USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.425 USER MOD Set 1.3: A 69 GLN : amide:sc= -3.5! C(o=-3.9!,f=-24!) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0181 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= -0.0756 (180deg=-0.642) USER MOD Single : A 3 LYS NZ :NH3+ -132:sc= -0.0747 (180deg=-0.552) USER MOD Single : A 5 THR OG1 : rot -111:sc= -0.154 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -42:sc= 0.249 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= -1.88 (180deg=-2.23!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 29 SER OG : rot -74:sc= 1.31 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.869 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.226 (180deg=-1.44) USER MOD Single : A 47 ASN : amide:sc= -1.04 K(o=-1,f=-2.6) USER MOD Single : A 55 ASN : amide:sc= -1.69! C(o=-1.7!,f=-2.3!) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0299 (180deg=-0.337) USER MOD Single : A 62 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.65) USER MOD Single : A 68 GLN :FLIP amide:sc= -3.19! C(o=-7.5!,f=-3.2!) USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= -0.044 (180deg=-0.415) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc=-0.00371 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.519 -7.680 1.148 1.00 1.00 N ATOM 2 CA ALA A 1 -9.585 -7.613 -0.008 1.00 1.00 C ATOM 3 C ALA A 1 -9.144 -9.024 -0.379 1.00 1.00 C ATOM 4 O ALA A 1 -8.891 -9.856 0.492 1.00 1.00 O ATOM 5 CB ALA A 1 -8.366 -6.768 0.368 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.482 -7.448 0.830 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.508 -8.640 1.548 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.221 -6.998 1.875 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.086 -7.155 -0.861 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.682 -6.719 -0.479 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.689 -5.761 0.632 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.858 -7.221 1.219 1.00 1.00 H new ATOM 13 N LYS A 2 -9.053 -9.287 -1.678 1.00 1.00 N ATOM 14 CA LYS A 2 -8.641 -10.597 -2.164 1.00 1.00 C ATOM 15 C LYS A 2 -7.119 -10.690 -2.185 1.00 1.00 C ATOM 16 O LYS A 2 -6.419 -9.697 -1.994 1.00 1.00 O ATOM 17 CB LYS A 2 -9.197 -10.830 -3.585 1.00 1.00 C ATOM 18 CG LYS A 2 -9.277 -9.493 -4.355 1.00 1.00 C ATOM 19 CD LYS A 2 -10.667 -8.858 -4.183 1.00 1.00 C ATOM 20 CE LYS A 2 -10.741 -7.568 -4.995 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.589 -7.894 -6.440 1.00 1.00 N ATOM 0 H LYS A 2 -9.259 -8.610 -2.413 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.036 -11.362 -1.495 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.557 -11.530 -4.123 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.186 -11.283 -3.526 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.510 -8.809 -3.990 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.076 -9.663 -5.413 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.439 -9.553 -4.513 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.855 -8.649 -3.130 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.693 -7.068 -4.820 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.957 -6.880 -4.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.011 -7.136 -7.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.579 -7.982 -6.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.071 -8.793 -6.646 1.00 1.00 H new ATOM 35 N LYS A 3 -6.618 -11.893 -2.426 1.00 1.00 N ATOM 36 CA LYS A 3 -5.183 -12.117 -2.483 1.00 1.00 C ATOM 37 C LYS A 3 -4.577 -11.405 -3.685 1.00 1.00 C ATOM 38 O LYS A 3 -3.393 -11.074 -3.688 1.00 1.00 O ATOM 39 CB LYS A 3 -4.897 -13.622 -2.586 1.00 1.00 C ATOM 40 CG LYS A 3 -5.845 -14.279 -3.625 1.00 1.00 C ATOM 41 CD LYS A 3 -6.968 -15.045 -2.913 1.00 1.00 C ATOM 42 CE LYS A 3 -7.871 -15.703 -3.952 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.523 -14.647 -4.777 1.00 1.00 N ATOM 0 H LYS A 3 -7.184 -12.727 -2.585 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.734 -11.718 -1.573 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.859 -13.783 -2.877 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.031 -14.092 -1.612 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.272 -13.513 -4.273 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.281 -14.958 -4.264 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.545 -15.801 -2.252 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.548 -14.365 -2.289 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.288 -16.369 -4.588 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.627 -16.314 -3.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.543 -14.840 -4.846 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.376 -13.719 -4.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.106 -14.644 -5.730 1.00 1.00 H new ATOM 57 N GLU A 4 -5.391 -11.184 -4.711 1.00 1.00 N ATOM 58 CA GLU A 4 -4.907 -10.520 -5.915 1.00 1.00 C ATOM 59 C GLU A 4 -4.539 -9.074 -5.615 1.00 1.00 C ATOM 60 O GLU A 4 -3.472 -8.607 -6.002 1.00 1.00 O ATOM 61 CB GLU A 4 -5.985 -10.559 -7.004 1.00 1.00 C ATOM 62 CG GLU A 4 -5.407 -10.041 -8.326 1.00 1.00 C ATOM 63 CD GLU A 4 -4.390 -11.040 -8.872 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.314 -12.131 -8.332 1.00 1.00 O ATOM 65 OE2 GLU A 4 -3.698 -10.694 -9.815 1.00 1.00 O ATOM 0 H GLU A 4 -6.375 -11.451 -4.734 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.018 -11.045 -6.265 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.350 -11.578 -7.131 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.838 -9.950 -6.706 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.208 -9.891 -9.050 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.932 -9.072 -8.171 1.00 1.00 H new ATOM 72 N THR A 5 -5.430 -8.374 -4.922 1.00 1.00 N ATOM 73 CA THR A 5 -5.193 -6.974 -4.580 1.00 1.00 C ATOM 74 C THR A 5 -3.940 -6.833 -3.730 1.00 1.00 C ATOM 75 O THR A 5 -3.152 -5.907 -3.916 1.00 1.00 O ATOM 76 CB THR A 5 -6.394 -6.406 -3.817 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.589 -6.750 -4.501 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.288 -4.878 -3.730 1.00 1.00 C ATOM 0 H THR A 5 -6.318 -8.749 -4.587 1.00 1.00 H new ATOM 0 HA THR A 5 -5.055 -6.417 -5.506 1.00 1.00 H new ATOM 0 HB THR A 5 -6.406 -6.824 -2.810 1.00 1.00 H new ATOM 0 HG1 THR A 5 -7.991 -5.942 -4.884 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.146 -4.484 -3.186 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.371 -4.606 -3.207 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.271 -4.457 -4.735 1.00 1.00 H new ATOM 86 N ILE A 6 -3.765 -7.751 -2.791 1.00 1.00 N ATOM 87 CA ILE A 6 -2.610 -7.713 -1.904 1.00 1.00 C ATOM 88 C ILE A 6 -1.325 -7.803 -2.720 1.00 1.00 C ATOM 89 O ILE A 6 -0.349 -7.107 -2.441 1.00 1.00 O ATOM 90 CB ILE A 6 -2.667 -8.885 -0.918 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.869 -8.705 0.016 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.378 -8.921 -0.083 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.072 -9.961 0.882 1.00 1.00 C ATOM 0 H ILE A 6 -4.404 -8.528 -2.623 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.624 -6.774 -1.351 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.767 -9.818 -1.472 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.713 -7.836 0.656 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.767 -8.512 -0.571 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.421 -9.755 0.617 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.520 -9.046 -0.744 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.277 -7.988 0.471 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.930 -9.815 1.539 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.250 -10.822 0.238 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.180 -10.136 1.483 1.00 1.00 H new ATOM 105 N ASP A 7 -1.326 -8.674 -3.726 1.00 1.00 N ATOM 106 CA ASP A 7 -0.149 -8.848 -4.563 1.00 1.00 C ATOM 107 C ASP A 7 0.203 -7.547 -5.275 1.00 1.00 C ATOM 108 O ASP A 7 1.363 -7.148 -5.309 1.00 1.00 O ATOM 109 CB ASP A 7 -0.407 -9.939 -5.604 1.00 1.00 C ATOM 110 CG ASP A 7 0.853 -10.185 -6.430 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.799 -9.431 -6.273 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.851 -11.123 -7.210 1.00 1.00 O ATOM 0 H ASP A 7 -2.120 -9.263 -3.977 1.00 1.00 H new ATOM 0 HA ASP A 7 0.685 -9.138 -3.924 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.712 -10.861 -5.108 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.227 -9.642 -6.257 1.00 1.00 H new ATOM 117 N LYS A 8 -0.800 -6.891 -5.850 1.00 1.00 N ATOM 118 CA LYS A 8 -0.558 -5.646 -6.570 1.00 1.00 C ATOM 119 C LYS A 8 0.057 -4.594 -5.658 1.00 1.00 C ATOM 120 O LYS A 8 1.062 -3.977 -6.000 1.00 1.00 O ATOM 121 CB LYS A 8 -1.872 -5.113 -7.133 1.00 1.00 C ATOM 122 CG LYS A 8 -2.611 -6.229 -7.908 1.00 1.00 C ATOM 123 CD LYS A 8 -3.322 -5.645 -9.132 1.00 1.00 C ATOM 124 CE LYS A 8 -4.324 -4.587 -8.679 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.304 -4.337 -9.772 1.00 1.00 N ATOM 0 H LYS A 8 -1.774 -7.195 -5.833 1.00 1.00 H new ATOM 0 HA LYS A 8 0.140 -5.855 -7.381 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.501 -4.745 -6.322 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.677 -4.268 -7.794 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.901 -6.994 -8.222 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.336 -6.715 -7.255 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.594 -5.204 -9.813 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.834 -6.436 -9.680 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.842 -4.921 -7.780 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.804 -3.664 -8.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.989 -3.616 -9.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.802 -4.001 -10.