USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 602 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 18 ASN : amide:sc= -0.801 K(o=-0.8,f=-5.6!) USER MOD Set 1.2: A 39 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 CYS SG : rot -74:sc= -2.41! USER MOD Set 2.2: A 9 ASN : amide:sc= -2.17! C(o=-4.6!,f=-4.4!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0737 (180deg=-0.522) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -120:sc= -1.25 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.565 (180deg=-1.9) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.18) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 41:sc= 0.257 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.099 (180deg=-1.19!) USER MOD Single : A 38 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot -71:sc= 0.572 USER MOD Single : A 48 SER OG : rot -148:sc= 1.22 USER MOD Single : A 56 THR OG1 : rot 79:sc= 0.133 USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 1.2 (180deg=0.873) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc=-0.00854 (180deg=-0.181) USER MOD Single : A 66 THR OG1 : rot -23:sc= -0.119 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.13) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= -0.107 (180deg=-0.123) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.780 -21.063 -3.638 1.00 0.00 N ATOM 2 CA MET A 1 -10.439 -20.801 -4.212 1.00 0.00 C ATOM 3 C MET A 1 -10.334 -19.357 -4.671 1.00 0.00 C ATOM 4 O MET A 1 -10.894 -18.982 -5.700 1.00 0.00 O ATOM 5 CB MET A 1 -10.162 -21.742 -5.391 1.00 0.00 C ATOM 6 CG MET A 1 -10.100 -23.207 -5.000 1.00 0.00 C ATOM 7 SD MET A 1 -8.772 -23.564 -3.835 1.00 0.00 S ATOM 8 CE MET A 1 -7.331 -23.177 -4.829 1.00 0.00 C ATOM 0 H1 MET A 1 -11.789 -22.002 -3.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.000 -20.339 -2.925 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.493 -21.032 -4.394 1.00 0.00 H new ATOM 0 HA MET A 1 -9.695 -20.983 -3.436 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.940 -21.608 -6.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.218 -21.459 -5.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.053 -23.501 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.963 -23.812 -5.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.448 -23.637 -4.385 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.472 -23.562 -5.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.196 -22.096 -4.868 1.00 0.00 H new ATOM 20 N SER A 2 -9.631 -18.544 -3.900 1.00 0.00 N ATOM 21 CA SER A 2 -9.467 -17.138 -4.227 1.00 0.00 C ATOM 22 C SER A 2 -8.015 -16.711 -4.043 1.00 0.00 C ATOM 23 O SER A 2 -7.153 -17.537 -3.743 1.00 0.00 O ATOM 24 CB SER A 2 -10.381 -16.291 -3.342 1.00 0.00 C ATOM 25 OG SER A 2 -11.729 -16.718 -3.442 1.00 0.00 O ATOM 0 H SER A 2 -9.164 -18.835 -3.041 1.00 0.00 H new ATOM 0 HA SER A 2 -9.740 -16.987 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.051 -16.357 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.306 -15.243 -3.634 1.00 0.00 H new ATOM 0 HG SER A 2 -12.292 -16.161 -2.865 1.00 0.00 H new ATOM 31 N ILE A 3 -7.750 -15.427 -4.238 1.00 0.00 N ATOM 32 CA ILE A 3 -6.420 -14.871 -4.027 1.00 0.00 C ATOM 33 C ILE A 3 -6.511 -13.653 -3.114 1.00 0.00 C ATOM 34 O ILE A 3 -5.886 -12.625 -3.362 1.00 0.00 O ATOM 35 CB ILE A 3 -5.748 -14.471 -5.362 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.639 -13.500 -6.148 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.427 -15.710 -6.189 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.054 -13.070 -7.478 1.00 0.00 C ATOM 0 H ILE A 3 -8.444 -14.746 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.806 -15.642 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.811 -13.960 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.607 -13.971 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.821 -12.615 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.955 -15.411 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.749 -16.355 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.348 -16.252 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.742 -12.385 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.100 -12.569 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.899 -13.946 -8.107 1.00 0.00 H new ATOM 50 N GLU A 4 -7.292 -13.789 -2.047 1.00 0.00 N ATOM 51 CA GLU A 4 -7.577 -12.675 -1.150 1.00 0.00 C ATOM 52 C GLU A 4 -6.313 -12.107 -0.535 1.00 0.00 C ATOM 53 O GLU A 4 -5.605 -12.777 0.219 1.00 0.00 O ATOM 54 CB GLU A 4 -8.541 -13.106 -0.055 1.00 0.00 C ATOM 55 CG GLU A 4 -9.915 -13.443 -0.588 1.00 0.00 C ATOM 56 CD GLU A 4 -10.785 -14.124 0.440 1.00 0.00 C ATOM 57 OE1 GLU A 4 -11.329 -13.426 1.319 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.932 -15.363 0.369 1.00 0.00 O ATOM 0 H GLU A 4 -7.741 -14.665 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.039 -11.889 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.133 -13.975 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.627 -12.308 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.404 -12.529 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.814 -14.090 -1.459 1.00 0.00 H new ATOM 65 N VAL A 5 -6.047 -10.861 -0.870 1.00 0.00 N ATOM 66 CA VAL A 5 -4.879 -10.163 -0.373 1.00 0.00 C ATOM 67 C VAL A 5 -5.253 -9.310 0.831 1.00 0.00 C ATOM 68 O VAL A 5 -6.205 -8.528 0.776 1.00 0.00 O ATOM 69 CB VAL A 5 -4.263 -9.252 -1.452 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.861 -8.825 -1.052 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.260 -9.935 -2.813 1.00 0.00 C ATOM 0 H VAL A 5 -6.633 -10.305 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.145 -10.917 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.881 -8.358 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.442 -8.182 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.902 -8.279 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.232 -9.707 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.819 -9.268 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.675 -10.853 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.283 -10.174 -3.103 1.00 0.00 H new ATOM 81 N ARG A 6 -4.524 -9.478 1.922 1.00 0.00 N ATOM 82 CA ARG A 6 -4.754 -8.681 3.118 1.00 0.00 C ATOM 83 C ARG A 6 -3.444 -8.054 3.579 1.00 0.00 C ATOM 84 O ARG A 6 -2.373 -8.636 3.393 1.00 0.00 O ATOM 85 CB ARG A 6 -5.357 -9.520 4.255 1.00 0.00 C ATOM 86 CG ARG A 6 -6.533 -10.395 3.844 1.00 0.00 C ATOM 87 CD ARG A 6 -6.081 -11.804 3.510 1.00 0.00 C ATOM 88 NE ARG A 6 -7.205 -12.728 3.372 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.068 -14.040 3.199 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.858 -14.580 3.121 1.00 0.00 N ATOM 91 NH2 ARG A 6 -8.143 -14.812 3.115 1.00 0.00 N ATOM 0 H ARG A 6 -3.768 -10.158 2.005 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.470 -7.899 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.576 -10.156 4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.681 -8.849 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.265 -10.427 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.031 -9.956 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.509 -11.790 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.412 -12.164 4.291 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.149 -12.345 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.030 -13.989 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.756 -15.586 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.074 -14.400 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.039 -15.818 2.982 1.00 0.00 H new ATOM 105 N ASP A 7 -3.539 -6.876 4.181 1.00 0.00 N ATOM 106 CA ASP A 7 -2.364 -6.145 4.659 1.00 0.00 C ATOM 107 C ASP A 7 -1.802 -6.796 5.920 1.00 0.00 C ATOM 108 O ASP A 7 -2.233 -7.884 6.316 1.00 0.00 O ATOM 109 CB ASP A 7 -2.736 -4.684 4.949 1.00 0.00 C ATOM 110 CG ASP A 7 -3.428 -4.502 6.286 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.359 -5.275 6.594 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.030 -3.591 7.040 1.00 0.00 O ATOM 0 H ASP A 7 -4.424 -6.399 4.353 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.600 -6.174 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.833 -4.074 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.388 -4.317 4.156 1.00 0.00 H new ATOM 117 N CYS A 8 -0.849 -6.127 6.555 1.00 0.00 N ATOM 118 CA CYS A 8 -0.227 -6.643 7.766 1.00 0.00 C ATOM 119 C CYS A 8 -1.245 -6.758 8.903 1.00 0.00 C ATOM 120 O CYS A 8 -1.114 -7.622 9.774 1.00 0.00 O ATOM 121 CB CYS A 8 0.936 -5.744 8.188 1.00 0.00 C ATOM 122 SG CYS A 8 0.459 -4.031 8.510 1.00 0.00 S ATOM 0 H CYS A 8 -0.489 -5.223 6.250 1.00 0.00 H new ATOM 0 HA CYS A 8 0.155 -7.641 7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.395 -6.158 9.086 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.696 -5.758 7.406 1.00 