USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 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 51 GLN : amide:sc= 0.869 K(o=1.9,f=-5.5!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -165:sc= 0.995 (180deg=-0.0716) USER MOD Set 2.1: A 40 THR OG1 : rot 73:sc= 1.94 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0.779 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.082 USER MOD Single : A 9 GLN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0.546 (180deg=0.512) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.451) USER MOD Single : A 22 SER OG : rot 170:sc= 0.592 USER MOD Single : A 23 THR OG1 : rot -48:sc= 0.82 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 30 THR OG1 : rot 79:sc= 2.34 USER MOD Single : A 32 THR OG1 : rot 88:sc= 2.18 USER MOD Single : A 33 SER OG : rot 82:sc= 1.12 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 80:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc=-0.00167 (180deg=-0.12) USER MOD Single : A 44 ASN : amide:sc= 0.824 K(o=0.82,f=-7.2!) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 0.0755 (180deg=-0.143) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0303) USER MOD Single : A 47 GLN : amide:sc= 0.627 K(o=0.63,f=-1.3) USER MOD Single : A 48 GLN : amide:sc= 0.0259 K(o=0.026,f=-0.91) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0.592 (180deg=0.562) USER MOD Single : A 50 SER OG : rot 180:sc= 0.024 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.427 9.196 9.669 1.00 0.00 N ATOM 2 CA MET A 1 -18.554 9.977 8.808 1.00 0.00 C ATOM 3 C MET A 1 -17.288 9.163 8.528 1.00 0.00 C ATOM 4 O MET A 1 -16.982 8.851 7.378 1.00 0.00 O ATOM 5 CB MET A 1 -18.285 11.336 9.475 1.00 0.00 C ATOM 6 CG MET A 1 -17.685 12.381 8.526 1.00 0.00 C ATOM 7 SD MET A 1 -15.950 12.150 8.063 1.00 0.00 S ATOM 8 CE MET A 1 -15.708 13.606 7.023 1.00 0.00 C ATOM 0 H1 MET A 1 -20.293 9.737 9.868 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.677 8.305 9.194 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.937 8.986 10.562 1.00 0.00 H new ATOM 0 HA MET A 1 -19.014 10.189 7.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.219 11.722 9.882 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.607 11.190 10.316 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.282 12.397 7.614 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.786 13.362 8.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.684 13.621 6.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.400 13.571 6.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.894 14.506 7.608 1.00 0.00 H new ATOM 18 N ALA A 2 -16.601 8.746 9.596 1.00 0.00 N ATOM 19 CA ALA A 2 -15.480 7.815 9.516 1.00 0.00 C ATOM 20 C ALA A 2 -15.863 6.596 8.672 1.00 0.00 C ATOM 21 O ALA A 2 -15.119 6.187 7.783 1.00 0.00 O ATOM 22 CB ALA A 2 -15.052 7.399 10.925 1.00 0.00 C ATOM 0 H ALA A 2 -16.812 9.050 10.547 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.636 8.306 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.215 6.704 10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.749 8.281 11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.887 6.915 11.431 1.00 0.00 H new ATOM 28 N SER A 3 -17.056 6.048 8.917 1.00 0.00 N ATOM 29 CA SER A 3 -17.639 4.981 8.126 1.00 0.00 C ATOM 30 C SER A 3 -17.595 5.309 6.633 1.00 0.00 C ATOM 31 O SER A 3 -17.156 4.490 5.830 1.00 0.00 O ATOM 32 CB SER A 3 -19.079 4.762 8.604 1.00 0.00 C ATOM 33 OG SER A 3 -19.107 4.840 10.020 1.00 0.00 O ATOM 0 H SER A 3 -17.650 6.346 9.690 1.00 0.00 H new ATOM 0 HA SER A 3 -17.062 4.066 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.739 5.514 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.443 3.790 8.272 1.00 0.00 H new ATOM 0 HG SER A 3 -20.024 4.703 10.337 1.00 0.00 H new ATOM 39 N VAL A 4 -18.028 6.517 6.257 1.00 0.00 N ATOM 40 CA VAL A 4 -18.047 6.934 4.865 1.00 0.00 C ATOM 41 C VAL A 4 -16.616 6.987 4.333 1.00 0.00 C ATOM 42 O VAL A 4 -16.349 6.469 3.252 1.00 0.00 O ATOM 43 CB VAL A 4 -18.783 8.273 4.685 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.890 8.614 3.192 1.00 0.00 C ATOM 45 CG2 VAL A 4 -20.193 8.213 5.287 1.00 0.00 C ATOM 0 H VAL A 4 -18.371 7.223 6.909 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.605 6.202 4.282 1.00 0.00 H new ATOM 0 HB VAL A 4 -18.212 9.043 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.412 9.563 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.891 8.693 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.443 7.828 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.690 9.173 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.767 7.430 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -20.125 7.993 6.352 1.00 0.00 H new ATOM 55 N LEU A 5 -15.685 7.581 5.088 1.00 0.00 N ATOM 56 CA LEU A 5 -14.281 7.586 4.686 1.00 0.00 C ATOM 57 C LEU A 5 -13.798 6.158 4.408 1.00 0.00 C ATOM 58 O LEU A 5 -13.206 5.895 3.361 1.00 0.00 O ATOM 59 CB LEU A 5 -13.390 8.274 5.733 1.00 0.00 C ATOM 60 CG LEU A 5 -13.770 9.733 6.038 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.784 10.296 7.066 1.00 0.00 C ATOM 62 CD2 LEU A 5 -13.749 10.616 4.784 1.00 0.00 C ATOM 0 H LEU A 5 -15.878 8.058 5.969 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.202 8.165 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.431 7.700 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.357 8.246 5.386 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.789 9.739 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.043 11.331 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.833 9.703 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.773 10.255 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.024 11.636 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.748 10.612 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.460 10.229 4.054 1.00 0.00 H new ATOM 74 N GLU A 6 -14.078 5.222 5.319 1.00 0.00 N ATOM 75 CA GLU A 6 -13.724 3.824 5.121 1.00 0.00 C ATOM 76 C GLU A 6 -14.389 3.240 3.870 1.00 0.00 C ATOM 77 O GLU A 6 -13.723 2.563 3.092 1.00 0.00 O ATOM 78 CB GLU A 6 -14.040 2.998 6.375 1.00 0.00 C ATOM 79 CG GLU A 6 -13.100 3.344 7.542 1.00 0.00 C ATOM 80 CD GLU A 6 -11.630 3.050 7.236 1.00 0.00 C ATOM 81 OE1 GLU A 6 -11.380 2.073 6.495 1.00 0.00 O ATOM 82 OE2 GLU A 6 -10.779 3.811 7.742 1.00 0.00 O ATOM 0 H GLU A 6 -14.551 5.414 6.202 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.648 3.774 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.073 3.175 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.954 1.937 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.210 4.400 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.402 2.778 8.424 1.00 0.00 H new ATOM 89 N GLU A 7 -15.680 3.498 3.650 1.00 0.00 N ATOM 90 CA GLU A 7 -16.367 3.053 2.441 1.00 0.00 C ATOM 91 C GLU A 7 -15.650 3.575 1.187 1.00 0.00 C ATOM 92 O GLU A 7 -15.372 2.813 0.263 1.00 0.00 O ATOM 93 CB GLU A 7 -17.839 3.490 2.472 1.00 0.00 C ATOM 94 CG GLU A 7 -18.638 2.723 3.538 1.00 0.00 C ATOM 95 CD GLU A 7 -19.975 3.397 3.830 1.00 0.00 C ATOM 96 OE1 GLU A 7 -20.804 3.436 2.895 1.00 0.00 O ATOM 97 OE2 GLU A 7 -20.142 3.871 4.976 1.00 0.00 O ATOM 0 H GLU A 7 -16.272 4.016 4.299 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.342 1.964 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.897 4.560 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.288 