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.807 -5.219 -9.996 1.00 1.00 H new ATOM 139 N VAL A 9 -0.549 -4.396 -4.496 1.00 1.00 N ATOM 140 CA VAL A 9 -0.042 -3.419 -3.552 1.00 1.00 C ATOM 141 C VAL A 9 1.341 -3.835 -3.061 1.00 1.00 C ATOM 142 O VAL A 9 2.256 -3.019 -2.992 1.00 1.00 O ATOM 143 CB VAL A 9 -0.999 -3.294 -2.363 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.460 -2.268 -1.364 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.372 -2.843 -2.852 1.00 1.00 C ATOM 0 H VAL A 9 -1.384 -4.895 -4.189 1.00 1.00 H new ATOM 0 HA VAL A 9 0.034 -2.453 -4.052 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.084 -4.265 -1.875 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.147 -2.185 -0.521 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.518 -2.589 -1.005 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.367 -1.298 -1.853 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.050 -2.755 -2.003 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.283 -1.876 -3.346 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.766 -3.575 -3.557 1.00 1.00 H new ATOM 155 N SER A 10 1.487 -5.111 -2.724 1.00 1.00 N ATOM 156 CA SER A 10 2.765 -5.619 -2.240 1.00 1.00 C ATOM 157 C SER A 10 3.827 -5.558 -3.333 1.00 1.00 C ATOM 158 O SER A 10 4.986 -5.240 -3.070 1.00 1.00 O ATOM 159 CB SER A 10 2.603 -7.063 -1.770 1.00 1.00 C ATOM 160 OG SER A 10 2.520 -7.919 -2.902 1.00 1.00 O ATOM 0 H SER A 10 0.744 -5.807 -2.776 1.00 1.00 H new ATOM 0 HA SER A 10 3.087 -4.993 -1.408 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.447 -7.350 -1.143 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.705 -7.160 -1.159 1.00 1.00 H new ATOM 0 HG SER A 10 1.953 -7.504 -3.585 1.00 1.00 H new ATOM 166 N ASP A 11 3.425 -5.872 -4.562 1.00 1.00 N ATOM 167 CA ASP A 11 4.356 -5.858 -5.688 1.00 1.00 C ATOM 168 C ASP A 11 4.954 -4.474 -5.870 1.00 1.00 C ATOM 169 O ASP A 11 6.154 -4.320 -6.061 1.00 1.00 O ATOM 170 CB ASP A 11 3.629 -6.262 -6.965 1.00 1.00 C ATOM 171 CG ASP A 11 4.627 -6.436 -8.104 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.792 -6.142 -7.898 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.211 -6.870 -9.166 1.00 1.00 O ATOM 0 H ASP A 11 2.470 -6.137 -4.803 1.00 1.00 H new ATOM 0 HA ASP A 11 5.158 -6.566 -5.480 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.084 -7.192 -6.804 1.00 1.00 H new ATOM 0 HB3 ASP A 11 2.893 -5.503 -7.229 1.00 1.00 H new ATOM 178 N ILE A 12 4.103 -3.464 -5.819 1.00 1.00 N ATOM 179 CA ILE A 12 4.566 -2.094 -5.977 1.00 1.00 C ATOM 180 C ILE A 12 5.343 -1.645 -4.746 1.00 1.00 C ATOM 181 O ILE A 12 6.378 -0.994 -4.855 1.00 1.00 O ATOM 182 CB ILE A 12 3.371 -1.167 -6.192 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.553 -1.652 -7.399 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.871 0.264 -6.447 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.141 -1.077 -7.322 1.00 1.00 C ATOM 0 H ILE A 12 3.099 -3.563 -5.671 1.00 1.00 H new ATOM 0 HA ILE A 12 5.226 -2.049 -6.844 1.00 1.00 H new ATOM 0 HB ILE A 12 2.740 -1.176 -5.303 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.034 -1.340 -8.326 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.513 -2.741 -7.411 1.00 1.00 H new ATOM 0 HG21 ILE A 12 3.018 0.925 -6.600 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.446 0.607 -5.587 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.504 0.276 -7.335 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.561 -1.421 -8.178 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.662 -1.411 -6.401 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.191 0.012 -7.331 1.00 1.00 H new ATOM 197 N VAL A 13 4.822 -1.984 -3.568 1.00 1.00 N ATOM 198 CA VAL A 13 5.470 -1.579 -2.318 1.00 1.00 C ATOM 199 C VAL A 13 6.868 -2.181 -2.179 1.00 1.00 C ATOM 200 O VAL A 13 7.849 -1.464 -2.015 1.00 1.00 O ATOM 201 CB VAL A 13 4.611 -2.024 -1.126 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.381 -1.821 0.193 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.312 -1.203 -1.089 1.00 1.00 C ATOM 0 H VAL A 13 3.968 -2.529 -3.451 1.00 1.00 H new ATOM 0 HA VAL A 13 5.569 -0.494 -2.334 1.00 1.00 H new ATOM 0 HB VAL A 13 4.374 -3.082 -1.241 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.760 -2.141 1.030 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.297 -2.412 0.174 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.632 -0.767 0.309 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.704 -1.521 -0.242 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.553 -0.145 -0.986 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.756 -1.360 -2.013 1.00 1.00 H new ATOM 213 N LYS A 14 6.945 -3.501 -2.235 1.00 1.00 N ATOM 214 CA LYS A 14 8.223 -4.179 -2.095 1.00 1.00 C ATOM 215 C LYS A 14 9.234 -3.606 -3.084 1.00 1.00 C ATOM 216 O LYS A 14 10.409 -3.442 -2.764 1.00 1.00 O ATOM 217 CB LYS A 14 8.031 -5.681 -2.330 1.00 1.00 C ATOM 218 CG LYS A 14 7.860 -5.957 -3.829 1.00 1.00 C ATOM 219 CD LYS A 14 7.261 -7.347 -4.038 1.00 1.00 C ATOM 220 CE LYS A 14 8.144 -8.391 -3.362 1.00 1.00 C ATOM 221 NZ LYS A 14 7.758 -9.746 -3.838 1.00 1.00 N ATOM 0 H LYS A 14 6.146 -4.119 -2.375 1.00 1.00 H new ATOM 0 HA LYS A 14 8.607 -4.024 -1.087 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.890 -6.231 -1.946 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.156 -6.034 -1.784 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.213 -5.202 -4.275 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.824 -5.888 -4.333 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.253 -7.386 -3.625 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.177 -7.562 -5.103 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.193 -8.199 -3.589 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.036 -8.329 -2.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.359 -10.460 -3.378 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.762 -9.927 -3.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.883 -9.800 -4.869 1.00 1.00 H new ATOM 235 N GLU A 15 8.759 -3.305 -4.286 1.00 1.00 N ATOM 236 CA GLU A 15 9.624 -2.749 -5.317 1.00 1.00 C ATOM 237 C GLU A 15 10.021 -1.318 -4.979 1.00 1.00 C ATOM 238 O GLU A 15 11.115 -0.865 -5.305 1.00 1.00 O ATOM 239 CB GLU A 15 8.918 -2.783 -6.672 1.00 1.00 C ATOM 240 CG GLU A 15 8.846 -4.233 -7.168 1.00 1.00 C ATOM 241 CD GLU A 15 8.025 -4.308 -8.449 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.578 -3.267 -8.902 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.853 -5.403 -8.957 1.00 1.00 O ATOM 0 H GLU A 15 7.788 -3.435 -4.569 1.00 1.00 H new ATOM 0 HA GLU A 15 10.527 -3.357 -5.366 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.915 -2.366 -6.583 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.457 -2.166 -7.392 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.851 -4.614 -7.348 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.398 -4.866 -6.402 1.00 1.00 H new ATOM 250 N LYS A 16 9.110 -0.608 -4.332 1.00 1.00 N ATOM 251 CA LYS A 16 9.354 0.777 -3.951 1.00 1.00 C ATOM 252 C LYS A 16 10.402 0.878 -2.850 1.00 1.00 C ATOM 253 O LYS A 16 11.192 1.819 -2.816 1.00 1.00 O ATOM 254 CB LYS A 16 8.055 1.409 -3.465 1.00 1.00 C ATOM 255 CG LYS A 16 7.087 1.618 -4.658 1.00 1.00 C ATOM 256 CD LYS A 16 6.992 3.092 -5.043 1.00 1.00 C ATOM 257 CE LYS A 16 8.335 3.604 -5.536 1.00 1.00 C ATOM 258 NZ LYS A 16 8.818 2.742 -6.655 1.00 1.00 N ATOM 0 H LYS A 16 8.195 -0.967 -4.059 1.00 1.00 H new ATOM 0 HA LYS A 16 9.727 1.305 -4.828 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.588 0.770 -2.715 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.264 2.365 -2.984 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.431 1.038 -5.514 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.097 1.244 -4.396 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.239 3.222 -5.821 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.667 3.678 -4.183 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.241 4.636 -5.873 1.00 1.00 H new ATOM 0 HE3 LYS A 16 9.059 3.599 -4.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.667 2.223 -6.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.074 2.065 -6.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.051 3.337 -7.476 1.00 1.00 H new ATOM 272 N LEU A 17 10.378 -0.079 -1.932 1.00 1.00 N ATOM 273 CA LEU A 17 11.308 -0.074 -0.807 1.00 1.00 C ATOM 274 C LEU A 17 12.561 -0.883 -1.132 1.00 1.00 C ATOM 275 O LEU A 17 13.542 -0.838 -0.390 1.00 1.00 O ATOM 276 CB LEU A 17 10.616 -0.668 0.418 1.00 1.00 C ATOM 277 CG LEU A 17 9.289 0.063 0.658 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.579 -0.549 1.865 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.544 1.555 0.915 1.00 1.00 C ATOM 0 H LEU A 17 9.729 -0.866 -1.942 1.00 1.00 H new ATOM 0 HA LEU A 17 11.608 0.954 -0.605 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.435 -1.732 0.267 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.259 -0.575 1.293 1.00 1.00 H new ATOM 0 HG LEU A 17 8.662 -0.042 -0.228 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.636 -0.029 2.035 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.382 -1.604 1.675 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.211 -0.451 2.747 1.00 1.00 H new ATOM 0 HD21 LEU A 17 8.594 2.063 1.084 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.178 1.670 1.794 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.041 1.994 0.050 1.00 1.00 H new ATOM 291 N ALA A 18 12.523 -1.618 -2.237 1.00 1.00 N ATOM 292 CA ALA A 18 13.667 -2.431 -2.638 1.00 1.00 C ATOM 293 C ALA A 18 13.424 -3.048 -4.005 1.00 1.00 C ATOM 294 O ALA A 18 12.567 -2.594 -4.752 1.00 1.00 O ATOM 295 CB ALA A 18 13.902 -3.538 -1.613 1.00 1.00 C ATOM 0 H ALA A 18 11.722 -1.669 -2.866 1.00 1.00 H new ATOM 0 HA ALA A 18 14.548 -1.791 -2.690 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.757 -4.141 -1.918 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.101 -3.094 -0.637 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.016 -4.170 -1.551 1.00 1.00 H new ATOM 301 N LEU A 19 14.187 -4.086 -4.331 1.00 1.00 N ATOM 302 CA LEU A 19 14.038 -4.759 -5.619 1.00 1.00 C ATOM 303 C LEU A 19 12.950 -5.825 -5.535 1.00 1.00 C ATOM 304 O LEU A 19 12.369 -6.217 -6.549 1.00 1.00 O ATOM 305 CB LEU A 19 15.370 -5.406 -6.022 1.00 1.00 C ATOM 306 CG LEU A 19 16.299 -4.343 -6.613 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.525 -3.231 -5.585 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.636 -4.987 -6.980 1.00 1.00 C ATOM 0 H LEU A 19 14.910 -4.478 -3.727 1.00 1.00 H new ATOM 0 HA LEU A 19 13.752 -4.023 -6.371 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.838 -5.870 -5.154 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.196 -6.197 -6.751 1.00 1.00 H new ATOM 0 HG LEU A 19 15.845 -3.917 -7.507 1.00 1.00 H new ATOM 0 HD11 LEU A 19 