USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=12 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+ 135:sc= -6.4! (180deg=-0.833) USER MOD Set 1.2: A 84 MET CE :methyl 176:sc= -8.69! (180deg=-1.82) USER MOD Set 2.1: A 9 THR OG1 : rot -165:sc= 0.183 USER MOD Set 2.2: A 16 CYS SG : rot 18:sc= -10.6! USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.2!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -46:sc= 0.00678 USER MOD Single : A 13 CYS SG : rot 180:sc= -4.53! USER MOD Single : A 15 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 18 MET CE :methyl 180:sc= -0.0731 (180deg=-0.0731) 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+ -146:sc= -0.694 (180deg=-3.06!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 137:sc= -6.25! (180deg=-10.3!) USER MOD Single : A 51 TYR OH : rot -165:sc= -10.8! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -27.1! C(o=-27!,f=-35!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.125 -2.954 9.688 1.00 0.00 N ATOM 2 CA MET A 1 -11.164 -2.568 8.614 1.00 0.00 C ATOM 3 C MET A 1 -11.337 -3.480 7.395 1.00 0.00 C ATOM 4 O MET A 1 -10.804 -4.570 7.343 1.00 0.00 O ATOM 5 CB MET A 1 -9.778 -2.758 9.233 1.00 0.00 C ATOM 6 CG MET A 1 -8.721 -2.131 8.324 1.00 0.00 C ATOM 7 SD MET A 1 -7.077 -2.411 9.028 1.00 0.00 S ATOM 8 CE MET A 1 -7.049 -0.967 10.119 1.00 0.00 C ATOM 0 H1 MET A 1 -11.998 -2.328 10.509 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.098 -2.864 9.332 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.950 -3.939 9.973 1.00 0.00 H new ATOM 0 HA MET A 1 -11.320 -1.545 8.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.743 -2.297 10.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.572 -3.820 9.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.780 -2.566 7.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.905 -1.062 8.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.105 -0.940 10.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.151 -0.059 9.524 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.875 -1.031 10.828 1.00 0.00 H new ATOM 20 N VAL A 2 -12.080 -3.041 6.419 1.00 0.00 N ATOM 21 CA VAL A 2 -12.286 -3.881 5.205 1.00 0.00 C ATOM 22 C VAL A 2 -11.086 -3.761 4.264 1.00 0.00 C ATOM 23 O VAL A 2 -10.120 -4.486 4.372 1.00 0.00 O ATOM 24 CB VAL A 2 -13.533 -3.314 4.526 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.521 -1.785 4.630 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.531 -3.730 3.051 1.00 0.00 C ATOM 0 H VAL A 2 -12.554 -2.138 6.408 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.397 -4.935 5.460 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.428 -3.700 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.410 -1.380 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.514 -1.492 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.630 -1.394 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.417 -3.330 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.638 -3.339 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.536 -4.818 2.980 1.00 0.00 H new ATOM 36 N VAL A 3 -11.161 -2.855 3.329 1.00 0.00 N ATOM 37 CA VAL A 3 -10.050 -2.675 2.371 1.00 0.00 C ATOM 38 C VAL A 3 -9.080 -1.603 2.871 1.00 0.00 C ATOM 39 O VAL A 3 -9.444 -0.453 3.018 1.00 0.00 O ATOM 40 CB VAL A 3 -10.736 -2.232 1.081 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.689 -1.784 0.064 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.538 -3.400 0.508 1.00 0.00 C ATOM 0 H VAL A 3 -11.954 -2.229 3.192 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.459 -3.581 2.235 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.405 -1.398 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.185 -1.469 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.118 -0.950 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.015 -2.613 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.029 -3.087 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.867 -4.233 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.290 -3.714 1.231 1.00 0.00 H new ATOM 52 N ASN A 4 -7.843 -1.955 3.084 1.00 0.00 N ATOM 53 CA ASN A 4 -6.857 -0.943 3.562 1.00 0.00 C ATOM 54 C ASN A 4 -5.540 -1.148 2.819 1.00 0.00 C ATOM 55 O ASN A 4 -4.897 -2.161 2.908 1.00 0.00 O ATOM 56 CB ASN A 4 -6.659 -1.263 5.052 1.00 0.00 C ATOM 57 CG ASN A 4 -6.524 0.044 5.833 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.993 1.077 5.395 1.00 0.00 O ATOM 59 ND2 ASN A 4 -5.898 0.047 6.978 1.00 0.00 N ATOM 0 H ASN A 4 -7.472 -2.895 2.949 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.189 0.082 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.504 -1.840 5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.768 -1.876 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.802 0.915 7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.504 -0.819 7.346 1.00 0.00 H new ATOM 66 N ILE A 5 -5.169 -0.177 2.023 1.00 0.00 N ATOM 67 CA ILE A 5 -3.912 -0.273 1.229 1.00 0.00 C ATOM 68 C ILE A 5 -3.136 1.042 1.284 1.00 0.00 C ATOM 69 O ILE A 5 -3.738 2.096 1.353 1.00 0.00 O ATOM 70 CB ILE A 5 -4.345 -0.632 -0.175 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.816 -1.057 -0.152 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.490 -1.785 -0.696 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.227 -1.545 -1.537 1.00 0.00 C ATOM 0 H ILE A 5 -5.692 0.688 1.890 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.230 -1.027 1.623 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.221 0.231 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.965 -1.848 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.443 -0.218 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.804 -2.042 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.442 -1.485 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.613 -2.652 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.274 -1.847 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.093 -0.741 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.608 -2.396 -1.821 1.00 0.00 H new ATOM 85 N GLU A 6 -1.839 1.020 1.202 1.00 0.00 N ATOM 86 CA GLU A 6 -1.123 2.312 1.185 1.00 0.00 C ATOM 87 C GLU A 6 -0.048 2.291 0.099 1.00 0.00 C ATOM 88 O GLU A 6 1.017 1.719 0.258 1.00 0.00 O ATOM 89 CB GLU A 6 -0.475 2.392 2.575 1.00 0.00 C ATOM 90 CG GLU A 6 0.142 3.775 2.788 1.00 0.00 C ATOM 91 CD GLU A 6 0.215 4.083 4.285 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.830 4.286 4.880 1.00 0.00 O ATOM 93 OE2 GLU A 6 1.312 4.110 4.810 1.00 0.00 O ATOM 0 H GLU A 6 -1.258 0.183 1.147 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.774 3.161 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.221 2.196 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.292 1.624 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.140 3.810 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.455 4.532 2.280 1.00 0.00 H new ATOM 100 N VAL A 7 -0.277 2.978 -0.979 1.00 0.00 N ATOM 101 CA VAL A 7 0.728 2.985 -2.077 1.00 0.00 C ATOM 102 C VAL A 7 1.620 4.205 -1.917 1.00 0.00 C ATOM 103 O VAL A 7 1.249 5.327 -2.153 1.00 0.00 O ATOM 104 CB VAL A 7 -0.100 3.129 -3.374 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.939 1.872 -3.595 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.026 4.342 -3.270 1.00 0.00 C ATOM 0 H VAL A 7 -1.114 3.535 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 7 1.353 2.092 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 7 0.582 3.265 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.521 1.979 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.282 1.007 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.614 1.732 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.606 4.437 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.702 4.212 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.430 5.243 -3.123 1.00 0.00 H new ATOM 116 N PHE A 8 2.828 3.974 -1.440 1.00 0.00 N ATOM 117 CA PHE A 8 3.759 5.111 -1.224 1.00 0.00 C ATOM 118 C PHE A 8 4.983 4.949 -2.126 1.00 0.00 C ATOM 119 O PHE A 8 6.000 4.408 -1.734 1.00 0.00 O ATOM 120 CB PHE A 8 4.144 5.001 0.258 1.00 0.00 C ATOM 121 CG PHE A 8 5.561 5.480 0.472 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.823 6.845 0.631 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.615 4.557 0.519 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.133 7.286 0.837 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.928 5.003 0.726 1.00 0.00 C ATOM 126 CZ PHE A 8 8.186 6.367 0.887 1.00 0.00 C ATOM 0 H PHE A 8 3.196 3.054 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 8 3.322 6.081 -1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.458 5.594 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.049 3.967 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.013 7.558 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.416 3.503 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.333 8.340 0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.740 4.292 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.197 6.711 1.050 1.00 0.00 H new ATOM 136 N THR A 9 4.901 5.449 -3.324 1.00 0.00 N ATOM 137 CA THR A 9 6.054 5.346 -4.262 1.00 0.00 C ATOM 138 C THR A 9 6.501 6.742 -4.677 1.00 0.00 C ATOM 139 O THR A 9 7.605 7.155 -4.392 1.00 0.00 O ATOM 140 CB THR A 9 5.517 4.568 -5.469 1.00 0.00 C ATOM 141 OG1 THR A 9 4.753 3.457 -5.017 1.00 0.00 O ATOM 142 CG2 THR A 9 6.687 4.071 -6.321 1.00 0.00 C ATOM 0 H THR A 9 4.081 5.928 -3.698 1.00 0.00 H new ATOM 0 HA THR A 9 6.916 4.850 -3.816 1.00 0.00 H new ATOM 0 HB THR A 9 4.885 5.223 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.612 2.833 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.304 3.518 -7.179 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.271 4.923 -6.670 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.321 3.417 -5.722 1.00 0.00 H new ATOM 150 N SER A 10 5.647 7.481 -5.336 1.00 0.00 N ATOM 151 CA SER A 10 6.030 8.856 -5.754 1.00 0.00 C ATOM 152 C SER A 10 4.890 9.536 -6.511 1.00 0.00 C ATOM 153 