USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 137:sc= -6.03! (180deg=-0.783) USER MOD Set 1.2: A 84 MET CE :methyl 177:sc= -10.6! (180deg=-3.48!) USER MOD Set 2.1: A 9 THR OG1 : rot -130:sc= -2.08! USER MOD Set 2.2: A 16 CYS SG : rot 19:sc= -0.161 USER MOD Set 3.1: A 4 ASN : amide:sc= -20.6! C(o=-46!,f=-53!) USER MOD Set 3.2: A 62 ASN : amide:sc= -25.2! C(o=-46!,f=-54!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.675 (180deg=-3.03!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 115:sc= -1.1 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -3.12! USER MOD Single : A 15 TYR OH : rot 180:sc= -3.04! USER MOD Single : A 18 MET CE :methyl 136:sc= -1.97 (180deg=-5.37!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -12! (180deg=-12.5!) USER MOD Single : A 42 MET CE :methyl -170:sc= 0 (180deg=-0.166) USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= -11.9! (180deg=-15.7!) USER MOD Single : A 51 TYR OH : rot -165:sc= -6.16! USER MOD Single : A 54 MET CE :methyl 144:sc= -0.412 (180deg=-1.68!) USER MOD Single : A 72 SER OG : rot -83:sc= 0.182 USER MOD Single : A 81 ASN : amide:sc= -5.22! C(o=-5.2!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.269 -3.044 9.777 1.00 0.00 N ATOM 2 CA MET A 1 -10.670 -2.463 8.541 1.00 0.00 C ATOM 3 C MET A 1 -10.909 -3.394 7.350 1.00 0.00 C ATOM 4 O MET A 1 -10.358 -4.475 7.274 1.00 0.00 O ATOM 5 CB MET A 1 -9.176 -2.349 8.842 1.00 0.00 C ATOM 6 CG MET A 1 -8.439 -1.861 7.593 1.00 0.00 C ATOM 7 SD MET A 1 -6.936 -0.980 8.085 1.00 0.00 S ATOM 8 CE MET A 1 -6.428 -2.116 9.400 1.00 0.00 C ATOM 0 H1 MET A 1 -11.100 -2.403 10.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.293 -3.167 9.642 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.832 -3.967 9.974 1.00 0.00 H new ATOM 0 HA MET A 1 -11.108 -1.499 8.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.012 -1.656 9.668 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.782 -3.316 9.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.185 -2.707 6.954 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.084 -1.204 7.010 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.353 -2.032 9.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.952 -1.863 10.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.673 -3.138 9.112 1.00 0.00 H new ATOM 20 N VAL A 2 -11.726 -2.984 6.419 1.00 0.00 N ATOM 21 CA VAL A 2 -11.999 -3.846 5.234 1.00 0.00 C ATOM 22 C VAL A 2 -10.870 -3.700 4.215 1.00 0.00 C ATOM 23 O VAL A 2 -9.887 -4.412 4.250 1.00 0.00 O ATOM 24 CB VAL A 2 -13.304 -3.318 4.643 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.322 -1.791 4.727 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.403 -3.751 3.178 1.00 0.00 C ATOM 0 H VAL A 2 -12.216 -2.090 6.427 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.069 -4.900 5.502 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.149 -3.719 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.254 -1.414 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.245 -1.483 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.480 -1.386 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.333 -3.377 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.558 -3.346 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.388 -4.839 3.118 1.00 0.00 H new ATOM 36 N VAL A 3 -11.048 -2.826 3.260 1.00 0.00 N ATOM 37 CA VAL A 3 -10.000 -2.612 2.227 1.00 0.00 C ATOM 38 C VAL A 3 -9.025 -1.531 2.679 1.00 0.00 C ATOM 39 O VAL A 3 -9.351 -0.348 2.622 1.00 0.00 O ATOM 40 CB VAL A 3 -10.791 -2.202 0.997 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.836 -1.715 -0.091 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.591 -3.398 0.482 1.00 0.00 C ATOM 0 H VAL A 3 -11.882 -2.248 3.153 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.384 -3.491 2.036 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.475 -1.395 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.407 -1.422 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.271 -0.858 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.147 -2.517 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.159 -3.103 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.909 -4.207 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.277 -3.738 1.258 1.00 0.00 H new ATOM 52 N ASN A 4 -7.789 -1.894 2.968 1.00 0.00 N ATOM 53 CA ASN A 4 -6.839 -0.798 3.349 1.00 0.00 C ATOM 54 C ASN A 4 -5.526 -1.054 2.600 1.00 0.00 C ATOM 55 O ASN A 4 -4.773 -1.948 2.816 1.00 0.00 O ATOM 56 CB ASN A 4 -6.559 -1.097 4.862 1.00 0.00 C ATOM 57 CG ASN A 4 -5.846 0.111 5.471 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.058 -0.030 6.385 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.090 1.303 4.998 1.00 0.00 N ATOM 0 H ASN A 4 -7.416 -2.843 2.958 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.209 0.206 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.493 -1.291 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.944 -1.991 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.619 2.116 5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.751 1.422 4.231 1.00 0.00 H new ATOM 66 N ILE A 5 -5.298 -0.227 1.622 1.00 0.00 N ATOM 67 CA ILE A 5 -4.090 -0.282 0.772 1.00 0.00 C ATOM 68 C ILE A 5 -3.265 0.979 0.882 1.00 0.00 C ATOM 69 O ILE A 5 -3.872 2.055 0.707 1.00 0.00 O ATOM 70 CB ILE A 5 -4.516 -0.674 -0.603 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.041 -0.799 -0.634 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.888 -2.006 -1.024 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.462 -2.134 -0.018 1.00 0.00 C ATOM 0 H ILE A 5 -5.940 0.524 1.369 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.392 -1.046 1.115 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.181 0.093 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.494 0.025 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.400 -0.732 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.219 -2.262 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.802 -1.916 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.196 -2.789 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.548 -2.219 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.021 -2.952 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.117 -2.183 1.015 1.00 0.00 H new ATOM 85 N GLU A 6 -1.954 0.933 0.984 1.00 0.00 N ATOM 86 CA GLU A 6 -1.311 2.286 0.940 1.00 0.00 C ATOM 87 C GLU A 6 -0.152 2.056 -0.053 1.00 0.00 C ATOM 88 O GLU A 6 0.936 1.619 0.190 1.00 0.00 O ATOM 89 CB GLU A 6 -0.666 2.316 2.413 1.00 0.00 C ATOM 90 CG GLU A 6 -0.568 3.779 2.844 1.00 0.00 C ATOM 91 CD GLU A 6 -0.719 3.879 4.362 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.479 3.103 4.916 1.00 0.00 O ATOM 93 OE2 GLU A 6 -0.070 4.731 4.947 1.00 0.00 O ATOM 0 H GLU A 6 -1.355 0.113 1.085 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.919 3.155 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.282 1.751 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.320 1.851 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.391 4.196 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.344 4.366 2.352 1.00 0.00 H new ATOM 100 N VAL A 7 -0.237 2.971 -1.097 1.00 0.00 N ATOM 101 CA VAL A 7 0.803 2.780 -2.144 1.00 0.00 C ATOM 102 C VAL A 7 1.637 4.073 -1.989 1.00 0.00 C ATOM 103 O VAL A 7 1.280 5.178 -2.115 1.00 0.00 O ATOM 104 CB VAL A 7 0.045 2.980 -3.523 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.193 2.084 -3.544 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.384 4.440 -3.726 1.00 0.00 C ATOM 0 H VAL A 7 -0.909 3.729 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 7 1.352 1.840 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 7 0.727 2.714 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.721 2.215 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.890 1.042 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.852 2.355 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.900 4.538 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.054 4.738 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.497 5.082 -3.722 1.00 0.00 H new ATOM 116 N PHE A 8 2.879 3.789 -1.467 1.00 0.00 N ATOM 117 CA PHE A 8 3.778 4.957 -1.227 1.00 0.00 C ATOM 118 C PHE A 8 5.017 4.811 -2.112 1.00 0.00 C ATOM 119 O PHE A 8 6.036 4.274 -1.727 1.00 0.00 O ATOM 120 CB PHE A 8 4.148 4.752 0.270 1.00 0.00 C ATOM 121 CG PHE A 8 5.502 5.356 0.564 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.599 6.701 0.934 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.656 4.569 0.478 1.00 0.00 C ATOM 124 CE1 PHE A 8 6.850 7.261 1.213 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.908 5.128 0.760 1.00 0.00 C ATOM 126 CZ PHE A 8 8.004 6.474 1.128 1.00 0.00 C ATOM 0 H PHE A 8 3.245 2.867 -1.229 1.00 0.00 H new ATOM 0 HA PHE A 8 3.346 5.934 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.391 5.213 0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.158 3.688 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.708 7.307 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.581 3.530 0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.925 8.301 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.799 4.521 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.969 6.906 1.347 1.00 0.00 H new ATOM 136 N THR A 9 4.989 5.464 -3.244 1.00 0.00 N ATOM 137 CA THR A 9 6.155 5.414 -4.166 1.00 0.00 C ATOM 138 C THR A 9 6.610 6.841 -4.455 1.00 0.00 C ATOM 139 O THR A 9 7.661 7.267 -4.017 1.00 0.00 O ATOM 140 CB THR A 9 5.655 4.735 -5.446 1.00 0.00 C ATOM 141 OG1 THR A 9 4.643 3.794 -5.118 1.00 0.00 O ATOM 142 CG2 THR A 9 6.819 4.019 -6.133 1.00 0.00 C ATOM 0 H THR A 9 4.205 6.031 -3.568 1.00 0.00 H new ATOM 0 HA THR A 9 6.999 4.867 -3.745 1.00 0.00 H new ATOM 0 HB THR A 9 5.245 5.487 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.845 2.935 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.463 3.536 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.594 4.743 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.231 3.267 -5.461 1.00 0.00 H new ATOM 150 N SER