17.187 -2.475 -6.007 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.570 -2.774 -5.327 1.00 1.00 H new ATOM 0 HD13 LEU A 19 16.980 -3.652 -4.688 1.00 1.00 H new ATOM 0 HD21 LEU A 19 18.300 -4.232 -7.401 1.00 1.00 H new ATOM 0 HD22 LEU A 19 18.092 -5.413 -6.086 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.471 -5.775 -7.714 1.00 1.00 H new ATOM 320 N GLY A 20 12.678 -6.290 -4.319 1.00 1.00 N ATOM 321 CA GLY A 20 11.656 -7.312 -4.108 1.00 1.00 C ATOM 322 C GLY A 20 12.249 -8.711 -4.246 1.00 1.00 C ATOM 323 O GLY A 20 11.672 -9.690 -3.769 1.00 1.00 O ATOM 0 H GLY A 20 13.148 -5.978 -3.469 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.218 -7.195 -3.117 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.850 -7.181 -4.830 1.00 1.00 H new ATOM 327 N ALA A 21 13.402 -8.799 -4.900 1.00 1.00 N ATOM 328 CA ALA A 21 14.061 -10.087 -5.096 1.00 1.00 C ATOM 329 C ALA A 21 14.658 -10.594 -3.790 1.00 1.00 C ATOM 330 O ALA A 21 14.430 -11.736 -3.391 1.00 1.00 O ATOM 331 CB ALA A 21 15.168 -9.954 -6.144 1.00 1.00 C ATOM 0 H ALA A 21 13.897 -8.002 -5.301 1.00 1.00 H new ATOM 0 HA ALA A 21 13.314 -10.802 -5.441 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.654 -10.919 -6.284 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.737 -9.625 -7.089 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.903 -9.223 -5.806 1.00 1.00 H new ATOM 337 N ASP A 22 15.426 -9.733 -3.127 1.00 1.00 N ATOM 338 CA ASP A 22 16.062 -10.092 -1.861 1.00 1.00 C ATOM 339 C ASP A 22 15.196 -9.681 -0.683 1.00 1.00 C ATOM 340 O ASP A 22 15.611 -9.784 0.472 1.00 1.00 O ATOM 341 CB ASP A 22 17.419 -9.407 -1.747 1.00 1.00 C ATOM 342 CG ASP A 22 17.288 -7.919 -2.045 1.00 1.00 C ATOM 343 OD1 ASP A 22 16.201 -7.497 -2.400 1.00 1.00 O ATOM 344 OD2 ASP A 22 18.282 -7.224 -1.917 1.00 1.00 O ATOM 0 H ASP A 22 15.623 -8.784 -3.444 1.00 1.00 H new ATOM 0 HA ASP A 22 16.191 -11.174 -1.843 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.823 -9.550 -0.745 1.00 1.00 H new ATOM 0 HB3 ASP A 22 18.124 -9.863 -2.442 1.00 1.00 H new ATOM 349 N VAL A 23 13.990 -9.205 -0.978 1.00 1.00 N ATOM 350 CA VAL A 23 13.061 -8.769 0.065 1.00 1.00 C ATOM 351 C VAL A 23 11.762 -9.560 -0.028 1.00 1.00 C ATOM 352 O VAL A 23 11.207 -9.750 -1.111 1.00 1.00 O ATOM 353 CB VAL A 23 12.766 -7.280 -0.106 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.628 -6.862 0.836 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.019 -6.468 0.219 1.00 1.00 C ATOM 0 H VAL A 23 13.632 -9.111 -1.928 1.00 1.00 H new ATOM 0 HA VAL A 23 13.514 -8.943 1.041 1.00 1.00 H new ATOM 0 HB VAL A 23 12.467 -7.092 -1.137 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.423 -5.799 0.709 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.732 -7.436 0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.921 -7.054 1.868 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.806 -5.406 0.096 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.321 -6.661 1.248 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.825 -6.757 -0.456 1.00 1.00 H new ATOM 365 N VAL A 24 11.278 -10.020 1.125 1.00 1.00 N ATOM 366 CA VAL A 24 10.038 -10.790 1.188 1.00 1.00 C ATOM 367 C VAL A 24 8.939 -9.958 1.837 1.00 1.00 C ATOM 368 O VAL A 24 9.119 -9.403 2.923 1.00 1.00 O ATOM 369 CB VAL A 24 10.256 -12.066 2.005 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.719 -11.704 3.419 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.941 -12.847 2.081 1.00 1.00 C ATOM 0 H VAL A 24 11.727 -9.872 2.029 1.00 1.00 H new ATOM 0 HA VAL A 24 9.739 -11.055 0.174 1.00 1.00 H new ATOM 0 HB VAL A 24 11.020 -12.678 1.525 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.873 -12.616 3.996 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.655 -11.147 3.364 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.960 -11.091 3.905 1.00 1.00 H new ATOM 0 HG21 VAL A 24 9.091 -13.757 2.662 1.00 1.00 H new ATOM 0 HG22 VAL A 24 8.180 -12.232 2.561 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.615 -13.109 1.075 1.00 1.00 H new ATOM 381 N VAL A 25 7.798 -9.866 1.156 1.00 1.00 N ATOM 382 CA VAL A 25 6.655 -9.095 1.654 1.00 1.00 C ATOM 383 C VAL A 25 5.458 -10.005 1.896 1.00 1.00 C ATOM 384 O VAL A 25 5.155 -10.880 1.084 1.00 1.00 O ATOM 385 CB VAL A 25 6.272 -8.019 0.645 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.770 -8.679 -0.639 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.166 -7.145 1.241 1.00 1.00 C ATOM 0 H VAL A 25 7.638 -10.317 0.255 1.00 1.00 H new ATOM 0 HA VAL A 25 6.943 -8.628 2.596 1.00 1.00 H new ATOM 0 HB VAL A 25 7.141 -7.403 0.415 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.496 -7.909 -1.361 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.557 -9.305 -1.058 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.898 -9.293 -0.415 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.887 -6.373 0.524 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.296 -7.762 1.467 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.526 -6.677 2.157 1.00 1.00 H new ATOM 397 N THR A 26 4.778 -9.793 3.021 1.00 1.00 N ATOM 398 CA THR A 26 3.605 -10.596 3.377 1.00 1.00 C ATOM 399 C THR A 26 2.529 -9.715 4.004 1.00 1.00 C ATOM 400 O THR A 26 2.814 -8.633 4.514 1.00 1.00 O ATOM 401 CB THR A 26 4.015 -11.711 4.357 1.00 1.00 C ATOM 402 OG1 THR A 26 5.010 -11.220 5.243 1.00 1.00 O ATOM 403 CG2 THR A 26 4.566 -12.908 3.580 1.00 1.00 C ATOM 0 H THR A 26 5.017 -9.073 3.703 1.00 1.00 H new ATOM 0 HA THR A 26 3.199 -11.048 2.472 1.00 1.00 H new ATOM 0 HB THR A 26 3.142 -12.027 4.928 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.270 -11.929 5.868 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.854 -13.694 4.278 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.800 -13.287 2.904 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.437 -12.598 3.003 1.00 1.00 H new ATOM 411 N ALA A 27 1.288 -10.193 3.961 1.00 1.00 N ATOM 412 CA ALA A 27 0.176 -9.455 4.521 1.00 1.00 C ATOM 413 C ALA A 27 0.429 -9.154 5.992 1.00 1.00 C ATOM 414 O ALA A 27 -0.091 -8.182 6.537 1.00 1.00 O ATOM 415 CB ALA A 27 -1.104 -10.283 4.368 1.00 1.00 C ATOM 0 H ALA A 27 1.035 -11.088 3.543 1.00 1.00 H new ATOM 0 HA ALA A 27 0.066 -8.510 3.990 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.946 -9.733 4.788 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.288 -10.477 3.311 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.990 -11.230 4.896 1.00 1.00 H new ATOM 421 N ASP A 28 1.232 -9.998 6.627 1.00 1.00 N ATOM 422 CA ASP A 28 1.549 -9.815 8.042 1.00 1.00 C ATOM 423 C ASP A 28 2.727 -8.861 8.211 1.00 1.00 C ATOM 424 O ASP A 28 3.002 -8.391 9.316 1.00 1.00 O ATOM 425 CB ASP A 28 1.894 -11.162 8.679 1.00 1.00 C ATOM 426 CG ASP A 28 1.907 -11.032 10.200 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.248 -10.140 10.707 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.573 -11.833 10.837 1.00 1.00 O ATOM 0 H ASP A 28 1.673 -10.809 6.192 1.00 1.00 H new ATOM 0 HA ASP A 28 0.675 -9.389 8.535 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.165 -11.914 8.376 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.868 -11.502 8.326 1.00 1.00 H new ATOM 433 N SER A 29 3.421 -8.577 7.113 1.00 1.00 N ATOM 434 CA SER A 29 4.567 -7.676 7.158 1.00 1.00 C ATOM 435 C SER A 29 4.105 -6.223 7.219 1.00 1.00 C ATOM 436 O SER A 29 3.155 -5.837 6.539 1.00 1.00 O ATOM 437 CB SER A 29 5.438 -7.885 5.920 1.00 1.00 C ATOM 438 OG SER A 29 4.922 -7.105 4.848 1.00 1.00 O ATOM 0 H SER A 29 3.212 -8.954 6.189 1.00 1.00 H new ATOM 0 HA SER A 29 5.147 -7.897 8.054 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.468 -7.597 6.132 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.452 -8.939 5.644 1.00 1.00 H new ATOM 0 HG SER A 29 4.100 -7.517 4.509 1.00 1.00 H new ATOM 444 N GLU A 30 4.782 -5.420 8.040 1.00 1.00 N ATOM 445 CA GLU A 30 4.430 -4.010 8.182 1.00 1.00 C ATOM 446 C GLU A 30 5.186 -3.161 7.167 1.00 1.00 C ATOM 447 O GLU A 30 6.135 -3.616 6.543 1.00 1.00 O ATOM 448 CB GLU A 30 4.777 -3.538 9.594 1.00 1.00 C ATOM 449 CG GLU A 30 3.874 -4.248 10.606 1.00 1.00 C ATOM 450 CD GLU A 30 4.291 -3.882 12.025 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.243 -3.131 12.167 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.655 -4.358 12.950 1.00 1.00 O ATOM 0 H GLU A 30 5.571 -5.720 8.612 1.00 1.00 H new ATOM 0 HA GLU A 30 3.360 -3.899 8.004 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.824 -3.750 9.813 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.648 -2.458 9.670 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.835 -3.965 10.439 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.937 -5.327 10.467 1.00 1.00 H new ATOM 459 N PHE A 31 4.758 -1.921 6.996 1.00 1.00 N ATOM 460 CA PHE A 31 5.429 -1.024 6.062 1.00 1.00 C ATOM 461 C PHE A 31 6.778 -0.576 6.617 1.00 1.00 C ATOM 462 O PHE A 31 7.763 -0.472 5.887 1.00 1.00 O ATOM 463 CB PHE A 31 4.547 0.192 5.783 1.00 1.00 C ATOM 464 CG PHE A 31 3.422 -0.204 4.855 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.661 -0.302 3.482 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.144 -0.465 5.363 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.623 -0.658 2.616 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.109 -0.823 4.494 1.00 1.00 C ATOM 469 CZ PHE A 31 1.348 -0.919 3.123 1.00 1.00 C ATOM 0 H PHE A 31 3.960 -1.514 7.483 1.00 1.00 H new ATOM 0 HA PHE A 31 5.603 -1.562 5.130 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.142 0.583 6.717 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.140 0.989 5.334 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.647 -0.103 3.090 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.958 -0.390 6.424 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.807 -0.731 1.554 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.123 -1.026 4.885 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.547 -1.195 2.453 1.00 1.00 H new ATOM 479 N SER A 32 6.805 -0.292 7.915 1.00 1.00 N ATOM 480 CA SER A 32 8.030 0.164 8.568 1.00 1.00 C ATOM 481 C SER A 32 9.118 -0.904 8.549 1.00 1.00 C ATOM 482 O SER A 32 10.278 -0.615 8.270 1.00 1.00 O ATOM 483 CB SER A 32 7.737 0.546 10.016 1.00 1.00 C ATOM 484 OG SER A 32 8.945 0.957 10.641 1.00 1.00 O ATOM 0 H SER A 32 5.998 -0.368 8.534 1.00 1.00 H new ATOM 0 HA SER A 32 8.390 1.030 8.012 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.002 1.350 10.052 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.307 -0.302 10.549 1.00 1.00 H new ATOM 0 HG SER A 32 8.764 1.205 11.572 1.00 1.00 H new ATOM 490 N LYS A 33 8.736 -2.132 8.861 1.00 1.00 N ATOM 491 CA LYS A 33 9.691 -3.228 8.891 1.00 1.00 C ATOM 492 C LYS A 33 10.352 -3.401 7.521 1.00 1.00 C ATOM 493 O LYS A 33 11.428 -3.981 7.412 1.00 1.00 O ATOM 494 CB LYS A 33 8.965 -4.524 9.305 1.00 1.00 C ATOM 495 CG LYS A 33 8.152 -5.093 8.118 1.00 1.00 C ATOM 496 CD LYS A 33 8.915 -6.231 7.424 1.00 1.00 C ATOM 497 CE LYS A 33 8.699 -7.534 8.190 1.00 1.00 C ATOM 498 NZ LYS A 33 9.374 -8.641 7.469 1.00 1.00 N ATOM 0 H LYS A 33 7.778 -2.394 9.095 1.00 1.00 H new ATOM 0 HA LYS A 33 10.472 -3.004 9.617 1.00 1.00 H new ATOM 0 HB2 LYS A 33 9.692 -5.263 9.643 1.00 1.00 H new ATOM 0 HB3 LYS A 33 8.301 -4.323 10.145 1.00 1.00 H new ATOM 0 HG2 LYS A 33 7.190 -5.460 8.474 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.945 -4.299 7.401 1.00 1.00 H new ATOM 0 HD2 LYS A 33 8.569 -6.340 6.396 1.00 1.00 H new ATOM 0 HD3 LYS A 33 9.978 -5.995 7.380 1.00 1.00 H new ATOM 0 HE2 LYS A 33 9.097 -7.446 9.201 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.633 -7.742 8.