0.00 H new ATOM 0 HG CYS A 8 0.232 -3.425 7.383 1.00 0.00 H new ATOM 128 N ASN A 9 -2.264 -5.898 8.888 1.00 0.00 N ATOM 129 CA ASN A 9 -3.296 -5.917 9.913 1.00 0.00 C ATOM 130 C ASN A 9 -4.259 -7.075 9.691 1.00 0.00 C ATOM 131 O ASN A 9 -4.892 -7.561 10.630 1.00 0.00 O ATOM 132 CB ASN A 9 -4.074 -4.599 9.924 1.00 0.00 C ATOM 133 CG ASN A 9 -3.450 -3.534 10.812 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.159 -2.758 11.452 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.129 -3.458 10.830 1.00 0.00 N ATOM 0 H ASN A 9 -2.393 -5.181 8.174 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.803 -6.047 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.141 -4.218 8.905 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.093 -4.790 10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.667 -2.739 11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.573 -4.118 10.287 1.00 0.00 H new ATOM 142 N GLY A 10 -4.372 -7.508 8.445 1.00 0.00 N ATOM 143 CA GLY A 10 -5.248 -8.610 8.115 1.00 0.00 C ATOM 144 C GLY A 10 -6.528 -8.139 7.462 1.00 0.00 C ATOM 145 O GLY A 10 -7.523 -8.868 7.423 1.00 0.00 O ATOM 0 H GLY A 10 -3.868 -7.112 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.730 -9.297 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.487 -9.167 9.021 1.00 0.00 H new ATOM 149 N ALA A 11 -6.502 -6.920 6.945 1.00 0.00 N ATOM 150 CA ALA A 11 -7.658 -6.348 6.281 1.00 0.00 C ATOM 151 C ALA A 11 -7.549 -6.546 4.776 1.00 0.00 C ATOM 152 O ALA A 11 -6.482 -6.360 4.192 1.00 0.00 O ATOM 153 CB ALA A 11 -7.790 -4.872 6.621 1.00 0.00 C ATOM 0 H ALA A 11 -5.687 -6.307 6.974 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.554 -6.860 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.662 -4.459 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.907 -4.756 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.895 -4.342 6.294 1.00 0.00 H new ATOM 159 N LEU A 12 -8.654 -6.939 4.161 1.00 0.00 N ATOM 160 CA LEU A 12 -8.683 -7.228 2.732 1.00 0.00 C ATOM 161 C LEU A 12 -8.485 -5.969 1.897 1.00 0.00 C ATOM 162 O LEU A 12 -9.032 -4.908 2.208 1.00 0.00 O ATOM 163 CB LEU A 12 -10.003 -7.908 2.367 1.00 0.00 C ATOM 164 CG LEU A 12 -10.109 -9.374 2.790 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.568 -9.798 2.871 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.364 -10.256 1.802 1.00 0.00 C ATOM 0 H LEU A 12 -9.550 -7.066 4.632 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.855 -7.901 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.821 -7.352 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.141 -7.845 1.288 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.658 -9.486 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.627 -10.844 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.087 -9.179 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.037 -9.676 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.445 -11.298 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.798 -10.137 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.314 -9.966 1.776 1.00 0.00 H new ATOM 178 N LEU A 13 -7.691 -6.100 0.847 1.00 0.00 N ATOM 179 CA LEU A 13 -7.419 -4.997 -0.063 1.00 0.00 C ATOM 180 C LEU A 13 -8.122 -5.228 -1.391 1.00 0.00 C ATOM 181 O LEU A 13 -8.647 -6.314 -1.641 1.00 0.00 O ATOM 182 CB LEU A 13 -5.912 -4.859 -0.290 1.00 0.00 C ATOM 183 CG LEU A 13 -5.104 -4.449 0.941 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.615 -4.559 0.658 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.459 -3.030 1.356 1.00 0.00 C ATOM 0 H LEU A 13 -7.218 -6.970 0.601 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.796 -4.076 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.527 -5.810 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.745 -4.123 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.352 -5.124 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.053 -4.264 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.369 -5.589 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.353 -3.904 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.876 -2.751 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.234 -2.345 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.521 -2.975 1.593 1.00 0.00 H new ATOM 197 N ALA A 14 -8.123 -4.209 -2.240 1.00 0.00 N ATOM 198 CA ALA A 14 -8.732 -4.308 -3.558 1.00 0.00 C ATOM 199 C ALA A 14 -8.154 -3.253 -4.492 1.00 0.00 C ATOM 200 O ALA A 14 -7.362 -2.411 -4.069 1.00 0.00 O ATOM 201 CB ALA A 14 -10.243 -4.155 -3.454 1.00 0.00 C ATOM 0 H ALA A 14 -7.706 -3.300 -2.037 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.510 -5.292 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.686 -4.231 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.645 -4.942 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.481 -3.182 -3.024 1.00 0.00 H new ATOM 207 N ASP A 15 -8.537 -3.310 -5.761 1.00 0.00 N ATOM 208 CA ASP A 15 -8.118 -2.298 -6.729 1.00 0.00 C ATOM 209 C ASP A 15 -8.757 -0.954 -6.401 1.00 0.00 C ATOM 210 O ASP A 15 -9.977 -0.801 -6.471 1.00 0.00 O ATOM 211 CB ASP A 15 -8.486 -2.717 -8.155 1.00 0.00 C ATOM 212 CG ASP A 15 -8.160 -1.641 -9.177 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.018 -1.145 -9.181 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.049 -1.289 -9.980 1.00 0.00 O ATOM 0 H ASP A 15 -9.135 -4.042 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.034 -2.202 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.952 -3.632 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.551 -2.947 -8.200 1.00 0.00 H new ATOM 219 N GLY A 16 -7.928 0.009 -6.030 1.00 0.00 N ATOM 220 CA GLY A 16 -8.417 1.315 -5.642 1.00 0.00 C ATOM 221 C GLY A 16 -8.234 1.566 -4.160 1.00 0.00 C ATOM 222 O GLY A 16 -8.625 2.615 -3.645 1.00 0.00 O ATOM 0 H GLY A 16 -6.914 -0.093 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.891 2.083 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.473 1.398 -5.897 1.00 0.00 H new ATOM 226 N ASP A 17 -7.630 0.604 -3.473 1.00 0.00 N ATOM 227 CA ASP A 17 -7.419 0.701 -2.032 1.00 0.00 C ATOM 228 C ASP A 17 -6.160 1.503 -1.736 1.00 0.00 C ATOM 229 O ASP A 17 -5.414 1.859 -2.649 1.00 0.00 O ATOM 230 CB ASP A 17 -7.293 -0.693 -1.419 1.00 0.00 C ATOM 231 CG ASP A 17 -7.976 -0.804 -0.073 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.608 -0.058 0.860 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.887 -1.645 0.059 1.00 0.00 O ATOM 0 H ASP A 17 -7.276 -0.256 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.278 1.208 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.724 -1.426 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.238 -0.942 -1.308 1.00 0.00 H new ATOM 238 N ASN A 18 -5.920 1.793 -0.469 1.00 0.00 N ATOM 239 CA ASN A 18 -4.742 2.542 -0.073 1.00 0.00 C ATOM 240 C ASN A 18 -4.082 1.931 1.150 1.00 0.00 C ATOM 241 O ASN A 18 -4.749 1.455 2.064 1.00 0.00 O ATOM 242 CB ASN A 18 -5.090 4.008 0.196 1.00 0.00 C ATOM 243 CG ASN A 18 -6.237 4.210 1.170 1.00 0.00 C ATOM 244 OD1 ASN A 18 -7.113 3.364 1.332 1.00 0.00 O ATOM 245 ND2 ASN A 18 -6.252 5.367 1.797 1.00 0.00 N ATOM 0 H ASN A 18 -6.527 1.520 0.304 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.035 2.496 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.206 4.514 0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.343 4.489 -0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.009 5.587 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.506 6.044 1.636 1.00 0.00 H new ATOM 252 N VAL A 19 -2.757 1.943 1.150 1.00 0.00 N ATOM 253 CA VAL A 19 -1.981 1.414 2.261 1.00 0.00 C ATOM 254 C VAL A 19 -0.854 2.373 2.624 1.00 0.00 C ATOM 255 O VAL A 19 -0.679 3.410 1.986 1.00 0.00 O ATOM 256 CB VAL A 19 -1.383 0.024 1.942 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.483 -1.011 1.766 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.504 0.086 0.702 1.00 0.00 C ATOM 0 H VAL A 19 -2.194 2.317 0.386 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.664 1.306 3.104 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.763 -0.278 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.038 -1.981 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.066 -1.082 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.135 -0.713 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.094 -0.903 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.099 0.416 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.312 0.789 0.869 1.00 0.00 H new ATOM 268 N SER A 20 -0.105 2.040 3.663 1.00 0.00 N ATOM 269 CA SER A 20 1.035 2.842 4.072 1.00 0.00 C ATOM 270 C SER A 20 2.104 1.984 4.749 1.00 0.00 C ATOM 271 O SER A 20 1.806 0.927 5.304 1.00 0.00 O ATOM 272 CB SER A 20 0.578 3.978 4.991 1.00 0.00 C ATOM 273 OG SER A 20 -0.107 4.978 4.257 1.00 0.00 O ATOM 0 H SER A 20 -0.268 1.215 4.241 1.00 0.00 H new ATOM 0 HA SER A 20 1.485 3.277 