O SER A 10 4.039 8.879 -7.075 1.00 0.00 O ATOM 154 CB SER A 10 7.249 8.677 -6.660 1.00 0.00 C ATOM 155 OG SER A 10 6.815 8.350 -7.971 1.00 0.00 O ATOM 0 H SER A 10 4.706 7.191 -5.600 1.00 0.00 H new ATOM 0 HA SER A 10 6.250 9.491 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.841 9.592 -6.678 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.893 7.889 -6.271 1.00 0.00 H new ATOM 0 HG SER A 10 7.594 8.236 -8.555 1.00 0.00 H new ATOM 161 N PRO A 11 4.920 10.843 -6.496 1.00 0.00 N ATOM 162 CA PRO A 11 3.883 11.643 -7.182 1.00 0.00 C ATOM 163 C PRO A 11 4.231 11.820 -8.661 1.00 0.00 C ATOM 164 O PRO A 11 3.372 12.050 -9.488 1.00 0.00 O ATOM 165 CB PRO A 11 3.938 12.981 -6.453 1.00 0.00 C ATOM 166 CG PRO A 11 5.326 13.080 -5.888 1.00 0.00 C ATOM 167 CD PRO A 11 5.917 11.690 -5.841 1.00 0.00 C ATOM 0 HA PRO A 11 2.896 11.181 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.733 13.807 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.189 13.027 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.942 13.734 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.300 13.516 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.875 11.649 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.096 11.370 -4.815 1.00 0.00 H new ATOM 175 N THR A 12 5.487 11.713 -9.003 1.00 0.00 N ATOM 176 CA THR A 12 5.881 11.878 -10.434 1.00 0.00 C ATOM 177 C THR A 12 5.591 10.591 -11.210 1.00 0.00 C ATOM 178 O THR A 12 6.082 10.387 -12.301 1.00 0.00 O ATOM 179 CB THR A 12 7.393 12.154 -10.389 1.00 0.00 C ATOM 180 OG1 THR A 12 7.783 12.810 -11.586 1.00 0.00 O ATOM 181 CG2 THR A 12 8.159 10.836 -10.253 1.00 0.00 C ATOM 0 H THR A 12 6.254 11.520 -8.359 1.00 0.00 H new ATOM 0 HA THR A 12 5.332 12.677 -10.932 1.00 0.00 H new ATOM 0 HB THR A 12 7.621 12.787 -9.531 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.389 12.348 -12.355 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.229 11.039 -10.222 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.858 10.333 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.936 10.196 -11.106 1.00 0.00 H new ATOM 189 N CYS A 13 4.832 9.703 -10.629 1.00 0.00 N ATOM 190 CA CYS A 13 4.504 8.424 -11.313 1.00 0.00 C ATOM 191 C CYS A 13 3.265 7.789 -10.679 1.00 0.00 C ATOM 192 O CYS A 13 2.678 8.342 -9.772 1.00 0.00 O ATOM 193 CB CYS A 13 5.740 7.564 -11.167 1.00 0.00 C ATOM 194 SG CYS A 13 6.309 7.025 -12.802 1.00 0.00 S ATOM 0 H CYS A 13 4.422 9.812 -9.701 1.00 0.00 H new ATOM 0 HA CYS A 13 4.257 8.558 -12.366 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.528 8.125 -10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.520 6.697 -10.544 1.00 0.00 H new ATOM 0 HG CYS A 13 7.372 6.289 -12.670 1.00 0.00 H new ATOM 200 N PRO A 14 2.958 6.601 -11.129 1.00 0.00 N ATOM 201 CA PRO A 14 1.823 5.846 -10.565 1.00 0.00 C ATOM 202 C PRO A 14 2.250 5.089 -9.303 1.00 0.00 C ATOM 203 O PRO A 14 3.025 4.155 -9.364 1.00 0.00 O ATOM 204 CB PRO A 14 1.467 4.869 -11.678 1.00 0.00 C ATOM 205 CG PRO A 14 2.728 4.684 -12.472 1.00 0.00 C ATOM 206 CD PRO A 14 3.632 5.861 -12.199 1.00 0.00 C ATOM 0 HA PRO A 14 0.990 6.484 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.118 3.920 -11.270 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.665 5.262 -12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.221 3.753 -12.192 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.501 4.617 -13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.626 5.535 -11.891 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.760 6.478 -13.088 1.00 0.00 H new ATOM 214 N TYR A 15 1.749 5.481 -8.164 1.00 0.00 N ATOM 215 CA TYR A 15 2.126 4.776 -6.904 1.00 0.00 C ATOM 216 C TYR A 15 1.965 3.263 -7.093 1.00 0.00 C ATOM 217 O TYR A 15 2.708 2.638 -7.823 1.00 0.00 O ATOM 218 CB TYR A 15 1.146 5.298 -5.851 1.00 0.00 C ATOM 219 CG TYR A 15 1.007 6.793 -5.984 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.110 7.622 -5.745 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.224 7.352 -6.352 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.980 9.011 -5.872 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.352 8.741 -6.479 1.00 0.00 C ATOM 224 CZ TYR A 15 0.751 9.571 -6.239 1.00 0.00 C ATOM 225 OH TYR A 15 0.626 10.939 -6.363 1.00 0.00 O ATOM 0 H TYR A 15 1.097 6.257 -8.050 1.00 0.00 H new ATOM 0 HA TYR A 15 3.161 4.956 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.174 4.820 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.501 5.043 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.059 7.191 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.074 6.712 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.830 9.651 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.301 9.172 -6.762 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.292 11.161 -6.625 1.00 0.00 H new ATOM 235 N CYS A 16 0.996 2.668 -6.449 1.00 0.00 N ATOM 236 CA CYS A 16 0.784 1.202 -6.602 1.00 0.00 C ATOM 237 C CYS A 16 -0.677 0.835 -6.309 1.00 0.00 C ATOM 238 O CYS A 16 -0.950 -0.171 -5.684 1.00 0.00 O ATOM 239 CB CYS A 16 1.712 0.561 -5.570 1.00 0.00 C ATOM 240 SG CYS A 16 3.414 0.586 -6.188 1.00 0.00 S ATOM 0 H CYS A 16 0.342 3.137 -5.823 1.00 0.00 H new ATOM 0 HA CYS A 16 0.996 0.861 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.649 1.100 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.401 -0.465 -5.373 1.00 0.00 H new ATOM 0 HG CYS A 16 3.515 1.459 -7.146 1.00 0.00 H new ATOM 246 N PRO A 17 -1.572 1.673 -6.765 1.00 0.00 N ATOM 247 CA PRO A 17 -3.024 1.440 -6.540 1.00 0.00 C ATOM 248 C PRO A 17 -3.557 0.366 -7.494 1.00 0.00 C ATOM 249 O PRO A 17 -4.752 0.258 -7.706 1.00 0.00 O ATOM 250 CB PRO A 17 -3.649 2.793 -6.870 1.00 0.00 C ATOM 251 CG PRO A 17 -2.691 3.447 -7.818 1.00 0.00 C ATOM 252 CD PRO A 17 -1.320 2.905 -7.521 1.00 0.00 C ATOM 0 HA PRO A 17 -3.247 1.092 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.632 2.672 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.785 3.394 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.971 3.238 -8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.710 4.530 -7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.765 2.703 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.729 3.614 -6.941 1.00 0.00 H new ATOM 260 N MET A 18 -2.688 -0.408 -8.097 1.00 0.00 N ATOM 261 CA MET A 18 -3.183 -1.460 -9.032 1.00 0.00 C ATOM 262 C MET A 18 -3.372 -2.808 -8.335 1.00 0.00 C ATOM 263 O MET A 18 -4.469 -3.300 -8.196 1.00 0.00 O ATOM 264 CB MET A 18 -2.079 -1.566 -10.089 1.00 0.00 C ATOM 265 CG MET A 18 -2.002 -3.004 -10.613 1.00 0.00 C ATOM 266 SD MET A 18 -0.509 -3.805 -9.974 1.00 0.00 S ATOM 267 CE MET A 18 0.464 -3.725 -11.491 1.00 0.00 C ATOM 0 H MET A 18 -1.675 -0.358 -7.984 1.00 0.00 H new ATOM 0 HA MET A 18 -4.158 -1.202 -9.444 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.282 -0.880 -10.911 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.121 -1.274 -9.659 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.886 -3.562 -10.305 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.989 -3.004 -11.703 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.443 -4.173 -11.320 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.051 -4.270 -12.283 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.589 -2.684 -11.789 1.00 0.00 H new ATOM 277 N ALA A 19 -2.302 -3.390 -7.860 1.00 0.00 N ATOM 278 CA ALA A 19 -2.414 -4.704 -7.171 1.00 0.00 C ATOM 279 C ALA A 19 -3.374 -4.586 -5.996 1.00 0.00 C ATOM 280 O ALA A 19 -3.891 -5.565 -5.499 1.00 0.00 O ATOM 281 CB ALA A 19 -1.006 -5.016 -6.682 1.00 0.00 C ATOM 0 H ALA A 19 -1.357 -3.010 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.797 -5.488 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.006 -5.974 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.328 -5.066 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.676 -4.232 -6.000 1.00 0.00 H new ATOM 287 N ILE A 20 -3.629 -3.387 -5.556 1.00 0.00 N ATOM 288 CA ILE A 20 -4.567 -3.200 -4.419 1.00 0.00 C ATOM 289 C ILE A 20 -5.999 -3.385 -4.906 1.00 0.00 C ATOM 290 O ILE A 20 -6.823 -3.972 -4.238 1.00 0.00 O ATOM 291 CB ILE A 20 -4.339 -1.766 -3.937 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.247 -0.809 -4.716 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.880 -1.374 -4.164 1.00 0.00 C ATOM 294 CD1 ILE A 20 -6.699 -0.988 -4.259 1.00 0.00 C ATOM 0 H ILE A 20 -3.228 -2.529 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.401 -3.919 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.572 -1.705 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.929 0.221 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.165 -1.004 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.720 -0.352 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.231 -2.050 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.647 -1.440 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.342 -0.306 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.014 -2.015 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.775 -0.771 -3.194 1.00 0.00 H new ATOM 306 N GLU A 21 -6.298 -2.892 -6.078 1.00 0.00 N ATOM 307 CA GLU A 21 -7.670 -3.054 -6.614 1.00 0.00 C ATOM 308 C GLU A 21 -8.062 -4.524 -6.508 1.00 0.00 C ATOM 309 O GLU A 21 -9.206 -4.863 -6.284 1.00 0.00 O ATOM 310 CB GLU A 21 -7.584 -2.609 -8.074 1.00 0.00 C ATOM 311 CG GLU A 21 -8.937 -2.823 -8.755 1.00 0.00 C ATOM 312 CD GLU A 21 -10.043 -2.177 -7.916 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.757 -1.194 -7.250 1.00 0.00 O ATOM 314 OE2 GLU A 21 -11.154 -2.677 -7.948 1.00 0.00 O ATOM 0 H GLU A 21 -5.650 -2.386 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.418 -2.473 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.300 -1.558 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.811 -3.175 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.925 -2.389 -9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.132 -3.889 -8.873 1.00 0.00 H new ATOM 321 N VAL A 22 -7.103 -5.399 -6.647 1.00 0.00 N ATOM 322 CA VAL A 22 -7.402 -6.852 -6.532 1.00 