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 9.230 -9.531 7.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 8.974 -8.728 6.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 10.392 -8.441 7.401 1.00 1.00 H new ATOM 512 N LEU A 34 9.688 -2.898 6.479 1.00 1.00 N ATOM 513 CA LEU A 34 10.217 -3.010 5.122 1.00 1.00 C ATOM 514 C LEU A 34 11.224 -1.907 4.855 1.00 1.00 C ATOM 515 O LEU A 34 11.903 -1.906 3.826 1.00 1.00 O ATOM 516 CB LEU A 34 9.085 -2.928 4.095 1.00 1.00 C ATOM 517 CG LEU A 34 8.228 -4.206 4.143 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.956 -4.003 3.312 1.00 1.00 C ATOM 519 CD2 LEU A 34 9.028 -5.410 3.593 1.00 1.00 C ATOM 0 H LEU A 34 8.793 -2.414 6.548 1.00 1.00 H new ATOM 0 HA LEU A 34 10.711 -3.977 5.029 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.463 -2.057 4.298 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.500 -2.797 3.096 1.00 1.00 H new ATOM 0 HG LEU A 34 7.956 -4.411 5.178 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.350 -4.909 3.347 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.385 -3.168 3.719 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.227 -3.787 2.279 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.410 -6.307 3.633 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.316 -5.214 2.560 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.923 -5.559 4.198 1.00 1.00 H new ATOM 531 N GLY A 35 11.327 -0.970 5.790 1.00 1.00 N ATOM 532 CA GLY A 35 12.263 0.142 5.654 1.00 1.00 C ATOM 533 C GLY A 35 11.560 1.387 5.129 1.00 1.00 C ATOM 534 O GLY A 35 12.201 2.396 4.836 1.00 1.00 O ATOM 0 H GLY A 35 10.776 -0.957 6.648 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.719 0.358 6.620 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.069 -0.138 4.976 1.00 1.00 H new ATOM 538 N ALA A 36 10.236 1.315 5.010 1.00 1.00 N ATOM 539 CA ALA A 36 9.464 2.446 4.522 1.00 1.00 C ATOM 540 C ALA A 36 9.815 3.707 5.301 1.00 1.00 C ATOM 541 O ALA A 36 9.448 3.852 6.469 1.00 1.00 O ATOM 542 CB ALA A 36 7.969 2.156 4.670 1.00 1.00 C ATOM 0 H ALA A 36 9.683 0.491 5.244 1.00 1.00 H new ATOM 0 HA ALA A 36 9.704 2.602 3.470 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.395 3.007 4.303 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.712 1.268 4.092 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.734 1.986 5.721 1.00 1.00 H new ATOM 548 N ASP A 37 10.526 4.620 4.643 1.00 1.00 N ATOM 549 CA ASP A 37 10.926 5.882 5.266 1.00 1.00 C ATOM 550 C ASP A 37 9.927 6.981 4.931 1.00 1.00 C ATOM 551 O ASP A 37 8.910 6.733 4.282 1.00 1.00 O ATOM 552 CB ASP A 37 12.317 6.288 4.780 1.00 1.00 C ATOM 553 CG ASP A 37 13.366 5.348 5.366 1.00 1.00 C ATOM 554 OD1 ASP A 37 13.012 4.561 6.231 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.507 5.425 4.942 1.00 1.00 O ATOM 0 H ASP A 37 10.838 4.510 3.678 1.00 1.00 H new ATOM 0 HA ASP A 37 10.948 5.742 6.347 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.355 6.256 3.691 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.530 7.315 5.076 1.00 1.00 H new ATOM 560 N SER A 38 10.221 8.194 5.379 1.00 1.00 N ATOM 561 CA SER A 38 9.340 9.327 5.125 1.00 1.00 C ATOM 562 C SER A 38 9.277 9.633 3.631 1.00 1.00 C ATOM 563 O SER A 38 8.220 9.970 3.099 1.00 1.00 O ATOM 564 CB SER A 38 9.846 10.553 5.886 1.00 1.00 C ATOM 0 H SER A 38 11.058 8.419 5.917 1.00 1.00 H new ATOM 0 HA SER A 38 8.337 9.075 5.469 1.00 1.00 H new ATOM 569 N LEU A 39 10.419 9.515 2.961 1.00 1.00 N ATOM 570 CA LEU A 39 10.489 9.786 1.532 1.00 1.00 C ATOM 571 C LEU A 39 9.876 8.642 0.741 1.00 1.00 C ATOM 572 O LEU A 39 9.485 8.807 -0.414 1.00 1.00 O ATOM 573 CB LEU A 39 11.945 9.985 1.105 1.00 1.00 C ATOM 574 CG LEU A 39 12.536 11.246 1.786 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.169 10.888 3.140 1.00 1.00 C ATOM 576 CD2 LEU A 39 13.608 11.870 0.884 1.00 1.00 C ATOM 0 H LEU A 39 11.304 9.235 3.384 1.00 1.00 H new ATOM 0 HA LEU A 39 9.926 10.697 1.327 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.534 9.108 1.374 1.00 1.00 H new ATOM 0 HB3 LEU A 39 12.003 10.087 0.021 1.00 1.00 H new ATOM 0 HG LEU A 39 11.725 11.956 1.949 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.577 11.788 3.600 1.00 1.00 H new ATOM 0 HD12 LEU A 39 12.410 10.458 3.794 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.969 10.164 2.987 1.00 1.00 H new ATOM 0 HD21 LEU A 39 14.020 12.756 1.368 1.00 1.00 H new ATOM 0 HD22 LEU A 39 14.405 11.147 0.712 1.00 1.00 H new ATOM 0 HD23 LEU A 39 13.162 12.152 -0.070 1.00 1.00 H new ATOM 588 N ASP A 40 9.808 7.477 1.368 1.00 1.00 N ATOM 589 CA ASP A 40 9.230 6.306 0.724 1.00 1.00 C ATOM 590 C ASP A 40 7.712 6.302 0.865 1.00 1.00 C ATOM 591 O ASP A 40 6.991 6.127 -0.106 1.00 1.00 O ATOM 592 CB ASP A 40 9.804 5.033 1.339 1.00 1.00 C ATOM 593 CG ASP A 40 11.250 4.851 0.891 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.681 5.603 0.030 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.902 3.962 1.409 1.00 1.00 O ATOM 0 H ASP A 40 10.144 7.317 2.318 1.00 1.00 H new ATOM 0 HA ASP A 40 9.482 6.343 -0.336 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.755 5.089 2.426 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.209 4.171 1.037 1.00 1.00 H new ATOM 600 N THR A 41 7.233 6.489 2.093 1.00 1.00 N ATOM 601 CA THR A 41 5.797 6.473 2.357 1.00 1.00 C ATOM 602 C THR A 41 5.029 7.302 1.333 1.00 1.00 C ATOM 603 O THR A 41 3.978 6.887 0.847 1.00 1.00 O ATOM 604 CB THR A 41 5.524 7.031 3.758 1.00 1.00 C ATOM 605 OG1 THR A 41 6.149 6.207 4.731 1.00 1.00 O ATOM 606 CG2 THR A 41 4.014 7.072 4.010 1.00 1.00 C ATOM 0 H THR A 41 7.814 6.652 2.915 1.00 1.00 H new ATOM 0 HA THR A 41 5.458 5.440 2.287 1.00 1.00 H new ATOM 0 HB THR A 41 5.929 8.041 3.829 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.114 6.378 4.733 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.822 7.469 5.007 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.538 7.712 3.267 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.605 6.064 3.936 1.00 1.00 H new ATOM 614 N VAL A 42 5.565 8.462 1.011 1.00 1.00 N ATOM 615 CA VAL A 42 4.926 9.343 0.039 1.00 1.00 C ATOM 616 C VAL A 42 4.905 8.684 -1.336 1.00 1.00 C ATOM 617 O VAL A 42 3.936 8.820 -2.083 1.00 1.00 O ATOM 618 CB VAL A 42 5.666 10.680 -0.032 1.00 1.00 C ATOM 619 CG1 VAL A 42 7.127 10.428 -0.388 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.026 11.563 -1.108 1.00 1.00 C ATOM 0 H VAL A 42 6.436 8.820 1.402 1.00 1.00 H new ATOM 0 HA VAL A 42 3.900 9.526 0.358 1.00 1.00 H new ATOM 0 HB VAL A 42 5.604 11.182 0.933 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.658 11.378 -0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.584 9.798 0.375 1.00 1.00 H new ATOM 0 HG13 VAL A 42 7.185 9.927 -1.354 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.554 12.515 -1.158 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.088 11.062 -2.074 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.980 11.740 -0.858 1.00 1.00 H new ATOM 630 N GLU A 43 5.974 7.965 -1.662 1.00 1.00 N ATOM 631 CA GLU A 43 6.057 7.288 -2.945 1.00 1.00 C ATOM 632 C GLU A 43 5.037 6.159 -3.022 1.00 1.00 C ATOM 633 O GLU A 43 4.447 5.912 -4.072 1.00 1.00 O ATOM 634 CB GLU A 43 7.464 6.722 -3.153 1.00 1.00 C ATOM 635 CG GLU A 43 8.451 7.867 -3.378 1.00 1.00 C ATOM 636 CD GLU A 43 9.862 7.314 -3.555 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.019 6.108 -3.477 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.764 8.108 -3.766 1.00 1.00 O ATOM 0 H GLU A 43 6.787 7.838 -1.059 1.00 1.00 H new ATOM 0 HA GLU A 43 5.840 8.014 -3.729 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.763 6.137 -2.284 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.472 6.048 -4.010 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.162 8.438 -4.260 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.424 8.553 -2.531 1.00 1.00 H new ATOM 645 N ILE A 44 4.840 5.468 -1.904 1.00 1.00 N ATOM 646 CA ILE A 44 3.897 4.357 -1.870 1.00 1.00 C ATOM 647 C ILE A 44 2.481 4.841 -2.157 1.00 1.00 C ATOM 648 O ILE A 44 1.770 4.263 -2.973 1.00 1.00 O ATOM 649 CB ILE A 44 3.930 3.684 -0.494 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.364 3.269 -0.152 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.022 2.456 -0.484 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.933 2.335 -1.209 1.00 1.00 C ATOM 0 H ILE A 44 5.314 5.654 -1.020 1.00 1.00 H new ATOM 0 HA ILE A 44 4.189 3.640 -2.638 1.00 1.00 H new ATOM 0 HB ILE A 44 3.572 4.394 0.252 1.00 1.00 H new ATOM 0 HG12 ILE A 44 5.992 4.156 -0.070 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.381 2.776 0.820 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.055 1.987 0.500 1.00 1.00 H new ATOM 0 HG22 ILE A 44 1.999 2.758 -0.708 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.363 1.745 -1.236 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.952 2.058 -0.939 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.317 1.438 -1.271 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.938 2.839 -2.175 1.00 1.00 H new ATOM 664 N VAL A 45 2.076 5.904 -1.476 1.00 1.00 N ATOM 665 CA VAL A 45 0.738 6.442 -1.667 1.00 1.00 C ATOM 