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.074 3.582 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.442 4.416 5.491 1.00 0.00 H new ATOM 0 HG SER A 20 0.364 5.833 4.350 1.00 0.00 H new ATOM 279 N LEU A 21 3.348 2.443 4.663 1.00 0.00 N ATOM 280 CA LEU A 21 4.500 1.747 5.237 1.00 0.00 C ATOM 281 C LEU A 21 4.412 1.670 6.759 1.00 0.00 C ATOM 282 O LEU A 21 4.224 2.688 7.428 1.00 0.00 O ATOM 283 CB LEU A 21 5.791 2.477 4.841 1.00 0.00 C ATOM 284 CG LEU A 21 6.416 2.077 3.498 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.982 0.676 3.580 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.410 2.174 2.361 1.00 0.00 C ATOM 0 H LEU A 21 3.590 3.314 4.190 1.00 0.00 H new ATOM 0 HA LEU A 21 4.504 0.730 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.585 3.547 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.531 2.313 5.625 1.00 0.00 H new ATOM 0 HG LEU A 21 7.224 2.777 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.422 0.405 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.748 0.638 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.184 -0.025 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.889 1.883 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.570 1.509 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.050 3.200 2.281 1.00 0.00 H new ATOM 298 N ILE A 22 4.568 0.462 7.302 1.00 0.00 N ATOM 299 CA ILE A 22 4.540 0.268 8.753 1.00 0.00 C ATOM 300 C ILE A 22 5.941 0.390 9.342 1.00 0.00 C ATOM 301 O ILE A 22 6.115 0.464 10.558 1.00 0.00 O ATOM 302 CB ILE A 22 3.956 -1.106 9.144 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.833 -2.241 8.603 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.534 -1.233 8.628 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.387 -3.622 9.035 1.00 0.00 C ATOM 0 H ILE A 22 4.714 -0.392 6.764 1.00 0.00 H new ATOM 0 HA ILE A 22 3.896 1.048 9.158 1.00 0.00 H new ATOM 0 HB ILE A 22 3.940 -1.182 10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.837 -2.196 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.860 -2.082 8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.131 -2.206 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.918 -0.446 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.531 -1.139 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.058 -4.370 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.410 -3.688 10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.372 -3.804 8.682 1.00 0.00 H new ATOM 317 N LYS A 23 6.929 0.405 8.460 1.00 0.00 N ATOM 318 CA LYS A 23 8.329 0.520 8.844 1.00 0.00 C ATOM 319 C LYS A 23 9.125 1.069 7.671 1.00 0.00 C ATOM 320 O LYS A 23 8.553 1.370 6.623 1.00 0.00 O ATOM 321 CB LYS A 23 8.896 -0.839 9.281 1.00 0.00 C ATOM 322 CG LYS A 23 8.339 -2.022 8.499 1.00 0.00 C ATOM 323 CD LYS A 23 9.339 -3.168 8.358 1.00 0.00 C ATOM 324 CE LYS A 23 9.721 -3.805 9.689 1.00 0.00 C ATOM 325 NZ LYS A 23 10.684 -2.978 10.464 1.00 0.00 N ATOM 0 H LYS A 23 6.782 0.337 7.453 1.00 0.00 H new ATOM 0 HA LYS A 23 8.406 1.201 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.980 -0.821 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.686 -0.985 10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.442 -2.389 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.038 -1.685 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.915 -3.932 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.240 -2.796 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.821 -3.961 10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.157 -4.787 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.306 -3.599 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.258 -2.409 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.162 -2.347 11.105 1.00 0.00 H new ATOM 339 N ASP A 24 10.431 1.204 7.840 1.00 0.00 N ATOM 340 CA ASP A 24 11.280 1.700 6.766 1.00 0.00 C ATOM 341 C ASP A 24 11.726 0.537 5.892 1.00 0.00 C ATOM 342 O ASP A 24 12.413 -0.373 6.361 1.00 0.00 O ATOM 343 CB ASP A 24 12.513 2.433 7.310 1.00 0.00 C ATOM 344 CG ASP A 24 12.204 3.351 8.475 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.335 4.229 8.340 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.844 3.203 9.537 1.00 0.00 O ATOM 0 H ASP A 24 10.924 0.979 8.704 1.00 0.00 H new ATOM 0 HA ASP A 24 10.698 2.411 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.254 1.698 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.963 3.017 6.507 1.00 0.00 H new ATOM 351 N LEU A 25 11.329 0.560 4.630 1.00 0.00 N ATOM 352 CA LEU A 25 11.677 -0.507 3.703 1.00 0.00 C ATOM 353 C LEU A 25 12.507 0.032 2.556 1.00 0.00 C ATOM 354 O LEU A 25 12.048 0.861 1.773 1.00 0.00 O ATOM 355 CB LEU A 25 10.432 -1.207 3.141 1.00 0.00 C ATOM 356 CG LEU A 25 9.765 -2.244 4.055 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.761 -3.297 4.515 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.108 -1.584 5.248 1.00 0.00 C ATOM 0 H LEU A 25 10.765 1.306 4.223 1.00 0.00 H new ATOM 0 HA LEU A 25 12.258 -1.238 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.694 -0.445 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.708 -1.700 2.209 1.00 0.00 H new ATOM 0 HG LEU A 25 8.990 -2.740 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.258 -4.017 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.172 -3.813 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.569 -2.817 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.645 -2.345 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.859 -1.046 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.346 -0.885 4.903 1.00 0.00 H new ATOM 370 N LYS A 26 13.733 -0.436 2.465 1.00 0.00 N ATOM 371 CA LYS A 26 14.609 -0.059 1.374 1.00 0.00 C ATOM 372 C LYS A 26 14.311 -0.927 0.152 1.00 0.00 C ATOM 373 O LYS A 26 14.085 -2.133 0.269 1.00 0.00 O ATOM 374 CB LYS A 26 16.067 -0.185 1.824 1.00 0.00 C ATOM 375 CG LYS A 26 17.107 0.152 0.764 1.00 0.00 C ATOM 376 CD LYS A 26 17.642 -1.100 0.088 1.00 0.00 C ATOM 377 CE LYS A 26 18.334 -2.026 1.080 1.00 0.00 C ATOM 378 NZ LYS A 26 18.647 -3.349 0.479 1.00 0.00 N ATOM 0 H LYS A 26 14.148 -1.082 3.137 1.00 0.00 H new ATOM 0 HA LYS A 26 14.435 0.979 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.223 0.468 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.238 -1.206 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.665 0.810 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.931 0.699 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.822 -1.632 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.344 -0.818 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.255 -1.560 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.696 -2.166 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.249 -3.893 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.763 -3.870 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.148 -3.211 -0.422 1.00 0.00 H new ATOM 392 N LEU A 27 14.311 -0.291 -1.007 1.00 0.00 N ATOM 393 CA LEU A 27 13.925 -0.928 -2.261 1.00 0.00 C ATOM 394 C LEU A 27 14.888 -2.056 -2.615 1.00 0.00 C ATOM 395 O LEU A 27 16.084 -1.968 -2.337 1.00 0.00 O ATOM 396 CB LEU A 27 13.865 0.137 -3.373 1.00 0.00 C ATOM 397 CG LEU A 27 13.250 -0.294 -4.713 1.00 0.00 C ATOM 398 CD1 LEU A 27 12.705 0.918 -5.451 1.00 0.00 C ATOM 399 CD2 LEU A 27 14.275 -1.001 -5.585 1.00 0.00 C ATOM 0 H LEU A 27 14.580 0.688 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 27 12.937 -1.375 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.298 0.989 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.879 0.488 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 27 12.438 -0.989 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.271 0.602 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.938 1.399 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.514 1.623 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.811 -1.294 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.109 -0.328 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.641 -1.888 -5.069 1.00 0.00 H new ATOM 411 N LYS A 28 14.336 -3.105 -3.222 1.00 0.00 N ATOM 412 CA LYS A 28 15.080 -4.309 -3.602 1.00 0.00 C ATOM 413 C LYS A 28 16.444 -3.966 -4.199 1.00 0.00 C ATOM 414 O LYS A 28 16.539 -3.257 -5.203 1.00 0.00 O ATOM 415 CB LYS A 28 14.255 -5.113 -4.609 1.00 0.00 C ATOM 416 CG LYS A 28 14.820 -6.488 -4.925 1.00 0.00 C ATOM 417 CD LYS A 28 13.989 -7.186 -5.989 1.00 0.00 C ATOM 418 CE LYS A 28 14.453 -8.613 -6.226 1.00 0.00 C ATOM 419 NZ LYS A 28 13.691 -9.265 -7.325 1.00 0.00 N ATOM 0 H LYS A 28 13.347 -3.145 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 28 15.255 -4.901 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.243 -5.229 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.178 -4.543 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.850 -6.392 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.841 -7.094 