0.00 C ATOM 323 C VAL A 22 -7.728 -7.185 -5.075 1.00 0.00 C ATOM 324 O VAL A 22 -8.676 -7.882 -4.783 1.00 0.00 O ATOM 325 CB VAL A 22 -6.122 -7.562 -6.978 1.00 0.00 C ATOM 326 CG1 VAL A 22 -6.027 -8.927 -6.291 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.153 -7.758 -8.496 1.00 0.00 C ATOM 0 H VAL A 22 -6.127 -5.169 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.256 -7.157 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.257 -6.957 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.115 -9.432 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.007 -8.790 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.891 -9.533 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.242 -8.264 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.018 -8.363 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.221 -6.787 -8.987 1.00 0.00 H new ATOM 337 N VAL A 23 -6.954 -6.671 -4.163 1.00 0.00 N ATOM 338 CA VAL A 23 -7.217 -6.917 -2.721 1.00 0.00 C ATOM 339 C VAL A 23 -8.495 -6.188 -2.307 1.00 0.00 C ATOM 340 O VAL A 23 -9.177 -6.574 -1.381 1.00 0.00 O ATOM 341 CB VAL A 23 -6.002 -6.380 -1.977 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.436 -5.273 -1.025 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.356 -7.517 -1.179 1.00 0.00 C ATOM 0 H VAL A 23 -6.142 -6.085 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.364 -7.974 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.283 -5.980 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.566 -4.889 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.899 -4.466 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.154 -5.671 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.485 -7.137 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.076 -7.914 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.046 -8.309 -1.860 1.00 0.00 H new ATOM 353 N ASP A 24 -8.803 -5.111 -2.976 1.00 0.00 N ATOM 354 CA ASP A 24 -10.022 -4.339 -2.636 1.00 0.00 C ATOM 355 C ASP A 24 -11.225 -5.093 -3.179 1.00 0.00 C ATOM 356 O ASP A 24 -12.280 -5.140 -2.584 1.00 0.00 O ATOM 357 CB ASP A 24 -9.859 -2.992 -3.333 1.00 0.00 C ATOM 358 CG ASP A 24 -10.660 -1.928 -2.587 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.730 -2.250 -2.105 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.188 -0.809 -2.512 1.00 0.00 O ATOM 0 H ASP A 24 -8.255 -4.733 -3.749 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.164 -4.202 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.806 -2.713 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.201 -3.062 -4.365 1.00 0.00 H new ATOM 365 N GLU A 25 -11.050 -5.689 -4.321 1.00 0.00 N ATOM 366 CA GLU A 25 -12.144 -6.465 -4.946 1.00 0.00 C ATOM 367 C GLU A 25 -12.571 -7.596 -4.010 1.00 0.00 C ATOM 368 O GLU A 25 -13.742 -7.851 -3.815 1.00 0.00 O ATOM 369 CB GLU A 25 -11.521 -7.022 -6.224 1.00 0.00 C ATOM 370 CG GLU A 25 -12.255 -6.457 -7.442 1.00 0.00 C ATOM 371 CD GLU A 25 -13.296 -7.468 -7.927 1.00 0.00 C ATOM 372 OE1 GLU A 25 -13.025 -8.655 -7.841 1.00 0.00 O ATOM 373 OE2 GLU A 25 -14.346 -7.039 -8.373 1.00 0.00 O ATOM 0 H GLU A 25 -10.180 -5.669 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.034 -5.870 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.464 -6.759 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.579 -8.110 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.740 -5.516 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.544 -6.240 -8.240 1.00 0.00 H new ATOM 380 N ALA A 26 -11.620 -8.273 -3.427 1.00 0.00 N ATOM 381 CA ALA A 26 -11.956 -9.386 -2.494 1.00 0.00 C ATOM 382 C ALA A 26 -12.333 -8.828 -1.127 1.00 0.00 C ATOM 383 O ALA A 26 -13.249 -9.298 -0.480 1.00 0.00 O ATOM 384 CB ALA A 26 -10.683 -10.220 -2.401 1.00 0.00 C ATOM 0 H ALA A 26 -10.623 -8.103 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.804 -9.976 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.848 -11.063 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.418 -10.591 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.871 -9.603 -2.016 1.00 0.00 H new ATOM 390 N LYS A 27 -11.632 -7.819 -0.677 1.00 0.00 N ATOM 391 CA LYS A 27 -11.962 -7.244 0.656 1.00 0.00 C ATOM 392 C LYS A 27 -13.305 -6.536 0.577 1.00 0.00 C ATOM 393 O LYS A 27 -14.001 -6.389 1.562 1.00 0.00 O ATOM 394 CB LYS A 27 -10.832 -6.250 0.943 1.00 0.00 C ATOM 395 CG LYS A 27 -9.646 -6.984 1.570 1.00 0.00 C ATOM 396 CD LYS A 27 -10.149 -8.157 2.415 1.00 0.00 C ATOM 397 CE LYS A 27 -10.370 -9.382 1.518 1.00 0.00 C ATOM 398 NZ LYS A 27 -9.002 -9.861 1.176 1.00 0.00 N ATOM 0 H LYS A 27 -10.856 -7.375 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.040 -7.996 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.522 -5.761 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.185 -5.468 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.977 -7.347 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.069 -6.298 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.426 -8.392 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.080 -7.886 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.940 -10.153 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.932 -9.119 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.960 -10.895 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.779 -9.602 0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.310 -9.421 1.816 1.00 0.00 H new ATOM 412 N LYS A 28 -13.704 -6.152 -0.602 1.00 0.00 N ATOM 413 CA LYS A 28 -15.032 -5.507 -0.763 1.00 0.00 C ATOM 414 C LYS A 28 -16.103 -6.564 -0.531 1.00 0.00 C ATOM 415 O LYS A 28 -17.086 -6.346 0.151 1.00 0.00 O ATOM 416 CB LYS A 28 -15.063 -5.037 -2.213 1.00 0.00 C ATOM 417 CG LYS A 28 -15.144 -3.514 -2.260 1.00 0.00 C ATOM 418 CD LYS A 28 -14.770 -3.021 -3.659 1.00 0.00 C ATOM 419 CE LYS A 28 -15.848 -2.063 -4.171 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.337 -2.675 -5.438 1.00 0.00 N ATOM 0 H LYS A 28 -13.166 -6.258 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.203 -4.683 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.170 -5.379 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.920 -5.472 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.152 -3.186 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.471 -3.081 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.804 -2.517 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.669 -3.867 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.656 -1.955 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.441 -1.067 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.080 -2.074 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.548 -2.759 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.725 -3.619 -5.240 1.00 0.00 H new ATOM 434 N GLU A 29 -15.888 -7.723 -1.087 1.00 0.00 N ATOM 435 CA GLU A 29 -16.849 -8.842 -0.913 1.00 0.00 C ATOM 436 C GLU A 29 -17.170 -8.996 0.570 1.00 0.00 C ATOM 437 O GLU A 29 -18.299 -9.208 0.961 1.00 0.00 O ATOM 438 CB GLU A 29 -16.080 -10.056 -1.441 1.00 0.00 C ATOM 439 CG GLU A 29 -15.848 -11.072 -0.317 1.00 0.00 C ATOM 440 CD GLU A 29 -17.064 -11.993 -0.202 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.773 -12.132 -1.184 1.00 0.00 O ATOM 442 OE2 GLU A 29 -17.264 -12.545 0.867 1.00 0.00 O ATOM 0 H GLU A 29 -15.075 -7.943 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.798 -8.700 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.638 -10.523 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.123 -9.737 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.952 -11.659 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.681 -10.554 0.627 1.00 0.00 H new ATOM 449 N PHE A 30 -16.182 -8.847 1.396 1.00 0.00 N ATOM 450 CA PHE A 30 -16.399 -8.973 2.856 1.00 0.00 C ATOM 451 C PHE A 30 -16.772 -7.602 3.420 1.00 0.00 C ATOM 452 O PHE A 30 -17.787 -7.445 4.072 1.00 0.00 O ATOM 453 CB PHE A 30 -15.050 -9.447 3.424 1.00 0.00 C ATOM 454 CG PHE A 30 -14.588 -8.500 4.509 1.00 0.00 C ATOM 455 CD1 PHE A 30 -15.429 -8.212 5.592 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.323 -7.906 4.427 1.00 0.00 C ATOM 457 CE1 PHE A 30 -15.006 -7.330 6.592 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.899 -7.025 5.428 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.740 -6.736 6.511 1.00 0.00 C ATOM 0 H PHE A 30 -15.222 -8.641 1.119 1.00 0.00 H new ATOM 0 HA PHE A 30 -17.201 -9.666 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -15.149 -10.455 3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.306 -9.493 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.404 -8.671 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.675 -8.128 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.655 -7.107 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.923 -6.567 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.412 -6.056 7.283 1.00 0.00 H new ATOM 469 N GLY A 31 -15.936 -6.625 3.213 1.00 0.00 N ATOM 470 CA GLY A 31 -16.221 -5.255 3.718 1.00 0.00 C ATOM 471 C GLY A 31 -16.834 -4.391 2.615 1.00 0.00 C ATOM 472 O GLY A 31 -16.139 -3.577 2.024 1.00 0.00 O ATOM 0 H GLY A 31 -15.055 -6.719 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.903 -5.309 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.300 -4.796 4.078 1.00 0.00 H new ATOM 476 N ASP A 32 -18.085 -4.543 2.318 1.00 0.00 N ATOM 477 CA ASP A 32 -18.689 -3.709 1.239 1.00 0.00 C ATOM 478 C ASP A 32 -18.025 -2.324 1.193 1.00 0.00 C ATOM 479 O ASP A 32 -17.980 -1.681 0.171 1.00 0.00 O ATOM 480 CB ASP A 32 -20.164 -3.576 1.647 1.00 0.00 C ATOM 481 CG ASP A 32 -20.653 -2.153 1.369 1.00 0.00 C ATOM 482 OD1 ASP A 32 -21.053 -1.895 0.247 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.612 -1.345 2.282 1.00 0.00 O ATOM 0 H ASP A 32 -18.719 -5.203 2.769 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.562 -4.151 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.770 -4.293 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.281 -3.810 2.705 1.00 0.00 H new ATOM 488 N LYS A 33 -17.514 -1.871 2.301 1.00 0.00 N ATOM 489 CA LYS