666 C VAL A 45 0.577 7.022 -3.069 1.00 1.00 C ATOM 667 O VAL A 45 -0.425 6.793 -3.736 1.00 1.00 O ATOM 668 CB VAL A 45 0.470 7.532 -0.633 1.00 1.00 C ATOM 669 CG1 VAL A 45 -0.945 8.079 -0.820 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.620 6.947 0.771 1.00 1.00 C ATOM 0 H VAL A 45 2.647 6.405 -0.795 1.00 1.00 H new ATOM 0 HA VAL A 45 0.022 5.630 -1.544 1.00 1.00 H new ATOM 0 HB VAL A 45 1.186 8.344 -0.763 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.135 8.857 -0.081 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.044 8.498 -1.821 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.667 7.272 -0.691 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.429 7.724 1.511 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.094 6.135 0.905 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.633 6.565 0.900 1.00 1.00 H new ATOM 680 N MET A 46 1.574 7.782 -3.509 1.00 1.00 N ATOM 681 CA MET A 46 1.523 8.394 -4.831 1.00 1.00 C ATOM 682 C MET A 46 1.427 7.340 -5.929 1.00 1.00 C ATOM 683 O MET A 46 0.637 7.472 -6.859 1.00 1.00 O ATOM 684 CB MET A 46 2.769 9.248 -5.050 1.00 1.00 C ATOM 685 CG MET A 46 2.689 9.923 -6.423 1.00 1.00 C ATOM 686 SD MET A 46 3.975 11.194 -6.552 1.00 1.00 S ATOM 687 CE MET A 46 5.391 10.122 -6.218 1.00 1.00 C ATOM 0 H MET A 46 2.419 7.987 -2.976 1.00 1.00 H new ATOM 0 HA MET A 46 0.631 9.018 -4.880 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.849 10.001 -4.266 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.663 8.628 -4.989 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.816 9.182 -7.212 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.705 10.371 -6.562 1.00 1.00 H new ATOM 0 HE1 MET A 46 6.290 10.562 -6.649 1.00 1.00 H new ATOM 0 HE2 MET A 46 5.520 10.015 -5.141 1.00 1.00 H new ATOM 0 HE3 MET A 46 5.218 9.142 -6.662 1.00 1.00 H new ATOM 697 N ASN A 47 2.240 6.296 -5.817 1.00 1.00 N ATOM 698 CA ASN A 47 2.232 5.233 -6.812 1.00 1.00 C ATOM 699 C ASN A 47 0.905 4.472 -6.799 1.00 1.00 C ATOM 700 O ASN A 47 0.314 4.225 -7.848 1.00 1.00 O ATOM 701 CB ASN A 47 3.387 4.265 -6.532 1.00 1.00 C ATOM 702 CG ASN A 47 4.699 4.852 -7.035 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.023 4.730 -8.217 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.477 5.490 -6.205 1.00 1.00 N ATOM 0 H ASN A 47 2.906 6.164 -5.056 1.00 1.00 H new ATOM 0 HA ASN A 47 2.354 5.683 -7.797 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.455 4.068 -5.462 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.197 3.309 -7.021 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.356 5.889 -6.534 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.206 5.590 -5.227 1.00 1.00 H new ATOM 711 N LEU A 48 0.448 4.094 -5.608 1.00 1.00 N ATOM 712 CA LEU A 48 -0.799 3.355 -5.487 1.00 1.00 C ATOM 713 C LEU A 48 -1.971 4.200 -5.958 1.00 1.00 C ATOM 714 O LEU A 48 -2.855 3.717 -6.662 1.00 1.00 O ATOM 715 CB LEU A 48 -1.006 2.936 -4.027 1.00 1.00 C ATOM 716 CG LEU A 48 0.056 1.908 -3.622 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.021 1.713 -2.100 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.200 0.563 -4.318 1.00 1.00 C ATOM 0 H LEU A 48 0.919 4.286 -4.724 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.744 2.466 -6.116 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.945 3.809 -3.377 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.002 2.512 -3.899 1.00 1.00 H new ATOM 0 HG LEU A 48 1.036 2.277 -3.926 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.776 0.982 -1.809 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.227 2.663 -1.607 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.964 1.355 -1.802 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.565 -0.153 -4.018 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.182 0.187 -4.032 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.164 0.700 -5.399 1.00 1.00 H new ATOM 730 N GLU A 49 -1.974 5.467 -5.577 1.00 1.00 N ATOM 731 CA GLU A 49 -3.051 6.356 -5.978 1.00 1.00 C ATOM 732 C GLU A 49 -3.130 6.456 -7.494 1.00 1.00 C ATOM 733 O GLU A 49 -4.215 6.529 -8.070 1.00 1.00 O ATOM 734 CB GLU A 49 -2.835 7.748 -5.370 1.00 1.00 C ATOM 735 CG GLU A 49 -3.254 7.746 -3.897 1.00 1.00 C ATOM 736 CD GLU A 49 -2.977 9.108 -3.277 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.478 9.969 -3.985 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.261 9.272 -2.103 1.00 1.00 O ATOM 0 H GLU A 49 -1.253 5.898 -4.998 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.992 5.947 -5.610 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.787 8.034 -5.458 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.415 8.489 -5.921 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.314 7.507 -3.812 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.709 6.973 -3.356 1.00 1.00 H new ATOM 745 N GLU A 50 -1.974 6.457 -8.131 1.00 1.00 N ATOM 746 CA GLU A 50 -1.915 6.546 -9.584 1.00 1.00 C ATOM 747 C GLU A 50 -2.318 5.221 -10.225 1.00 1.00 C ATOM 748 O GLU A 50 -2.961 5.203 -11.273 1.00 1.00 O ATOM 749 CB GLU A 50 -0.500 6.931 -10.038 1.00 1.00 C ATOM 750 CG GLU A 50 -0.544 7.499 -11.464 1.00 1.00 C ATOM 751 CD GLU A 50 -0.933 6.403 -12.450 1.00 1.00 C ATOM 752 OE1 GLU A 50 -0.576 5.263 -12.208 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.580 6.722 -13.435 1.00 1.00 O ATOM 0 H GLU A 50 -1.066 6.398 -7.671 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.616 7.317 -9.904 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.078 7.670 -9.356 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.152 6.058 -10.005 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.261 8.318 -11.516 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.429 7.911 -11.731 1.00 1.00 H new ATOM 760 N GLU A 51 -1.925 4.114 -9.599 1.00 1.00 N ATOM 761 CA GLU A 51 -2.241 2.801 -10.139 1.00 1.00 C ATOM 762 C GLU A 51 -3.740 2.537 -10.083 1.00 1.00 C ATOM 763 O GLU A 51 -4.350 2.150 -11.079 1.00 1.00 O ATOM 764 CB GLU A 51 -1.498 1.726 -9.344 1.00 1.00 C ATOM 765 CG GLU A 51 -1.478 0.410 -10.127 1.00 1.00 C ATOM 766 CD GLU A 51 -2.881 -0.188 -10.177 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.622 0.015 -9.230 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.195 -0.829 -11.166 1.00 1.00 O ATOM 0 H GLU A 51 -1.394 4.102 -8.728 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.925 2.771 -11.182 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.478 2.053 -9.141 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.983 1.576 -8.379 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.112 0.585 -11.139 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.791 -0.293 -9.656 1.00 1.00 H new ATOM 775 N PHE A 52 -4.328 2.744 -8.909 1.00 1.00 N ATOM 776 CA PHE A 52 -5.758 2.519 -8.729 1.00 1.00 C ATOM 777 C PHE A 52 -6.544 3.776 -9.080 1.00 1.00 C ATOM 778 O PHE A 52 -7.775 3.779 -9.055 1.00 1.00 O ATOM 779 CB PHE A 52 -6.040 2.114 -7.280 1.00 1.00 C ATOM 780 CG PHE A 52 -5.457 0.749 -7.011 1.00 1.00 C ATOM 781 CD1 PHE A 52 -4.139 0.632 -6.555 1.00 1.00 C ATOM 782 CD2 PHE A 52 -6.233 -0.398 -7.213 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.595 -0.630 -6.302 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.689 -1.663 -6.958 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.369 -1.779 -6.503 1.00 1.00 C ATOM 0 H PHE A 52 -3.840 3.065 -8.073 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.073 1.716 -9.395 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.608 2.846 -6.597 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.115 2.103 -7.098 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.542 1.518 -6.398 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.250 -0.308 -7.565 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.577 -0.719 -5.951 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.287 -2.549 -7.112 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.949 -2.754 -6.307 1.00 1.00 H new ATOM 795 N GLY A 53 -5.824 4.841 -9.416 1.00 1.00 N ATOM 796 CA GLY A 53 -6.466 6.096 -9.781 1.00 1.00 C ATOM 797 C GLY A 53 -7.480 6.519 -8.727 1.00 1.00 C ATOM 798 O GLY A 53 -8.642 6.787 -9.037 1.00 1.00 O ATOM 0 H GLY A 53 -4.805 4.860 -9.443 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.711 6.874 -9.897 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.963 5.987 -10.745 1.00 1.00 H new ATOM 802 N ILE A 54 -7.032 6.577 -7.474 1.00 1.00 N ATOM 803 CA ILE A 54 -7.901 6.971 -6.360 1.00 1.00 C ATOM 804 C ILE A 54 -7.355 8.212 -5.665 1.00 1.00 C ATOM 805 O ILE A 54 -6.454 8.877 -6.173 1.00 1.00 O ATOM 806 CB ILE A 54 -8.011 5.824 -5.353 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.607 5.382 -4.933 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.753 4.647 -5.993 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.692 4.413 -3.747 1.00 1.00 C ATOM 0 H ILE A 54 -6.074 6.357 -7.202 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.889 7.200 -6.759 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.563 6.161 -4.476 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.103 4.900 -5.771 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.010 6.252 -4.660 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.830 3.831 -5.274 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.752 4.965 -6.290 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.205 4.306 -6.871 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.688 4.105 -3.456 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.177 4.909 -2.906 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.272 3.536 -4.035 1.00 1.00 H new ATOM 821 N ASN A 55 -7.913 8.523 -4.499 1.00 1.00 N ATOM 822 CA ASN A 55 -7.481 9.691 -3.739 1.00 1.00 C ATOM 823 C ASN A 55 -7.814 9.517 -2.263 1.00 1.00 C ATOM 824 O ASN A 55 -8.981 9.563 -1.870 1.00 1.00 O ATOM 825 CB ASN A 55 -8.174 10.946 -4.273 1.00 1.00 C ATOM 826 CG ASN A 55 -9.685 10.744 -4.280 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.341 10.924 -3.253 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.280 10.376 -5.381 1.00 1.00 N ATOM 0 H ASN A 55 -8.662 7.986 -4.062 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.402 9.796 -3.850 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.917 11.805 -3.654 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.823 11.164 -5.282 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.290 