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.942 -7.191 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.049 -6.625 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.515 -8.614 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.335 -9.191 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.036 -10.237 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.680 -9.286 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.824 -8.728 -8.206 1.00 0.00 H new ATOM 433 N GLY A 29 17.494 -4.478 -3.576 1.00 0.00 N ATOM 434 CA GLY A 29 18.839 -4.162 -3.999 1.00 0.00 C ATOM 435 C GLY A 29 19.379 -2.935 -3.296 1.00 0.00 C ATOM 436 O GLY A 29 19.478 -2.907 -2.070 1.00 0.00 O ATOM 0 H GLY A 29 17.436 -5.112 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.492 -5.012 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.851 -3.998 -5.076 1.00 0.00 H new ATOM 440 N SER A 30 19.721 -1.917 -4.067 1.00 0.00 N ATOM 441 CA SER A 30 20.229 -0.677 -3.505 1.00 0.00 C ATOM 442 C SER A 30 19.899 0.500 -4.414 1.00 0.00 C ATOM 443 O SER A 30 20.448 0.619 -5.513 1.00 0.00 O ATOM 444 CB SER A 30 21.741 -0.778 -3.283 1.00 0.00 C ATOM 445 OG SER A 30 22.405 -1.230 -4.455 1.00 0.00 O ATOM 0 H SER A 30 19.656 -1.925 -5.085 1.00 0.00 H new ATOM 0 HA SER A 30 19.746 -0.509 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 30 22.134 0.196 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.945 -1.463 -2.460 1.00 0.00 H new ATOM 0 HG SER A 30 22.013 -0.796 -5.241 1.00 0.00 H new ATOM 451 N SER A 31 18.988 1.354 -3.963 1.00 0.00 N ATOM 452 CA SER A 31 18.591 2.525 -4.726 1.00 0.00 C ATOM 453 C SER A 31 17.780 3.479 -3.847 1.00 0.00 C ATOM 454 O SER A 31 18.297 4.485 -3.359 1.00 0.00 O ATOM 455 CB SER A 31 17.778 2.102 -5.957 1.00 0.00 C ATOM 456 OG SER A 31 17.571 3.188 -6.842 1.00 0.00 O ATOM 0 H SER A 31 18.510 1.254 -3.068 1.00 0.00 H new ATOM 0 HA SER A 31 19.486 3.046 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.299 1.300 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.815 1.703 -5.638 1.00 0.00 H new ATOM 0 HG SER A 31 17.052 2.885 -7.616 1.00 0.00 H new ATOM 462 N THR A 32 16.517 3.140 -3.624 1.00 0.00 N ATOM 463 CA THR A 32 15.627 3.971 -2.827 1.00 0.00 C ATOM 464 C THR A 32 15.424 3.365 -1.440 1.00 0.00 C ATOM 465 O THR A 32 15.152 2.177 -1.316 1.00 0.00 O ATOM 466 CB THR A 32 14.255 4.105 -3.519 1.00 0.00 C ATOM 467 OG1 THR A 32 14.435 4.355 -4.920 1.00 0.00 O ATOM 468 CG2 THR A 32 13.438 5.230 -2.901 1.00 0.00 C ATOM 0 H THR A 32 16.085 2.290 -3.987 1.00 0.00 H new ATOM 0 HA THR A 32 16.086 4.955 -2.729 1.00 0.00 H new ATOM 0 HB THR A 32 13.714 3.169 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.560 4.437 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.476 5.302 -3.408 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.276 5.023 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.976 6.172 -3.008 1.00 0.00 H new ATOM 476 N VAL A 33 15.583 4.168 -0.400 1.00 0.00 N ATOM 477 CA VAL A 33 15.271 3.722 0.952 1.00 0.00 C ATOM 478 C VAL A 33 13.987 4.394 1.427 1.00 0.00 C ATOM 479 O VAL A 33 13.991 5.578 1.767 1.00 0.00 O ATOM 480 CB VAL A 33 16.405 4.043 1.950 1.00 0.00 C ATOM 481 CG1 VAL A 33 16.105 3.434 3.313 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.746 3.552 1.425 1.00 0.00 C ATOM 0 H VAL A 33 15.924 5.127 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 33 15.150 2.639 0.918 1.00 0.00 H new ATOM 0 HB VAL A 33 16.463 5.126 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.915 3.670 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.170 3.843 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.015 2.352 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.528 3.790 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.706 2.473 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.966 4.041 0.476 1.00 0.00 H new ATOM 492 N LEU A 34 12.889 3.652 1.426 1.00 0.00 N ATOM 493 CA LEU A 34 11.607 4.205 1.836 1.00 0.00 C ATOM 494 C LEU A 34 11.479 4.189 3.351 1.00 0.00 C ATOM 495 O LEU A 34 12.021 3.310 4.023 1.00 0.00 O ATOM 496 CB LEU A 34 10.437 3.449 1.206 1.00 0.00 C ATOM 497 CG LEU A 34 10.296 3.609 -0.309 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.170 2.608 -1.050 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.839 3.471 -0.714 1.00 0.00 C ATOM 0 H LEU A 34 12.860 2.671 1.148 1.00 0.00 H new ATOM 0 HA LEU A 34 11.570 5.236 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.546 2.389 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.513 3.784 1.678 1.00 0.00 H new ATOM 0 HG LEU A 34 10.638 4.606 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.049 2.745 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.214 2.766 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.874 1.595 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.749 3.586 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.472 2.487 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.249 4.240 -0.217 1.00 0.00 H new ATOM 511 N LYS A 35 10.751 5.156 3.877 1.00 0.00 N ATOM 512 CA LYS A 35 10.611 5.319 5.316 1.00 0.00 C ATOM 513 C LYS A 35 9.207 4.968 5.787 1.00 0.00 C ATOM 514 O LYS A 35 8.268 4.883 4.994 1.00 0.00 O ATOM 515 CB LYS A 35 10.945 6.759 5.715 1.00 0.00 C ATOM 516 CG LYS A 35 12.438 7.041 5.815 1.00 0.00 C ATOM 517 CD LYS A 35 13.036 6.447 7.080 1.00 0.00 C ATOM 518 CE LYS A 35 12.394 7.027 8.335 1.00 0.00 C ATOM 519 NZ LYS A 35 12.821 6.299 9.556 1.00 0.00 N ATOM 0 H LYS A 35 10.243 5.847 3.326 1.00 0.00 H new ATOM 0 HA LYS A 35 11.309 4.633 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.505 7.439 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.479 6.977 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.946 6.629 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.607 8.118 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.904 5.365 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.109 6.637 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.661 8.080 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.309 6.980 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.833 6.954 10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.155 5.524 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.774 5.909 9.412 1.00 0.00 H new ATOM 533 N ARG A 36 9.085 4.752 7.083 1.00 0.00 N ATOM 534 CA ARG A 36 7.803 4.503 7.717 1.00 0.00 C ATOM 535 C ARG A 36 6.884 5.700 7.528 1.00 0.00 C ATOM 536 O ARG A 36 7.314 6.847 7.652 1.00 0.00 O ATOM 537 CB ARG A 36 8.011 4.243 9.205 1.00 0.00 C ATOM 538 CG ARG A 36 6.768 3.759 9.926 1.00 0.00 C ATOM 539 CD ARG A 36 7.075 3.446 11.375 1.00 0.00 C ATOM 540 NE ARG A 36 5.912 2.930 12.094 1.00 0.00 N ATOM 541 CZ ARG A 36 5.305 3.578 13.088 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.682 4.809 13.413 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.315 2.994 13.745 1.00 0.00 N ATOM 0 H ARG A 36 9.875 4.744 7.729 1.00 0.00 H new ATOM 0 HA ARG A 36 7.342 3.629 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.801 3.502 9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.359 5.161 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.990 4.521 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.379 2.869 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.882 2.714 11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.434 4.348 11.870 1.00 0.00 H new ATOM 0 HE ARG A 36 5.543 2.020 11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.439 5.262 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.215 5.301 14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.020 2.052 13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.848 3.486 14.506 1.00 0.00 H new ATOM 557 N GLY A 37 5.625 5.437 7.227 1.00 0.00 N ATOM 558 CA GLY A 37 4.685 6.515 7.012 1.00 0.00 C ATOM 559 C GLY A 37 4.450 6.795 5.543 1.00 0.00 C ATOM 560 O GLY A 37 3.494 7.489 5.189 1.00 0.00 O ATOM 0 H GLY A 37 5.236 4.499 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.736 6.266 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.056 7.418 7.496 1.00 0.00 H new ATOM 564 N THR A 38 5.324 6.266 4.685 1.00 0.00 N ATOM 565 CA THR A 38 5.156 6.403 3.243 1.00 0.00 C ATOM 566 C THR A 38 3.801 5.852 2.821 1.00 0.00 C ATOM 567 O THR A 38 3.496 4.680 3.048 1.00 0.00 O ATOM 568 CB THR A 38 6.269 5.670 2.465 1.00 0.00 C ATOM 569 OG1 THR A 38 7.553 6.167 2.860 1.00 0.00 O ATOM 570 CG2 THR A 38 6.100 5.858 0.963 1.00 0.00 C ATOM 0 H THR A 38 6.152 5.741 4.966 1.00 0.00 H new ATOM 0 HA THR A 38 5.217 7.465 3.006 1.00 0.00 H new ATOM 0 HB THR A 38 6.197 4.607 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.970 5.537 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.897 5.331 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.135 5.457 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.147 6.920 0.722 1.00 0.00 H new ATOM 578 N MET A 39 2.983 6.703 2.235 