A 10 5.824 7.594 -5.176 1.00 0.00 N ATOM 151 CA SER A 10 6.216 9.000 -5.473 1.00 0.00 C ATOM 152 C SER A 10 5.155 9.687 -6.337 1.00 0.00 C ATOM 153 O SER A 10 4.424 9.040 -7.061 1.00 0.00 O ATOM 154 CB SER A 10 7.540 8.893 -6.228 1.00 0.00 C ATOM 155 OG SER A 10 7.279 8.794 -7.622 1.00 0.00 O ATOM 0 H SER A 10 4.931 7.297 -5.570 1.00 0.00 H new ATOM 0 HA SER A 10 6.311 9.597 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.160 9.766 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.097 8.020 -5.888 1.00 0.00 H new ATOM 0 HG SER A 10 7.631 9.587 -8.078 1.00 0.00 H new ATOM 161 N PRO A 11 5.111 10.988 -6.224 1.00 0.00 N ATOM 162 CA PRO A 11 4.135 11.791 -6.998 1.00 0.00 C ATOM 163 C PRO A 11 4.592 11.932 -8.453 1.00 0.00 C ATOM 164 O PRO A 11 3.791 12.099 -9.352 1.00 0.00 O ATOM 165 CB PRO A 11 4.148 13.144 -6.295 1.00 0.00 C ATOM 166 CG PRO A 11 5.489 13.232 -5.635 1.00 0.00 C ATOM 167 CD PRO A 11 5.961 11.823 -5.370 1.00 0.00 C ATOM 0 HA PRO A 11 3.143 11.341 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.005 13.958 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.344 13.215 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.197 13.759 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.421 13.795 -4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.015 11.703 -5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.851 11.558 -4.319 1.00 0.00 H new ATOM 175 N THR A 12 5.872 11.866 -8.690 1.00 0.00 N ATOM 176 CA THR A 12 6.379 11.998 -10.086 1.00 0.00 C ATOM 177 C THR A 12 6.212 10.671 -10.830 1.00 0.00 C ATOM 178 O THR A 12 6.278 10.613 -12.042 1.00 0.00 O ATOM 179 CB THR A 12 7.861 12.347 -9.938 1.00 0.00 C ATOM 180 OG1 THR A 12 7.985 13.664 -9.418 1.00 0.00 O ATOM 181 CG2 THR A 12 8.544 12.271 -11.305 1.00 0.00 C ATOM 0 H THR A 12 6.590 11.726 -7.979 1.00 0.00 H new ATOM 0 HA THR A 12 5.838 12.755 -10.655 1.00 0.00 H new ATOM 0 HB THR A 12 8.335 11.640 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.934 13.889 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.600 12.520 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.448 11.261 -11.704 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.072 12.978 -11.987 1.00 0.00 H new ATOM 189 N CYS A 13 5.991 9.606 -10.111 1.00 0.00 N ATOM 190 CA CYS A 13 5.812 8.282 -10.773 1.00 0.00 C ATOM 191 C CYS A 13 4.485 7.657 -10.338 1.00 0.00 C ATOM 192 O CYS A 13 3.745 8.240 -9.571 1.00 0.00 O ATOM 193 CB CYS A 13 6.989 7.435 -10.288 1.00 0.00 C ATOM 194 SG CYS A 13 7.934 6.845 -11.714 1.00 0.00 S ATOM 0 H CYS A 13 5.926 9.594 -9.093 1.00 0.00 H new ATOM 0 HA CYS A 13 5.789 8.359 -11.860 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.630 8.025 -9.632 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.626 6.590 -9.703 1.00 0.00 H new ATOM 0 HG CYS A 13 8.936 6.127 -11.303 1.00 0.00 H new ATOM 200 N PRO A 14 4.228 6.486 -10.849 1.00 0.00 N ATOM 201 CA PRO A 14 2.980 5.768 -10.513 1.00 0.00 C ATOM 202 C PRO A 14 3.142 5.006 -9.195 1.00 0.00 C ATOM 203 O PRO A 14 3.832 4.008 -9.126 1.00 0.00 O ATOM 204 CB PRO A 14 2.810 4.798 -11.676 1.00 0.00 C ATOM 205 CG PRO A 14 4.191 4.574 -12.219 1.00 0.00 C ATOM 206 CD PRO A 14 5.063 5.729 -11.783 1.00 0.00 C ATOM 0 HA PRO A 14 2.124 6.430 -10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.363 3.861 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.151 5.212 -12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.596 3.632 -11.850 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.165 4.506 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.977 5.378 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.364 6.342 -12.633 1.00 0.00 H new ATOM 214 N TYR A 15 2.511 5.466 -8.148 1.00 0.00 N ATOM 215 CA TYR A 15 2.631 4.762 -6.840 1.00 0.00 C ATOM 216 C TYR A 15 2.361 3.263 -7.030 1.00 0.00 C ATOM 217 O TYR A 15 3.075 2.580 -7.737 1.00 0.00 O ATOM 218 CB TYR A 15 1.558 5.394 -5.951 1.00 0.00 C ATOM 219 CG TYR A 15 1.482 6.876 -6.226 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.412 7.745 -5.641 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.482 7.382 -7.063 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.341 9.120 -5.896 1.00 0.00 C ATOM 223 CE2 TYR A 15 0.410 8.757 -7.318 1.00 0.00 C ATOM 224 CZ TYR A 15 1.340 9.626 -6.735 1.00 0.00 C ATOM 225 OH TYR A 15 1.269 10.981 -6.985 1.00 0.00 O ATOM 0 H TYR A 15 1.919 6.297 -8.142 1.00 0.00 H new ATOM 0 HA TYR A 15 3.625 4.857 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.591 4.928 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.793 5.220 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.183 7.355 -4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.235 6.712 -7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.058 9.790 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.363 9.147 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 15 0.518 11.164 -7.587 1.00 0.00 H new ATOM 235 N CYS A 16 1.331 2.747 -6.410 1.00 0.00 N ATOM 236 CA CYS A 16 1.015 1.293 -6.563 1.00 0.00 C ATOM 237 C CYS A 16 -0.475 1.039 -6.292 1.00 0.00 C ATOM 238 O CYS A 16 -0.833 0.066 -5.658 1.00 0.00 O ATOM 239 CB CYS A 16 1.876 0.589 -5.515 1.00 0.00 C ATOM 240 SG CYS A 16 3.561 0.399 -6.150 1.00 0.00 S ATOM 0 H CYS A 16 0.696 3.268 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 16 1.219 0.932 -7.571 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.887 1.166 -4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.453 -0.387 -5.277 1.00 0.00 H new ATOM 0 HG CYS A 16 3.749 1.225 -7.136 1.00 0.00 H new ATOM 246 N PRO A 17 -1.293 1.936 -6.775 1.00 0.00 N ATOM 247 CA PRO A 17 -2.763 1.822 -6.578 1.00 0.00 C ATOM 248 C PRO A 17 -3.365 0.760 -7.504 1.00 0.00 C ATOM 249 O PRO A 17 -4.504 0.864 -7.916 1.00 0.00 O ATOM 250 CB PRO A 17 -3.279 3.203 -6.968 1.00 0.00 C ATOM 251 CG PRO A 17 -2.254 3.745 -7.913 1.00 0.00 C ATOM 252 CD PRO A 17 -0.930 3.132 -7.542 1.00 0.00 C ATOM 0 HA PRO A 17 -3.026 1.526 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.259 3.139 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.389 3.845 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.515 3.501 -8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.206 4.832 -7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.347 2.877 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.325 3.818 -6.949 1.00 0.00 H new ATOM 260 N MET A 18 -2.620 -0.253 -7.845 1.00 0.00 N ATOM 261 CA MET A 18 -3.171 -1.301 -8.754 1.00 0.00 C ATOM 262 C MET A 18 -3.391 -2.612 -7.998 1.00 0.00 C ATOM 263 O MET A 18 -4.491 -3.122 -7.927 1.00 0.00 O ATOM 264 CB MET A 18 -2.109 -1.484 -9.836 1.00 0.00 C ATOM 265 CG MET A 18 -2.043 -2.955 -10.246 1.00 0.00 C ATOM 266 SD MET A 18 -1.771 -3.072 -12.032 1.00 0.00 S ATOM 267 CE MET A 18 -0.434 -1.857 -12.138 1.00 0.00 C ATOM 0 H MET A 18 -1.659 -0.402 -7.537 1.00 0.00 H new ATOM 0 HA MET A 18 -4.137 -1.012 -9.168 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.347 -0.865 -10.701 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.138 -1.155 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.237 -3.457 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.969 -3.461 -9.974 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.357 -2.242 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.820 -0.926 -12.554 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.032 -1.670 -11.142 1.00 0.00 H new ATOM 277 N ALA A 19 -2.351 -3.160 -7.437 1.00 0.00 N ATOM 278 CA ALA A 19 -2.506 -4.440 -6.694 1.00 0.00 C ATOM 279 C ALA A 19 -3.555 -4.285 -5.598 1.00 0.00 C ATOM 280 O ALA A 19 -4.101 -5.250 -5.102 1.00 0.00 O ATOM 281 CB ALA A 19 -1.133 -4.688 -6.068 1.00 0.00 C ATOM 0 H ALA A 19 -1.405 -2.780 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.828 -5.259 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.155 -5.617 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.383 -4.763 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.881 -3.861 -5.404 1.00 0.00 H new ATOM 287 N ILE A 20 -3.854 -3.071 -5.233 1.00 0.00 N ATOM 288 CA ILE A 20 -4.877 -2.851 -4.175 1.00 0.00 C ATOM 289 C ILE A 20 -6.271 -3.077 -4.748 1.00 0.00 C ATOM 290 O ILE A 20 -7.131 -3.651 -4.112 1.00 0.00 O ATOM 291 CB ILE A 20 -4.704 -1.394 -3.744 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.589 -0.495 -4.612 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.241 -0.980 -3.912 1.00 0.00 C ATOM 294 CD1 ILE A 20 -7.053 -0.672 -4.205 1.00 0.00 C ATOM 0 H ILE A 20 -3.436 -2.225 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.758 -3.536 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.993 -1.290 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.292 0.547 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.460 -0.747 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.119 0.059 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.609 -1.618 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.951 -1.085 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.682 -0.032 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.346 -1.713 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.175 -0.398 -3.157 1.00 0.00 H new ATOM 306 N GLU A 21 -6.496 -2.649 -5.956 1.00 0.00 N ATOM 307 CA GLU A 21 -7.826 -2.859 -6.582 1.00 0.00 C ATOM 308 C GLU A 21 -8.182 -4.341 -6.493 1.00 0.00 C ATOM 309 O GLU A 21 -9.328 -4.714 -6.349 1.00 0.00 O ATOM 310 CB GLU A 21 -7.669 -2.407 -8.029 1.00 0.00 C ATOM 311 CG GLU A 21 -8.986 -2.616 -8.778 1.00 0.00 C ATOM 312 CD GLU A 21 -8.697 -2.912 -10.251 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.640 -2.517 -10.717 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.535 -3.527 -10.887 1.00 0.00 O ATOM 0 H GLU A 21 -5.814 -2.162 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.625 -2.303 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.383 -1.356 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.871 -2.971 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.542 -3.441 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.611 -1.727 -8.691 1.00 0.00 H new ATOM 321 N VAL A 22 -7.196 -5.192 -6.590 1.00 0.00 N ATOM 322 CA VAL A 22 -7.468 -6.654 -6.495 1.00 0.00 C ATOM 323 C VAL A 22 -7.844 -7.004 -5.058 1.00 0.00 C ATOM 324 O VAL A 22 -8.800 -7.704 -4.804 1.00 0.00 O ATOM 325 CB VAL A 22 -6.162 -7.334 -6.909 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.973 -8.615 -6.097 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.217 -7.678 -8.399 1.00 0.00 C ATOM 0 H VAL A 22 -6.218 -4.939 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.294 -6.975 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.326 -6.660 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.042 -9.099 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.934 -8.370 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.808 -9.290 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.287 -8.163 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.053 -8.352 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.351 -6.765 -8.979 1.00 0.00 H new ATOM 337 N VAL A 23 -7.080 -6.567 -4.119 1.00 0.00 N ATOM 338 CA VAL A 23 -7.371 -6.771 -2.672 1.00 0.00 C ATOM 339 C VAL A 23 -8.722 -6.149 -2.337 1.00 0.00 C ATOM 340 O VAL A 23 -9.390 -6.507 -1.397 1.00 0.00 O ATOM 341 CB VAL A 23 -6.219 -6.265 -1.886 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.749 -5.531 -0.658 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.325 -7.426 -1.440 1.00 0.00 C ATOM 0 H VAL A 23 -6.219 -6.049 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.473 -7.824 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.628 -5.590 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.912 -5.153 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.376 -4.697 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.339 -6.217 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.485 -7.038 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.902 -8.113 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.951 -7.955 -2.317 1.00 0.00 H new ATOM 353 N ASP A 24 -9.010 -5.042 -2.986 1.00 0.00 N ATOM 354 CA ASP A 24 -10.276 -4.320 -2.719 1.00 0.00 C ATOM 355 C ASP A 24 -11.436 -5.159 -3.221 1.00 0.00 C ATOM 356 O ASP A 24 -12.479 -5.265 -2.617 1.00 0.00 O ATOM 357 CB ASP A 24 -10.163 -3.007 -3.472 1.00 0.00 C ATOM 358 CG ASP A 24 -11.134 -1.985 -2.879 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.299 -2.318 -2.736 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.697 -0.886 -2.582 1.00 0.00 O ATOM 0 H ASP A 24 -8.411 -4.613 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.449 -4.136 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.142 -2.630 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.384 -3.162 -4.528 1.00 0.00 H new ATOM 365 N GLU A 25 -11.238 -5.736 -4.370 1.00 0.00 N ATOM 366 CA GLU A 25 -12.277 -6.593 -4.976 1.00 0.00 C ATOM 367 C GLU A 25 -12.653 -7.705 -3.999 1.00 0.00 C ATOM 368 O GLU A 25 -13.807 -7.998 -3.774 1.00 0.00 O ATOM 369 CB GLU A 25 -11.615 -7.148 -6.232 1.00 0.00 C ATOM 370 CG GLU A 25 -12.438 -6.765 -7.464 1.00 0.00 C ATOM 371 CD GLU A 25 -11.962 -5.413 -7.996 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.415 -4.650 -7.216 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.152 -5.161 -9.175 1.00 0.00 O ATOM 0 H GLU A 25 -10.384 -5.645 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.200 -6.063 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.602 -6.756 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.532 -8.233 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.334 -7.528 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.496 -6.714 -7.206 1.00 0.00 H new ATOM 380 N ALA A 26 -11.664 -8.356 -3.451 1.00 0.00 N ATOM 381 CA ALA A 26 -11.927 -9.448 -2.471 1.00 0.00 C ATOM 382 C ALA A 26 -12.278 -8.885 -1.101 1.00 0.00 C ATOM 383 O ALA A 26 -13.154 -9.367 -0.417 1.00 0.00 O ATOM 384 CB ALA A 26 -10.632 -10.239 -2.413 1.00 0.00 C ATOM 0 H ALA A 26 -10.678 -8.177 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.775 -10.065 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.742 -11.065 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.401 -10.632 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.822 -9.588 -2.084 1.00 0.00 H new ATOM 390 N LYS A 27 -11.591 -7.826 -0.705 1.00 0.00 N ATOM 391 CA LYS A 27 -11.892 -7.289 0.646 1.00 0.00 C ATOM 392 C LYS A 27 -13.250 -6.592 0.613 1.00 0.00 C ATOM 393 O LYS A 27 -13.918 -6.487 1.629 1.00 0.00 O ATOM 394 CB LYS A 27 -10.789 -6.205 0.848 1.00 0.00 C ATOM 395 CG LYS A 27 -9.531 -6.880 1.401 1.00 0.00 C ATOM 396 CD LYS A 27 -9.927 -8.057 2.298 1.00 0.00 C ATOM 397 CE LYS A 27 -10.152 -9.308 1.439 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.787 -9.739 1.025 1.00 0.00 N ATOM 0 H LYS A 27 -10.871 -7.339 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.912 -8.054 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.568 -5.711 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.138 -5.435 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.904 -7.230 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.940 -6.161 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.145 -8.245 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.835 -7.816 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.659 -10.090 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.776 -9.086 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.708 -10.772 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.620 -9.461 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.079 -9.285 1.637 1.00 0.00 H new ATOM 412 N LYS A 28 -13.744 -6.291 -0.551 1.00 0.00 N ATOM 413 CA LYS A 28 -15.101 -5.697 -0.652 1.00 0.00 C ATOM 414 C LYS A 28 -16.107 -6.798 -0.342 1.00 0.00 C ATOM 415 O LYS A 28 -17.045 -6.623 0.411 1.00 0.00 O ATOM 416 CB LYS A 28 -15.231 -5.265 -2.107 1.00 0.00 C ATOM 417 CG LYS A 28 -15.399 -3.747 -2.182 1.00 0.00 C ATOM 418 CD LYS A 28 -16.348 -3.393 -3.328 1.00 0.00 C ATOM 419 CE LYS A 28 -15.742 -3.855 -4.655 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.905 -4.027 -5.569 1.00 0.00 N ATOM 0 H LYS A 28 -13.265 -6.431 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.268 -4.862 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.347 -5.571 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.087 -5.758 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.793 -3.367 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.431 -3.271 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.316 -3.869 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.522 -2.317 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.038 -3.120 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.193 -4.789 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.570 -4.343 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.554 -4.738 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.404 -3.120 -5.670 1.00 0.00 H new ATOM 434 N GLU A 29 -15.865 -7.958 -0.893 1.00 0.00 N ATOM 435 CA GLU A 29 -16.776 -9.103 -0.656 1.00 0.00 C ATOM 436 C GLU A 29 -16.977 -9.301 0.845 1.00 0.00 C ATOM 437 O GLU A 29 -18.089 -9.509 1.306 1.00 0.00 O ATOM 438 CB GLU A 29 -15.966 -10.294 -1.208 1.00 0.00 C ATOM 439 CG GLU A 29 -15.627 -11.283 -0.089 1.00 0.00 C ATOM 440 CD GLU A 29 -16.783 -12.268 0.094 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.912 -11.879 -0.158 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.520 -13.394 0.482 1.00 0.00 O ATOM 0 H GLU A 29 -15.070 -8.157 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.759 -8.977 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.538 -10.800 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.048 -9.932 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.712 -11.822 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.443 -10.746 0.841 1.00 0.00 H new ATOM 449 N PHE A 30 -15.990 -9.014 1.616 1.00 0.00 N ATOM 450 CA PHE A 30 -16.092 -9.192 3.094 1.00 0.00 C ATOM 451 C PHE A 30 -16.519 -7.793 3.582 1.00 0.00 C ATOM 452 O PHE A 30 -17.475 -7.689 4.367 1.00 0.00 O ATOM 453 CB PHE A 30 -14.700 -9.586 3.583 1.00 0.00 C ATOM 454 CG PHE A 30 -14.199 -8.577 4.587 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.955 -8.291 5.730 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.976 -7.928 4.377 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.490 -7.355 6.662 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.511 -6.992 5.308 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.267 -6.706 6.451 1.00 0.00 C ATOM 0 H PHE A 30 -15.092 -8.655 1.291 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.789 -9.954 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.732 -10.577 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.012 -9.644 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.897 -8.793 5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.391 -8.150 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.074 -7.134 7.543 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.569 -6.490 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.907 -5.985 7.170 1.00 0.00 H new ATOM 469 N GLY A 31 -15.685 -6.838 3.509 1.00 0.00 N ATOM 470 CA GLY A 31 -15.953 -5.417 3.857 1.00 0.00 C ATOM 471 C GLY A 31 -16.771 -4.603 2.876 1.00 0.00 C ATOM 472 O GLY A 31 -16.080 -3.765 2.219 1.00 0.00 O ATOM 0 H GLY A 31 -14.727 -6.986 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.463 -5.396 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.994 -4.917 3.993 1.00 0.00 H new ATOM 476 N ASP A 32 -17.977 -4.812 2.603 1.00 0.00 N ATOM 477 CA ASP A 32 -18.643 -4.006 1.545 1.00 0.00 C ATOM 478 C ASP A 32 -18.034 -2.601 1.485 1.00 0.00 C ATOM 479 O ASP A 32 -18.087 -1.940 0.466 1.00 0.00 O ATOM 480 CB ASP A 32 -20.118 -3.923 2.036 1.00 0.00 C ATOM 481 CG ASP A 32 -20.671 -2.519 1.782 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.353 -1.957 0.747 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.404 -2.030 2.626 1.00 0.00 O ATOM 0 H ASP A 32 -18.567 -5.510 3.056 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.540 -4.438 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.726 -4.663 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.171 -4.158 3.099 1.00 0.00 H new ATOM 488 N LYS A 33 -17.554 -2.093 2.555 1.00 0.00 N ATOM 489 CA LYS A 33 -16.819 -0.801 2.647 1.00 0.00 C ATOM 490 C LYS A 33 -15.404 -0.861 2.113 1.00 0.00 C ATOM 491 O LYS A 33 -14.765 -1.901 2.307 1.00 0.00 O ATOM 492 CB LYS A 33 -16.973 -0.282 4.017 1.00 0.00 C ATOM 493 CG LYS A 33 -18.048 -1.088 4.747 1.00 0.00 C ATOM 494 CD LYS A 33 -17.390 -2.239 5.510 1.00 0.00 C ATOM 495 CE LYS A 33 -17.738 -2.132 6.997 1.00 0.00 C ATOM 496 NZ LYS A 33 -18.297 -3.465 7.357 1.00 0.00 N ATOM 0 H LYS A 33 -17.644 -2.556 3.