3.326 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.811 1.702 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.054 2.659 4.456 1.00 0.00 H new ATOM 104 N LEU A 8 -15.328 4.871 1.153 1.00 0.00 N ATOM 105 CA LEU A 8 -14.595 5.454 0.036 1.00 0.00 C ATOM 106 C LEU A 8 -13.221 4.791 -0.121 1.00 0.00 C ATOM 107 O LEU A 8 -12.816 4.470 -1.234 1.00 0.00 O ATOM 108 CB LEU A 8 -14.473 6.976 0.195 1.00 0.00 C ATOM 109 CG LEU A 8 -15.817 7.727 0.156 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.553 9.231 0.302 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.603 7.480 -1.136 1.00 0.00 C ATOM 0 H LEU A 8 -15.566 5.534 1.890 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.158 5.264 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.977 7.192 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.831 7.362 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.423 7.349 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.500 9.771 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.053 9.422 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.919 9.570 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.540 8.036 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.013 7.813 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.816 6.416 -1.235 1.00 0.00 H new ATOM 123 N GLN A 9 -12.503 4.561 0.980 1.00 0.00 N ATOM 124 CA GLN A 9 -11.216 3.877 0.955 1.00 0.00 C ATOM 125 C GLN A 9 -11.356 2.459 0.382 1.00 0.00 C ATOM 126 O GLN A 9 -10.538 2.023 -0.425 1.00 0.00 O ATOM 127 CB GLN A 9 -10.621 3.876 2.368 1.00 0.00 C ATOM 128 CG GLN A 9 -9.190 3.325 2.393 1.00 0.00 C ATOM 129 CD GLN A 9 -8.548 3.520 3.761 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.500 4.147 3.878 1.00 0.00 O ATOM 131 NE2 GLN A 9 -9.172 2.999 4.812 1.00 0.00 N ATOM 0 H GLN A 9 -12.801 4.845 1.913 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.531 4.408 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.624 4.892 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.251 3.277 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.201 2.264 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.591 3.826 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.042 2.482 4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.781 3.116 5.747 1.00 0.00 H new ATOM 140 N LYS A 10 -12.392 1.730 0.791 1.00 0.00 N ATOM 141 CA LYS A 10 -12.694 0.414 0.251 1.00 0.00 C ATOM 142 C LYS A 10 -12.934 0.522 -1.261 1.00 0.00 C ATOM 143 O LYS A 10 -12.327 -0.205 -2.045 1.00 0.00 O ATOM 144 CB LYS A 10 -13.871 -0.186 1.038 1.00 0.00 C ATOM 145 CG LYS A 10 -14.355 -1.559 0.554 1.00 0.00 C ATOM 146 CD LYS A 10 -13.216 -2.574 0.405 1.00 0.00 C ATOM 147 CE LYS A 10 -13.784 -3.968 0.123 1.00 0.00 C ATOM 148 NZ LYS A 10 -12.730 -4.888 -0.339 1.00 0.00 N ATOM 0 H LYS A 10 -13.046 2.040 1.510 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.856 -0.273 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.580 -0.271 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.708 0.511 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.092 -1.948 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.860 -1.443 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.554 -2.272 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.616 -2.595 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.247 -4.365 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.567 -3.899 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.111 -5.854 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.400 -4.593 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.933 -4.867 0.329 1.00 0.00 H new ATOM 162 N ASP A 11 -13.770 1.470 -1.690 1.00 0.00 N ATOM 163 CA ASP A 11 -13.999 1.712 -3.112 1.00 0.00 C ATOM 164 C ASP A 11 -12.671 1.978 -3.840 1.00 0.00 C ATOM 165 O ASP A 11 -12.382 1.374 -4.873 1.00 0.00 O ATOM 166 CB ASP A 11 -15.002 2.861 -3.279 1.00 0.00 C ATOM 167 CG ASP A 11 -15.496 3.014 -4.714 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.741 1.969 -5.356 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.655 4.180 -5.132 1.00 0.00 O ATOM 0 H ASP A 11 -14.300 2.083 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.430 0.823 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.855 2.690 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.536 3.793 -2.959 1.00 0.00 H new ATOM 174 N LEU A 12 -11.825 2.840 -3.267 1.00 0.00 N ATOM 175 CA LEU A 12 -10.483 3.105 -3.758 1.00 0.00 C ATOM 176 C LEU A 12 -9.709 1.790 -3.924 1.00 0.00 C ATOM 177 O LEU A 12 -9.100 1.556 -4.969 1.00 0.00 O ATOM 178 CB LEU A 12 -9.747 4.079 -2.836 1.00 0.00 C ATOM 179 CG LEU A 12 -8.474 4.617 -3.510 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.764 5.897 -4.302 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.423 4.874 -2.432 1.00 0.00 C ATOM 0 H LEU A 12 -12.065 3.379 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.556 3.578 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.405 4.909 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.486 3.577 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.102 3.878 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.845 6.253 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.504 5.687 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.150 6.662 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.513 5.256 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.804 5.607 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.201 3.943 -1.911 1.00 0.00 H new ATOM 193 N GLU A 13 -9.735 0.928 -2.899 1.00 0.00 N ATOM 194 CA GLU A 13 -9.119 -0.391 -2.959 1.00 0.00 C ATOM 195 C GLU A 13 -9.617 -1.146 -4.196 1.00 0.00 C ATOM 196 O GLU A 13 -8.813 -1.652 -4.979 1.00 0.00 O ATOM 197 CB GLU A 13 -9.343 -1.179 -1.657 1.00 0.00 C ATOM 198 CG GLU A 13 -8.470 -2.441 -1.575 1.00 0.00 C ATOM 199 CD GLU A 13 -6.974 -2.136 -1.596 1.00 0.00 C ATOM 200 OE1 GLU A 13 -6.565 -1.225 -0.845 1.00 0.00 O ATOM 201 OE2 GLU A 13 -6.266 -2.812 -2.373 1.00 0.00 O ATOM 0 H GLU A 13 -10.186 1.132 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.040 -0.271 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.126 -0.535 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.393 -1.462 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.711 -2.984 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.713 -3.098 -2.410 1.00 0.00 H new ATOM 208 N GLU A 14 -10.938 -1.189 -4.400 1.00 0.00 N ATOM 209 CA GLU A 14 -11.494 -1.808 -5.597 1.00 0.00 C ATOM 210 C GLU A 14 -10.899 -1.203 -6.871 1.00 0.00 C ATOM 211 O GLU A 14 -10.451 -1.960 -7.732 1.00 0.00 O ATOM 212 CB GLU A 14 -13.030 -1.771 -5.628 1.00 0.00 C ATOM 213 CG GLU A 14 -13.661 -2.940 -4.861 1.00 0.00 C ATOM 214 CD GLU A 14 -13.452 -2.837 -3.357 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.325 -2.215 -2.717 1.00 0.00 O ATOM 216 OE2 GLU A 14 -12.446 -3.402 -2.875 1.00 0.00 O ATOM 0 H GLU A 14 -11.631 -0.806 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.208 -2.859 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.376 -0.830 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.370 -1.794 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.730 -2.974 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.235 -3.877 -5.220 1.00 0.00 H new ATOM 223 N VAL A 15 -10.882 0.129 -7.031 1.00 0.00 N ATOM 224 CA VAL A 15 -10.367 0.667 -8.292 1.00 0.00 C ATOM 225 C VAL A 15 -8.886 0.351 -8.461 1.00 0.00 C ATOM 226 O VAL A 15 -8.497 -0.055 -9.552 1.00 0.00 O ATOM 227 CB VAL A 15 -10.713 2.140 -8.568 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.319 3.082 -7.437 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.073 2.634 -9.874 1.00 0.00 C ATOM 0 H VAL A 15 -11.199 0.816 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.911 0.141 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.799 2.162 -8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.593 4.103 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.839 2.792 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.243 3.026 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.339 3.678 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.989 2.542 -9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.436 2.033 -10.707 1.00 0.00 H new ATOM 239 N LYS A 16 -8.047 0.495 -7.427 1.00 0.00 N ATOM 240 CA LYS A 16 -6.636 0.152 -7.621 1.00 0.00 C ATOM 241 C LYS A 16 -6.474 -1.333 -7.991 1.00 0.00 C ATOM 242 O LYS A 16 -5.732 -1.667 -8.914 1.00 0.00 O ATOM 243 CB LYS A 16 -5.739 0.620 -6.464 1.00 0.00 C ATOM 244 CG LYS A 16 -5.996 -0.119 -5.150 1.00 0.00 C ATOM 245 CD LYS A 16 -5.124 0.387 -3.993 1.00 0.00 C ATOM 246 CE LYS A 16 -5.550 1.779 -3.510 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.835 2.153 -2.277 1.00 0.00 N ATOM 0 H LYS A 16 -8.302 0.828 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.272 0.719 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.695 0.486 -6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.892 1.688 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.046 -0.011 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.812 -1.183 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.181 -0.317 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.082 0.419 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.349 2.515 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.625 1.792 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.141 3.099 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.047 1.462 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.811 2.163 -2.459 1.00 0.00 H new ATOM 261 N VAL A 17 -7.202 -2.228 -7.313 1.00 0.00 N ATOM 262 CA VAL A 17 -7.189 -3.651 -7.635 1.00 0.00 C ATOM 263 C VAL A 17 -7.576 -3.874 -9.104 1.00 0.00 C ATOM 264 O VAL A 17 -6.844 -4.525 -9.852 1.00 0.00 O ATOM 265 CB VAL A 17 -8.101 -4.409 -6.650 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.426 -5.832 -7.119 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.418 -4.502 -5.277 1.00 0.00 C ATOM 0 H VAL A 17 -7.811 -1.984 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.182 -4.051 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.033 -3.847 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.071 -6.318 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.936 -5.790 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.502 -6.401 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.066 -5.038 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.472 -5.035 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.230 -3.498 -4.895 1.00 0.00 H new ATOM 277 N LEU A 18 -8.722 -3.333 -9.527 1.00 0.00 N ATOM 278 CA LEU A 18 -9.201 -3.479 -10.896 1.00 0.00 C ATOM 279 C LEU A 18 -8.205 -2.886 -11.894 1.00 0.00 C ATOM 280 O LEU A 18 -7.959 -3.490 -12.935 1.00 0.00 O ATOM 281 CB LEU A 18 -10.583 -2.832 -11.048 1.00 0.00 C ATOM 282 CG LEU A 18 -11.685 -3.606 -10.301 1.00 0.00 C ATOM 283 CD1 LEU A 18 -12.931 -2.725 -10.187 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.056 -4.907 -11.025 1.00 0.00 C ATOM 0 H LEU A 18 -9.339 -2.784 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.293 -4.543 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.544 -1.809 -10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.838 -2.774 -12.106 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.304 -3.864 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.714 -3.269 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.685 -1.817 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.282 -2.461 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.836 -5.424 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.419 -4.675 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.177 -5.547 -11.097 1.00 0.00 H new ATOM 296 N LEU A 19 -7.635 -1.722 -11.573 1.00 0.00 N ATOM 297 CA LEU A 19 -6.627 -1.045 -12.376 1.00 0.00 C ATOM 298 C LEU A 19 -5.438 -1.974 -12.619 1.00 0.00 C ATOM 299 O LEU A 19 -5.031 -2.170 -13.762 1.00 0.00 O ATOM 300 CB LEU A 19 -6.240 0.280 -11.700 1.00 0.00 C ATOM 301 CG LEU A 19 -5.105 1.045 -12.404 1.00 0.00 C ATOM 302 CD1 LEU A 19 -5.452 2.536 -12.498 1.00 0.00 C ATOM 303 CD2 LEU A 19 -3.790 0.887 -11.633 1.00 0.00 C ATOM 0 H LEU A 19 -7.873 -1.214 -10.721 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.026 -0.796 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.120 0.921 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.941 0.076 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.987 0.631 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.642 3.067 -12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.373 2.660 -13.068 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.588 2.942 -11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.999 1.435 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.910 1.282 -10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.524 -0.169 -11.580 1.00 0.00 H new ATOM 315 N GLU A 20 -4.896 -2.564 -11.550 1.00 0.00 N ATOM 316 CA GLU A 20 -3.808 -3.524 -11.668 1.00 0.00 C ATOM 317 C GLU A 20 -4.234 -4.729 -12.518 1.00 0.00 C ATOM 318 O GLU A 20 -3.537 -5.102 -13.459 1.00 0.00 O ATOM 319 CB GLU A 20 -3.343 -3.963 -10.271 1.00 0.00 C ATOM 320 CG GLU A 20 -2.665 -2.828 -9.485 1.00 0.00 C ATOM 321 CD GLU A 20 -1.321 -2.421 -10.084 1.00 0.00 C ATOM 322 OE1 GLU A 20 -0.458 -3.317 -10.198 1.00 0.00 O ATOM 323 OE2 GLU A 20 -1.180 -1.223 -10.413 1.00 0.00 O ATOM 0 H GLU A 20 -5.198 -2.389 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.969 -3.046 -12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.200 -4.329 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.647 -4.796 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.326 -1.961 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.518 -3.144 -8.452 1.00 0.00 H new ATOM 330 N LYS A 21 -5.355 -5.363 -12.164 1.00 0.00 N ATOM 331 CA LYS A 21 -5.775 -6.610 -12.791 1.00 0.00 C ATOM 332 C LYS A 21 -6.312 -6.393 -14.211 1.00 0.00 C ATOM 333 O LYS A 21 -5.704 -6.809 -15.195 1.00 0.00 O ATOM 334 CB LYS A 21 -6.822 -7.306 -11.908 1.00 0.00 C ATOM 335 CG LYS A 21 -6.194 -7.845 -10.619 1.00 0.00 C ATOM 336 CD LYS A 21 -7.274 -8.488 -9.739 1.00 0.00 C ATOM 337 CE LYS A 21 -6.664 -9.357 -8.630 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.696 -8.616 -7.800 1.00 0.00 N ATOM 0 H LYS A 21 -5.990 -5.026 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.899 -7.251 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.618 -6.603 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.281 -8.125 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.424 -8.578 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.705 -7.036 -10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.890 -7.708 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.932 -9.098 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.462 -9.743 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.169 -10.218 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.837 -8.862 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.729 -8.869 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.839 -7.594 -7.929 1.00 0.00 H new ATOM 352 N SER A 22 -7.490 -5.782 -14.327 1.00 0.00 N ATOM 353 CA SER A 22 -8.191 -5.635 -15.590 1.00 0.00 C ATOM 354 C SER A 22 -7.627 -4.444 -16.356 1.00 0.00 C ATOM 355 O SER A 22 -8.350 -3.483 -16.607 1.00 0.00 O ATOM 356 CB SER A 22 -9.696 -5.482 -15.332 1.00 0.00 C ATOM 357 OG SER A 22 -10.285 -6.757 -15.149 1.00 0.00 O ATOM 0 H SER A 22 -7.985 -5.373 -13.535 1.00 0.00 H new ATOM 0 HA SER A 22 -8.045 -6.525 -16.201 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.862 -4.865 -14.449 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.168 -4.971 -16.171 1.00 0.00 H new ATOM 0 HG SER A 22 -11.204 -6.649 -14.827 1.00 0.00 H new ATOM 363 N THR A 23 -6.360 -4.534 -16.771 1.00 0.00 N ATOM 364 CA THR A 23 -5.620 -3.476 -17.460 1.00 0.00 C ATOM 365 C THR A 23 -6.064 -3.265 -18.919 1.00 0.00 C ATOM 366 O THR A 23 -5.234 -3.076 -19.809 1.00 0.00 O ATOM 367 CB THR A 23 -4.106 -3.710 -17.282 1.00 0.00 C ATOM 368 OG1 THR A 23 -3.369 -2.688 -17.918 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.631 -5.065 -17.823 1.00 0.00 C ATOM 0 H THR A 23 -5.803 -5.377 -16.631 1.00 0.00 H new ATOM 0 HA THR A 23 -5.863 -2.522 -16.992 1.00 0.00 H new ATOM 0 HB THR A 23 -3.930 -3.701 -16.206 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.714 -2.552 -18.825 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.557 -5.163 -17.665 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.150 -5.868 -17.299 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.848 -5.127 -18.889 1.00 0.00 H new ATOM 377 N ARG A 24 -7.374 -3.276 -19.163 1.00 0.00 N ATOM 378 CA ARG A 24 -8.003 -2.892 -20.413 1.00 0.00 C ATOM 379 C ARG A 24 -8.316 -1.390 -20.355 1.00 0.00 C ATOM 380 O ARG A 24 -8.095 -0.735 -19.334 1.00 0.00 O ATOM 381 CB ARG A 24 -9.274 -3.736 -20.611 1.00 0.00 C ATOM 382 CG ARG A 24 -8.980 -5.244 -20.537 1.00 0.00 C ATOM 383 CD ARG A 24 -10.253 -6.083 -20.721 1.00 0.00 C ATOM 384 NE ARG A 24 -11.265 -5.814 -19.686 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.241 -6.274 -18.425 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.216 -7.001 -17.971 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.252 -5.999 -17.596 1.00 0.00 N ATOM 0 H ARG A 24 -8.051 -3.567 -18.458 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.345 -3.074 -21.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.007 -3.472 -19.849 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.719 -3.500 -21.578 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.255 -5.511 -21.305 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.526 -5.479 -19.574 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.680 -5.878 -21.703 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.992 -7.141 -20.702 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.055 -5.226 -19.951 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.431 -7.216 -18.586 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.218 -7.341 -17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.041 -5.440 -17.921 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.235 -6.348 -16.638 1.00 0.00 H new ATOM 401 N LYS A 25 -8.913 -0.848 -21.422 1.00 0.00 N ATOM 402 CA LYS A 25 -9.352 0.546 -21.483 1.00 0.00 C ATOM 403 C LYS A 25 -10.184 0.963 -20.266 1.00 0.00 C ATOM 404 O LYS A 25 -10.158 2.133 -19.882 1.00 0.00 O ATOM 405 CB LYS A 25 -10.159 0.785 -22.766 1.00 0.00 C ATOM 406 CG LYS A 25 -9.240 0.879 -23.985 1.00 0.00 C ATOM 407 CD LYS A 25 -10.075 1.062 -25.259 1.00 0.00 C ATOM 408 CE LYS A 25 -9.195 1.286 -26.495 1.00 0.00 C ATOM 409 NZ LYS A 25 -8.342 0.122 -26.789 1.00 0.00 N ATOM 0 H LYS A 25 -9.106 -1.372 -22.275 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.452 1.161 -21.483 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.873 -0.027 -22.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.736 1.705 -22.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.552 1.716 -23.868 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.634 -0.023 -24.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.699 0.182 -25.413 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.747 1.911 -25.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.829 1.497 -27.357 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.568 2.164 -26.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.815 0.291 -27.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.672 -0.024 -26.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.936 -0.725 -26.898 1.00 0.00 H new ATOM 423 N ARG A 26 -10.905 0.014 -19.655 1.00 0.00 N ATOM 424 CA ARG A 26 -11.784 0.296 -18.531 1.00 0.00 C ATOM 425 C ARG A 26 -11.073 1.041 -17.400 1.00 0.00 C ATOM 426 O ARG A 26 -11.744 1.742 -16.647 1.00 0.00 O ATOM 427 CB ARG A 26 -12.541 -0.957 -18.064 1.00 0.00 C ATOM 428 CG ARG A 26 -11.702 -2.109 -17.480 1.00 0.00 C ATOM 429 CD ARG A 26 -11.185 -1.878 -16.055 1.00 0.00 C ATOM 430 NE ARG A 26 -12.215 -1.335 -15.167 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.163 -2.030 -14.526 1.00 0.00 C ATOM 432 NH1 ARG A 26 -13.193 -3.367 -14.574 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.087 -1.349 -13.846 1.00 0.00 N ATOM 0 H ARG A 26 -10.890 -0.968 -19.932 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.547 0.987 -18.889 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.267 -0.652 -17.310 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.106 -1.346 -18.911 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.304 -3.017 -17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.849 -2.286 -18.135 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.818 -2.820 -15.648 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.338 -1.193 -16.086 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.210 -0.325 -15.022 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.486 -3.874 -15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.923 -3.879 -14.079 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.057 -0.330 -13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.823 -1.848 -13.346 1.00 0.00 H new ATOM 447 N LEU A 27 -9.740 0.933 -17.296 1.00 0.00 N ATOM 448 CA LEU A 27 -8.937 1.756 -16.402 1.00 0.00 C ATOM 449 C LEU A 27 -9.325 3.224 -16.522 1.00 0.00 C ATOM 450 O LEU A 27 -9.608 3.856 -15.510 1.00 0.00 O ATOM 451 CB LEU A 27 -7.441 1.600 -16.717 1.00 0.00 C ATOM 452 CG LEU A 27 -6.744 0.513 -15.895 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.538 -0.789 -15.867 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.339 0.273 -16.458 1.00 0.00 C ATOM 0 H LEU A 27 -9.192 0.264 -17.838 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.127 1.419 -15.383 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.325 1.371 -17.776 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.941 2.552 -16.540 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.675 0.862 -14.865 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.003 -1.529 -15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.518 -0.608 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.661 -1.162 -16.884 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.840 -0.501 -15.874 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.413 -0.048 -17.497 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.763 1.197 -16.404 1.00 0.00 H new ATOM 466 N ARG A 28 -9.333 3.776 -17.740 1.00 0.00 N ATOM 467 CA ARG A 28 -9.579 5.197 -17.931 1.00 0.00 C ATOM 468 C ARG A 28 -10.966 5.540 -17.401 1.00 0.00 C ATOM 469 O ARG A 28 -11.107 6.379 -16.511 1.00 0.00 O ATOM 470 CB ARG A 28 -9.420 5.567 -19.412 1.00 0.00 C ATOM 471 CG ARG A 28 -9.665 7.056 -19.710 1.00 0.00 C ATOM 472 CD ARG A 28 -8.722 7.989 -18.936 1.00 0.00 C ATOM 473 NE ARG A 28 -8.564 9.273 -19.636 1.00 0.00 N ATOM 474 CZ ARG A 28 -9.169 10.442 -19.369 1.00 0.00 C ATOM 475 NH1 ARG A 28 -10.027 10.587 -18.353 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.900 11.495 -20.148 1.00 0.00 N ATOM 0 H ARG A 28 -9.172 3.256 -18.603 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.848 5.783 -17.374 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.414 5.302 -19.737 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.114 4.969 -20.003 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.543 7.231 -20.779 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.697 7.305 -19.462 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.116 8.162 -17.935 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.749 7.513 -18.817 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.914 9.276 -20.422 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.241 9.793 -17.749 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.467 11.491 -18.182 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.247 11.400 -20.926 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.348 12.393 -19.964 1.00 0.00 H new ATOM 490 N ASP A 29 -11.986 4.873 -17.947 1.00 0.00 N ATOM 491 CA ASP A 29 -13.381 5.106 -17.590 1.00 0.00 C ATOM 492 C ASP A 29 -13.569 5.008 -16.076 1.00 0.00 C ATOM 493 O ASP A 29 -14.059 5.941 -15.435 1.00 0.00 O ATOM 494 CB ASP A 29 -14.284 4.092 -18.308 1.00 0.00 C ATOM 495 CG ASP A 29 -14.092 4.120 -19.820 1.00 0.00 C ATOM 496 OD1 ASP A 29 -13.056 3.573 -20.261 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.975 4.684 -20.501 1.00 0.00 O ATOM 0 H ASP A 29 -11.862 4.150 -18.656 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.660 6.111 -17.906 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.071 3.090 -17.935 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.327 4.305 -18.072 1.00 0.00 H new ATOM 502 N THR A 30 -13.167 3.861 -15.521 1.00 0.00 N ATOM 503 CA THR A 30 -13.319 3.528 -14.117 1.00 0.00 C ATOM 504 C THR A 30 -12.601 4.564 -13.260 1.00 0.00 C ATOM 505 O THR A 30 -13.223 5.160 -12.383 1.00 0.00 O ATOM 506 CB THR A 30 -12.805 2.103 -13.859 1.00 0.00 C ATOM 507 OG1 THR A 30 -13.514 1.205 -14.684 1.00 0.00 O ATOM 508 CG2 THR A 30 -13.001 1.659 -12.410 1.00 0.00 C ATOM 0 H THR A 30 -12.714 3.122 -16.059 1.00 0.00 H new ATOM 0 HA THR A 30 -14.373 3.549 -13.842 1.00 0.00 H new ATOM 0 HB THR A 30 -11.737 2.103 -14.075 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.147 1.235 -15.592 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.620 0.645 -12.285 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.460 2.334 -11.746 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.062 1.681 -12.163 1.00 0.00 H new ATOM 516 N LEU A 31 -11.309 4.794 -13.513 1.00 0.00 N ATOM 517 CA LEU A 31 -10.511 5.737 -12.746 1.00 0.00 C ATOM 518 C LEU A 31 -11.186 7.100 -12.773 1.00 0.00 C ATOM 519 O LEU A 31 -11.500 7.641 -11.718 1.00 0.00 O ATOM 520 CB LEU A 31 -9.072 5.772 -13.288 1.00 0.00 C ATOM 521 CG LEU A 31 -8.049 6.610 -12.500 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.204 8.124 -12.696 1.00 0.00 C ATOM 523 CD2 LEU A 31 -8.029 6.262 -11.009 1.00 0.00 C ATOM 0 H LEU A 31 -10.792 4.327 -14.258 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.445 5.423 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.704 4.747 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.104 6.150 -14.310 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.085 6.335 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.448 8.646 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.078 8.369 -13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.196 8.434 -12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.290 6.882 -10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.014 6.445 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.768 5.211 -10.884 1.00 0.00 H new ATOM 535 N THR A 32 -11.436 7.646 -13.965 1.00 0.00 N ATOM 536 CA THR A 32 -12.005 8.980 -14.103 1.00 0.00 C ATOM 537 C THR A 32 -13.314 9.083 -13.313 1.00 0.00 C ATOM 538 O THR A 32 -13.460 9.941 -12.438 1.00 0.00 O ATOM 539 CB THR A 32 -12.200 9.320 -15.592 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.996 9.090 -16.298 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.591 10.787 -15.788 1.00 0.00 C ATOM 0 H THR A 32 -11.250 7.178 -14.852 1.00 0.00 H new ATOM 0 HA THR A 32 -11.315 9.714 -13.686 1.00 0.00 H new ATOM 0 HB THR A 32 -13.000 8.683 -15.969 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.964 8.156 -16.594 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.720 10.990 -16.851 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.526 10.988 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.806 11.429 -15.389 1.00 0.00 H new ATOM 549 N SER A 33 -14.267 8.197 -13.617 1.00 0.00 N ATOM 550 CA SER A 33 -15.594 8.250 -13.029 1.00 0.00 C ATOM 551 C SER A 33 -15.521 8.080 -11.511 1.00 0.00 C ATOM 552 O SER A 33 -16.063 8.888 -10.754 1.00 0.00 O ATOM 553 CB SER A 33 -16.482 7.174 -13.669 1.00 0.00 C ATOM 554 OG SER A 33 -16.442 7.284 -15.079 1.00 0.00 O ATOM 0 H SER A 33 -14.134 7.429 -14.275 1.00 0.00 H new ATOM 0 HA SER A 33 -16.035 9.227 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.143 6.184 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.508 7.282 -13.317 1.00 0.00 H new ATOM 0 HG SER A 33 -15.640 6.836 -15.419 1.00 0.00 H new ATOM 560 N GLU A 34 -14.855 7.015 -11.065 1.00 0.00 N ATOM 561 CA GLU A 34 -14.834 6.650 -9.663 1.00 0.00 C ATOM 562 C GLU A 34 -14.052 7.683 -8.852 1.00 0.00 C ATOM 563 O GLU A 34 -14.516 8.094 -7.794 1.00 0.00 O ATOM 564 CB GLU A 34 -14.293 5.226 -9.495 1.00 0.00 C ATOM 565 CG GLU A 34 -14.738 4.655 -8.145 1.00 0.00 C ATOM 566 CD GLU A 34 -14.177 3.259 -7.923 1.00 0.00 C ATOM 567 OE1 GLU A 34 -14.518 2.370 -8.733 1.00 0.00 O ATOM 568 OE2 GLU A 34 -13.396 3.117 -6.960 1.00 0.00 O ATOM 0 H GLU A 34 -14.320 6.389 -11.667 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.851 6.652 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.655 4.592 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.205 5.231 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.407 5.314 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.827 4.623 -8.103 1.00 0.00 H new ATOM 575 N LYS A 35 -12.895 8.133 -9.345 1.00 0.00 N ATOM 576 CA LYS A 35 -12.136 9.204 -8.706 1.00 0.00 C ATOM 577 C LYS A 35 -13.038 10.424 -8.519 1.00 0.00 C ATOM 578 O LYS A 35 -13.140 10.960 -7.416 1.00 0.00 O ATOM 579 CB LYS A 35 -10.896 9.539 -9.549 1.00 0.00 C ATOM 580 CG LYS A 35 -9.976 10.559 -8.867 1.00 