1.00 0.00 N ATOM 579 CA MET A 39 1.641 6.317 1.868 1.00 0.00 C ATOM 580 C MET A 39 1.593 5.843 0.429 1.00 0.00 C ATOM 581 O MET A 39 1.984 6.558 -0.495 1.00 0.00 O ATOM 582 CB MET A 39 0.666 7.472 2.079 1.00 0.00 C ATOM 583 CG MET A 39 -0.785 7.051 1.939 1.00 0.00 C ATOM 584 SD MET A 39 -1.934 8.254 2.626 1.00 0.00 S ATOM 585 CE MET A 39 -3.321 7.184 2.994 1.00 0.00 C ATOM 0 H MET A 39 3.227 7.666 2.004 1.00 0.00 H new ATOM 0 HA MET A 39 1.341 5.492 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.822 7.896 3.071 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.882 8.260 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.014 6.899 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.929 6.093 2.438 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.227 7.782 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.445 6.460 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.136 6.658 3.930 1.00 0.00 H new ATOM 595 N ILE A 40 1.126 4.624 0.255 1.00 0.00 N ATOM 596 CA ILE A 40 0.919 4.069 -1.065 1.00 0.00 C ATOM 597 C ILE A 40 -0.576 3.934 -1.311 1.00 0.00 C ATOM 598 O ILE A 40 -1.197 2.932 -0.957 1.00 0.00 O ATOM 599 CB ILE A 40 1.620 2.702 -1.242 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.117 2.831 -0.943 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.408 2.174 -2.655 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.897 1.549 -1.152 1.00 0.00 C ATOM 0 H ILE A 40 0.881 3.994 1.019 1.00 0.00 H new ATOM 0 HA ILE A 40 1.363 4.745 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 40 1.182 1.994 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.539 3.609 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.245 3.158 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.908 1.211 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.341 2.052 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.823 2.881 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.948 1.721 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.503 0.772 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.802 1.230 -2.190 1.00 0.00 H new ATOM 614 N ARG A 41 -1.157 4.976 -1.870 1.00 0.00 N ATOM 615 CA ARG A 41 -2.593 5.024 -2.082 1.00 0.00 C ATOM 616 C ARG A 41 -2.920 4.794 -3.552 1.00 0.00 C ATOM 617 O ARG A 41 -2.236 5.309 -4.438 1.00 0.00 O ATOM 618 CB ARG A 41 -3.164 6.354 -1.555 1.00 0.00 C ATOM 619 CG ARG A 41 -2.376 7.593 -1.974 1.00 0.00 C ATOM 620 CD ARG A 41 -2.765 8.092 -3.356 1.00 0.00 C ATOM 621 NE ARG A 41 -4.063 8.763 -3.357 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.693 9.169 -4.459 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.171 8.932 -5.661 1.00 0.00 N ATOM 624 NH2 ARG A 41 -5.849 9.812 -4.358 1.00 0.00 N ATOM 0 H ARG A 41 -0.656 5.806 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.069 4.222 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.191 6.457 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.200 6.313 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.540 8.387 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.311 7.363 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.002 8.780 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.792 7.251 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.515 8.931 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.283 8.437 -5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.659 9.246 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.253 9.994 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.334 10.124 -5.199 1.00 0.00 H new ATOM 638 N GLY A 42 -3.946 3.998 -3.804 1.00 0.00 N ATOM 639 CA GLY A 42 -4.267 3.612 -5.161 1.00 0.00 C ATOM 640 C GLY A 42 -3.585 2.313 -5.542 1.00 0.00 C ATOM 641 O GLY A 42 -2.916 2.229 -6.576 1.00 0.00 O ATOM 0 H GLY A 42 -4.564 3.611 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.347 3.502 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.960 4.401 -5.848 1.00 0.00 H new ATOM 645 N ILE A 43 -3.739 1.306 -4.687 1.00 0.00 N ATOM 646 CA ILE A 43 -3.136 0.003 -4.915 1.00 0.00 C ATOM 647 C ILE A 43 -4.150 -0.943 -5.543 1.00 0.00 C ATOM 648 O ILE A 43 -5.348 -0.668 -5.542 1.00 0.00 O ATOM 649 CB ILE A 43 -2.581 -0.621 -3.600 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.702 -1.015 -2.621 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.626 0.345 -2.923 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.165 -2.453 -2.752 1.00 0.00 C ATOM 0 H ILE A 43 -4.281 1.372 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.297 0.148 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.050 -1.532 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.354 -0.849 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.555 -0.355 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.245 -0.103 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.794 0.563 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.152 1.269 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.955 -2.648 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.546 -2.622 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.327 -3.124 -2.564 1.00 0.00 H new ATOM 664 N ARG A 44 -3.665 -2.044 -6.080 1.00 0.00 N ATOM 665 CA ARG A 44 -4.521 -3.068 -6.649 1.00 0.00 C ATOM 666 C ARG A 44 -3.966 -4.449 -6.362 1.00 0.00 C ATOM 667 O ARG A 44 -2.774 -4.604 -6.095 1.00 0.00 O ATOM 668 CB ARG A 44 -4.682 -2.871 -8.150 1.00 0.00 C ATOM 669 CG ARG A 44 -3.399 -2.525 -8.875 1.00 0.00 C ATOM 670 CD ARG A 44 -3.653 -2.389 -10.360 1.00 0.00 C ATOM 671 NE ARG A 44 -4.856 -1.600 -10.625 1.00 0.00 N ATOM 672 CZ ARG A 44 -5.213 -1.147 -11.820 1.00 0.00 C ATOM 673 NH1 ARG A 44 -4.422 -1.322 -12.870 1.00 0.00 N ATOM 674 NH2 ARG A 44 -6.369 -0.510 -11.953 1.00 0.00 N ATOM 0 H ARG A 44 -2.669 -2.255 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.502 -2.980 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.095 -3.783 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.409 -2.078 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.992 -1.593 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.653 -3.299 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.794 -1.916 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.760 -3.378 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.464 -1.383 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.532 -1.808 -12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.704 -0.971 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.972 -0.373 -11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.655 -0.157 -12.866 1.00 0.00 H new ATOM 688 N LEU A 45 -4.837 -5.445 -6.410 1.00 0.00 N ATOM 689 CA LEU A 45 -4.436 -6.819 -6.169 1.00 0.00 C ATOM 690 C LEU A 45 -3.701 -7.358 -7.385 1.00 0.00 C ATOM 691 O LEU A 45 -3.896 -6.873 -8.501 1.00 0.00 O ATOM 692 CB LEU A 45 -5.657 -7.696 -5.873 1.00 0.00 C ATOM 693 CG LEU A 45 -6.594 -7.176 -4.781 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.680 -8.196 -4.477 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.820 -6.827 -3.522 1.00 0.00 C ATOM 0 H LEU A 45 -5.829 -5.325 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.775 -6.841 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.230 -7.813 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.309 -8.688 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.069 -6.266 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.336 -7.808 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.261 -8.388 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.222 -9.124 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.509 -6.460 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.309 -7.716 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.085 -6.055 -3.749 1.00 0.00 H new ATOM 707 N THR A 46 -2.857 -8.347 -7.174 1.00 0.00 N ATOM 708 CA THR A 46 -2.121 -8.954 -8.264 1.00 0.00 C ATOM 709 C THR A 46 -2.429 -10.441 -8.327 1.00 0.00 C ATOM 710 O THR A 46 -3.368 -10.909 -7.685 1.00 0.00 O ATOM 711 CB THR A 46 -0.598 -8.749 -8.109 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.139 -9.319 -6.875 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.238 -7.272 -8.155 1.00 0.00 C ATOM 0 H THR A 46 -2.663 -8.748 -6.256 1.00 0.00 H new ATOM 0 HA THR A 46 -2.435 -8.468 -9.188 1.00 0.00 H new ATOM 0 HB THR A 46 -0.108 -9.253 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.454 -8.772 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.840 -7.157 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.551 -6.851 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.745 -6.749 -7.344 1.00 0.00 H new ATOM 721 N ASP A 47 -1.648 -11.173 -9.107 1.00 0.00 N ATOM 722 CA ASP A 47 -1.758 -12.625 -9.144 1.00 0.00 C ATOM 723 C ASP A 47 -1.304 -13.204 -7.810 1.00 0.00 C ATOM 724 O ASP A 47 -1.629 -14.339 -7.462 1.00 0.00 O ATOM 725 CB ASP A 47 -0.904 -13.201 -10.275 1.00 0.00 C ATOM 726 