A 33 -16.813 -0.560 2.361 1.00 0.00 C ATOM 490 C LYS A 33 -15.341 -0.710 1.980 1.00 0.00 C ATOM 491 O LYS A 33 -14.779 -1.781 2.101 1.00 0.00 O ATOM 492 CB LYS A 33 -16.982 -0.055 3.777 1.00 0.00 C ATOM 493 CG LYS A 33 -18.123 -0.817 4.454 1.00 0.00 C ATOM 494 CD LYS A 33 -18.794 0.082 5.489 1.00 0.00 C ATOM 495 CE LYS A 33 -18.997 -0.698 6.789 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.275 0.339 7.821 1.00 0.00 N ATOM 0 H LYS A 33 -17.554 -2.368 3.191 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.232 0.151 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.056 -0.191 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.197 1.014 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.851 -1.139 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.739 -1.717 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.180 0.963 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.753 0.436 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.826 -1.401 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.111 -1.280 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.425 -0.120 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.466 0.990 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.128 0.872 7.556 1.00 0.00 H new ATOM 510 N ILE A 34 -14.702 0.339 1.543 1.00 0.00 N ATOM 511 CA ILE A 34 -13.259 0.218 1.193 1.00 0.00 C ATOM 512 C ILE A 34 -12.439 1.313 1.883 1.00 0.00 C ATOM 513 O ILE A 34 -12.948 2.350 2.257 1.00 0.00 O ATOM 514 CB ILE A 34 -13.215 0.402 -0.324 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.661 -0.891 -1.007 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.790 0.742 -0.760 1.00 0.00 C ATOM 517 CD1 ILE A 34 -15.068 -1.259 -0.537 1.00 0.00 C ATOM 0 H ILE A 34 -15.110 1.265 1.414 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.838 -0.735 1.512 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.883 1.215 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.649 -0.765 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.966 -1.697 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.762 0.873 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.471 1.665 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.119 -0.068 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.385 -2.181 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.065 -1.402 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.759 -0.456 -0.794 1.00 0.00 H new ATOM 529 N ASP A 35 -11.161 1.086 2.037 1.00 0.00 N ATOM 530 CA ASP A 35 -10.290 2.096 2.687 1.00 0.00 C ATOM 531 C ASP A 35 -8.879 1.982 2.117 1.00 0.00 C ATOM 532 O ASP A 35 -7.932 1.689 2.823 1.00 0.00 O ATOM 533 CB ASP A 35 -10.304 1.743 4.177 1.00 0.00 C ATOM 534 CG ASP A 35 -10.370 3.025 5.009 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.893 4.043 4.533 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.896 2.968 6.108 1.00 0.00 O ATOM 0 H ASP A 35 -10.684 0.236 1.736 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.630 3.118 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.160 1.107 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.409 1.176 4.435 1.00 0.00 H new ATOM 541 N VAL A 36 -8.728 2.217 0.843 1.00 0.00 N ATOM 542 CA VAL A 36 -7.378 2.094 0.240 1.00 0.00 C ATOM 543 C VAL A 36 -6.666 3.440 0.286 1.00 0.00 C ATOM 544 O VAL A 36 -7.056 4.403 -0.347 1.00 0.00 O ATOM 545 CB VAL A 36 -7.645 1.698 -1.227 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.315 1.540 -1.968 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.407 0.375 -1.264 1.00 0.00 C ATOM 0 H VAL A 36 -9.474 2.486 0.202 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.752 1.372 0.763 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.237 2.475 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.507 1.260 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.770 2.483 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.720 0.764 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.597 0.093 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.813 -0.400 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.356 0.487 -0.739 1.00 0.00 H new ATOM 557 N GLU A 37 -5.584 3.503 1.023 1.00 0.00 N ATOM 558 CA GLU A 37 -4.853 4.798 1.127 1.00 0.00 C ATOM 559 C GLU A 37 -3.682 4.786 0.147 1.00 0.00 C ATOM 560 O GLU A 37 -3.086 3.777 -0.128 1.00 0.00 O ATOM 561 CB GLU A 37 -4.298 4.809 2.570 1.00 0.00 C ATOM 562 CG GLU A 37 -5.452 4.940 3.566 1.00 0.00 C ATOM 563 CD GLU A 37 -6.642 5.615 2.878 1.00 0.00 C ATOM 564 OE1 GLU A 37 -6.562 6.808 2.638 1.00 0.00 O ATOM 565 OE2 GLU A 37 -7.607 4.924 2.597 1.00 0.00 O ATOM 0 H GLU A 37 -5.183 2.726 1.548 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.483 5.660 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.741 3.892 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.601 5.638 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.741 3.956 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.137 5.525 4.430 1.00 0.00 H new ATOM 572 N LYS A 38 -3.382 5.920 -0.420 1.00 0.00 N ATOM 573 CA LYS A 38 -2.304 6.006 -1.444 1.00 0.00 C ATOM 574 C LYS A 38 -1.470 7.274 -1.272 1.00 0.00 C ATOM 575 O LYS A 38 -2.010 8.364 -1.257 1.00 0.00 O ATOM 576 CB LYS A 38 -2.988 5.985 -2.797 1.00 0.00 C ATOM 577 CG LYS A 38 -4.038 7.086 -2.841 1.00 0.00 C ATOM 578 CD LYS A 38 -5.379 6.533 -2.356 1.00 0.00 C ATOM 579 CE LYS A 38 -6.157 5.965 -3.544 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.200 7.073 -4.540 1.00 0.00 N ATOM 0 H LYS A 38 -3.845 6.805 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.611 5.171 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.256 6.132 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.453 5.014 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.729 7.922 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.137 7.469 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.215 5.755 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.956 7.322 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.664 5.084 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.161 5.660 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.100 7.038 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.120 7.986 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.410 6.970 -5.208 1.00 0.00 H new ATOM 594 N ILE A 39 -0.190 7.154 -1.073 1.00 0.00 N ATOM 595 CA ILE A 39 0.660 8.364 -0.881 1.00 0.00 C ATOM 596 C ILE A 39 1.874 8.320 -1.824 1.00 0.00 C ATOM 597 O ILE A 39 2.049 7.397 -2.587 1.00 0.00 O ATOM 598 CB ILE A 39 1.089 8.324 0.564 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.873 6.910 1.113 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.263 9.320 1.380 1.00 0.00 C ATOM 601 CD1 ILE A 39 -0.624 6.656 1.295 1.00 0.00 C ATOM 0 H ILE A 39 0.309 6.265 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 39 0.124 9.285 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 39 2.143 8.592 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.297 6.174 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.390 6.795 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.578 9.286 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.415 10.326 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.793 9.059 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.778 5.650 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.034 7.384 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.129 6.753 0.334 1.00 0.00 H new ATOM 613 N ASP A 40 2.691 9.335 -1.793 1.00 0.00 N ATOM 614 CA ASP A 40 3.913 9.375 -2.634 1.00 0.00 C ATOM 615 C ASP A 40 5.179 9.334 -1.769 1.00 0.00 C ATOM 616 O ASP A 40 5.129 9.583 -0.581 1.00 0.00 O ATOM 617 CB ASP A 40 3.769 10.619 -3.480 1.00 0.00 C ATOM 618 CG ASP A 40 4.843 11.634 -3.117 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.970 11.231 -2.898 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.521 12.804 -3.071 1.00 0.00 O ATOM 0 H ASP A 40 2.557 10.157 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 40 4.019 8.504 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.847 10.360 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.782 11.056 -3.331 1.00 0.00 H new ATOM 625 N ILE A 41 6.304 9.077 -2.361 1.00 0.00 N ATOM 626 CA ILE A 41 7.576 9.075 -1.583 1.00 0.00 C ATOM 627 C ILE A 41 7.747 10.337 -0.717 1.00 0.00 C ATOM 628 O ILE A 41 8.247 10.266 0.386 1.00 0.00 O ATOM 629 CB ILE A 41 8.686 9.005 -2.639 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.953 9.680 -2.107 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.234 9.714 -3.918 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.840 10.105 -3.278 1.00 0.00 C ATOM 0 H ILE A 41 6.403 8.867 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 41 7.596 8.239 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 41 8.897 7.959 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.688 10.549 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.496 8.995 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.027 9.660 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.338 9.229 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.014 10.758 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.741 10.585 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.116 9.227 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.296 10.806 -3.911 1.00 0.00 H new ATOM 644 N MET A 42 7.366 11.483 -1.205 1.00 0.00 N ATOM 645 CA MET A 42 7.525 12.726 -0.398 1.00 0.00 C ATOM 646 C MET A 42 6.319 12.958 0.519 1.00 0.00 C ATOM 647 O MET A 42 6.293 13.899 1.289 1.00 0.00 O ATOM 648 CB MET A 42 7.679 13.851 -1.422 1.00 0.00 C ATOM 649 CG MET A 42 6.334 14.542 -1.649 1.00 0.00 C ATOM 650 SD MET A 42 6.617 16.248 -2.179 1.00 0.00 S ATOM 651 CE MET A 42 4.883 16.763 -2.219 1.00 0.00 C ATOM 0 H MET A 42 6.951 11.614 -2.128 1.00 0.00 H new ATOM 0 HA MET A 42 8.386 12.668 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.414 14.575 -1.071 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.053 13.448 