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.262 -0.071 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.026 -0.350 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.249 0.772 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.594 -0.445 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.773 -1.478 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.733 -3.195 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.309 -2.207 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.856 -1.899 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.463 -1.338 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.560 -3.471 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.139 -3.656 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.582 -4.200 7.182 1.00 0.00 H new ATOM 510 N ILE A 34 -14.851 0.180 1.582 1.00 0.00 N ATOM 511 CA ILE A 34 -13.417 0.092 1.182 1.00 0.00 C ATOM 512 C ILE A 34 -12.631 1.300 1.718 1.00 0.00 C ATOM 513 O ILE A 34 -13.163 2.353 1.984 1.00 0.00 O ATOM 514 CB ILE A 34 -13.476 0.164 -0.357 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.371 -1.254 -0.921 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.312 1.007 -0.882 1.00 0.00 C ATOM 517 CD1 ILE A 34 -14.101 -2.227 0.006 1.00 0.00 C ATOM 0 H ILE A 34 -15.310 1.074 1.407 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.926 -0.803 1.565 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.415 0.622 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.805 -1.292 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.324 -1.542 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.359 1.054 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.378 2.015 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.368 0.553 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.026 -3.238 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.647 -2.196 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.151 -1.942 0.079 1.00 0.00 H new ATOM 529 N ASP A 35 -11.340 1.130 1.864 1.00 0.00 N ATOM 530 CA ASP A 35 -10.489 2.227 2.393 1.00 0.00 C ATOM 531 C ASP A 35 -9.089 2.060 1.806 1.00 0.00 C ATOM 532 O ASP A 35 -8.150 1.703 2.498 1.00 0.00 O ATOM 533 CB ASP A 35 -10.471 2.041 3.913 1.00 0.00 C ATOM 534 CG ASP A 35 -10.018 3.339 4.585 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.375 4.134 3.920 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.324 3.515 5.753 1.00 0.00 O ATOM 0 H ASP A 35 -10.841 0.270 1.636 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.854 3.221 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.464 1.764 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.798 1.227 4.182 1.00 0.00 H new ATOM 541 N VAL A 36 -8.903 2.481 0.562 1.00 0.00 N ATOM 542 CA VAL A 36 -7.543 2.256 -0.003 1.00 0.00 C ATOM 543 C VAL A 36 -6.837 3.620 0.118 1.00 0.00 C ATOM 544 O VAL A 36 -7.150 4.622 -0.447 1.00 0.00 O ATOM 545 CB VAL A 36 -7.835 1.997 -1.533 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.515 1.710 -2.250 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.754 0.780 -1.650 1.00 0.00 C ATOM 0 H VAL A 36 -9.588 2.938 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.960 1.461 0.463 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.311 2.868 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.707 1.530 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.849 2.566 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.047 0.829 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.967 0.585 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.264 -0.089 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.686 0.976 -1.121 1.00 0.00 H new ATOM 557 N GLU A 37 -5.623 3.529 0.756 1.00 0.00 N ATOM 558 CA GLU A 37 -4.946 4.853 0.955 1.00 0.00 C ATOM 559 C GLU A 37 -3.706 4.785 0.021 1.00 0.00 C ATOM 560 O GLU A 37 -3.144 3.795 -0.301 1.00 0.00 O ATOM 561 CB GLU A 37 -4.347 4.721 2.425 1.00 0.00 C ATOM 562 CG GLU A 37 -5.503 4.831 3.419 1.00 0.00 C ATOM 563 CD GLU A 37 -5.993 6.279 3.470 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.895 6.953 2.458 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.457 6.689 4.521 1.00 0.00 O ATOM 0 H GLU A 37 -5.152 2.690 1.095 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.573 5.729 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.833 3.767 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.611 5.504 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.317 4.170 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.178 4.510 4.409 1.00 0.00 H new ATOM 572 N LYS A 38 -3.370 5.917 -0.512 1.00 0.00 N ATOM 573 CA LYS A 38 -2.371 6.071 -1.585 1.00 0.00 C ATOM 574 C LYS A 38 -1.434 7.273 -1.454 1.00 0.00 C ATOM 575 O LYS A 38 -2.001 8.383 -1.366 1.00 0.00 O ATOM 576 CB LYS A 38 -2.990 6.009 -2.917 1.00 0.00 C ATOM 577 CG LYS A 38 -4.043 7.113 -2.962 1.00 0.00 C ATOM 578 CD LYS A 38 -5.432 6.503 -2.764 1.00 0.00 C ATOM 579 CE LYS A 38 -5.559 5.237 -3.616 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.312 4.112 -2.672 1.00 0.00 N ATOM 0 H LYS A 38 -3.782 6.803 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.715 5.209 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.244 6.154 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.445 5.033 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.844 7.851 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.997 7.635 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.589 6.264 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.201 7.223 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.548 5.163 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.835 5.235 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.014 3.270 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.564 4.380 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.186 3.899 -2.150 1.00 0.00 H new ATOM 594 N ILE A 39 -0.202 7.162 -1.136 1.00 0.00 N ATOM 595 CA ILE A 39 0.673 8.364 -1.004 1.00 0.00 C ATOM 596 C ILE A 39 2.002 8.202 -1.753 1.00 0.00 C ATOM 597 O ILE A 39 2.280 7.169 -2.330 1.00 0.00 O ATOM 598 CB ILE A 39 0.934 8.457 0.473 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.515 7.146 1.143 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.134 9.614 1.073 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.413 6.009 0.651 1.00 0.00 C ATOM 0 H ILE A 39 0.265 6.274 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 39 0.200 9.250 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 39 1.996 8.634 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.590 7.239 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.527 6.925 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.329 9.674 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.432 10.548 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.930 9.445 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.114 5.076 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.316 5.910 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.450 6.229 0.903 1.00 0.00 H new ATOM 613 N ASP A 40 2.725 9.275 -1.927 1.00 0.00 N ATOM 614 CA ASP A 40 4.061 9.233 -2.580 1.00 0.00 C ATOM 615 C ASP A 40 5.219 9.213 -1.591 1.00 0.00 C ATOM 616 O ASP A 40 5.031 9.443 -0.415 1.00 0.00 O ATOM 617 CB ASP A 40 4.044 10.413 -3.498 1.00 0.00 C ATOM 618 CG ASP A 40 4.450 11.647 -2.697 1.00 0.00 C ATOM 619 OD1 ASP A 40 4.573 11.532 -1.488 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.632 12.688 -3.304 1.00 0.00 O ATOM 0 H ASP A 40 2.433 10.207 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 40 4.233 8.306 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.731 10.257 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.050 10.547 -3.926 1.00 0.00 H new ATOM 625 N ILE A 41 6.412 9.090 -2.062 1.00 0.00 N ATOM 626 CA ILE A 41 7.619 9.175 -1.191 1.00 0.00 C ATOM 627 C ILE A 41 7.765 10.571 -0.576 1.00 0.00 C ATOM 628 O ILE A 41 8.605 10.815 0.259 1.00 0.00 O ATOM 629 CB ILE A 41 8.800 8.768 -2.026 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.086 8.958 -1.219 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.840 9.644 -3.275 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.160 9.575 -2.115 1.00 0.00 C ATOM 0 H ILE A 41 6.618 8.928 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 41 7.536 8.502 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 41 8.713 7.720 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.898 9.603 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.429 8.000 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.693 9.360 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.920 9.509 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.936 10.690 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.077 9.711 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.354 8.913 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.815 10.541 -2.484 1.00 0.00 H new ATOM 644 N MET A 42 7.007 11.539 -1.117 1.00 0.00 N ATOM 645 CA MET A 42 7.211 12.898 -0.548 1.00 0.00 C ATOM 646 C MET A 42 6.088 13.240 0.452 1.00 0.00 C ATOM 647 O MET A 42 6.239 14.149 1.250 1.00 0.00 O ATOM 648 CB MET A 42 6.949 13.803 -1.808 1.00 0.00 C ATOM 649 CG MET A 42 5.538 14.388 -1.766 1.00 0.00 C ATOM 650 SD MET A 42 5.591 16.036 -1.018 1.00 0.00 S ATOM 651 CE MET A 42 3.828 16.164 -0.627 1.00 0.00 C ATOM 0 H MET A 42 6.319 11.440 -1.864 1.00 0.00 H new ATOM 0 HA MET A 42 8.174 13.007 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.682 