CG ASP A 47 -1.274 -12.643 -11.633 1.00 0.00 C ATOM 727 OD1 ASP A 47 -0.888 -11.492 -11.932 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.931 -13.357 -12.418 1.00 0.00 O ATOM 0 H ASP A 47 -0.932 -10.787 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.799 -12.893 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.146 -12.990 -10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.014 -14.285 -10.291 1.00 0.00 H new ATOM 733 N SER A 48 -0.541 -12.407 -7.076 1.00 0.00 N ATOM 734 CA SER A 48 -0.047 -12.784 -5.772 1.00 0.00 C ATOM 735 C SER A 48 -1.070 -12.462 -4.687 1.00 0.00 C ATOM 736 O SER A 48 -1.816 -11.488 -4.787 1.00 0.00 O ATOM 737 CB SER A 48 1.253 -12.037 -5.493 1.00 0.00 C ATOM 738 OG SER A 48 2.297 -12.461 -6.355 1.00 0.00 O ATOM 0 H SER A 48 -0.249 -11.477 -7.376 1.00 0.00 H new ATOM 0 HA SER A 48 0.132 -13.859 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.091 -10.966 -5.617 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.549 -12.197 -4.456 1.00 0.00 H new ATOM 0 HG SER A 48 3.155 -12.397 -5.886 1.00 0.00 H new ATOM 744 N GLU A 49 -1.087 -13.280 -3.646 1.00 0.00 N ATOM 745 CA GLU A 49 -1.986 -13.077 -2.516 1.00 0.00 C ATOM 746 C GLU A 49 -1.253 -12.333 -1.411 1.00 0.00 C ATOM 747 O GLU A 49 -1.857 -11.835 -0.460 1.00 0.00 O ATOM 748 CB GLU A 49 -2.485 -14.420 -1.984 1.00 0.00 C ATOM 749 CG GLU A 49 -3.025 -15.335 -3.065 1.00 0.00 C ATOM 750 CD GLU A 49 -3.516 -16.662 -2.522 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.612 -16.704 -1.922 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.806 -17.676 -2.694 1.00 0.00 O ATOM 0 H GLU A 49 -0.484 -14.098 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.842 -12.491 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.668 -14.924 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.267 -14.242 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.843 -14.834 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.244 -15.517 -3.804 1.00 0.00 H new ATOM 759 N ASP A 50 0.061 -12.278 -1.549 1.00 0.00 N ATOM 760 CA ASP A 50 0.916 -11.625 -0.573 1.00 0.00 C ATOM 761 C ASP A 50 1.447 -10.302 -1.115 1.00 0.00 C ATOM 762 O ASP A 50 2.092 -9.537 -0.396 1.00 0.00 O ATOM 763 CB ASP A 50 2.086 -12.539 -0.208 1.00 0.00 C ATOM 764 CG ASP A 50 1.685 -13.698 0.679 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.555 -13.495 1.902 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.527 -14.827 0.164 1.00 0.00 O ATOM 0 H ASP A 50 0.564 -12.684 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 50 0.323 -11.422 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.533 -12.928 -1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.853 -11.952 0.297 1.00 0.00 H new ATOM 771 N GLU A 51 1.162 -10.027 -2.380 1.00 0.00 N ATOM 772 CA GLU A 51 1.680 -8.833 -3.033 1.00 0.00 C ATOM 773 C GLU A 51 0.566 -8.031 -3.691 1.00 0.00 C ATOM 774 O GLU A 51 -0.413 -8.586 -4.192 1.00 0.00 O ATOM 775 CB GLU A 51 2.733 -9.178 -4.091 1.00 0.00 C ATOM 776 CG GLU A 51 4.043 -9.711 -3.533 1.00 0.00 C ATOM 777 CD GLU A 51 4.142 -11.223 -3.584 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.326 -11.772 -4.695 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.057 -11.870 -2.523 1.00 0.00 O ATOM 0 H GLU A 51 0.576 -10.613 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 51 2.144 -8.232 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.315 -9.920 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.941 -8.286 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.872 -9.280 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.152 -9.381 -2.500 1.00 0.00 H new ATOM 786 N ILE A 52 0.740 -6.725 -3.687 1.00 0.00 N ATOM 787 CA ILE A 52 -0.164 -5.811 -4.366 1.00 0.00 C ATOM 788 C ILE A 52 0.644 -4.842 -5.213 1.00 0.00 C ATOM 789 O ILE A 52 1.854 -4.749 -5.063 1.00 0.00 O ATOM 790 CB ILE A 52 -1.051 -5.022 -3.369 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.210 -4.389 -2.253 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.127 -5.919 -2.785 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.336 -3.015 -2.593 1.00 0.00 C ATOM 0 H ILE A 52 1.515 -6.263 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.828 -6.402 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.534 -4.215 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.819 -4.314 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.623 -5.052 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.739 -5.347 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.756 -6.304 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.660 -6.752 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.919 -2.637 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.973 -3.085 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.491 -2.335 -2.796 1.00 0.00 H new ATOM 805 N GLU A 53 -0.013 -4.129 -6.095 1.00 0.00 N ATOM 806 CA GLU A 53 0.662 -3.148 -6.922 1.00 0.00 C ATOM 807 C GLU A 53 0.097 -1.768 -6.626 1.00 0.00 C ATOM 808 O GLU A 53 -1.109 -1.564 -6.709 1.00 0.00 O ATOM 809 CB GLU A 53 0.468 -3.498 -8.390 1.00 0.00 C ATOM 810 CG GLU A 53 1.185 -2.569 -9.355 1.00 0.00 C ATOM 811 CD GLU A 53 0.768 -2.793 -10.794 1.00 0.00 C ATOM 812 OE1 GLU A 53 -0.198 -2.145 -11.247 1.00 0.00 O ATOM 813 OE2 GLU A 53 1.405 -3.619 -11.482 1.00 0.00 O ATOM 0 H GLU A 53 -1.016 -4.207 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 53 1.729 -3.149 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.817 -4.517 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.598 -3.485 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.981 -1.535 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.261 -2.717 -9.265 1.00 0.00 H new ATOM 820 N GLY A 54 0.955 -0.828 -6.271 1.00 0.00 N ATOM 821 CA GLY A 54 0.477 0.481 -5.887 1.00 0.00 C ATOM 822 C GLY A 54 1.298 1.606 -6.471 1.00 0.00 C ATOM 823 O GLY A 54 2.096 1.396 -7.385 1.00 0.00 O ATOM 0 H GLY A 54 1.968 -0.946 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.559 0.591 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.485 0.560 -4.800 1.00 0.00 H new ATOM 827 N ARG A 55 1.102 2.803 -5.945 1.00 0.00 N ATOM 828 CA ARG A 55 1.811 3.975 -6.421 1.00 0.00 C ATOM 829 C ARG A 55 2.038 4.949 -5.277 1.00 0.00 C ATOM 830 O ARG A 55 1.186 5.108 -4.400 1.00 0.00 O ATOM 831 CB ARG A 55 1.019 4.649 -7.535 1.00 0.00 C ATOM 832 CG ARG A 55 -0.240 5.349 -7.056 1.00 0.00 C ATOM 833 CD ARG A 55 -1.231 5.535 -8.181 1.00 0.00 C ATOM 834 NE ARG A 55 -2.025 4.324 -8.399 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.864 4.148 -9.419 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.990 5.078 -10.359 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.574 3.031 -9.501 1.00 0.00 N ATOM 0 H ARG A 55 0.451 2.988 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 55 2.779 3.665 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.660 5.376 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.746 3.900 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.700 4.767 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.020 6.320 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.893 6.369 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.700 5.793 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.929 3.564 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.442 5.936 -10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.635 4.934 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.477 2.311 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.218 2.892 -10.280 1.00 0.00 H new ATOM 851 N THR A 56 3.197 5.565 -5.267 1.00 0.00 N ATOM 852 CA THR A 56 3.524 6.540 -4.249 1.00 0.00 C ATOM 853 C THR A 56 4.149 7.781 -4.893 1.00 0.00 C ATOM 854 O THR A 56 4.166 7.905 -6.121 1.00 0.00 O ATOM 855 CB THR A 56 4.460 5.918 -3.184 1.00 0.00 C ATOM 856 OG1 THR A 56 4.737 6.853 -2.132 1.00 0.00 O ATOM 857 CG2 THR A 56 5.759 5.442 -3.815 1.00 0.00 C ATOM 0 H THR A 56 3.933 5.408 -5.955 1.00 0.00 H new ATOM 0 HA THR A 56 2.610 6.848 -3.742 1.00 0.00 H new ATOM 0 HB THR A 56 3.946 5.058 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.973 6.892 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.400 5.009 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.541 4.689 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.269 6.286 -4.279 1.00 0.00 H new ATOM 865 N ASP A 57 4.650 8.689 -4.065 1.00 0.00 N ATOM 866 CA ASP A 57 5.285 9.916 -4.539 1.00 0.00 C ATOM 867 C ASP A 57 6.513 9.597 -5.384 1.00 0.00 C ATOM 868 O ASP A 57 6.763 10.230 -6.411 1.00 0.00 O ATOM 869 CB ASP A 57 5.682 10.791 -3.346 1.00 0.00 C ATOM 870 CG ASP A 57 6.570 11.955 -3.735 1.00 0.00 C ATOM 871 OD1 ASP A 57 6.059 12.931 -4.321 1.00 0.00 O ATOM 872 OD2 ASP A 57 7.786 11.898 -3.452 1.00 0.00 O ATOM 0 H ASP A 57 4.629 8.598 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 57 4.572 10.457 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.781 