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.760 14.005 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.746 14.527 -0.731 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.820 17.807 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.335 16.142 -2.927 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.447 16.652 -1.226 1.00 0.00 H new ATOM 661 N VAL A 43 5.318 12.129 0.440 1.00 0.00 N ATOM 662 CA VAL A 43 4.120 12.334 1.307 1.00 0.00 C ATOM 663 C VAL A 43 4.040 11.221 2.351 1.00 0.00 C ATOM 664 O VAL A 43 3.776 11.465 3.510 1.00 0.00 O ATOM 665 CB VAL A 43 2.912 12.283 0.367 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.388 12.226 -1.078 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.078 11.043 0.678 1.00 0.00 C ATOM 0 H VAL A 43 5.274 11.322 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 43 4.161 13.281 1.846 1.00 0.00 H new ATOM 0 HB VAL A 43 2.305 13.177 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.526 12.190 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.982 13.113 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.998 11.335 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.218 11.006 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.687 10.150 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.733 11.086 1.711 1.00 0.00 H new ATOM 677 N ASP A 44 4.260 9.999 1.947 1.00 0.00 N ATOM 678 CA ASP A 44 4.189 8.876 2.921 1.00 0.00 C ATOM 679 C ASP A 44 5.575 8.275 3.127 1.00 0.00 C ATOM 680 O ASP A 44 5.745 7.066 3.141 1.00 0.00 O ATOM 681 CB ASP A 44 3.242 7.858 2.295 1.00 0.00 C ATOM 682 CG ASP A 44 3.346 6.526 3.036 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.168 5.714 2.645 1.00 0.00 O ATOM 684 OD2 ASP A 44 2.604 6.339 3.982 1.00 0.00 O ATOM 0 H ASP A 44 4.485 9.732 0.989 1.00 0.00 H new ATOM 0 HA ASP A 44 3.836 9.199 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.218 8.228 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.488 7.719 1.242 1.00 0.00 H new ATOM 689 N ARG A 45 6.577 9.099 3.301 1.00 0.00 N ATOM 690 CA ARG A 45 7.946 8.538 3.486 1.00 0.00 C ATOM 691 C ARG A 45 7.974 7.664 4.744 1.00 0.00 C ATOM 692 O ARG A 45 8.937 6.979 5.017 1.00 0.00 O ATOM 693 CB ARG A 45 8.825 9.781 3.726 1.00 0.00 C ATOM 694 CG ARG A 45 10.299 9.405 3.561 1.00 0.00 C ATOM 695 CD ARG A 45 10.979 10.401 2.619 1.00 0.00 C ATOM 696 NE ARG A 45 12.205 9.703 2.144 1.00 0.00 N ATOM 697 CZ ARG A 45 13.345 9.901 2.748 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.969 11.039 2.607 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.860 8.962 3.493 1.00 0.00 N ATOM 0 H ARG A 45 6.508 10.116 3.323 1.00 0.00 H new ATOM 0 HA ARG A 45 8.272 7.931 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.559 10.569 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.649 10.176 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.797 9.408 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.385 8.394 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.327 10.665 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.227 11.328 3.136 1.00 0.00 H new ATOM 0 HE ARG A 45 12.154 9.070 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.566 11.773 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.860 11.194 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.372 8.073 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.751 9.117 3.965 1.00 0.00 H new ATOM 713 N GLU A 46 6.889 7.629 5.466 1.00 0.00 N ATOM 714 CA GLU A 46 6.797 6.755 6.672 1.00 0.00 C ATOM 715 C GLU A 46 7.116 5.312 6.303 1.00 0.00 C ATOM 716 O GLU A 46 7.425 4.499 7.145 1.00 0.00 O ATOM 717 CB GLU A 46 5.367 6.886 7.185 1.00 0.00 C ATOM 718 CG GLU A 46 4.822 8.278 6.854 1.00 0.00 C ATOM 719 CD GLU A 46 5.933 9.322 7.012 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.869 9.056 7.750 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.837 10.359 6.381 1.00 0.00 O ATOM 0 H GLU A 46 6.050 8.176 5.270 1.00 0.00 H new ATOM 0 HA GLU A 46 7.513 7.051 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.737 6.121 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.341 6.722 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.437 8.295 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.988 8.518 7.514 1.00 0.00 H new ATOM 728 N LYS A 47 7.020 4.979 5.052 1.00 0.00 N ATOM 729 CA LYS A 47 7.311 3.584 4.643 1.00 0.00 C ATOM 730 C LYS A 47 8.647 3.140 5.217 1.00 0.00 C ATOM 731 O LYS A 47 8.756 2.170 5.925 1.00 0.00 O ATOM 732 CB LYS A 47 7.418 3.610 3.116 1.00 0.00 C ATOM 733 CG LYS A 47 8.660 2.818 2.690 1.00 0.00 C ATOM 734 CD LYS A 47 8.532 1.376 3.179 1.00 0.00 C ATOM 735 CE LYS A 47 9.898 0.706 3.140 1.00 0.00 C ATOM 736 NZ LYS A 47 9.853 -0.329 4.210 1.00 0.00 N ATOM 0 H LYS A 47 6.753 5.610 4.297 1.00 0.00 H new ATOM 0 HA LYS A 47 6.539 2.901 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.523 3.177 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.487 4.638 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.764 2.838 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.558 3.276 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.135 1.358 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.828 0.829 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.089 0.257 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.696 1.426 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.284 -1.209 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.380 0.008 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.864 -0.510 4.477 1.00 0.00 H new ATOM 750 N ALA A 48 9.665 3.838 4.875 1.00 0.00 N ATOM 751 CA ALA A 48 11.016 3.562 5.357 1.00 0.00 C ATOM 752 C ALA A 48 11.117 3.783 6.846 1.00 0.00 C ATOM 753 O ALA A 48 12.199 3.748 7.400 1.00 0.00 O ATOM 754 CB ALA A 48 11.970 4.324 4.512 1.00 0.00 C ATOM 0 H ALA A 48 9.609 4.636 4.243 1.00 0.00 H new ATOM 0 HA ALA A 48 11.283 2.511 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.988 4.135 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.869 4.008 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.754 5.390 4.589 1.00 0.00 H new ATOM 760 N ILE A 49 10.058 4.173 7.501 1.00 0.00 N ATOM 761 CA ILE A 49 10.207 4.450 8.942 1.00 0.00 C ATOM 762 C ILE A 49 11.213 3.417 9.418 1.00 0.00 C ATOM 763 O ILE A 49 12.096 3.680 10.203 1.00 0.00 O ATOM 764 CB ILE A 49 8.823 4.213 9.565 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.203 2.926 8.997 1.00 0.00 C ATOM 766 CG2 ILE A 49 7.913 5.400 9.249 1.00 0.00 C ATOM 767 CD1 ILE A 49 8.850 1.709 9.660 1.00 0.00 C ATOM 0 H ILE A 49 9.126 4.307 7.109 1.00 0.00 H new ATOM 0 HA ILE A 49 10.541 5.456 9.196 1.00 0.00 H new ATOM 0 HB ILE A 49 8.930 4.110 10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.127 2.920 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.349 2.885 7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.931 5.233 9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.346 6.311 9.662 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.812 5.504 8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.409 0.797 9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.922 1.713 9.461 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.681 1.748 10.736 1.00 0.00 H new ATOM 779 N GLU A 50 11.106 2.243 8.852 1.00 0.00 N ATOM 780 CA GLU A 50 12.058 1.157 9.160 1.00 0.00 C ATOM 781 C GLU A 50 13.486 1.662 8.925 1.00 0.00 C ATOM 782 O GLU A 50 14.330 1.577 9.794 1.00 0.00 O ATOM 783 CB GLU A 50 11.690 0.056 8.166 1.00 0.00 C ATOM 784 CG GLU A 50 10.897 -1.035 8.886 1.00 0.00 C ATOM 785 CD GLU A 50 11.443 -2.409 8.494 1.00 0.00 C ATOM 786 OE1 GLU A 50 11.305 -2.770 7.337 1.00 0.00 O ATOM 787 OE2 GLU A 50 11.989 -3.075 9.357 1.00 0.00 O ATOM 0 H GLU A 50 10.382 1.995 8.178 1.00 0.00 H new ATOM 0 HA GLU A 50 12.011 0.806 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.099 0.471 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.592 -0.367 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.968 -0.898 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.841 -0.964 8.625 1.00 0.00 H new ATOM 794 N TYR A 51 13.761 2.207 7.766 1.00 0.00 N ATOM 795 CA TYR A 51 15.138 2.735 7.503 1.00 0.00 C ATOM 796 C TYR A 51 15.073 4.211 7.127 1.00 0.00 C ATOM 797 O TYR A 51 15.999 4.965 7.343 1.00 0.00 O ATOM 798 CB TYR A 51 15.683 1.925 6.324 1.00 0.00 C ATOM 799 CG TYR A 51 14.687 1.892 5.190 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.480 1.202 5.334 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.983 2.540 3.986 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.570 1.160 4.277 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.070 2.501 2.926 1.00 0.00 C ATOM 804 CZ TYR A 51 12.863 1.811 3.070 1.00 0.00 C ATOM 805 OH TYR A 51 11.963 1.772 2.025 1.00 0.00 O ATOM 0 H TYR A 51 13.100 2.309 6.996 1.00 0.00 H new ATOM 0 HA TYR A 51 15.773 2.644 8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.620 2.362 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.906 0.908 6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.252 0.701 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.917 3.071 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.638 0.625 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.298 3.004 1.998 1.00 0.00 H new ATOM 0 HH TYR A 51 12.407 2.058 1.200 1.00 0.00 H new ATOM 815 N GLY A 52 13.983 4.614 6.554 1.00 0.00 N ATOM 816 CA GLY A 52 13.808 6.032 6.133 1.00 0.00 C ATOM 817 C GLY A 52 15.100 6.584 5.520 1.00 0.00 C ATOM 818 O GLY A 52 15.250 7.770 5.345 1.00 0.00 O ATOM 0 H GLY A 52 13.186 4.011 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.997 6.103 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.521 6.638 6.992 1.00 0.00 H new ATOM 822 N LEU A 53 16.026 5.736 5.187 1.00 0.00 N ATOM 823 CA LEU A 53 17.287 6.182 4.549 1.00 0.00 C ATOM 824 C LEU A 53 17.061 6.271 3.041 1.00 0.00 C ATOM 825 O LEU A 53 17.195 7.297 2.411 1.00 0.00 O ATOM 826 CB LEU A 53 18.351 5.171 4.931 1.00 0.00 C ATOM 827 CG LEU A 53 18.595 5.237 6.443 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.828 3.824 