14.609 -1.842 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.078 13.216 -2.717 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.127 14.447 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.880 13.737 -1.191 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.598 17.183 -0.315 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.240 15.914 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.583 15.473 0.180 1.00 0.00 H new ATOM 661 N VAL A 43 5.108 12.390 0.581 1.00 0.00 N ATOM 662 CA VAL A 43 4.033 12.650 1.580 1.00 0.00 C ATOM 663 C VAL A 43 4.046 11.537 2.628 1.00 0.00 C ATOM 664 O VAL A 43 3.886 11.781 3.807 1.00 0.00 O ATOM 665 CB VAL A 43 2.719 12.634 0.802 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.419 11.208 0.347 1.00 0.00 C ATOM 667 CG2 VAL A 43 1.587 13.131 1.703 1.00 0.00 C ATOM 0 H VAL A 43 5.004 11.531 0.041 1.00 0.00 H new ATOM 0 HA VAL A 43 4.169 13.601 2.095 1.00 0.00 H new ATOM 0 HB VAL A 43 2.802 13.285 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.481 11.193 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.226 10.853 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.335 10.558 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.649 13.120 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.502 12.480 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.803 14.148 2.031 1.00 0.00 H new ATOM 677 N ASP A 44 4.230 10.314 2.209 1.00 0.00 N ATOM 678 CA ASP A 44 4.242 9.192 3.189 1.00 0.00 C ATOM 679 C ASP A 44 5.646 8.598 3.296 1.00 0.00 C ATOM 680 O ASP A 44 5.822 7.393 3.324 1.00 0.00 O ATOM 681 CB ASP A 44 3.260 8.163 2.630 1.00 0.00 C ATOM 682 CG ASP A 44 3.540 6.795 3.256 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.240 6.629 4.426 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.048 5.937 2.553 1.00 0.00 O ATOM 0 H ASP A 44 4.372 10.045 1.235 1.00 0.00 H new ATOM 0 HA ASP A 44 3.960 9.516 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.236 8.469 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.356 8.105 1.546 1.00 0.00 H new ATOM 689 N ARG A 45 6.655 9.447 3.422 1.00 0.00 N ATOM 690 CA ARG A 45 8.021 8.854 3.473 1.00 0.00 C ATOM 691 C ARG A 45 8.158 8.028 4.762 1.00 0.00 C ATOM 692 O ARG A 45 9.125 7.318 4.949 1.00 0.00 O ATOM 693 CB ARG A 45 8.918 10.135 3.681 1.00 0.00 C ATOM 694 CG ARG A 45 10.359 9.707 3.965 1.00 0.00 C ATOM 695 CD ARG A 45 11.221 10.943 4.232 1.00 0.00 C ATOM 696 NE ARG A 45 12.626 10.462 4.123 1.00 0.00 N ATOM 697 CZ ARG A 45 13.522 10.865 4.981 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.692 12.140 5.198 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.248 9.992 5.624 1.00 0.00 N ATOM 0 H ARG A 45 6.591 10.463 3.487 1.00 0.00 H new ATOM 0 HA ARG A 45 8.260 8.234 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.883 10.765 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.534 10.730 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.387 9.039 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.757 9.150 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.016 11.731 3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.021 11.358 5.220 1.00 0.00 H new ATOM 0 HE ARG A 45 12.888 9.817 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.124 12.823 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.393 12.454 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.115 8.995 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.949 10.307 6.295 1.00 0.00 H new ATOM 713 N GLU A 46 7.142 7.978 5.550 1.00 0.00 N ATOM 714 CA GLU A 46 7.072 7.098 6.754 1.00 0.00 C ATOM 715 C GLU A 46 7.383 5.658 6.361 1.00 0.00 C ATOM 716 O GLU A 46 7.658 4.816 7.188 1.00 0.00 O ATOM 717 CB GLU A 46 5.766 7.317 7.418 1.00 0.00 C ATOM 718 CG GLU A 46 5.557 8.805 7.701 1.00 0.00 C ATOM 719 CD GLU A 46 6.039 9.130 9.115 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.512 8.224 9.782 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.928 10.280 9.509 1.00 0.00 O ATOM 0 H GLU A 46 6.303 8.540 5.409 1.00 0.00 H new ATOM 0 HA GLU A 46 7.831 7.347 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.961 6.944 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.725 6.753 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.103 9.404 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.503 9.061 7.597 1.00 0.00 H new ATOM 728 N LYS A 47 7.121 5.316 5.123 1.00 0.00 N ATOM 729 CA LYS A 47 7.321 3.903 4.706 1.00 0.00 C ATOM 730 C LYS A 47 8.692 3.428 5.173 1.00 0.00 C ATOM 731 O LYS A 47 8.831 2.411 5.816 1.00 0.00 O ATOM 732 CB LYS A 47 7.277 3.906 3.173 1.00 0.00 C ATOM 733 CG LYS A 47 8.419 3.028 2.639 1.00 0.00 C ATOM 734 CD LYS A 47 8.153 1.565 2.994 1.00 0.00 C ATOM 735 CE LYS A 47 9.430 0.752 2.774 1.00 0.00 C ATOM 736 NZ LYS A 47 9.367 -0.343 3.782 1.00 0.00 N ATOM 0 H LYS A 47 6.783 5.947 4.397 1.00 0.00 H new ATOM 0 HA LYS A 47 6.564 3.244 5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.316 3.528 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.376 4.924 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.502 3.141 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.368 3.349 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.830 1.483 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.346 1.170 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.475 0.354 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.319 1.367 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.055 -0.157 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.410 -0.388 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.592 -1.249 3.325 1.00 0.00 H new ATOM 750 N ALA A 48 9.701 4.045 4.722 1.00 0.00 N ATOM 751 CA ALA A 48 11.103 3.799 5.108 1.00 0.00 C ATOM 752 C ALA A 48 11.304 3.883 6.613 1.00 0.00 C ATOM 753 O ALA A 48 12.423 3.809 7.075 1.00 0.00 O ATOM 754 CB ALA A 48 12.004 4.488 4.217 1.00 0.00 C ATOM 0 H ALA A 48 9.612 4.789 4.029 1.00 0.00 H new ATOM 0 HA ALA A 48 11.391 2.760 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.033 4.294 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.851 4.132 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.809 5.560 4.260 1.00 0.00 H new ATOM 760 N ILE A 49 10.324 4.396 7.330 1.00 0.00 N ATOM 761 CA ILE A 49 10.600 4.621 8.757 1.00 0.00 C ATOM 762 C ILE A 49 11.547 3.502 9.156 1.00 0.00 C ATOM 763 O ILE A 49 12.528 3.704 9.842 1.00 0.00 O ATOM 764 CB ILE A 49 9.245 4.468 9.472 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.507 3.231 8.946 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.397 5.714 9.214 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.073 1.977 9.615 1.00 0.00 C ATOM 0 H ILE A 49 9.395 4.652 6.995 1.00 0.00 H new ATOM 0 HA ILE A 49 11.036 5.591 8.996 1.00 0.00 H new ATOM 0 HB ILE A 49 9.416 4.350 10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.440 3.316 9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.618 3.161 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.436 5.611 9.718 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.916 6.593 9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.234 5.828 8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.549 1.097 9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.135 1.891 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.939 2.048 10.694 1.00 0.00 H new ATOM 779 N GLU A 50 11.293 2.337 8.633 1.00 0.00 N ATOM 780 CA GLU A 50 12.187 1.184 8.883 1.00 0.00 C ATOM 781 C GLU A 50 13.625 1.574 8.529 1.00 0.00 C ATOM 782 O GLU A 50 14.531 1.412 9.321 1.00 0.00 O ATOM 783 CB GLU A 50 11.665 0.095 7.944 1.00 0.00 C ATOM 784 CG GLU A 50 10.840 -0.913 8.743 1.00 0.00 C ATOM 785 CD GLU A 50 11.240 -2.334 8.341 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.155 -2.864 8.947 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.622 -2.868 7.435 1.00 0.00 O ATOM 0 H GLU A 50 10.492 2.136 8.035 1.00 0.00 H new ATOM 0 HA GLU A 50 12.193 0.854 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.054 0.539 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.499 -0.408 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.002 -0.767 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.777 -0.757 8.558 1.00 0.00 H new ATOM 794 N TYR A 51 13.845 2.102 7.347 1.00 0.00 N ATOM 795 CA TYR A 51 15.236 2.510 6.976 1.00 0.00 C ATOM 796 C TYR A 51 15.277 3.987 6.588 1.00 0.00 C ATOM 797 O TYR A 51 16.270 4.665 6.754 1.00 0.00 O ATOM 798 CB TYR A 51 15.618 1.648 5.771 1.00 0.00 C ATOM 799 CG TYR A 51 14.555 1.721 4.700 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.289 1.172 4.921 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.851 2.323 3.470 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.318 1.225 3.917 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.877 2.379 2.466 1.00 0.00 C ATOM 804 CZ TYR A 51 12.610 1.829 2.688 1.00 0.00 C ATOM 805 OH TYR A 51 11.652 1.880 1.697 1.00 0.00 O ATOM 0 H TYR A 51 13.134 2.266 6.635 1.00 0.00 H new ATOM 0 HA TYR A 51 15.923 2.372 7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.572 1.984 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.752 0.613 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.061 0.706 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.830 2.744 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.341 0.799 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.104 2.847 1.520 1.00 0.00 H new ATOM 0 HH TYR A 51 12.076 2.107 0.843 1.00 0.00 H new ATOM 815 N GLY A 52 14.198 4.478 6.069 1.00 0.00 N ATOM 816 CA GLY A 52 14.134 5.904 5.651 1.00 0.00 C ATOM 817 C GLY A 52 15.441 6.334 4.978 1.00 0.00 C ATOM 818 O GLY A 52 15.678 7.505 4.765 1.00 0.00 O ATOM 0 H GLY A 52 13.341 3.947 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.301 6.049 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.943 6.534 6.520 1.00 0.00 H new ATOM 822 N LEU A 53 16.244 5.448 4.573 1.00 0.00 N ATOM 823 CA LEU A 53 17.559 5.721 3.884 1.00 0.00 C ATOM 824 C LEU A 53 17.163 5.827 2.407 1.00 0.00 C ATOM 825 O LEU A 53 17.373 6.819 1.730 1.00 0.00 O ATOM 826 CB LEU A 53 18.530 