11.173 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.199 10.177 -2.609 1.00 0.00 H new ATOM 877 N LYS A 58 7.269 8.602 -4.951 1.00 0.00 N ATOM 878 CA LYS A 58 8.487 8.209 -5.643 1.00 0.00 C ATOM 879 C LYS A 58 8.180 7.327 -6.847 1.00 0.00 C ATOM 880 O LYS A 58 8.399 7.721 -7.992 1.00 0.00 O ATOM 881 CB LYS A 58 9.434 7.480 -4.686 1.00 0.00 C ATOM 882 CG LYS A 58 10.130 8.392 -3.701 1.00 0.00 C ATOM 883 CD LYS A 58 9.242 8.651 -2.518 1.00 0.00 C ATOM 884 CE LYS A 58 9.844 9.665 -1.559 1.00 0.00 C ATOM 885 NZ LYS A 58 10.014 10.999 -2.193 1.00 0.00 N ATOM 0 H LYS A 58 7.060 8.049 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 58 8.973 9.116 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.870 6.728 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.186 6.949 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.064 7.938 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.387 9.334 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.274 9.012 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.062 7.715 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.203 9.759 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.811 9.304 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.927 11.741 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.953 11.056 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.280 11.135 -2.918 1.00 0.00 H new ATOM 899 N ILE A 59 7.660 6.138 -6.583 1.00 0.00 N ATOM 900 CA ILE A 59 7.427 5.161 -7.635 1.00 0.00 C ATOM 901 C ILE A 59 5.942 4.859 -7.790 1.00 0.00 C ATOM 902 O ILE A 59 5.248 4.586 -6.810 1.00 0.00 O ATOM 903 CB ILE A 59 8.176 3.846 -7.340 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.627 4.149 -6.979 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.110 2.908 -8.540 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.041 3.615 -5.625 1.00 0.00 C ATOM 0 H ILE A 59 7.391 5.827 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 59 7.802 5.594 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 59 7.696 3.350 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.279 3.724 -7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.779 5.228 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.645 1.986 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.069 2.677 -8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.570 3.389 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.084 3.869 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.415 4.060 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.922 2.532 -5.609 1.00 0.00 H new ATOM 918 N LYS A 60 5.459 4.919 -9.017 1.00 0.00 N ATOM 919 CA LYS A 60 4.086 4.549 -9.311 1.00 0.00 C ATOM 920 C LYS A 60 4.050 3.278 -10.153 1.00 0.00 C ATOM 921 O LYS A 60 4.841 3.112 -11.083 1.00 0.00 O ATOM 922 CB LYS A 60 3.350 5.687 -10.028 1.00 0.00 C ATOM 923 CG LYS A 60 4.021 6.146 -11.311 1.00 0.00 C ATOM 924 CD LYS A 60 3.139 7.109 -12.094 1.00 0.00 C ATOM 925 CE LYS A 60 1.901 6.418 -12.645 1.00 0.00 C ATOM 926 NZ LYS A 60 2.243 5.404 -13.677 1.00 0.00 N ATOM 0 H LYS A 60 5.998 5.221 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 60 3.575 4.360 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.335 5.362 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.267 6.536 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.968 6.631 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.253 5.280 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.838 7.934 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.711 7.540 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.361 5.937 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.232 7.163 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.377 5.104 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.906 5.817 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.685 4.580 -13.221 1.00 0.00 H new ATOM 940 N GLY A 61 3.144 2.376 -9.809 1.00 0.00 N ATOM 941 CA GLY A 61 3.002 1.147 -10.560 1.00 0.00 C ATOM 942 C GLY A 61 4.037 0.114 -10.168 1.00 0.00 C ATOM 943 O GLY A 61 4.578 -0.587 -11.023 1.00 0.00 O ATOM 0 H GLY A 61 2.503 2.474 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.004 0.738 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.091 1.362 -11.625 1.00 0.00 H new ATOM 947 N LEU A 62 4.321 0.023 -8.876 1.00 0.00 N ATOM 948 CA LEU A 62 5.285 -0.945 -8.388 1.00 0.00 C ATOM 949 C LEU A 62 4.575 -2.030 -7.592 1.00 0.00 C ATOM 950 O LEU A 62 3.649 -1.751 -6.827 1.00 0.00 O ATOM 951 CB LEU A 62 6.386 -0.277 -7.541 1.00 0.00 C ATOM 952 CG LEU A 62 6.031 0.090 -6.092 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.285 0.522 -5.349 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.986 1.197 -6.028 1.00 0.00 C ATOM 0 H LEU A 62 3.899 0.605 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 62 5.773 -1.399 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.247 -0.945 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.701 0.633 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 62 5.606 -0.795 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.028 0.781 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.007 -0.295 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.721 1.390 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.763 1.427 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.370 2.089 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.076 0.868 -6.530 1.00 0.00 H new ATOM 966 N VAL A 63 4.997 -3.265 -7.797 1.00 0.00 N ATOM 967 CA VAL A 63 4.395 -4.398 -7.118 1.00 0.00 C ATOM 968 C VAL A 63 5.165 -4.711 -5.846 1.00 0.00 C ATOM 969 O VAL A 63 6.345 -5.062 -5.892 1.00 0.00 O ATOM 970 CB VAL A 63 4.357 -5.653 -8.016 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.633 -6.798 -7.321 1.00 0.00 C ATOM 972 CG2 VAL A 63 3.706 -5.342 -9.354 1.00 0.00 C ATOM 0 H VAL A 63 5.758 -3.509 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 63 3.368 -4.125 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 63 5.385 -5.964 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.620 -7.670 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.150 -7.047 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.610 -6.498 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.691 -6.242 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.685 -4.997 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.275 -4.564 -9.863 1.00 0.00 H new ATOM 982 N LEU A 64 4.495 -4.575 -4.720 1.00 0.00 N ATOM 983 CA LEU A 64 5.126 -4.796 -3.427 1.00 0.00 C ATOM 984 C LEU A 64 4.327 -5.751 -2.568 1.00 0.00 C ATOM 985 O LEU A 64 3.098 -5.781 -2.616 1.00 0.00 O ATOM 986 CB LEU A 64 5.319 -3.479 -2.675 1.00 0.00 C ATOM 987 CG LEU A 64 6.545 -2.676 -3.095 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.505 -1.283 -2.490 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.809 -3.412 -2.676 1.00 0.00 C ATOM 0 H LEU A 64 3.511 -4.312 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 64 6.100 -5.242 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.432 -2.862 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.390 -3.693 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 64 6.545 -2.569 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.388 -0.726 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.609 -0.764 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.488 -1.359 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.683 -2.835 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.814 -3.539 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.837 -4.390 -3.156 1.00 0.00 H new ATOM 1001 N ARG A 65 5.045 -6.538 -1.787 1.00 0.00 N ATOM 1002 CA ARG A 65 4.430 -7.403 -0.802 1.00 0.00 C ATOM 1003 C ARG A 65 3.724 -6.575 0.256 1.00 0.00 C ATOM 1004 O ARG A 65 4.298 -5.645 0.823 1.00 0.00 O ATOM 1005 CB ARG A 65 5.477 -8.303 -0.154 1.00 0.00 C ATOM 1006 CG ARG A 65 6.803 -7.610 0.099 1.00 0.00 C ATOM 1007 CD ARG A 65 7.718 -8.467 0.957 1.00 0.00 C ATOM 1008 NE ARG A 65 7.757 -9.849 0.484 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.741 -10.708 0.726 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.810 -10.339 1.422 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.649 -11.946 0.260 1.00 0.00 N ATOM 0 H ARG A 65 6.063 -6.594 -1.818 1.00 0.00 H new ATOM 0 HA ARG A 65 3.695 -8.032 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.086 -8.677 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.646 -9.169 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.290 -7.393 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.628 -6.654 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.725 -8.049 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.375 -8.445 1.991 1.00 0.00 H new ATOM 0 HE ARG A 65 6.969 -10.179 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.883 -9.386 