0.00 C ATOM 581 CD LYS A 35 -8.703 10.827 -9.682 1.00 0.00 C ATOM 582 CE LYS A 35 -8.995 11.555 -11.000 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.751 11.875 -11.722 1.00 0.00 N ATOM 0 H LYS A 35 -12.463 7.766 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.792 8.883 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.336 8.624 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.213 9.931 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.517 11.494 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.702 10.194 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.012 11.423 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.205 9.881 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.633 10.933 -11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.546 12.473 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.981 12.367 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.154 12.488 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.238 10.996 -11.937 1.00 0.00 H new ATOM 597 N SER A 36 -13.716 10.847 -9.592 1.00 0.00 N ATOM 598 CA SER A 36 -14.638 11.971 -9.518 1.00 0.00 C ATOM 599 C SER A 36 -15.673 11.752 -8.410 1.00 0.00 C ATOM 600 O SER A 36 -15.820 12.607 -7.539 1.00 0.00 O ATOM 601 CB SER A 36 -15.298 12.230 -10.876 1.00 0.00 C ATOM 602 OG SER A 36 -14.307 12.492 -11.849 1.00 0.00 O ATOM 0 H SER A 36 -13.639 10.425 -10.517 1.00 0.00 H new ATOM 0 HA SER A 36 -14.071 12.866 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.892 11.365 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.981 13.076 -10.803 1.00 0.00 H new ATOM 0 HG SER A 36 -13.913 11.647 -12.150 1.00 0.00 H new ATOM 608 N LYS A 37 -16.379 10.615 -8.426 1.00 0.00 N ATOM 609 CA LYS A 37 -17.353 10.287 -7.391 1.00 0.00 C ATOM 610 C LYS A 37 -16.731 10.366 -5.992 1.00 0.00 C ATOM 611 O LYS A 37 -17.259 11.064 -5.128 1.00 0.00 O ATOM 612 CB LYS A 37 -17.964 8.901 -7.646 1.00 0.00 C ATOM 613 CG LYS A 37 -18.879 8.853 -8.878 1.00 0.00 C ATOM 614 CD LYS A 37 -20.225 9.551 -8.627 1.00 0.00 C ATOM 615 CE LYS A 37 -21.157 9.359 -9.828 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.458 10.014 -9.605 1.00 0.00 N ATOM 0 H LYS A 37 -16.289 9.905 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.152 11.027 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.160 8.176 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.534 8.597 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.377 9.328 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.056 7.814 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.690 9.146 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.063 10.614 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.690 9.769 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.309 8.295 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.067 9.867 -10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.913 9.605 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.313 11.033 -9.458 1.00 0.00 H new ATOM 630 N ILE A 38 -15.618 9.662 -5.764 1.00 0.00 N ATOM 631 CA ILE A 38 -14.929 9.633 -4.480 1.00 0.00 C ATOM 632 C ILE A 38 -14.656 11.061 -4.006 1.00 0.00 C ATOM 633 O ILE A 38 -15.079 11.431 -2.913 1.00 0.00 O ATOM 634 CB ILE A 38 -13.651 8.768 -4.558 1.00 0.00 C ATOM 635 CG1 ILE A 38 -14.028 7.277 -4.682 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.773 8.969 -3.311 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.843 6.391 -5.082 1.00 0.00 C ATOM 0 H ILE A 38 -15.168 9.090 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.568 9.160 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.087 9.079 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.430 6.929 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.821 7.169 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.880 8.349 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.482 10.017 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.334 8.684 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.172 5.354 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.456 6.716 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.058 6.472 -4.330 1.00 0.00 H new ATOM 649 N GLU A 39 -13.976 11.870 -4.824 1.00 0.00 N ATOM 650 CA GLU A 39 -13.674 13.253 -4.472 1.00 0.00 C ATOM 651 C GLU A 39 -14.954 14.048 -4.198 1.00 0.00 C ATOM 652 O GLU A 39 -15.028 14.772 -3.208 1.00 0.00 O ATOM 653 CB GLU A 39 -12.816 13.907 -5.567 1.00 0.00 C ATOM 654 CG GLU A 39 -11.313 13.768 -5.277 1.00 0.00 C ATOM 655 CD GLU A 39 -10.872 12.335 -4.994 1.00 0.00 C ATOM 656 OE1 GLU A 39 -10.586 11.619 -5.976 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.814 11.984 -3.795 1.00 0.00 O ATOM 0 H GLU A 39 -13.624 11.585 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.096 13.257 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.044 13.448 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.074 14.963 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.751 14.150 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.058 14.393 -4.421 1.00 0.00 H new ATOM 664 N THR A 40 -15.965 13.910 -5.058 1.00 0.00 N ATOM 665 CA THR A 40 -17.241 14.594 -4.894 1.00 0.00 C ATOM 666 C THR A 40 -17.839 14.283 -3.519 1.00 0.00 C ATOM 667 O THR A 40 -18.154 15.197 -2.761 1.00 0.00 O ATOM 668 CB THR A 40 -18.186 14.224 -6.047 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.603 14.624 -7.271 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.552 14.901 -5.931 1.00 0.00 C ATOM 0 H THR A 40 -15.918 13.319 -5.888 1.00 0.00 H new ATOM 0 HA THR A 40 -17.088 15.672 -4.935 1.00 0.00 H new ATOM 0 HB THR A 40 -18.336 13.145 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.855 14.029 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.178 14.603 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.029 14.600 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.424 15.983 -5.939 1.00 0.00 H new ATOM 678 N GLU A 41 -17.982 12.999 -3.183 1.00 0.00 N ATOM 679 CA GLU A 41 -18.545 12.584 -1.908 1.00 0.00 C ATOM 680 C GLU A 41 -17.675 13.073 -0.752 1.00 0.00 C ATOM 681 O GLU A 41 -18.182 13.698 0.179 1.00 0.00 O ATOM 682 CB GLU A 41 -18.714 11.059 -1.880 1.00 0.00 C ATOM 683 CG GLU A 41 -19.764 10.580 -2.892 1.00 0.00 C ATOM 684 CD GLU A 41 -21.148 11.155 -2.607 1.00 0.00 C ATOM 685 OE1 GLU A 41 -21.786 10.648 -1.660 1.00 0.00 O ATOM 686 OE2 GLU A 41 -21.528 12.107 -3.323 1.00 0.00 O ATOM 0 H GLU A 41 -17.710 12.225 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.530 13.036 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.757 10.584 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.006 10.745 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.454 10.867 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.814 9.491 -2.872 1.00 0.00 H new ATOM 693 N LEU A 42 -16.370 12.790 -0.814 1.00 0.00 N ATOM 694 CA LEU A 42 -15.403 13.199 0.193 1.00 0.00 C ATOM 695 C LEU A 42 -15.559 14.689 0.499 1.00 0.00 C ATOM 696 O LEU A 42 -15.703 15.069 1.659 1.00 0.00 O ATOM 697 CB LEU A 42 -13.990 12.850 -0.300 1.00 0.00 C ATOM 698 CG LEU A 42 -12.853 13.285 0.638 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.989 12.660 2.031 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.513 12.871 0.020 1.00 0.00 C ATOM 0 H LEU A 42 -15.955 12.261 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.578 12.664 