4.672 4.231 1.00 0.00 C ATOM 827 CG LEU A 53 18.512 4.413 5.737 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.828 3.759 6.158 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.342 5.739 6.481 1.00 0.00 C ATOM 0 H LEU A 53 16.056 4.452 4.686 1.00 0.00 H new ATOM 0 HA LEU A 53 18.077 6.632 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.292 3.754 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.530 4.974 3.919 1.00 0.00 H new ATOM 0 HG LEU A 53 17.682 3.750 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.815 3.574 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.950 2.814 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.658 4.422 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.329 5.554 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.172 6.402 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.404 6.206 6.182 1.00 0.00 H new ATOM 841 N MET A 54 16.901 4.677 1.848 1.00 0.00 N ATOM 842 CA MET A 54 16.496 4.591 0.425 1.00 0.00 C ATOM 843 C MET A 54 14.981 4.466 0.362 1.00 0.00 C ATOM 844 O MET A 54 14.449 3.538 -0.238 1.00 0.00 O ATOM 845 CB MET A 54 17.163 3.316 -0.055 1.00 0.00 C ATOM 846 CG MET A 54 18.673 3.534 -0.165 1.00 0.00 C ATOM 847 SD MET A 54 19.352 2.431 -1.430 1.00 0.00 S ATOM 848 CE MET A 54 18.544 3.197 -2.855 1.00 0.00 C ATOM 0 H MET A 54 16.953 3.780 2.330 1.00 0.00 H new ATOM 0 HA MET A 54 16.778 5.455 -0.177 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.953 2.501 0.638 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.757 3.024 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.883 4.572 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.150 3.340 0.796 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.215 3.166 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 54 17.629 2.654 -3.090 1.00 0.00 H new ATOM 0 HE3 MET A 54 18.301 4.234 -2.622 1.00 0.00 H new ATOM 858 N ALA A 55 14.270 5.501 0.796 1.00 0.00 N ATOM 859 CA ALA A 55 12.791 5.282 0.814 1.00 0.00 C ATOM 860 C ALA A 55 12.216 6.204 -0.298 1.00 0.00 C ATOM 861 O ALA A 55 12.162 7.371 -0.322 1.00 0.00 O ATOM 862 CB ALA A 55 12.384 6.003 2.172 1.00 0.00 C ATOM 0 H ALA A 55 14.619 6.406 1.110 1.00 0.00 H new ATOM 0 HA ALA A 55 12.475 4.245 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.307 5.921 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.901 5.528 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.664 7.055 2.123 1.00 0.00 H new ATOM 868 N VAL A 56 11.710 5.461 -1.317 1.00 0.00 N ATOM 869 CA VAL A 56 11.107 6.144 -2.495 1.00 0.00 C ATOM 870 C VAL A 56 9.971 5.330 -3.114 1.00 0.00 C ATOM 871 O VAL A 56 8.809 5.719 -3.004 1.00 0.00 O ATOM 872 CB VAL A 56 12.228 6.286 -3.527 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.677 6.004 -4.928 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.780 7.712 -3.482 1.00 0.00 C ATOM 0 H VAL A 56 11.704 4.442 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 56 10.687 7.102 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 56 13.022 5.575 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.477 6.106 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.278 4.990 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.883 6.715 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.579 7.816 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.982 8.418 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.173 7.919 -2.487 1.00 0.00 H new ATOM 884 N PRO A 57 10.268 4.037 -3.397 1.00 0.00 N ATOM 885 CA PRO A 57 9.146 3.276 -4.002 1.00 0.00 C ATOM 886 C PRO A 57 8.860 2.152 -2.963 1.00 0.00 C ATOM 887 O PRO A 57 9.503 1.262 -2.627 1.00 0.00 O ATOM 888 CB PRO A 57 9.988 2.461 -5.124 1.00 0.00 C ATOM 889 CG PRO A 57 11.445 2.513 -4.731 1.00 0.00 C ATOM 890 CD PRO A 57 11.592 3.498 -3.584 1.00 0.00 C ATOM 0 HA PRO A 57 8.270 3.847 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.645 1.428 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.841 2.904 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.793 1.525 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.057 2.822 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.950 3.004 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.309 4.283 -3.824 1.00 0.00 H new ATOM 898 N ALA A 58 7.641 2.366 -2.380 1.00 0.00 N ATOM 899 CA ALA A 58 7.194 1.484 -1.264 1.00 0.00 C ATOM 900 C ALA A 58 5.685 1.558 -1.067 1.00 0.00 C ATOM 901 O ALA A 58 4.975 2.238 -1.780 1.00 0.00 O ATOM 902 CB ALA A 58 7.929 1.882 -0.023 1.00 0.00 C ATOM 0 H ALA A 58 6.985 3.100 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 58 7.422 0.446 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.615 1.247 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.001 1.767 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.707 2.923 0.213 1.00 0.00 H new ATOM 908 N ILE A 59 5.189 0.792 -0.131 1.00 0.00 N ATOM 909 CA ILE A 59 3.736 0.831 0.170 1.00 0.00 C ATOM 910 C ILE A 59 3.556 0.622 1.673 1.00 0.00 C ATOM 911 O ILE A 59 4.146 -0.276 2.256 1.00 0.00 O ATOM 912 CB ILE A 59 3.183 -0.348 -0.643 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.543 0.182 -1.928 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.138 -1.094 0.184 1.00 0.00 C ATOM 915 CD1 ILE A 59 2.856 -0.769 -3.084 1.00 0.00 C ATOM 0 H ILE A 59 5.732 0.141 0.437 1.00 0.00 H new ATOM 0 HA ILE A 59 3.234 1.765 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 59 3.994 -1.032 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.464 0.272 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.922 1.179 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.746 -1.931 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.598 -1.469 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.324 -0.416 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.400 -0.392 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.936 -0.837 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.456 -1.758 -2.860 1.00 0.00 H new ATOM 927 N ALA A 60 2.458 1.196 2.233 1.00 0.00 N ATOM 928 CA ALA A 60 2.428 0.949 3.710 1.00 0.00 C ATOM 929 C ALA A 60 1.503 -0.281 3.708 1.00 0.00 C ATOM 930 O ALA A 60 0.533 -0.467 3.049 1.00 0.00 O ATOM 931 CB ALA A 60 1.503 2.193 4.195 1.00 0.00 C ATOM 0 H ALA A 60 1.710 1.734 1.796 1.00 0.00 H new ATOM 0 HA ALA A 60 3.359 0.843 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.382 2.156 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.980 3.132 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.525 2.127 3.718 1.00 0.00 H new ATOM 937 N ILE A 61 1.842 -1.155 4.758 1.00 0.00 N ATOM 938 CA ILE A 61 1.072 -2.440 4.580 1.00 0.00 C ATOM 939 C ILE A 61 -0.063 -2.173 5.594 1.00 0.00 C ATOM 940 O ILE A 61 -0.229 -2.607 6.673 1.00 0.00 O ATOM 941 CB ILE A 61 2.096 -3.392 5.433 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.531 -3.131 4.957 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.721 -4.846 5.156 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.394 -4.365 5.226 1.00 0.00 C ATOM 0 H ILE A 61 2.481 -1.035 5.544 1.00 0.00 H new ATOM 0 HA ILE A 61 0.765 -2.779 3.590 1.00 0.00 H new ATOM 0 HB ILE A 61 2.028 -3.180 6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.535 -2.897 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.945 -2.266 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.387 -5.506 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.692 -5.022 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.816 -5.049 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.413 -4.177 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.401 -4.578 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.984 -5.220 4.688 1.00 0.00 H new ATOM 956 N ASN A 62 -1.136 -1.678 4.884 1.00 0.00 N ATOM 957 CA ASN A 62 -2.403 -1.379 5.593 1.00 0.00 C ATOM 958 C ASN A 62 -2.764 -2.597 6.413 1.00 0.00 C ATOM 959 O ASN A 62 -3.493 -3.468 5.976 1.00 0.00 O ATOM 960 CB ASN A 62 -3.414 -1.124 4.485 1.00 0.00 C ATOM 961 CG ASN A 62 -3.574 0.381 4.262 1.00 0.00 C ATOM 962 OD1 ASN A 62 -3.746 0.826 3.144 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.525 1.189 5.286 1.00 0.00 N ATOM 0 H ASN A 62 -1.140 -1.492 3.881 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.354 -0.525 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.085 -1.604 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.375 -1.565 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.631 2.194 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.381 0.815 6.224 1.00 0.00 H new ATOM 970 N GLY A 63 -2.222 -2.669 7.590 1.00 0.00 N ATOM 971 CA GLY A 63 -2.455 -3.826 8.486 1.00 0.00 C ATOM 972 C GLY A 63 -1.347 -3.799 9.536 1.00 0.00 C ATOM 973 O GLY A 63 -1.588 -3.913 10.721 1.00 0.00 O ATOM 0 H GLY A 63 -1.609 -1.952 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.436 -3.759 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.434 -4.760 7.925 1.00 0.00 H new ATOM 977 N VAL A 64 -0.124 -3.640 9.094 1.00 0.00 N ATOM 978 CA VAL A 64 1.015 -3.593 10.042 1.00 0.00 C ATOM 979 C VAL A 64 1.821 -2.281 9.894 1.00 0.00 C ATOM 980 O VAL A 64 1.928 -1.521 10.835 1.00 0.00 O ATOM 981 CB VAL A 64 1.846 -4.818 9.675 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.912 -6.019 9.559 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.533 -4.601 8.330 1.00 0.00 C ATOM 0 H VAL A 64 0.129 -3.541 8.111 1.00 0.00 H new ATOM 0 HA VAL A 64 0.697 -3.607 11.084 1.00 0.00 H new ATOM 0 HB VAL A 64 2.602 -4.987 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.490 -6.905 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.409 -6.182 10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.169 -5.828 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.124 -5.481 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.780 -4.436 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.187 -3.731 8.391 1.00 0.00 H new ATOM 993 N VAL A 65 2.384 -1.990 8.737 1.00 0.00 N ATOM 994 CA VAL A 65 3.165 -0.717 8.602 1.00 0.00 C ATOM 995 C VAL A 65 3.417 -0.355 7.131 1.00 0.00 C ATOM 996 O VAL A 65 2.543 0.135 6.441 1.00 0.00 O ATOM 997 CB VAL A 65 4.492 -0.989 9.314 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.449 0.178 9.073 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.243 -1.139 10.817 1.00 0.00 C ATOM 0 H VAL A 65 2.337 -2.568 7.898 1.00 0.00 H new ATOM 0 HA VAL A 65 2.622 0.125 9.031 1.00 0.00 H new ATOM 0 HB VAL A 65 4.931 -1.907 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.394 -0.016 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.627 0.288 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.009 1.096 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.188 -1.333 11.325 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.803 -0.221 11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.560 -1.970 10.991 1.00 0.00 H new ATOM 1009 N ARG A 66 4.626 -0.568 6.665 1.00 0.00 N ATOM 1010 CA ARG A 66 4.984 -0.232 5.254 1.00 0.00 C ATOM 1011 C ARG A 66 6.142 -1.117 4.779 1.00 0.00 C ATOM 1012 O ARG A 66 6.817 -1.746 5.571 1.00 0.00 O ATOM 1013 CB ARG A 66 5.419 1.233 5.311 1.00 0.00 C ATOM 1014 CG ARG A 66 5.176 1.895 3.949 1.00 0.00 C ATOM 1015 CD ARG A 66 4.551 3.288 4.126 1.00 0.00 C ATOM 1016 NE ARG A 66 3.912 3.280 5.472 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.990 4.334 6.237 1.00 0.00 C ATOM 1018 NH1 ARG A 66 5.002 4.477 7.049 1.00 0.00 N ATOM 1019 NH2 ARG A 66 3.057 5.244 6.191 1.00 0.00 N ATOM 0 H ARG A 66 5.389 -0.966 7.213 1.00 0.00 H new ATOM 0 HA ARG A 66 4.158 -0.393 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.862 1.758 6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.474 1.300 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.118 1.980 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.517 1.269 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.309 4.068 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.817 3.489 3.346 1.00 0.00 H new ATOM 0 HE ARG A 66 3.414 2.451 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.731 3.765 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.063 5.301 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.266 5.132 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.118 6.068 6.789 1.00 0.00 H new ATOM 1033 N PHE A 67 6.398 -1.153 3.498 1.00 0.00 N ATOM 1034 CA PHE A 67 7.508 -2.010 2.985 1.00 0.00 C ATOM 1035 C PHE A 67 8.160 -1.378 1.749 1.00 0.00 C ATOM 1036 O PHE A 67 7.740 -0.343 1.271 1.00 0.00 O ATOM 1037 CB PHE A 67 6.847 -3.327 2.585 1.00 0.00 C ATOM 1038 CG PHE A 67 6.669 -3.384 1.083 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.275 -2.243 0.372 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.895 -4.585 0.402 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.109 -2.303 -1.015 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.728 -4.644 -0.985 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.334 -3.504 -1.694 1.00 0.00 C ATOM 0 H PHE A 67 5.889 -0.628 2.787 1.00 0.00 H new ATOM 0 HA PHE A 67 8.287 -2.138 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.458 -4.166 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.879 -3.422 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.099 -1.315 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.198 -5.466 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.807 -1.422 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.903 -5.571 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.204 -3.552 -2.765 1.00 0.00 H new ATOM 1053 N VAL A 68 9.273 -1.909 1.323 1.00 0.00 N ATOM 1054 CA VAL A 68 9.967 -1.416 0.097 1.00 0.00 C ATOM 1055 C VAL A 68 9.354 -1.996 -1.166 1.00 0.00 C ATOM 1056 O VAL A 68 9.412 -3.219 -1.332 1.00 0.00 O ATOM 1057 CB VAL A 68 11.418 -1.758 0.282 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.201 -1.362 -0.971 1.00 0.00 C ATOM 1059 CG2 VAL A 68 11.987 -1.015 1.494 1.00 0.00 C ATOM 0 H VAL A 68 9.744 -2.686 1.787 1.00 0.00 H new ATOM 0 HA VAL A 68 9.855 -0.339 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 68 11.509 -2.831 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.254 -1.610 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.808 -1.903 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.100 -0.290 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.039 -1.272 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.891 0.060 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.436 -1.304 2.389 1.00 0.00 H new ATOM 1069 N GLY A 69 8.830 -1.229 -2.048 1.00 0.00 N ATOM 1070 CA GLY A 69 8.249 -1.814 -3.287 1.00 0.00 C ATOM 1071 C GLY A 69 8.076 -0.744 -4.358 1.00 0.00 C ATOM 1072 O GLY A 69 7.269 0.150 -4.229 1.00 0.00 O ATOM 0 H GLY A 69 8.772 -0.213 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.898 -2.607 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.285 -2.270 -3.062 1.00 0.00 H new ATOM 1076 N ALA A 70 8.793 -0.839 -5.433 1.00 0.00 N ATOM 1077 CA ALA A 70 8.628 0.167 -6.503 1.00 0.00 C ATOM 1078 C ALA A 70 7.585 -0.334 -7.502 1.00 0.00 C ATOM 1079 O ALA A 70 6.418 -0.014 -7.369 1.00 0.00 O ATOM 1080 CB ALA A 70 10.016 0.301 -7.114 1.00 0.00 C ATOM 0 H ALA A 70 9.484 -1.567 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 70 8.269 1.136 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.989 1.032 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.720 0.631 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.335 -0.664 -7.508 1.00 0.00 H new ATOM 1086 N PRO A 71 8.008 -1.167 -8.432 1.00 0.00 N ATOM 1087 CA PRO A 71 7.018 -1.692 -9.378 1.00 0.00 C ATOM 1088 C PRO A 71 6.375 -2.925 -8.748 1.00 0.00 C ATOM 1089 O PRO A 71 5.659 -3.680 -9.383 1.00 0.00 O ATOM 1090 CB PRO A 71 7.902 -2.202 -10.537 1.00 0.00 C ATOM 1091 CG PRO A 71 9.241 -2.479 -9.921 1.00 0.00 C ATOM 1092 CD PRO A 71 9.367 -1.608 -8.695 1.00 0.00 C ATOM 0 HA PRO A 71 6.253 -0.970 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.482 -3.102 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.980 -1.457 -11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.329 -3.532 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.041 -2.262 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.776 -2.164 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.033 -0.763 -8.873 1.00 0.00 H new ATOM 1100 N SER A 72 6.338 -2.908 -7.346 1.00 0.00 N ATOM 1101 CA SER A 72 5.654 -4.182 -6.856 1.00 0.00 C ATOM 1102 C SER A 72 4.448 -3.572 -6.054 1.00 0.00 C ATOM 1103 O SER A 72 4.294 -3.458 -4.906 1.00 0.00 O ATOM 1104 CB SER A 72 6.692 -4.536 -5.637 1.00 0.00 C ATOM 1105 OG SER A 72 7.324 -5.750 -5.999 1.00 0.00 O ATOM 0 H SER A 72 6.680 -2.214 -6.681 1.00 0.00 H new ATOM 0 HA SER A 72 5.411 -4.961 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.424 -3.740 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.161 -4.640 -4.691 1.00 0.00 H new ATOM 0 HG SER A 72 6.749 -6.504 -5.753 1.00 0.00 H new ATOM 1111 N ARG A 73 3.357 -3.534 -6.884 1.00 0.00 N ATOM 1112 CA ARG A 73 2.041 -3.111 -6.351 1.00 0.00 C ATOM 1113 C ARG A 73 1.373 -4.295 -5.688 1.00 0.00 C ATOM 1114 O ARG A 73 0.779 -4.200 -4.643 1.00 0.00 O ATOM 1115 CB ARG A 73 1.249 -2.569 -7.528 1.00 0.00 C ATOM 1116 CG ARG A 73 1.491 -3.465 -8.743 1.00 0.00 C ATOM 1117 CD ARG A 73 2.361 -2.724 -9.760 1.00 0.00 C ATOM 1118 NE ARG A 73 3.316 -3.747 -10.268 1.00 0.00 N ATOM 1119 CZ ARG A 73 3.126 -4.292 -11.439 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.635 -3.583 -12.417 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.429 -5.547 -11.630 1.00 0.00 N ATOM 0 H ARG A 73 3.368 -3.780 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 73 2.123 -2.334 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.187 -2.541 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.553 -1.546 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.981 -4.389 -8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.540 -3.744 -9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.758 -2.311 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.887 -1.889 -9.296 1.00 0.00 H new ATOM 0 HE ARG A 73 4.118 -4.022 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.399 -2.602 -12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.487 -4.009 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.814 -6.101 -10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.281 -5.974 -12.544 1.00 0.00 H new ATOM 1135 N GLU A 74 1.427 -5.434 -6.326 1.00 0.00 N ATOM 1136 CA GLU A 74 0.814 -6.656 -5.733 1.00 0.00 C ATOM 1137 C GLU A 74 1.096 -6.661 -4.240 1.00 0.00 C ATOM 1138 O GLU A 74 0.345 -7.178 -3.441 1.00 0.00 O ATOM 1139 CB GLU A 74 1.419 -7.841 -6.446 1.00 0.00 C ATOM 1140 CG GLU A 74 0.334 -8.877 -6.745 1.00 0.00 C ATOM 1141 CD GLU A 74 0.323 -9.185 -8.244 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.676 -8.306 -9.013 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.039 -10.295 -8.597 1.00 0.00 O ATOM 0 H GLU A 74 1.871 -5.570 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.269 -6.690 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.890 -7.517 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.200 -8.287 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.520 -9.788 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.640 -8.500 -6.433 1.00 0.00 H new ATOM 1150 N GLU A 75 2.224 -6.124 -3.871 1.00 0.00 N ATOM 1151 CA GLU A 75 2.592 -6.097 -2.444 1.00 0.00 C ATOM 1152 C GLU A 75 1.415 -5.555 -1.632 1.00 0.00 C ATOM 1153 O GLU A 75 1.041 -6.116 -0.619 1.00 0.00 O ATOM 1154 CB GLU A 75 3.763 -5.116 -2.411 1.00 0.00 C ATOM 1155 CG GLU A 75 5.048 -5.876 -2.733 1.00 0.00 C ATOM 1156 CD GLU A 75 4.846 -6.701 -4.006 1.00 0.00 C ATOM 1157 OE1 GLU A 75 3.947 -7.527 -4.017 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.594 -6.495 -4.947 1.00 0.00 O ATOM 0 H GLU A 75 2.904 -5.703 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 75 2.844 -7.073 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.606 -4.316 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.837 -4.648 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.873 -5.177 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.315 -6.529 -1.902 1.00 0.00 H new ATOM 1165 N LEU A 76 0.813 -4.493 -2.085 