6.979 1.00 0.00 C ATOM 829 CD2 LEU A 53 19.829 6.099 6.724 1.00 0.00 C ATOM 0 H LEU A 53 15.959 4.729 5.334 1.00 0.00 H new ATOM 0 HA LEU A 53 17.610 7.169 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.034 4.168 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.276 5.378 4.393 1.00 0.00 H new ATOM 0 HG LEU A 53 17.727 5.676 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.002 3.867 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.951 3.209 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.698 3.387 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.003 6.146 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.699 5.660 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.665 7.105 6.338 1.00 0.00 H new ATOM 841 N MET A 54 16.769 5.137 2.464 1.00 0.00 N ATOM 842 CA MET A 54 16.511 5.045 1.011 1.00 0.00 C ATOM 843 C MET A 54 15.012 4.838 0.806 1.00 0.00 C ATOM 844 O MET A 54 14.597 3.879 0.166 1.00 0.00 O ATOM 845 CB MET A 54 17.308 3.848 0.534 1.00 0.00 C ATOM 846 CG MET A 54 18.795 4.207 0.503 1.00 0.00 C ATOM 847 SD MET A 54 19.772 2.691 0.343 1.00 0.00 S ATOM 848 CE MET A 54 20.232 2.899 -1.394 1.00 0.00 C ATOM 0 H MET A 54 16.698 4.249 2.960 1.00 0.00 H new ATOM 0 HA MET A 54 16.802 5.939 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.141 2.999 1.197 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.974 3.547 -0.459 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.002 4.877 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.072 4.738 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.850 2.059 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 54 19.331 2.937 -2.007 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.792 3.826 -1.514 1.00 0.00 H new ATOM 858 N ALA A 55 14.201 5.688 1.359 1.00 0.00 N ATOM 859 CA ALA A 55 12.733 5.464 1.250 1.00 0.00 C ATOM 860 C ALA A 55 12.134 6.316 0.137 1.00 0.00 C ATOM 861 O ALA A 55 12.039 7.520 0.203 1.00 0.00 O ATOM 862 CB ALA A 55 12.204 5.980 2.604 1.00 0.00 C ATOM 0 H ALA A 55 14.483 6.520 1.877 1.00 0.00 H new ATOM 0 HA ALA A 55 12.484 4.426 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.121 5.864 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.657 5.407 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.460 7.033 2.717 1.00 0.00 H new ATOM 868 N VAL A 56 11.702 5.654 -0.915 1.00 0.00 N ATOM 869 CA VAL A 56 11.091 6.381 -2.062 1.00 0.00 C ATOM 870 C VAL A 56 9.991 5.531 -2.711 1.00 0.00 C ATOM 871 O VAL A 56 8.819 5.824 -2.533 1.00 0.00 O ATOM 872 CB VAL A 56 12.236 6.658 -3.041 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.556 8.149 -3.039 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.483 5.877 -2.611 1.00 0.00 C ATOM 0 H VAL A 56 11.749 4.641 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 56 10.616 7.310 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 56 11.936 6.346 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.371 8.347 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.673 8.711 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.853 8.456 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.296 6.076 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.780 6.189 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.261 4.810 -2.608 1.00 0.00 H new ATOM 884 N PRO A 57 10.361 4.443 -3.351 1.00 0.00 N ATOM 885 CA PRO A 57 9.330 3.582 -3.959 1.00 0.00 C ATOM 886 C PRO A 57 8.986 2.440 -3.008 1.00 0.00 C ATOM 887 O PRO A 57 9.698 1.491 -2.831 1.00 0.00 O ATOM 888 CB PRO A 57 10.100 2.968 -5.156 1.00 0.00 C ATOM 889 CG PRO A 57 11.560 3.008 -4.783 1.00 0.00 C ATOM 890 CD PRO A 57 11.725 3.985 -3.647 1.00 0.00 C ATOM 0 HA PRO A 57 8.411 4.113 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.774 1.945 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.916 3.534 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.905 2.017 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.163 3.313 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.181 3.510 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.370 4.817 -3.930 1.00 0.00 H new ATOM 898 N ALA A 58 7.841 2.558 -2.355 1.00 0.00 N ATOM 899 CA ALA A 58 7.439 1.499 -1.389 1.00 0.00 C ATOM 900 C ALA A 58 5.935 1.502 -1.149 1.00 0.00 C ATOM 901 O ALA A 58 5.211 2.349 -1.635 1.00 0.00 O ATOM 902 CB ALA A 58 8.183 1.825 -0.091 1.00 0.00 C ATOM 0 H ALA A 58 7.186 3.333 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 58 7.687 0.508 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.933 1.083 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.257 1.810 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.889 2.815 0.258 1.00 0.00 H new ATOM 908 N ILE A 59 5.465 0.549 -0.393 1.00 0.00 N ATOM 909 CA ILE A 59 4.010 0.470 -0.112 1.00 0.00 C ATOM 910 C ILE A 59 3.791 0.121 1.352 1.00 0.00 C ATOM 911 O ILE A 59 4.407 -0.788 1.886 1.00 0.00 O ATOM 912 CB ILE A 59 3.525 -0.695 -1.002 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.844 -0.130 -2.251 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.531 -1.560 -0.224 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.723 0.948 -2.877 1.00 0.00 C ATOM 0 H ILE A 59 6.031 -0.180 0.042 1.00 0.00 H new ATOM 0 HA ILE A 59 3.485 1.405 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 59 4.379 -1.306 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.664 -0.929 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.872 0.288 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.191 -2.381 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.017 -1.963 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.676 -0.953 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.233 1.346 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.880 1.752 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.685 0.517 -3.155 1.00 0.00 H new ATOM 927 N ALA A 60 2.875 0.794 2.008 1.00 0.00 N ATOM 928 CA ALA A 60 2.669 0.451 3.434 1.00 0.00 C ATOM 929 C ALA A 60 1.784 -0.763 3.472 1.00 0.00 C ATOM 930 O ALA A 60 0.820 -0.889 2.725 1.00 0.00 O ATOM 931 CB ALA A 60 1.919 1.667 4.037 1.00 0.00 C ATOM 0 H ALA A 60 2.286 1.536 1.629 1.00 0.00 H new ATOM 0 HA ALA A 60 3.592 0.245 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.729 1.489 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.529 2.563 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.971 1.805 3.516 1.00 0.00 H new ATOM 937 N ILE A 61 2.080 -1.682 4.358 1.00 0.00 N ATOM 938 CA ILE A 61 1.268 -2.907 4.327 1.00 0.00 C ATOM 939 C ILE A 61 0.071 -2.662 5.221 1.00 0.00 C ATOM 940 O ILE A 61 -0.044 -3.079 6.344 1.00 0.00 O ATOM 941 CB ILE A 61 2.212 -3.928 5.056 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.680 -3.598 4.743 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.900 -5.349 4.593 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.563 -4.811 5.036 1.00 0.00 C ATOM 0 H ILE A 61 2.814 -1.633 5.064 1.00 0.00 H new ATOM 0 HA ILE A 61 0.935 -3.224 3.339 1.00 0.00 H new ATOM 0 HB ILE A 61 2.046 -3.855 6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.781 -3.309 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.006 -2.748 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.559 -6.051 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.863 -5.589 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.055 -5.423 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.601 -4.568 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.473 -5.081 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.245 -5.650 4.418 1.00 0.00 H new ATOM 956 N ASN A 62 -0.920 -2.014 4.618 1.00 0.00 N ATOM 957 CA ASN A 62 -2.189 -1.728 5.333 1.00 0.00 C ATOM 958 C ASN A 62 -2.599 -2.962 6.111 1.00 0.00 C ATOM 959 O ASN A 62 -3.382 -3.764 5.657 1.00 0.00 O ATOM 960 CB ASN A 62 -3.201 -1.389 4.251 1.00 0.00 C ATOM 961 CG ASN A 62 -3.013 0.062 3.804 1.00 0.00 C ATOM 962 OD1 ASN A 62 -1.953 0.434 3.348 1.00 0.00 O ATOM 963 ND2 ASN A 62 -4.009 0.902 3.912 1.00 0.00 N ATOM 0 H ASN A 62 -0.886 -1.677 3.656 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.104 -0.907 6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.077 -2.060 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.213 -1.535 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.894 1.870 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.901 0.589 4.296 1.00 0.00 H new ATOM 970 N GLY A 63 -2.030 -3.119 7.271 1.00 0.00 N ATOM 971 CA GLY A 63 -2.305 -4.305 8.115 1.00 0.00 C ATOM 972 C GLY A 63 -1.185 -4.404 9.140 1.00 0.00 C ATOM 973 O GLY A 63 -1.411 -4.626 10.312 1.00 0.00 O ATOM 0 H GLY A 63 -1.369 -2.456 7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.271 -4.208 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.349 -5.208 7.506 1.00 0.00 H new ATOM 977 N VAL A 64 0.035 -4.227 8.695 1.00 0.00 N ATOM 978 CA VAL A 64 1.188 -4.296 9.627 1.00 0.00 C ATOM 979 C VAL A 64 2.049 -3.021 9.535 1.00 0.00 C ATOM 980 O VAL A 64 2.211 -2.325 10.517 1.00 0.00 O ATOM 981 CB VAL A 64 1.961 -5.541 9.195 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.010 -6.735 9.201 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.507 -5.356 7.782 1.00 0.00 C ATOM 0 H VAL A 64 0.276 -4.037 7.722 1.00 0.00 H new ATOM 0 HA VAL A 64 0.879 -4.359 10.670 1.00 0.00 H new ATOM 0 HB VAL A 64 2.790 -5.707 9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.549 -7.631 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.611 -6.877 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.190 -6.550 8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.056 -6.249 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.680 -5.191 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.175 -4.495 7.760 1.00 0.00 H new ATOM 993 N VAL A 65 2.606 -2.691 8.386 1.00 0.00 N ATOM 994 CA VAL A 65 3.451 -1.452 8.315 1.00 0.00 C ATOM 995 C VAL A 65 3.691 -0.993 6.870 1.00 0.00 C ATOM 996 O VAL A 65 2.809 -0.469 6.219 1.00 0.00 O ATOM 997 CB VAL A 65 4.782 -1.843 8.967 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.754 -0.663 8.886 