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.928 11.772 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.836 13.314 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.905 14.367 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.165 12.994 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.935 12.967 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.964 11.574 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.699 13.175 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.490 11.789 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.395 13.354 -0.950 1.00 0.00 H new ATOM 712 N LYS A 43 -15.561 15.527 -0.542 1.00 0.00 N ATOM 713 CA LYS A 43 -15.796 16.954 -0.403 1.00 0.00 C ATOM 714 C LYS A 43 -17.163 17.205 0.235 1.00 0.00 C ATOM 715 O LYS A 43 -17.244 17.901 1.242 1.00 0.00 O ATOM 716 CB LYS A 43 -15.655 17.644 -1.768 1.00 0.00 C ATOM 717 CG LYS A 43 -15.939 19.154 -1.743 1.00 0.00 C ATOM 718 CD LYS A 43 -15.074 19.901 -0.717 1.00 0.00 C ATOM 719 CE LYS A 43 -15.235 21.421 -0.835 1.00 0.00 C ATOM 720 NZ LYS A 43 -14.660 21.949 -2.085 1.00 0.00 N ATOM 0 H LYS A 43 -15.399 15.227 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.047 17.386 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.644 17.482 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.336 17.169 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.761 19.570 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.992 19.318 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.348 19.584 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.027 19.634 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.294 21.677 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.753 21.902 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.623 22.987 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.698 21.574 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.252 21.659 -2.889 1.00 0.00 H new ATOM 734 N ASN A 44 -18.239 16.664 -0.347 1.00 0.00 N ATOM 735 CA ASN A 44 -19.610 16.844 0.136 1.00 0.00 C ATOM 736 C ASN A 44 -19.683 16.667 1.649 1.00 0.00 C ATOM 737 O ASN A 44 -20.131 17.570 2.353 1.00 0.00 O ATOM 738 CB ASN A 44 -20.567 15.902 -0.614 1.00 0.00 C ATOM 739 CG ASN A 44 -22.028 16.332 -0.494 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.495 16.725 0.567 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.772 16.292 -1.592 1.00 0.00 N ATOM 0 H ASN A 44 -18.179 16.079 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 44 -19.929 17.865 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.287 15.869 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.456 14.891 -0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.747 16.591 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.369 15.962 -2.469 1.00 0.00 H new ATOM 748 N LYS A 45 -19.176 15.548 2.170 1.00 0.00 N ATOM 749 CA LYS A 45 -19.242 15.292 3.603 1.00 0.00 C ATOM 750 C LYS A 45 -18.600 16.390 4.465 1.00 0.00 C ATOM 751 O LYS A 45 -19.012 16.547 5.613 1.00 0.00 O ATOM 752 CB LYS A 45 -18.709 13.895 3.950 1.00 0.00 C ATOM 753 CG LYS A 45 -19.413 12.750 3.202 1.00 0.00 C ATOM 754 CD LYS A 45 -20.946 12.877 3.169 1.00 0.00 C ATOM 755 CE LYS A 45 -21.620 11.672 2.504 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.139 11.466 1.125 1.00 0.00 N ATOM 0 H LYS A 45 -18.721 14.815 1.626 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.301 15.318 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.643 13.859 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.816 13.733 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.039 12.713 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.147 11.804 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.321 12.983 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.221 13.785 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.426 10.776 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.700 11.820 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.920 11.117 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.790 12.367 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.368 10.768 1.127 1.00 0.00 H new ATOM 770 N MET A 46 -17.647 17.176 3.952 1.00 0.00 N ATOM 771 CA MET A 46 -17.069 18.284 4.710 1.00 0.00 C ATOM 772 C MET A 46 -18.120 19.360 5.019 1.00 0.00 C ATOM 773 O MET A 46 -18.100 19.955 6.094 1.00 0.00 O ATOM 774 CB MET A 46 -15.886 18.902 3.953 1.00 0.00 C ATOM 775 CG MET A 46 -14.785 17.886 3.637 1.00 0.00 C ATOM 776 SD MET A 46 -13.424 18.551 2.647 1.00 0.00 S ATOM 777 CE MET A 46 -12.419 17.061 2.495 1.00 0.00 C ATOM 0 H MET A 46 -17.262 17.063 3.014 1.00 0.00 H new ATOM 0 HA MET A 46 -16.708 17.881 5.656 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.246 19.341 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.465 19.713 4.547 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.383 17.500 4.574 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.226 17.042 3.107 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.604 17.242 1.795 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.008 16.798 3.470 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.037 16.241 2.129 1.00 0.00 H new ATOM 787 N GLN A 47 -19.026 19.622 4.073 1.00 0.00 N ATOM 788 CA GLN A 47 -20.078 20.625 4.171 1.00 0.00 C ATOM 789 C GLN A 47 -21.239 20.133 3.307 1.00 0.00 C ATOM 790 O GLN A 47 -21.269 20.365 2.098 1.00 0.00 O ATOM 791 CB GLN A 47 -19.551 22.036 3.822 1.00 0.00 C ATOM 792 CG GLN A 47 -19.150 22.350 2.368 1.00 0.00 C ATOM 793 CD GLN A 47 -18.167 21.350 1.770 1.00 0.00 C ATOM 794 OE1 GLN A 47 -16.959 21.555 1.811 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.676 20.260 1.206 1.00 0.00 N ATOM 0 H GLN A 47 -19.043 19.119 3.186 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.439 20.741 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.318 22.754 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.681 22.226 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -20.048 22.375 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.709 23.346 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.686 20.119 1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.057 19.564 0.791 1.00 0.00 H new ATOM 804 N GLN A 48 -22.158 19.387 3.919 1.00 0.00 N ATOM 805 CA GLN A 48 -23.171 18.664 3.166 1.00 0.00 C ATOM 806 C GLN A 48 -24.003 19.561 2.252 1.00 0.00 C ATOM 807 O GLN A 48 -24.484 20.614 2.668 1.00 0.00 O ATOM 808 CB GLN A 48 -24.008 17.746 4.057 1.00 0.00 C ATOM 809 CG GLN A 48 -23.092 16.775 4.821 1.00 0.00 C ATOM 810 CD GLN A 48 -22.729 17.322 6.200 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.607 17.594 7.010 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.448 17.528 6.488 1.00 0.00 N ATOM 0 H GLN A 48 -22.218 19.270 4.931 1.00 0.00 H new ATOM 0 HA GLN A 48 -22.633 18.006 2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.589 18.341 4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.719 17.186 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.590 15.811 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -22.183 16.601 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -20.728 17.297 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -21.185 17.917 7.393 1.00 0.00 H new ATOM 821 N LYS A 49 -24.137 19.130 0.995 1.00 0.00 N ATOM 822 CA LYS A 49 -24.698 19.915 -0.090 1.00 0.00 C ATOM 823 C LYS