -12.425 1.00 12.23 C ATOM 1230 C LYS A 80 12.555 12.745 -12.374 1.00 40.11 C ATOM 1231 O LYS A 80 13.230 12.734 -11.344 1.00 71.34 O ATOM 1232 CB LYS A 80 10.074 12.466 -12.532 1.00 23.21 C ATOM 1233 CG LYS A 80 8.916 12.756 -11.593 1.00 72.24 C ATOM 1234 CD LYS A 80 7.598 12.261 -12.165 1.00 32.31 C ATOM 1235 CE LYS A 80 7.645 10.770 -12.464 1.00 40.24 C ATOM 1236 NZ LYS A 80 8.124 9.984 -11.294 1.00 11.12 N ATOM 0 H LYS A 80 10.457 14.201 -14.240 1.00 24.44 H new ATOM 0 HA LYS A 80 11.103 14.050 -11.505 1.00 12.23 H new ATOM 0 HB2 LYS A 80 9.705 12.455 -13.558 1.00 23.21 H new ATOM 0 HB3 LYS A 80 10.461 11.469 -12.321 1.00 23.21 H new ATOM 0 HG2 LYS A 80 9.098 12.278 -10.630 1.00 72.24 H new ATOM 0 HG3 LYS A 80 8.854 13.829 -11.410 1.00 72.24 H new ATOM 0 HD2 LYS A 80 6.794 12.466 -11.459 1.00 32.31 H new ATOM 0 HD3 LYS A 80 7.368 12.809 -13.078 1.00 32.31 H new ATOM 0 HE2 LYS A 80 6.651 10.426 -12.750 1.00 40.24 H new ATOM 0 HE3 LYS A 80 8.302 10.591 -13.315 1.00 40.24 H new ATOM 0 HZ1 LYS A 80 7.998 8.969 -11.483 1.00 11.12 H new ATOM 0 HZ2 LYS A 80 9.132 10.184 -11.131 1.00 11.12 H new ATOM 0 HZ3 LYS A 80 7.577 10.250 -10.450 1.00 11.12 H new ATOM 1250 N LYS A 81 12.933 12.136 -13.492 1.00 64.35 N ATOM 1251 CA LYS A 81 14.191 11.403 -13.577 1.00 44.44 C ATOM 1252 C LYS A 81 15.375 12.362 -13.662 1.00 14.35 C ATOM 1253 O LYS A 81 16.447 12.089 -13.121 1.00 54.13 O ATOM 1254 CB LYS A 81 14.185 10.477 -14.795 1.00 74.23 C ATOM 1255 CG LYS A 81 13.767 11.167 -16.082 1.00 61.13 C ATOM 1256 CD LYS A 81 14.263 10.414 -17.305 1.00 64.13 C ATOM 1257 CE LYS A 81 14.943 11.346 -18.296 1.00 51.53 C ATOM 1258 NZ LYS A 81 15.888 10.617 -19.186 1.00 61.21 N ATOM 0 H LYS A 81 12.386 12.135 -14.353 1.00 64.35 H new ATOM 0 HA LYS A 81 14.294 10.804 -12.672 1.00 44.44 H new ATOM 0 HB2 LYS A 81 15.182 10.056 -14.926 1.00 74.23 H new ATOM 0 HB3 LYS A 81 13.509 9.643 -14.604 1.00 74.23 H new ATOM 0 HG2 LYS A 81 12.680 11.245 -16.118 1.00 61.13 H new ATOM 0 HG3 LYS A 81 14.160 12.184 -16.095 1.00 61.13 H new ATOM 0 HD2 LYS A 81 14.962 9.637 -16.996 1.00 64.13 H new ATOM 0 HD3 LYS A 81 13.425 9.914 -17.790 1.00 64.13 H new ATOM 0 HE2 LYS A 81 14.187 11.846 -18.901 1.00 51.53 H new ATOM 0 HE3 LYS A 81 15.482 12.123 -17.753 1.00 51.53 H new ATOM 0 HZ1 LYS A 81 16.330 11.288 -19.846 1.00 61.21 H new ATOM 0 HZ2 LYS A 81 16.624 10.161 -18.611 1.00 61.21 H new ATOM 0 HZ3 LYS A 81 15.370 9.893 -19.723 1.00 61.21 H new ATOM 1272 N ARG A 82 15.172 13.487 -14.341 1.00 22.52 N ATOM 1273 CA ARG A 82 16.223 14.486 -14.495 1.00 35.23 C ATOM 1274 C ARG A 82 16.775 14.908 -13.136 1.00 71.33 C ATOM 1275 O ARG A 82 17.988 15.005 -12.950 1.00 41.21 O ATOM 1276 CB ARG A 82 15.687 15.709 -15.242 1.00 31.24 C ATOM 1277 CG ARG A 82 15.841 15.616 -16.751 1.00 12.31 C ATOM 1278 CD ARG A 82 15.554 16.950 -17.423 1.00 30.02 C ATOM 1279 NE ARG A 82 14.129 17.135 -17.685 1.00 44.43 N ATOM 1280 CZ ARG A 82 13.635 18.165 -18.364 1.00 60.42 C ATOM 1281 NH1 ARG A 82 14.446 19.096 -18.847 1.00 22.31 N ATOM 1282 NH2 ARG A 82 12.327 18.264 -18.562 1.00 33.31 N ATOM 0 H ARG A 82 14.290 13.729 -14.793 1.00 22.52 H new ATOM 0 HA ARG A 82 17.032 14.040 -15.074 1.00 35.23 H new ATOM 0 HB2 ARG A 82 14.632 15.838 -15.000 1.00 31.24 H new ATOM 0 HB3 ARG A 82 16.207 16.598 -14.886 1.00 31.24 H new ATOM 0 HG2 ARG A 82 16.853 15.294 -16.995 1.00 12.31 H new ATOM 0 HG3 ARG A 82 15.163 14.857 -17.141 1.00 12.31 H new ATOM 0 HD2 ARG A 82 15.914 17.760 -16.789 1.00 30.02 H new ATOM 0 HD3 ARG A 82 16.106 17.010 -18.361 1.00 30.02 H new ATOM 0 HE ARG A 82 13.478 16.436 -17.328 1.00 44.43 H new ATOM 0 HH11 ARG A 82 15.452 19.023 -18.698 1.00 22.31 H new ATOM 0 HH12 ARG A 82 14.064 19.885 -19.368 1.00 22.31 H new ATOM 0 HH21 ARG A 82 11.700 17.549 -18.193 1.00 33.31 H new ATOM 0 HH22 ARG A 82 11.949 19.055 -19.083 1.00 33.31 H new ATOM 1296 N LYS A 83 15.877 15.157 -12.190 1.00 15.42 N ATOM 1297 CA LYS A 83 16.272 15.568 -10.848 1.00 2.21 C ATOM 1298 C LYS A 83 16.545 14.354 -9.966 1.00 10.35 C ATOM 1299 O LYS A 83 17.544 14.307 -9.250 1.00 2.25 O ATOM 1300 CB LYS A 83 15.182 16.437 -10.216 1.00 22.20 C ATOM 1301 CG LYS A 83 15.657 17.226 -9.008 1.00 62.03 C ATOM 1302 CD LYS A 83 16.533 18.398 -9.418 1.00 12.54 C ATOM 1303 CE LYS A 83 15.714 19.666 -9.609 1.00 74.42 C ATOM 1304 NZ LYS A 83 15.113 19.737 -10.970 1.00 14.12 N ATOM 0 H LYS A 83 14.869 15.081 -12.328 1.00 15.42 H new ATOM 0 HA LYS A 83 17.190 16.150 -10.929 1.00 2.21 H new ATOM 0 HB2 LYS A 83 14.802 17.131 -10.966 1.00 22.20 H new ATOM 0 HB3 LYS A 83 14.348 15.801 -9.919 1.00 22.20 H new ATOM 0 HG2 LYS A 83 14.796 17.592 -8.450 1.00 62.03 H new ATOM 0 HG3 LYS A 83 16.215 16.570 -8.340 1.00 62.03 H new ATOM 0 HD2 LYS A 83 17.296 18.567 -8.658 1.00 12.54 H new ATOM 0 HD3 LYS A 83 17.054 18.157 -10.344 1.00 12.54 H new ATOM 0 HE2 LYS A 83 14.923 19.704 -8.860 1.00 74.42 H new ATOM 0 HE3 LYS A 83 16.349 20.537 -9.446 1.00 74.42 H new ATOM 0 HZ1 LYS A 83 14.954 20.732 -11.228 1.00 14.12 H new ATOM 0 HZ2 LYS A 83 15.759 19.300 -11.658 1.00 14.12 H new ATOM 0 HZ3 LYS A 83 14.206 19.229 -10.976 1.00 14.12 H new ATOM 1318 N GLY A 84 15.650 13.373 -10.023 1.00 73.24 N ATOM 1319 CA GLY A 84 15.813 12.172 -9.226 1.00 22.43 C ATOM 1320 C GLY A 84 15.512 10.910 -10.010 1.00 22.45 C ATOM 1321 O GLY A 84 16.411 10.305 -10.595 1.00 13.41 O ATOM 0 H GLY A 84 14.814 13.389 -10.608 1.00 73.24 H new ATOM 0 HA2 GLY A 84 16.834 12.126 -8.848 1.00 22.43 H new ATOM 0 HA3 GLY A 84 15.154 12.223 -8.359 1.00 22.43 H new TER 1325 GLY A 84