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.550 -2.205 10.434 1.00 0.00 C ATOM 0 H VAL A 65 2.514 -3.214 7.515 1.00 0.00 H new ATOM 0 HA VAL A 65 2.958 -0.618 8.815 1.00 0.00 H new ATOM 0 HB VAL A 65 5.201 -2.702 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.701 -0.939 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.923 -0.402 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.330 0.194 9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.498 -2.483 10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.129 -1.347 10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.857 -3.044 10.497 1.00 0.00 H new ATOM 1009 N ARG A 66 4.896 -1.172 6.379 1.00 0.00 N ATOM 1010 CA ARG A 66 5.244 -0.728 4.997 1.00 0.00 C ATOM 1011 C ARG A 66 6.556 -1.388 4.558 1.00 0.00 C ATOM 1012 O ARG A 66 7.283 -1.932 5.364 1.00 0.00 O ATOM 1013 CB ARG A 66 5.429 0.789 5.131 1.00 0.00 C ATOM 1014 CG ARG A 66 5.361 1.460 3.755 1.00 0.00 C ATOM 1015 CD ARG A 66 4.609 2.799 3.864 1.00 0.00 C ATOM 1016 NE ARG A 66 4.518 3.085 5.327 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.521 3.778 5.797 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.464 5.062 5.587 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.578 3.184 6.477 1.00 0.00 N ATOM 0 H ARG A 66 5.662 -1.614 6.888 1.00 0.00 H new ATOM 0 HA ARG A 66 4.488 -0.993 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.657 1.200 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.389 1.004 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.368 1.628 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.855 0.805 3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.142 3.593 3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.618 2.731 3.415 1.00 0.00 H new ATOM 0 HE ARG A 66 5.239 2.737 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.200 5.525 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.683 5.605 5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.623 2.178 6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.796 3.726 6.846 1.00 0.00 H new ATOM 1033 N PHE A 67 6.850 -1.385 3.282 1.00 0.00 N ATOM 1034 CA PHE A 67 8.101 -2.056 2.808 1.00 0.00 C ATOM 1035 C PHE A 67 8.728 -1.301 1.632 1.00 0.00 C ATOM 1036 O PHE A 67 8.196 -0.323 1.152 1.00 0.00 O ATOM 1037 CB PHE A 67 7.655 -3.444 2.361 1.00 0.00 C ATOM 1038 CG PHE A 67 7.457 -3.460 0.862 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.927 -2.339 0.203 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.798 -4.601 0.130 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.740 -2.362 -1.181 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.610 -4.623 -1.256 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.081 -3.505 -1.911 1.00 0.00 C ATOM 0 H PHE A 67 6.284 -0.951 2.553 1.00 0.00 H new ATOM 0 HA PHE A 67 8.858 -2.089 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.401 -4.185 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.727 -3.717 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.663 -1.457 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.206 -5.465 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.333 -1.499 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.874 -5.504 -1.822 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.936 -3.525 -2.981 1.00 0.00 H new ATOM 1053 N VAL A 68 9.864 -1.753 1.166 1.00 0.00 N ATOM 1054 CA VAL A 68 10.521 -1.090 0.006 1.00 0.00 C ATOM 1055 C VAL A 68 10.018 -1.713 -1.294 1.00 0.00 C ATOM 1056 O VAL A 68 10.251 -2.882 -1.550 1.00 0.00 O ATOM 1057 CB VAL A 68 12.012 -1.312 0.184 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.744 -0.776 -1.044 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.495 -0.570 1.433 1.00 0.00 C ATOM 0 H VAL A 68 10.365 -2.557 1.543 1.00 0.00 H new ATOM 0 HA VAL A 68 10.296 -0.025 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 68 12.215 -2.377 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.816 -0.931 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.398 -1.303 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.541 0.290 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.566 -0.730 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.298 0.496 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.966 -0.947 2.308 1.00 0.00 H new ATOM 1069 N GLY A 69 9.348 -0.965 -2.110 1.00 0.00 N ATOM 1070 CA GLY A 69 8.844 -1.538 -3.389 1.00 0.00 C ATOM 1071 C GLY A 69 8.453 -0.424 -4.359 1.00 0.00 C ATOM 1072 O GLY A 69 7.636 0.417 -4.051 1.00 0.00 O ATOM 0 H GLY A 69 9.124 0.018 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.612 -2.167 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.983 -2.177 -3.193 1.00 0.00 H new ATOM 1076 N ALA A 70 9.001 -0.423 -5.542 1.00 0.00 N ATOM 1077 CA ALA A 70 8.617 0.626 -6.523 1.00 0.00 C ATOM 1078 C ALA A 70 7.474 0.087 -7.383 1.00 0.00 C ATOM 1079 O ALA A 70 6.323 0.373 -7.118 1.00 0.00 O ATOM 1080 CB ALA A 70 9.875 0.894 -7.349 1.00 0.00 C ATOM 0 H ALA A 70 9.692 -1.098 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 70 8.268 1.549 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.664 1.660 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.675 1.237 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.184 -0.024 -7.849 1.00 0.00 H new ATOM 1086 N PRO A 71 7.815 -0.724 -8.357 1.00 0.00 N ATOM 1087 CA PRO A 71 6.774 -1.323 -9.211 1.00 0.00 C ATOM 1088 C PRO A 71 6.166 -2.530 -8.493 1.00 0.00 C ATOM 1089 O PRO A 71 5.624 -3.429 -9.118 1.00 0.00 O ATOM 1090 CB PRO A 71 7.544 -1.790 -10.442 1.00 0.00 C ATOM 1091 CG PRO A 71 8.946 -2.013 -9.963 1.00 0.00 C ATOM 1092 CD PRO A 71 9.164 -1.126 -8.767 1.00 0.00 C ATOM 0 HA PRO A 71 5.962 -0.637 -9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.117 -2.706 -10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.512 -1.042 -11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.098 -3.059 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.662 -1.777 -10.750 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.680 -1.658 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.776 -0.261 -9.021 1.00 0.00 H new ATOM 1100 N SER A 72 6.222 -2.556 -7.178 1.00 0.00 N ATOM 1101 CA SER A 72 5.644 -3.740 -6.476 1.00 0.00 C ATOM 1102 C SER A 72 4.280 -3.384 -5.887 1.00 0.00 C ATOM 1103 O SER A 72 4.107 -3.138 -4.716 1.00 0.00 O ATOM 1104 CB SER A 72 6.636 -3.976 -5.306 1.00 0.00 C ATOM 1105 OG SER A 72 7.838 -4.539 -5.809 1.00 0.00 O ATOM 0 H SER A 72 6.628 -1.834 -6.583 1.00 0.00 H new ATOM 0 HA SER A 72 5.513 -4.599 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.847 -3.034 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.191 -4.643 -4.567 1.00 0.00 H new ATOM 0 HG SER A 72 8.465 -4.686 -5.070 1.00 0.00 H new ATOM 1111 N ARG A 73 3.266 -3.453 -6.720 1.00 0.00 N ATOM 1112 CA ARG A 73 1.881 -3.176 -6.254 1.00 0.00 C ATOM 1113 C ARG A 73 1.333 -4.384 -5.500 1.00 0.00 C ATOM 1114 O ARG A 73 0.593 -4.251 -4.547 1.00 0.00 O ATOM 1115 CB ARG A 73 1.073 -2.912 -7.521 1.00 0.00 C ATOM 1116 CG ARG A 73 1.019 -1.412 -7.797 1.00 0.00 C ATOM 1117 CD ARG A 73 2.392 -0.927 -8.267 1.00 0.00 C ATOM 1118 NE ARG A 73 2.582 -1.546 -9.604 1.00 0.00 N ATOM 1119 CZ ARG A 73 3.518 -1.107 -10.401 1.00 0.00 C ATOM 1120 NH1 ARG A 73 4.115 0.027 -10.145 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.858 -1.800 -11.452 1.00 0.00 N ATOM 0 H ARG A 73 3.346 -3.692 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 73 1.836 -2.328 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.525 -3.430 -8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.063 -3.307 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.267 -1.199 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.722 -0.877 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.427 0.161 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.177 -1.233 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 73 1.980 -2.315 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.850 0.569 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.846 0.370 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.393 -2.685 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.589 -1.457 -12.075 1.00 0.00 H new ATOM 1135 N GLU A 74 1.683 -5.567 -5.929 1.00 0.00 N ATOM 1136 CA GLU A 74 1.181 -6.792 -5.246 1.00 0.00 C ATOM 1137 C GLU A 74 1.321 -6.641 -3.736 1.00 0.00 C ATOM 1138 O GLU A 74 0.553 -7.189 -2.972 1.00 0.00 O ATOM 1139 CB GLU A 74 2.050 -7.933 -5.767 1.00 0.00 C ATOM 1140 CG GLU A 74 1.177 -9.163 -6.030 1.00 0.00 C ATOM 1141 CD GLU A 74 1.880 -10.412 -5.496 1.00 0.00 C ATOM 1142 OE1 GLU A 74 2.776 -10.262 -4.682 1.00 0.00 O ATOM 1143 OE2 GLU A 74 1.508 -11.499 -5.907 1.00 0.00 O ATOM 0 H GLU A 74 2.297 -5.737 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 74 0.126 -6.976 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.555 -7.630 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.826 -8.174 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.207 -9.044 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.990 -9.267 -7.099 1.00 0.00 H new ATOM 1150 N GLU A 75 2.299 -5.903 -3.297 1.00 0.00 N ATOM 1151 CA GLU A 75 2.477 -5.718 -1.835 1.00 0.00 C ATOM 1152 C GLU A 75 1.150 -5.284 -1.219 1.00 0.00 C ATOM 1153 O GLU A 75 0.745 -5.772 -0.184 1.00 0.00 O ATOM 1154 CB GLU A 75 3.517 -4.611 -1.705 1.00 0.00 C ATOM 1155 CG GLU A 75 4.807 -5.202 -1.144 1.00 0.00 C ATOM 1156 CD GLU A 75 5.126 -4.543 0.198 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.805 -3.376 0.355 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.697 -5.212 1.044 1.00 0.00 O ATOM 0 H GLU A 75 2.980 -5.422 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 75 2.793 -6.628 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.704 -4.155 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.148 -3.823 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.701 -6.279 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.627 -5.043 -1.844 1.00 0.00 H new ATOM 1165 N LEU A 76 0.460 -4.390 -1.868 