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.558 -11.009 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.830 -12.229 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.398 -12.615 0.439 1.00 0.00 H new ATOM 1025 N THR A 66 2.488 -6.930 0.533 1.00 0.00 N ATOM 1026 CA THR A 66 1.662 -6.175 1.455 1.00 0.00 C ATOM 1027 C THR A 66 1.896 -6.641 2.896 1.00 0.00 C ATOM 1028 O THR A 66 1.045 -6.467 3.771 1.00 0.00 O ATOM 1029 CB THR A 66 0.170 -6.311 1.070 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.644 -5.500 1.921 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.286 -7.762 1.145 1.00 0.00 C ATOM 0 H THR A 66 2.028 -7.745 0.129 1.00 0.00 H new ATOM 0 HA THR A 66 1.941 -5.123 1.391 1.00 0.00 H new ATOM 0 HB THR A 66 0.060 -5.968 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.167 -5.324 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.339 -7.827 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.307 -8.366 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.154 -8.133 2.161 1.00 0.00 H new ATOM 1039 N GLU A 67 3.085 -7.176 3.152 1.00 0.00 N ATOM 1040 CA GLU A 67 3.405 -7.738 4.455 1.00 0.00 C ATOM 1041 C GLU A 67 3.855 -6.634 5.380 1.00 0.00 C ATOM 1042 O GLU A 67 3.733 -6.718 6.601 1.00 0.00 O ATOM 1043 CB GLU A 67 4.511 -8.776 4.310 1.00 0.00 C ATOM 1044 CG GLU A 67 4.244 -9.745 3.178 1.00 0.00 C ATOM 1045 CD GLU A 67 5.229 -10.896 3.131 1.00 0.00 C ATOM 1046 OE1 GLU A 67 5.853 -11.198 4.166 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.373 -11.514 2.055 1.00 0.00 O ATOM 0 H GLU A 67 3.843 -7.231 2.472 1.00 0.00 H new ATOM 0 HA GLU A 67 2.520 -8.219 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.461 -8.270 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.611 -9.330 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.235 -10.143 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.280 -9.206 2.231 1.00 0.00 H new ATOM 1054 N PHE A 68 4.365 -5.591 4.765 1.00 0.00 N ATOM 1055 CA PHE A 68 4.858 -4.440 5.490 1.00 0.00 C ATOM 1056 C PHE A 68 4.000 -3.215 5.199 1.00 0.00 C ATOM 1057 O PHE A 68 4.394 -2.080 5.476 1.00 0.00 O ATOM 1058 CB PHE A 68 6.326 -4.189 5.134 1.00 0.00 C ATOM 1059 CG PHE A 68 6.594 -3.926 3.675 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.359 -2.679 3.119 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.100 -4.929 2.865 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.620 -2.439 1.783 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.365 -4.691 1.530 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.123 -3.447 0.989 1.00 0.00 C ATOM 0 H PHE A 68 4.450 -5.516 3.751 1.00 0.00 H new ATOM 0 HA PHE A 68 4.795 -4.639 6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.683 -3.337 5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.912 -5.054 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.967 -1.885 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.289 -5.907 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.430 -1.463 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.762 -5.481 0.910 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.327 -3.262 -0.055 1.00 0.00 H new ATOM 1074 N LEU A 69 2.811 -3.455 4.664 1.00 0.00 N ATOM 1075 CA LEU A 69 1.909 -2.372 4.325 1.00 0.00 C ATOM 1076 C LEU A 69 0.676 -2.435 5.198 1.00 0.00 C ATOM 1077 O LEU A 69 0.223 -3.516 5.581 1.00 0.00 O ATOM 1078 CB LEU A 69 1.507 -2.432 2.849 1.00 0.00 C ATOM 1079 CG LEU A 69 2.663 -2.400 1.845 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.152 -2.662 0.439 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.384 -1.064 1.901 1.00 0.00 C ATOM 0 H LEU A 69 2.453 -4.387 4.457 1.00 0.00 H new ATOM 0 HA LEU A 69 2.428 -1.429 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.932 -3.343 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.843 -1.594 2.638 1.00 0.00 H new ATOM 0 HG LEU A 69 3.369 -3.186 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.986 -2.636 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.677 -3.642 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.426 -1.896 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.202 -1.061 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.685 -0.263 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.783 -0.908 2.903 1.00 0.00 H new ATOM 1093 N LYS A 70 0.158 -1.273 5.522 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.996 -1.166 6.385 1.00 0.00 C ATOM 1095 C LYS A 70 -2.141 -0.503 5.645 1.00 0.00 C ATOM 1096 O LYS A 70 -1.980 0.592 5.109 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.636 -0.355 7.627 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.260 -0.903 8.892 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.767 -0.697 8.916 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.127 0.664 9.481 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.584 0.941 9.386 1.00 0.00 N ATOM 0 H LYS A 70 0.523 -0.378 5.196 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.308 -2.165 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.448 -0.337 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.959 0.677 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.038 -1.967 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.813 -0.415 9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.165 -0.791 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.234 -1.478 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.816 0.717 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.576 1.436 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.819 1.768 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.837 1.135 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.117 0.115 9.724 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.286 -1.165 5.619 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.454 -0.637 4.933 1.00 0.00 C ATOM 1117 C LYS A 71 -4.894 0.670 5.578 1.00 0.00 C ATOM 1118 O LYS A 71 -5.174 0.718 6.776 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.601 -1.645 4.965 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.857 -1.146 4.273 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.047 -2.042 4.569 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.349 -1.414 4.108 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.407 -1.253 2.635 1.00 0.00 N ATOM 0 H LYS A 71 -3.432 -2.070 6.066 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.186 -0.450 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.276 -2.571 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.836 -1.885 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.075 -0.129 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.689 -1.105 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.911 -3.003 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.097 -2.239 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.184 -2.033 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.468 -0.440 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.366 -0.965 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.726 -0.525 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.170 -2.156 2.177 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.944 1.728 4.788 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.291 3.033 5.305 1.00 0.00 C ATOM 1139 C ALA A 72 -6.794 3.256 5.242 1.00 0.00 C ATOM 1140 O ALA A 72 -7.387 3.260 4.163 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.557 4.117 4.533 1.00 0.00 C ATOM 0 H ALA A 72 -4.748 1.706 3.787 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.985 3.082 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.827 5.095 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.482 3.969 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.835 4.066 3.480 1.00 0.00 H new ATOM 1147 N GLY A 73 -7.412 3.413 6.401 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.816 3.760 6.436 1.00 0.00 C ATOM 1149 C GLY A 73 -9.014 5.213 6.070 1.00 0.00 C ATOM 1150 O GLY A 73 -10.074 5.610 5.586 1.00 0.00 O ATOM 0 H GLY A 73 -6.970 3.307 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.370 3.126 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.218 3.572 7.432 1.00 0.00 H new ATOM 1154 N SER A 74 -7.972 5.999 6.296 1.00 0.00 N ATOM 1155 CA SER A 74 -7.978 7.410 5.966 1.00 0.00 C ATOM 1156 C SER A 74 -6.656 7.791 5.302 1.00 0.00 C ATOM 1157 O SER A 74 -5.649 7.946 6.026 1.00 0.00 O ATOM 1158 CB SER A 74 -8.210 8.241 7.229 1.00 0.00 C ATOM 1159 OG SER A 74 -9.428 7.874 7.859 1.00 0.00 O ATOM 1160 OXT SER A 74 -6.629 7.920 4.060 1.00 0.00 O ATOM 0 H SER A 74 -7.100 5.673 6.713 1.00 0.00 H new ATOM 0 HA SER A 74 -8.789 7.614 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.380 8.098 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.233 9.300 6.973 1.00 0.00 H new ATOM 0 HG SER A 74 -9.556 8.416 8.665 1.00 0.00 H new TER 1166 SER A 74