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.364 -3.941 -1.364 1.00 0.00 C ATOM 1167 C LEU A 76 -1.450 -5.007 -1.279 1.00 0.00 C ATOM 1168 O LEU A 76 -2.088 -5.190 -0.263 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.842 -2.765 -2.214 1.00 0.00 C ATOM 1170 CG LEU A 76 0.056 -1.552 -1.975 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.144 -0.540 -3.105 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.312 -0.902 -0.640 1.00 0.00 C ATOM 0 H LEU A 76 1.086 -3.983 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.123 -3.631 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.826 -3.038 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.874 -2.520 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 76 1.098 -1.870 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.496 0.326 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.115 -1.002 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.186 -0.222 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.328 -0.036 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.354 -0.584 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.172 -1.622 0.166 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.668 -5.709 -2.361 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.708 -6.770 -2.353 1.00 0.00 C ATOM 1186 C PHE A 77 -2.396 -7.809 -1.276 1.00 0.00 C ATOM 1187 O PHE A 77 -3.273 -8.377 -0.667 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.654 -7.390 -3.755 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.359 -8.867 -3.644 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.326 -9.737 -3.127 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.119 -9.366 -4.057 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.052 -11.106 -3.023 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -0.845 -10.735 -3.953 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.812 -11.605 -3.436 1.00 0.00 C ATOM 0 H PHE A 77 -1.171 -5.591 -3.244 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.700 -6.379 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.603 -7.236 -4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.885 -6.899 -4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.283 -9.352 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.373 -8.695 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.798 -11.777 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.112 -11.120 -4.272 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.601 -12.661 -3.356 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.160 -8.106 -1.080 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.689 -9.068 -0.038 1.00 0.00 C ATOM 1206 C GLU A 78 -0.787 -8.444 1.355 1.00 0.00 C ATOM 1207 O GLU A 78 -0.874 -9.108 2.359 1.00 0.00 O ATOM 1208 CB GLU A 78 0.654 -9.552 -0.434 1.00 0.00 C ATOM 1209 CG GLU A 78 1.078 -10.712 0.466 1.00 0.00 C ATOM 1210 CD GLU A 78 1.783 -11.779 -0.375 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.202 -12.210 -1.357 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.891 -12.146 -0.022 1.00 0.00 O ATOM 0 H GLU A 78 -0.401 -7.701 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.329 -9.948 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.641 -9.875 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.378 -8.741 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.744 -10.353 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.206 -11.141 0.960 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.540 -7.148 1.420 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.521 -6.477 2.749 1.00 0.00 C ATOM 1221 C ALA A 79 -1.944 -6.352 3.299 1.00 0.00 C ATOM 1222 O ALA A 79 -2.169 -6.499 4.482 1.00 0.00 O ATOM 1223 CB ALA A 79 0.069 -5.088 2.478 1.00 0.00 C ATOM 0 H ALA A 79 -0.355 -6.544 0.619 1.00 0.00 H new ATOM 0 HA ALA A 79 0.058 -7.034 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.118 -4.525 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.072 -5.193 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.563 -4.557 1.766 1.00 0.00 H new ATOM 1229 N ILE A 80 -2.899 -6.090 2.465 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.309 -5.999 2.931 1.00 0.00 C ATOM 1231 C ILE A 80 -4.747 -7.356 3.468 1.00 0.00 C ATOM 1232 O ILE A 80 -5.443 -7.466 4.451 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.120 -5.544 1.741 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.846 -4.062 1.478 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.608 -5.744 2.030 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.439 -3.711 1.962 1.00 0.00 C ATOM 0 H ILE A 80 -2.766 -5.932 1.466 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.443 -5.290 3.748 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.840 -6.128 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.940 -3.847 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.584 -3.447 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.193 -5.415 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.803 -6.799 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.890 -5.160 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.243 -2.655 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.361 -3.911 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.708 -4.316 1.426 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.401 -8.398 2.781 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.745 -9.786 3.210 1.00 0.00 C ATOM 1250 C ASN A 81 -3.930 -10.164 4.436 1.00 0.00 C ATOM 1251 O ASN A 81 -4.402 -10.823 5.351 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.463 -10.698 2.065 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.174 -11.467 2.357 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.124 -10.878 2.514 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.209 -12.769 2.433 1.00 0.00 N ATOM 0 H ASN A 81 -3.875 -8.350 1.908 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.797 -9.862 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.292 -11.391 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.361 -10.126 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.354 -13.292 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.091 -13.264 2.301 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.709 -9.480 4.567 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.072 -10.091 5.776 1.00 0.00 C ATOM 1264 C ASP A 82 -2.201 -8.916 6.830 1.00 0.00 C ATOM 1265 O ASP A 82 -2.371 -9.396 8.028 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.486 -9.529 5.336 1.00 0.00 C ATOM 1267 CG ASP A 82 0.149 -8.691 6.456 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.327 -9.230 7.536 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.445 -7.532 6.214 1.00 0.00 O ATOM 0 H ASP A 82 -2.268 -8.735 4.028 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.352 -11.109 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.154 -10.383 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.550 -8.932 4.426 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.033 -7.947 6.522 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.500 -6.994 7.549 1.00 0.00 C ATOM 1276 C GLU A 83 -4.758 -7.640 8.125 1.00 0.00 C ATOM 1277 O GLU A 83 -4.825 -7.910 9.318 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.884 -5.726 6.758 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.794 -4.825 7.608 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.795 -5.299 9.065 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.727 -5.601 9.570 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.865 -5.353 9.648 1.00 0.00 O ATOM 0 H GLU A 83 -3.406 -7.784 5.587 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.783 -6.760 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.985 -5.181 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.394 -6.004 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.449 -3.792 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.809 -4.843 7.211 1.00 0.00 H new ATOM 1289 N MET A 84 -5.742 -7.885 7.303 1.00 0.00 N ATOM 1290 CA MET A 84 -6.979 -8.520 7.840 1.00 0.00 C ATOM 1291 C MET A 84 -6.747 -10.000 8.153 1.00 0.00 C ATOM 1292 O MET A 84 -7.457 -10.588 8.947 1.00 0.00 O ATOM 1293 CB MET A 84 -7.975 -8.424 6.652 1.00 0.00 C ATOM 1294 CG MET A 84 -7.820 -9.642 5.736 1.00 0.00 C ATOM 1295 SD MET A 84 -9.296 -9.814 4.703 1.00 0.00 S ATOM 1296 CE MET A 84 -8.556 -10.841 3.408 1.00 0.00 C ATOM 0 H MET A 84 -5.745 -7.678 6.304 1.00 0.00 H new ATOM 0 HA MET A 84 -7.319 -8.042 8.759 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.997 -8.369 7.027 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.793 -7.509 6.088 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.936 -9.528 5.109 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.674 -10.542 6.333 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.320 -11.114 2.680 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.763 -10.283 2.910 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.140 -11.744 3.854 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.693 -10.572 7.637 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.400 -12.003 7.937 1.00 0.00 C ATOM 1308 C GLU A 85 -3.887 -12.215 8.026 1.00 0.00 C ATOM 1309 O GLU A 85 -3.385 -12.294 9.136 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.984 -12.796 6.767 1.00 0.00 C ATOM 1311 CG GLU A 85 -7.242 -13.537 7.229 1.00 0.00 C ATOM 1312 CD GLU A 85 -6.948 -14.275 8.537 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -5.848 -14.782 8.674 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.829 -14.318 9.380 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.256 -12.295 6.985 1.00 0.00 O ATOM 0 H GLU A 85 -5.023 -10.111 7.021 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.829 -12.320 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.227 -12.124 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.248 -13.507 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.060 -12.831 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.562 -14.244 6.464 1.00 0.00 H new TER 1322 GLU A 85