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.859 -3.940 -1.343 1.00 0.00 C ATOM 1167 C LEU A 76 -1.829 -5.116 -1.329 1.00 0.00 C ATOM 1168 O LEU A 76 -2.530 -5.348 -0.365 1.00 0.00 O ATOM 1169 CB LEU A 76 -1.334 -2.877 -2.328 1.00 0.00 C ATOM 1170 CG LEU A 76 -0.632 -1.547 -2.043 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.219 -1.485 -0.572 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.603 -1.430 -2.931 1.00 0.00 C ATOM 0 H LEU A 76 0.752 -3.950 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.795 -3.553 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.125 -3.196 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.414 -2.752 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.313 -0.723 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.280 -0.537 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.104 -1.568 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.462 -2.307 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.106 -0.484 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.283 -2.255 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.303 -1.467 -3.978 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.866 -5.865 -2.396 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.786 -7.031 -2.451 1.00 0.00 C ATOM 1186 C PHE A 77 -2.440 -8.033 -1.342 1.00 0.00 C ATOM 1187 O PHE A 77 -3.300 -8.636 -0.740 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.567 -7.650 -3.836 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.234 -9.116 -3.690 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.261 -10.054 -3.526 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -0.899 -9.536 -3.714 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -2.951 -11.413 -3.386 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -0.589 -10.894 -3.576 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.615 -11.833 -3.412 1.00 0.00 C ATOM 0 H PHE A 77 -1.299 -5.719 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.827 -6.744 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.463 -7.529 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.758 -7.133 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.291 -9.730 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.108 -8.812 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.742 -12.137 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.441 -11.218 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.376 -12.881 -3.306 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.184 -8.218 -1.085 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.740 -9.148 -0.014 1.00 0.00 C ATOM 1206 C GLU A 78 -0.850 -8.471 1.352 1.00 0.00 C ATOM 1207 O GLU A 78 -0.847 -9.115 2.381 1.00 0.00 O ATOM 1208 CB GLU A 78 0.678 -9.552 -0.359 1.00 0.00 C ATOM 1209 CG GLU A 78 1.105 -10.725 0.525 1.00 0.00 C ATOM 1210 CD GLU A 78 2.619 -10.910 0.419 1.00 0.00 C ATOM 1211 OE1 GLU A 78 3.336 -10.047 0.899 1.00 0.00 O ATOM 1212 OE2 GLU A 78 3.037 -11.911 -0.140 1.00 0.00 O ATOM 0 H GLU A 78 -0.425 -7.753 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.367 -10.037 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.742 -9.833 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.353 -8.709 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.821 -10.537 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.593 -11.635 0.214 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.859 -7.165 1.371 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.914 -6.440 2.670 1.00 0.00 C ATOM 1221 C ALA A 79 -2.341 -6.461 3.209 1.00 0.00 C ATOM 1222 O ALA A 79 -2.564 -6.638 4.388 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.477 -5.011 2.352 1.00 0.00 C ATOM 0 H ALA A 79 -0.831 -6.570 0.543 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.276 -6.893 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.493 -4.414 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.533 -5.022 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.159 -4.576 1.622 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.315 -6.303 2.357 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.724 -6.337 2.834 1.00 0.00 C ATOM 1231 C ILE A 80 -5.045 -7.739 3.350 1.00 0.00 C ATOM 1232 O ILE A 80 -5.713 -7.907 4.347 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.578 -5.981 1.623 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.762 -4.461 1.561 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.943 -6.653 1.743 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -4.449 -3.807 1.130 1.00 0.00 C ATOM 0 H ILE A 80 -3.197 -6.152 1.355 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.910 -5.641 3.652 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.083 -6.327 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.555 -4.208 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.068 -4.081 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.552 -6.397 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.813 -7.734 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.440 -6.308 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.579 -2.726 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.668 -4.050 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.163 -4.179 0.146 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.565 -8.749 2.675 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.818 -10.147 3.126 1.00 0.00 C ATOM 1250 C ASN A 81 -3.922 -10.422 4.319 1.00 0.00 C ATOM 1251 O ASN A 81 -4.301 -11.146 5.243 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.476 -11.039 1.951 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.760 -12.292 2.460 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.768 -12.200 3.158 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -4.220 -13.467 2.137 1.00 0.00 N ATOM 0 H ASN A 81 -4.006 -8.665 1.826 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.850 -10.322 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.383 -11.317 1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.840 -10.504 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.749 -14.308 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.052 -13.546 1.552 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.745 -9.816 4.358 1.00 0.00 N ATOM 1263 CA ASP A 82 -1.913 -10.142 5.537 1.00 0.00 C ATOM 1264 C ASP A 82 -2.254 -9.165 6.637 1.00 0.00 C ATOM 1265 O ASP A 82 -2.084 -9.452 7.815 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.481 -9.662 5.042 1.00 0.00 C ATOM 1267 CG ASP A 82 0.355 -9.157 6.237 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.335 -9.825 7.254 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.989 -8.118 6.113 1.00 0.00 O ATOM 0 H ASP A 82 -2.361 -9.163 3.675 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.013 -11.174 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.036 -10.485 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.591 -8.867 4.304 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.037 -8.164 6.313 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.614 -7.275 7.346 1.00 0.00 C ATOM 1276 C GLU A 83 -4.809 -7.946 8.009 1.00 0.00 C ATOM 1277 O GLU A 83 -4.826 -8.172 9.202 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.063 -6.036 6.559 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.854 -5.082 7.470 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.802 -5.572 8.923 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.716 -5.892 9.385 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.846 -5.633 9.543 1.00 0.00 O ATOM 0 H GLU A 83 -3.300 -7.929 5.356 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.909 -7.035 8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.193 -5.522 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.681 -6.338 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.440 -4.076 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.890 -5.023 7.135 1.00 0.00 H new ATOM 1289 N MET A 84 -5.807 -8.251 7.243 1.00 0.00 N ATOM 1290 CA MET A 84 -7.014 -8.940 7.779 1.00 0.00 C ATOM 1291 C MET A 84 -6.702 -10.400 8.117 1.00 0.00 C ATOM 1292 O MET A 84 -7.533 -11.116 8.643 1.00 0.00 O ATOM 1293 CB MET A 84 -8.080 -8.808 6.707 1.00 0.00 C ATOM 1294 CG MET A 84 -7.971 -9.984 5.740 1.00 0.00 C ATOM 1295 SD MET A 84 -9.481 -10.096 4.755 1.00 0.00 S ATOM 1296 CE MET A 84 -8.828 -11.178 3.461 1.00 0.00 C ATOM 0 H MET A 84 -5.843 -8.049 6.244 1.00 0.00 H new ATOM 0 HA MET A 84 -7.358 -8.494 8.712 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.070 -8.788 7.163 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.957 -7.868 6.170 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.108 -9.853 5.088 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.815 -10.910 6.293 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.627 -11.440 2.768 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.034 -10.662 2.921 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.428 -12.086 3.913 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.546 -10.872 7.734 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.202 -12.299 7.986 1.00 0.00 C ATOM 1308 C GLU A 85 -5.557 -12.676 9.427 1.00 0.00 C ATOM 1309 O GLU A 85 -4.962 -12.107 10.330 1.00 0.00 O ATOM 1310 CB GLU A 85 -3.692 -12.388 7.760 1.00 0.00 C ATOM 1311 CG GLU A 85 -3.170 -13.719 8.306 1.00 0.00 C ATOM 1312 CD GLU A 85 -3.152 -13.677 9.835 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -2.264 -13.046 10.381 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -4.037 -14.269 10.435 1.00 0.00 O ATOM 1315 OXT GLU A 85 -6.410 -13.528 9.604 1.00 0.00 O ATOM 0 H GLU A 85 -4.825 -10.330 7.257 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.749 -12.981 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.468 -12.306 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.190 -11.558 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.803 -14.537 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.167 -13.911 7.926 1.00 0.00 H new TER 1322 GLU A 85