10.237 -5.393 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.735 10.228 -6.230 1.00 1.00 H new ATOM 835 N VAL A 56 -6.782 9.313 -1.448 1.00 1.00 N ATOM 836 CA VAL A 56 -6.963 9.128 -0.007 1.00 1.00 C ATOM 837 C VAL A 56 -5.975 9.990 0.774 1.00 1.00 C ATOM 838 O VAL A 56 -4.810 10.114 0.398 1.00 1.00 O ATOM 839 CB VAL A 56 -6.759 7.660 0.360 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.335 7.234 -0.004 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.978 7.478 1.863 1.00 1.00 C ATOM 0 H VAL A 56 -5.811 9.271 -1.759 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.977 9.431 0.253 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.472 7.045 -0.190 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.190 6.186 0.258 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.179 7.365 -1.075 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.620 7.847 0.545 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.833 6.431 2.128 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.265 8.093 2.412 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.993 7.780 2.122 1.00 1.00 H new ATOM 851 N ASP A 57 -6.453 10.581 1.864 1.00 1.00 N ATOM 852 CA ASP A 57 -5.609 11.429 2.695 1.00 1.00 C ATOM 853 C ASP A 57 -4.640 10.577 3.507 1.00 1.00 C ATOM 854 O ASP A 57 -4.962 9.456 3.898 1.00 1.00 O ATOM 855 CB ASP A 57 -6.474 12.267 3.639 1.00 1.00 C ATOM 856 CG ASP A 57 -5.622 13.326 4.332 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.415 13.294 4.159 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.191 14.157 5.019 1.00 1.00 O ATOM 0 H ASP A 57 -7.415 10.489 2.191 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.039 12.094 2.046 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.278 12.745 3.079 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.943 11.623 4.383 1.00 1.00 H new ATOM 863 N GLU A 58 -3.456 11.119 3.759 1.00 1.00 N ATOM 864 CA GLU A 58 -2.445 10.403 4.527 1.00 1.00 C ATOM 865 C GLU A 58 -2.902 10.209 5.968 1.00 1.00 C ATOM 866 O GLU A 58 -2.576 9.208 6.605 1.00 1.00 O ATOM 867 CB GLU A 58 -1.129 11.185 4.508 1.00 1.00 C ATOM 868 CG GLU A 58 -0.560 11.240 3.081 1.00 1.00 C ATOM 869 CD GLU A 58 -1.255 12.335 2.274 1.00 1.00 C ATOM 870 OE1 GLU A 58 -2.182 12.928 2.796 1.00 1.00 O ATOM 871 OE2 GLU A 58 -0.852 12.555 1.144 1.00 1.00 O ATOM 0 H GLU A 58 -3.172 12.047 3.445 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.295 9.424 4.072 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.294 12.196 4.880 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.408 10.713 5.176 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.513 11.431 3.117 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.696 10.276 2.591 1.00 1.00 H new ATOM 878 N ASP A 59 -3.663 11.174 6.479 1.00 1.00 N ATOM 879 CA ASP A 59 -4.152 11.098 7.851 1.00 1.00 C ATOM 880 C ASP A 59 -5.093 9.899 8.009 1.00 1.00 C ATOM 881 O ASP A 59 -5.058 9.198 9.021 1.00 1.00 O ATOM 882 CB ASP A 59 -4.896 12.398 8.205 1.00 1.00 C ATOM 883 CG ASP A 59 -3.908 13.464 8.680 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.718 13.254 8.520 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.360 14.471 9.201 1.00 1.00 O ATOM 0 H ASP A 59 -3.951 12.009 5.969 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.305 10.971 8.526 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.442 12.761 7.334 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.633 12.203 8.984 1.00 1.00 H new ATOM 890 N LYS A 60 -5.930 9.673 7.003 1.00 1.00 N ATOM 891 CA LYS A 60 -6.870 8.558 7.041 1.00 1.00 C ATOM 892 C LYS A 60 -6.136 7.228 6.978 1.00 1.00 C ATOM 893 O LYS A 60 -6.487 6.277 7.675 1.00 1.00 O ATOM 894 CB LYS A 60 -7.853 8.664 5.879 1.00 1.00 C ATOM 895 CG LYS A 60 -8.764 9.875 6.100 1.00 1.00 C ATOM 896 CD LYS A 60 -9.722 10.003 4.919 1.00 1.00 C ATOM 897 CE LYS A 60 -10.598 11.246 5.100 1.00 1.00 C ATOM 898 NZ LYS A 60 -11.488 11.058 6.281 1.00 1.00 N ATOM 0 H LYS A 60 -5.978 10.241 6.157 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.418 8.605 7.982 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.313 8.767 4.938 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.449 7.754 5.807 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.324 9.759 7.028 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.167 10.781 6.199 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.160 10.074 3.988 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.347 9.113 4.847 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -9.973 12.128 5.239 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.195 11.417 4.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.266 11.747 6.242 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.878 10.094 6.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -10.942 11.202 7.154 1.00 1.00 H new ATOM 912 N ALA A 61 -5.119 7.166 6.125 1.00 1.00 N ATOM 913 CA ALA A 61 -4.346 5.941 5.965 1.00 1.00 C ATOM 914 C ALA A 61 -3.441 5.703 7.172 1.00 1.00 C ATOM 915 O ALA A 61 -2.497 4.918 7.105 1.00 1.00 O ATOM 916 CB ALA A 61 -3.497 6.023 4.696 1.00 1.00 C ATOM 0 H ALA A 61 -4.813 7.943 5.539 1.00 1.00 H new ATOM 0 HA ALA A 61 -5.043 5.107 5.886 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.922 5.104 4.583 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -4.147 6.153 3.831 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.816 6.871 4.768 1.00 1.00 H new ATOM 922 N GLN A 62 -3.736 6.386 8.270 1.00 1.00 N ATOM 923 CA GLN A 62 -2.947 6.240 9.490 1.00 1.00 C ATOM 924 C GLN A 62 -3.183 4.875 10.130 1.00 1.00 C ATOM 925 O GLN A 62 -2.253 4.245 10.632 1.00 1.00 O ATOM 926 CB GLN A 62 -3.316 7.351 10.480 1.00 1.00 C ATOM 927 CG GLN A 62 -2.655 8.663 10.050 1.00 1.00 C ATOM 928 CD GLN A 62 -1.173 8.641 10.405 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.807 8.279 11.523 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.294 9.011 9.516 1.00 1.00 N ATOM 0 H GLN A 62 -4.512 7.044 8.343 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.891 6.319 9.231 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.398 7.473 10.518 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.990 7.080 11.484 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.778 8.807 8.977 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.143 9.504 10.543 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.600 9.311 8.590 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.700 9.001 9.746 1.00 1.00 H new ATOM 939 N ASP A 63 -4.432 4.428 10.108 1.00 1.00 N ATOM 940 CA ASP A 63 -4.783 3.141 10.694 1.00 1.00 C ATOM 941 C ASP A 63 -4.082 2.006 9.954 1.00 1.00 C ATOM 942 O ASP A 63 -4.212 0.839 10.323 1.00 1.00 O ATOM 943 CB ASP A 63 -6.296 2.935 10.638 1.00 1.00 C ATOM 944 CG ASP A 63 -6.689 1.733 11.492 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.902 1.354 12.344 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.771 1.211 11.282 1.00 1.00 O ATOM 0 H ASP A 63 -5.215 4.934 9.693 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.457 3.136 11.734 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.807 3.829 10.996 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.612 2.778 9.607 1.00 1.00 H new ATOM 951 N ILE A 64 -3.344 2.355 8.903 1.00 1.00 N ATOM 952 CA ILE A 64 -2.635 1.357 8.114 1.00 1.00 C ATOM 953 C ILE A 64 -1.344 0.949 8.807 1.00 1.00 C ATOM 954 O ILE A 64 -0.521 1.794 9.166 1.00 1.00 O ATOM 955 CB ILE A 64 -2.302 1.928 6.738 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.591 2.404 6.063 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.625 0.859 5.880 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.591 1.249 5.904 1.00 1.00 C ATOM 0 H ILE A 64 -3.223 3.315 8.581 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.277 0.482 8.008 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.620 2.771 6.849 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.042 3.201 6.654 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.359 2.825 5.085 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.390 1.274 4.900 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.705 0.532 6.365 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.296 0.008 5.763 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.497 1.616 5.422 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.146 0.464 5.292 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.840 0.846 6.886 1.00 1.00 H new ATOM 970 N SER A 65 -1.168 -0.357 8.994 1.00 1.00 N ATOM 971 CA SER A 65 0.030 -0.886 9.644 1.00 1.00 C ATOM 972 C SER A 65 0.576 -2.075 8.859 1.00 1.00 C ATOM 973 O SER A 65 1.738 -2.454 9.016 1.00 1.00 O ATOM 974 CB SER A 65 -0.301 -1.319 11.078 1.00 1.00 C ATOM 975 OG SER A 65 -1.235 -0.404 11.640 1.00 1.00 O ATOM 0 H SER A 65 -1.839 -1.069 8.705 1.00 1.00 H new ATOM 0 HA SER A 65 0.788 -0.103 9.671 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.716 -2.327 11.080 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.607 -1.347 11.681 1.00 1.00 H new ATOM 0 HG SER A 65 -1.451 -0.678 12.556 1.00 1.00 H new ATOM 981 N THR A 66 -0.268 -2.664 8.012 1.00 1.00 N ATOM 982 CA THR A 66 0.134 -3.816 7.201 1.00 1.00 C ATOM 983 C THR A 66 -0.391 -3.680 5.778 1.00 1.00 C ATOM 984 O THR A 66 -1.216 -2.814 5.490 1.00 1.00 O ATOM 985 CB THR A 66 -0.399 -5.107 7.825 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.812 -5.141 7.701 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.012 -5.159 9.303 1.00 1.00 C ATOM 0 H THR A 66 -1.232 -2.364 7.869 1.00 1.00 H new ATOM 0 HA THR A 66 1.223 -3.852 7.171 1.00 1.00 H new ATOM 0 HB THR A 66 0.032 -5.966 7.310 1.00 1.00 H new ATOM 0 HG1 THR A 66 -2.155 -5.968 8.099 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.392 -6.079 9.747 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.074 -5.133 9.396 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.441 -4.302 9.822 1.00 1.00 H new ATOM 995 N ILE A 67 0.095 -4.540 4.890 1.00 1.00 N ATOM 996 CA ILE A 67 -0.326 -4.498 3.497 1.00 1.00 C ATOM 997 C ILE A 67 -1.824 -4.734 3.386 1.00 1.00 C ATOM 998 O ILE A 67 -2.516 -4.028 2.656 1.00 1.00 O ATOM 999 CB ILE A 67 0.417 -5.566 2.699 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.930 -5.414 2.899 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.069 -5.454 1.222 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.397 -4.002 2.516 1.00 1.00 C ATOM 0 H ILE A 67 0.775 -5.268 5.108 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.093 -3.512 3.094 1.00 1.00 H new ATOM 0 HB ILE A 67 0.112 -6.549 3.057 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.185 -5.615 3.939 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.456 -6.152 2.293 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.605 -6.221 0.663 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -1.004 -5.592 1.090 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.357 -4.469 0.854 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.473 -3.921 2.667 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.163 -3.813 1.468 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.887 -3.268 3.140 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.324 -5.724 4.113 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.749 -6.020 4.072 1.00 1.00 C ATOM 1016 C GLN A 68 -4.568 -4.769 4.407 1.00 1.00 C ATOM 1017 O GLN A 68 -5.551 -4.463 3.733 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.066 -7.146 5.079 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.102 -8.503 4.371 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.433 -8.661 3.642 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.594 -8.113 2.470 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.357 -9.279 4.167 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.776 -6.326 4.728 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.016 -6.345 3.066 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.313 -7.160 5.867 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -5.026 -6.954 5.559 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.276 -8.578 3.663 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.974 -9.307 5.096 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.228 -9.707 5.084 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.252 -9.364 3.686 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.162 -4.054 5.450 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.879 -2.856 5.852 1.00 1.00 C ATOM 1033 C GLN A 69 -4.918 -1.860 4.704 1.00 1.00 C ATOM 1034 O GLN A 69 -5.953 -1.252 4.431 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.194 -2.225 7.067 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.303 -3.178 8.258 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.503 -2.633 9.431 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -2.284 -2.503 9.341 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.118 -2.302 10.530 1.00 1.00 N ATOM 0 H GLN A 69 -3.350 -4.281 6.024 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.901 -3.127 6.118 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.147 -2.021 6.844 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.660 -1.269 7.307 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.348 -3.299 8.544 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.932 -4.165 7.981 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.130 -2.411 10.601 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.588 -1.933 11.320 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.782 -1.695 4.033 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.702 -0.765 2.913 1.00 1.00 C ATOM 1050 C ALA A 70 -4.607 -1.219 1.777 1.00 1.00 C ATOM 1051 O ALA A 70 -5.279 -0.407 1.145 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.259 -0.675 2.409 1.00 1.00 C ATOM 0 H ALA A 70 -2.914 -2.187 4.242 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.029 0.216 3.257 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.209 0.022 1.572 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.614 -0.323 3.214 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.926 -1.660 2.081 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.620 -2.523 1.521 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.451 -3.069 0.456 1.00 1.00 C ATOM 1060 C ALA A 71 -6.930 -2.945 0.803 1.00 1.00 C ATOM 1061 O ALA A 71 -7.750 -2.610 -0.046 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.102 -4.540 0.224 1.00 1.00 C ATOM 0 H ALA A 71 -4.070 -3.215 2.031 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.257 -2.499 -0.453 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.727 -4.941 -0.574 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.053 -4.625 -0.060 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.276 -5.104 1.140 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.265 -3.219 2.058 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.652 -3.138 2.499 1.00 1.00 C ATOM 1070 C ASP A 72 -9.214 -1.738 2.286 1.00 1.00 C ATOM 1071 O ASP A 72 -10.303 -1.575 1.739 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.743 -3.505 3.978 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.176 -3.338 4.473 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.049 -3.998 3.935 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.380 -2.551 5.384 1.00 1.00 O ATOM 0 H ASP A 72 -6.603 -3.497 2.782 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.240 -3.839 1.907 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.417 -4.534 4.126 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.073 -2.872 4.560 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.466 -0.732 2.720 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.906 0.647 2.569 1.00 1.00 C ATOM 1082 C VAL A 73 -9.064 0.992 1.093 1.00 1.00 C ATOM 1083 O VAL A 73 -10.057 1.596 0.690 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.888 1.594 3.216 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.229 3.046 2.870 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.918 1.417 4.737 1.00 1.00 C ATOM 0 H VAL A 73 -7.560 -0.844 3.175 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.870 0.763 3.064 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.894 1.358 2.837 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.501 3.711 3.334 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.204 3.178 1.788 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.226 3.284 3.241 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.194 2.090 5.196 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.916 1.647 5.111 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.665 0.387 4.988 1.00 1.00 H new ATOM 1096 N ILE A 74 -8.079 0.607 0.290 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.134 0.894 -1.137 1.00 1.00 C ATOM 1098 C ILE A 74 -9.352 0.226 -1.766 1.00 1.00 C ATOM 1099 O ILE A 74 -10.140 0.878 -2.438 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.859 0.384 -1.816 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.663 1.240 -1.376 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.006 0.466 -3.339 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.350 0.548 -1.770 1.00 1.00 C ATOM 0 H ILE A 74 -7.246 0.104 0.596 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.213 1.972 -1.275 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.695 -0.654 -1.526 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.719 2.224 -1.841 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.693 1.395 -0.297 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.095 0.101 -3.813 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.850 -0.146 -3.657 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.178 1.501 -3.633 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.506 1.162 -1.454 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.292 -0.426 -1.284 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.318 0.416 -2.852 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.505 -1.073 -1.532 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.636 -1.810 -2.088 1.00 1.00 C ATOM 1117 C GLU A 75 -11.943 -1.072 -1.839 1.00 1.00 C ATOM 1118 O GLU A 75 -12.835 -1.067 -2.688 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.708 -3.197 -1.450 1.00 1.00 C ATOM 1120 CG GLU A 75 -9.570 -4.065 -1.980 1.00 1.00 C ATOM 1121 CD GLU A 75 -9.865 -4.509 -3.412 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.024 -4.502 -3.789 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -8.924 -4.844 -4.110 1.00 1.00 O ATOM 0 H GLU A 75 -8.867 -1.634 -0.967 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.489 -1.902 -3.164 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.640 -3.113 -0.365 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -11.668 -3.662 -1.674 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -8.634 -3.507 -1.950 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.441 -4.938 -1.340 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.050 -0.449 -0.676 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.259 0.289 -0.331 1.00 1.00 C ATOM 1132 C GLY A 76 -13.509 1.424 -1.321 1.00 1.00 C ATOM 1133 O GLY A 76 -14.648 1.681 -1.708 1.00 1.00 O ATOM 0 H GLY A 76 -11.323 -0.438 0.040 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.113 -0.388 -0.325 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -13.167 0.694 0.677 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.438 2.097 -1.728 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.555 3.201 -2.673 1.00 1.00 C ATOM 1139 C LEU A 77 -13.063 2.705 -4.019 1.00 1.00 C ATOM 1140 O LEU A 77 -13.900 3.349 -4.652 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.195 3.879 -2.843 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.821 4.612 -1.539 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.343 5.009 -1.584 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.687 5.878 -1.353 1.00 1.00 C ATOM 0 H LEU A 77 -11.486 1.899 -1.421 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.272 3.922 -2.281 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.435 3.137 -3.087 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.230 4.585 -3.673 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.002 3.941 -0.699 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.077 5.527 -0.663 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.729 4.114 -1.687 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.169 5.668 -2.434 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.405 6.379 -0.427 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.529 6.554 -2.193 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.739 5.596 -1.308 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.556 