A 49 -25.444 18.982 -1.045 1.00 0.00 C ATOM 824 O LYS A 49 -25.063 17.824 -1.206 1.00 0.00 O ATOM 825 CB LYS A 49 -23.570 20.702 -0.778 1.00 0.00 C ATOM 826 CG LYS A 49 -22.335 19.849 -1.126 1.00 0.00 C ATOM 827 CD LYS A 49 -21.143 20.704 -1.574 1.00 0.00 C ATOM 828 CE LYS A 49 -21.446 21.473 -2.863 1.00 0.00 C ATOM 829 NZ LYS A 49 -20.276 22.229 -3.335 1.00 0.00 N ATOM 0 H LYS A 49 -23.847 18.197 0.703 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.419 20.644 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.959 21.151 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.262 21.520 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.048 19.258 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -22.593 19.146 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.883 21.408 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.274 20.064 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.764 20.774 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.276 22.158 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.551 22.828 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.916 22.827 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.533 21.567 -3.635 1.00 0.00 H new ATOM 843 N SER A 50 -26.528 19.471 -1.651 1.00 0.00 N ATOM 844 CA SER A 50 -27.463 18.663 -2.415 1.00 0.00 C ATOM 845 C SER A 50 -26.803 17.967 -3.609 1.00 0.00 C ATOM 846 O SER A 50 -27.084 16.800 -3.872 1.00 0.00 O ATOM 847 CB SER A 50 -28.631 19.548 -2.861 1.00 0.00 C ATOM 848 OG SER A 50 -29.030 20.374 -1.781 1.00 0.00 O ATOM 0 H SER A 50 -26.780 20.459 -1.620 1.00 0.00 H new ATOM 0 HA SER A 50 -27.831 17.862 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 50 -28.334 20.161 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 50 -29.466 18.930 -3.189 1.00 0.00 H new ATOM 0 HG SER A 50 -29.776 20.943 -2.063 1.00 0.00 H new ATOM 854 N GLN A 51 -25.961 18.685 -4.356 1.00 0.00 N ATOM 855 CA GLN A 51 -25.280 18.159 -5.530 1.00 0.00 C ATOM 856 C GLN A 51 -24.007 18.966 -5.794 1.00 0.00 C ATOM 857 O GLN A 51 -23.712 19.922 -5.076 1.00 0.00 O ATOM 858 CB GLN A 51 -26.234 18.157 -6.736 1.00 0.00 C ATOM 859 CG GLN A 51 -26.825 19.542 -7.031 1.00 0.00 C ATOM 860 CD GLN A 51 -27.567 19.549 -8.364 1.00 0.00 C ATOM 861 OE1 GLN A 51 -27.139 20.193 -9.316 1.00 0.00 O ATOM 862 NE2 GLN A 51 -28.678 18.826 -8.451 1.00 0.00 N ATOM 0 H GLN A 51 -25.734 19.659 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.981 17.125 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -25.698 17.801 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -27.045 17.453 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -27.507 19.828 -6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.027 20.285 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -29.009 18.301 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -29.200 18.796 -9.327 1.00 0.00 H new ATOM 871 N LYS A 52 -23.255 18.589 -6.833 1.00 0.00 N ATOM 872 CA LYS A 52 -21.979 19.200 -7.180 1.00 0.00 C ATOM 873 C LYS A 52 -22.194 20.561 -7.857 1.00 0.00 C ATOM 874 O LYS A 52 -21.908 20.737 -9.038 1.00 0.00 O ATOM 875 CB LYS A 52 -21.182 18.203 -8.036 1.00 0.00 C ATOM 876 CG LYS A 52 -19.698 18.572 -8.141 1.00 0.00 C ATOM 877 CD LYS A 52 -18.934 17.441 -8.838 1.00 0.00 C ATOM 878 CE LYS A 52 -17.424 17.695 -8.808 1.00 0.00 C ATOM 879 NZ LYS A 52 -16.685 16.516 -9.293 1.00 0.00 N ATOM 0 H LYS A 52 -23.526 17.836 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.394 19.414 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -21.275 17.205 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.614 18.161 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.583 19.501 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.285 18.745 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.156 16.493 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.271 17.353 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.184 18.560 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.111 17.933 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.664 16.710 -9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.899 15.699 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.970 16.306 -10.271 1.00 0.00 H new ATOM 893 N LYS A 53 -22.695 21.528 -7.088 1.00 0.00 N ATOM 894 CA LYS A 53 -22.845 22.929 -7.457 1.00 0.00 C ATOM 895 C LYS A 53 -22.262 23.755 -6.310 1.00 0.00 C ATOM 896 O LYS A 53 -22.171 23.247 -5.193 1.00 0.00 O ATOM 897 CB LYS A 53 -24.338 23.239 -7.659 1.00 0.00 C ATOM 898 CG LYS A 53 -24.953 22.509 -8.862 1.00 0.00 C ATOM 899 CD LYS A 53 -24.356 22.962 -10.201 1.00 0.00 C ATOM 900 CE LYS A 53 -25.166 22.421 -11.386 1.00 0.00 C ATOM 901 NZ LYS A 53 -25.259 20.950 -11.366 1.00 0.00 N ATOM 0 H LYS A 53 -23.024 21.341 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 53 -22.327 23.164 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -24.884 22.963 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -24.464 24.314 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -24.801 21.436 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -26.030 22.679 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -24.333 24.051 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -23.324 22.618 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -26.169 22.848 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -24.702 22.742 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -25.584 20.610 -12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -24.324 20.546 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -25.935 20.655 -10.633 1.00 0.00 H new ATOM 915 N PRO A 54 -21.854 25.010 -6.551 1.00 0.00 N ATOM 916 CA PRO A 54 -21.313 25.892 -5.524 1.00 0.00 C ATOM 917 C PRO A 54 -22.420 26.370 -4.569 1.00 0.00 C ATOM 918 O PRO A 54 -22.725 27.556 -4.489 1.00 0.00 O ATOM 919 CB PRO A 54 -20.646 27.033 -6.304 1.00 0.00 C ATOM 920 CG PRO A 54 -21.467 27.096 -7.592 1.00 0.00 C ATOM 921 CD PRO A 54 -21.790 25.634 -7.861 1.00 0.00 C ATOM 0 HA PRO A 54 -20.592 25.398 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.684 27.974 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -19.595 26.824 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -22.370 27.693 -7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.901 27.542 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -22.736 25.531 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -21.024 25.169 -8.481 1.00 0.00 H new ATOM 929 N GLU A 55 -23.022 25.440 -3.823 1.00 0.00 N ATOM 930 CA GLU A 55 -24.077 25.733 -2.867 1.00 0.00 C ATOM 931 C GLU A 55 -23.493 26.512 -1.689 1.00 0.00 C ATOM 932 O GLU A 55 -23.006 25.919 -0.727 1.00 0.00 O ATOM 933 CB GLU A 55 -24.744 24.424 -2.415 1.00 0.00 C ATOM 934 CG GLU A 55 -25.408 23.691 -3.591 1.00 0.00 C ATOM 935 CD GLU A 55 -26.037 22.363 -3.179 1.00 0.00 C ATOM 936 OE1 GLU A 55 -26.443 22.252 -2.001 1.00 0.00 O ATOM 937 OE2 GLU A 55 -26.103 21.472 -4.053 1.00 0.00 O ATOM 0 H GLU A 55 -22.782 24.450 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 55 -24.845 26.352 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.998 23.775 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -25.492 24.641 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -26.175 24.332 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.665 23.511 -4.367 1.00 0.00 H new TER 944 GLU A 55