1.561 -4.452 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.965 0.989 -5.724 1.00 1.00 C ATOM 1158 C LEU A 78 -14.457 0.675 -5.709 1.00 1.00 C ATOM 1159 O LEU A 78 -15.158 0.895 -6.694 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.160 -0.287 -5.997 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.798 0.075 -6.616 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.976 0.643 -8.048 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.095 1.106 -5.720 1.00 1.00 C ATOM 0 H LEU A 78 -11.863 1.012 -3.943 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.772 1.712 -6.517 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.012 -0.840 -5.069 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.714 -0.940 -6.672 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.189 -0.826 -6.686 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -10.000 0.892 -8.465 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.460 -0.103 -8.678 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.593 1.541 -8.009 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.129 1.366 -6.153 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.712 2.002 -5.643 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.945 0.683 -4.727 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.936 0.160 -4.591 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.345 -0.179 -4.471 1.00 1.00 C ATOM 1177 C GLU A 79 -17.209 1.071 -4.592 1.00 1.00 C ATOM 1178 O GLU A 79 -18.313 1.027 -5.135 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.600 -0.850 -3.126 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.922 -2.222 -3.103 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.077 -2.857 -1.725 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.695 -2.237 -0.876 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.576 -3.954 -1.540 1.00 1.00 O ATOM 0 H GLU A 79 -14.377 -0.032 -3.759 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.608 -0.865 -5.277 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.214 -0.228 -2.318 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.672 -0.959 -2.960 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.364 -2.868 -3.862 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.865 -2.119 -3.348 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.698 2.185 -4.083 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.428 3.449 -4.135 1.00 1.00 C ATOM 1192 C LYS A 80 -17.644 3.886 -5.579 1.00 1.00 C ATOM 1193 O LYS A 80 -18.614 4.575 -5.893 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.658 4.532 -3.377 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.520 5.792 -3.276 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.796 6.841 -2.429 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.649 8.109 -2.343 1.00 1.00 C ATOM 1198 NZ LYS A 80 -18.907 7.815 -1.601 1.00 1.00 N ATOM 0 H LYS A 80 -15.785 2.241 -3.631 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.401 3.303 -3.665 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.395 4.177 -2.380 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.724 4.757 -3.892 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.721 6.189 -4.271 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.484 5.551 -2.829 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.607 6.449 -1.430 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.826 7.072 -2.869 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -17.094 8.900 -1.839 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.882 8.472 -3.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -19.327 8.705 -1.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -19.578 7.334 -2.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -18.695 7.201 -0.789 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.726 3.491 -6.455 1.00 1.00 N ATOM 1213 CA LYS A 81 -16.816 3.860 -7.862 1.00 1.00 C ATOM 1214 C LYS A 81 -18.108 3.328 -8.468 1.00 1.00 C ATOM 1215 O LYS A 81 -18.781 4.028 -9.225 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.623 3.272 -8.620 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.302 3.779 -8.022 1.00 1.00 C ATOM 1218 CD LYS A 81 -14.025 5.214 -8.478 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.667 5.666 -7.946 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.464 7.101 -8.293 1.00 1.00 N ATOM 0 H LYS A 81 -15.916 2.919 -6.217 1.00 1.00 H new ATOM 0 HA LYS A 81 -16.808 4.947 -7.942 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.656 2.183 -8.573 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -15.682 3.548 -9.673 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.349 3.739 -6.934 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -13.483 3.129 -8.329 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -14.037 5.269 -9.567 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -14.809 5.879 -8.116 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.621 5.530 -6.866 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -11.872 5.058 -8.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.541 7.418 -7.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.492 7.216 -9.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -13.218 7.673 -7.861 1.00 1.00 H new ATOM 1234 N ALA A 82 -18.453 2.092 -8.131 1.00 1.00 N ATOM 1235 CA ALA A 82 -19.673 1.486 -8.651 1.00 1.00 C ATOM 1236 C ALA A 82 -19.854 0.082 -8.080 1.00 1.00 C ATOM 1237 O ALA A 82 -19.006 -0.755 -8.338 1.00 1.00 O ATOM 1238 CB ALA A 82 -19.613 1.417 -10.179 1.00 1.00 C ATOM 1239 OXT ALA A 82 -20.841 -0.133 -7.395 1.00 1.00 O ATOM 0 H ALA A 82 -17.912 1.494 -7.506 1.00 1.00 H new ATOM 0 HA ALA A 82 -20.521 2.101 -8.351 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -20.528 0.963 -10.559 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -19.512 2.423 -10.585 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -18.756 0.815 -10.483 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 9.522 10.419 7.265 1.00 1.00 O HETATM 1247 P24 PNS A 101 9.405 11.721 8.205 1.00 1.00 P HETATM 1248 O25 PNS A 101 10.697 11.910 8.901 1.00 1.00 O HETATM 1249 O26 PNS A 101 8.831 12.824 7.400 1.00 1.00 O HETATM 1250 O27 PNS A 101 8.307 11.273 9.292 1.00 1.00 O HETATM 1251 C28 PNS A 101 8.555 11.451 10.682 1.00 1.00 C HETATM 1252 C29 PNS A 101 7.288 11.091 11.468 1.00 1.00 C HETATM 1253 C30 PNS A 101 6.150 12.029 11.081 1.00 1.00 C HETATM 1254 C31 PNS A 101 7.580 11.212 12.971 1.00 1.00 C HETATM 1255 C32 PNS A 101 6.861 9.668 11.131 1.00 1.00 C HETATM 1256 O33 PNS A 101 7.959 8.807 11.373 1.00 1.00 O HETATM 1257 C34 PNS A 101 5.679 9.250 12.004 1.00 1.00 C HETATM 1258 O35 PNS A 101 4.534 9.224 11.546 1.00 1.00 O HETATM 1259 N36 PNS A 101 5.964 8.928 13.264 1.00 1.00 N HETATM 1260 C37 PNS A 101 4.922 8.514 14.209 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.015 7.002 14.464 1.00 1.00 C HETATM 1262 C39 PNS A 101 4.264 6.233 13.382 1.00 1.00 C HETATM 1263 O40 PNS A 101 4.242 6.640 12.219 1.00 1.00 O HETATM 1264 N41 PNS A 101 3.646 5.125 13.775 1.00 1.00 N HETATM 1265 C42 PNS A 101 2.892 4.309 12.832 1.00 1.00 C HETATM 1266 C43 PNS A 101 3.850 3.642 11.821 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.582 4.318 10.184 1.00 1.00 S HETATM 0 H432 PNS A 101 4.884 3.805 12.126 1.00 1.00 H new HETATM 0 H431 PNS A 101 3.687 2.564 11.809 1.00 1.00 H new HETATM 0 H422 PNS A 101 2.166 4.927 12.303 1.00 1.00 H new HETATM 0 H421 PNS A 101 2.329 3.546 13.369 1.00 1.00 H new HETATM 0 H382 PNS A 101 4.598 6.766 15.443 1.00 1.00 H new HETATM 0 H381 PNS A 101 6.060 6.693 14.480 1.00 1.00 H new HETATM 0 H372 PNS A 101 3.938 8.764 13.811 1.00 1.00 H new HETATM 0 H371 PNS A 101 5.034 9.057 15.147 1.00 1.00 H new HETATM 0 H313 PNS A 101 6.684 10.958 13.537 1.00 1.00 H new HETATM 0 H312 PNS A 101 7.878 12.235 13.203 1.00 1.00 H new HETATM 0 H311 PNS A 101 8.386 10.530 13.241 1.00 1.00 H new HETATM 0 H303 PNS A 101 5.254 11.766 11.644 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.948 11.935 10.014 1.00 1.00 H new HETATM 0 H301 PNS A 101 6.433 13.057 11.308 1.00 1.00 H new HETATM 0 H282 PNS A 101 8.842 12.483 10.884 1.00 1.00 H new HETATM 0 H281 PNS A 101 9.386 10.821 10.999 1.00 1.00 H new HETATM 0 H41 PNS A 101 3.700 4.841 14.753 1.00 1.00 H new HETATM 0 H36 PNS A 101 6.933 8.970 13.580 1.00 1.00 H new HETATM 0 H33 PNS A 101 7.704 7.884 11.163 1.00 1.00 H new HETATM 0 H32 PNS A 101 6.555 9.611 10.086 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.026 3.992 9.482 1.00 1.00 C HETATM 1289 O1 DKA A 102 1.169 3.349 10.042 1.00 1.00 O HETATM 1290 C2 DKA A 102 1.888 4.597 8.119 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.373 3.610 7.064 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.376 4.293 5.695 1.00 1.00 C HETATM 1293 C5 DKA A 102 2.509 3.235 4.582 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.121 2.686 4.193 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.486 3.581 3.129 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.914 3.068 2.804 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.485 3.860 1.629 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.717 3.141 1.082 1.00 1.00 C HETATM 0 H103 DKA A 102 -2.436 2.143 0.745 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.470 3.061 1.866 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.125 3.705 0.244 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.751 4.867 1.950 1.00 1.00 H new HETATM 0 H91 DKA A 102 -0.733 3.963 0.846 1.00 1.00 H new HETATM 0 H82 DKA A 102 -0.876 2.007 2.557 1.00 1.00 H new HETATM 0 H81 DKA A 102 -1.562 3.170 3.675 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.434 4.609 3.487 1.00 1.00 H new HETATM 0 H71 DKA A 102 1.101 3.587 2.229 1.00 1.00 H new HETATM 0 H62 DKA A 102 1.216 1.668 3.815 1.00 1.00 H new HETATM 0 H61 DKA A 102 0.479 2.641 5.073 1.00 1.00 H new HETATM 0 H52 DKA A 102 2.991 3.675 3.709 1.00 1.00 H new HETATM 0 H51 DKA A 102 3.148 2.419 4.921 1.00 1.00 H new HETATM 0 H42 DKA A 102 1.456 4.862 5.560 1.00 1.00 H new HETATM 0 H41 DKA A 102 3.201 5.003 5.635 1.00 1.00 H new HETATM 0 H32 DKA A 102 3.375 3.260 7.311 1.00 1.00 H new HETATM 0 H31 DKA A 102 1.725 2.734 7.044 1.00 1.00 H new HETATM 0 H22 DKA A 102 0.847 4.861 7.932 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.466 5.519 8.060 1.00 1.00 H new