USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 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 43 LYS NZ :NH3+ -177:sc= -0.0242 (180deg=-0.0611) USER MOD Set 1.2: A 47 GLN : amide:sc= 1.97 K(o=1.9,f=-0.36) USER MOD Set 2.1: A 1 MET N :NH3+ -171:sc= 0.787 (180deg=-0.00696) USER MOD Set 2.2: A 3 SER OG : rot -109:sc= 0.777 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc=-0.00118 (180deg=-0.0904) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.439) USER MOD Single : A 22 SER OG : rot -153:sc= 0.755 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00803 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 84:sc= 2.03 USER MOD Single : A 32 THR OG1 : rot 79:sc= 2.19 USER MOD Single : A 33 SER OG : rot 79:sc= 1.16 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= -0.0238 (180deg=-0.132) USER MOD Single : A 36 SER OG : rot 77:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0939) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -0.0185 (180deg=-0.296) USER MOD Single : A 46 MET CE :methyl -179:sc= 0 (180deg=-0.00604) USER MOD Single : A 48 GLN : amide:sc= 0.274 K(o=0.27,f=-2.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= 0.235 (180deg=-0.0322) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.152 9.143 9.721 1.00 0.00 N ATOM 2 CA MET A 1 -18.109 9.909 9.059 1.00 0.00 C ATOM 3 C MET A 1 -16.907 8.989 8.844 1.00 0.00 C ATOM 4 O MET A 1 -16.487 8.761 7.712 1.00 0.00 O ATOM 5 CB MET A 1 -17.778 11.155 9.899 1.00 0.00 C ATOM 6 CG MET A 1 -17.112 12.281 9.093 1.00 0.00 C ATOM 7 SD MET A 1 -15.491 11.927 8.364 1.00 0.00 S ATOM 8 CE MET A 1 -15.094 13.546 7.670 1.00 0.00 C ATOM 0 H1 MET A 1 -20.031 9.699 9.741 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.315 8.257 9.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.858 8.925 10.694 1.00 0.00 H new ATOM 0 HA MET A 1 -18.431 10.271 8.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.696 11.535 10.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.119 10.866 10.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.789 12.567 8.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.007 13.148 9.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.121 13.504 7.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.855 13.826 6.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.067 14.287 8.469 1.00 0.00 H new ATOM 18 N ALA A 2 -16.411 8.391 9.933 1.00 0.00 N ATOM 19 CA ALA A 2 -15.410 7.330 9.880 1.00 0.00 C ATOM 20 C ALA A 2 -15.893 6.189 8.983 1.00 0.00 C ATOM 21 O ALA A 2 -15.133 5.642 8.188 1.00 0.00 O ATOM 22 CB ALA A 2 -15.113 6.823 11.293 1.00 0.00 C ATOM 0 H ALA A 2 -16.698 8.635 10.881 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.489 7.729 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.365 6.031 11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.734 7.644 11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.028 6.432 11.739 1.00 0.00 H new ATOM 28 N SER A 3 -17.182 5.863 9.089 1.00 0.00 N ATOM 29 CA SER A 3 -17.888 4.958 8.201 1.00 0.00 C ATOM 30 C SER A 3 -17.625 5.321 6.738 1.00 0.00 C ATOM 31 O SER A 3 -17.233 4.480 5.932 1.00 0.00 O ATOM 32 CB SER A 3 -19.378 5.086 8.534 1.00 0.00 C ATOM 33 OG SER A 3 -19.692 6.452 8.784 1.00 0.00 O ATOM 0 H SER A 3 -17.779 6.240 9.825 1.00 0.00 H new ATOM 0 HA SER A 3 -17.547 3.932 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.980 4.709 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.620 4.480 9.407 1.00 0.00 H new ATOM 0 HG SER A 3 -19.873 6.577 9.739 1.00 0.00 H new ATOM 39 N VAL A 4 -17.856 6.587 6.393 1.00 0.00 N ATOM 40 CA VAL A 4 -17.685 7.057 5.032 1.00 0.00 C ATOM 41 C VAL A 4 -16.198 7.062 4.654 1.00 0.00 C ATOM 42 O VAL A 4 -15.865 6.675 3.542 1.00 0.00 O ATOM 43 CB VAL A 4 -18.393 8.402 4.809 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.310 8.808 3.332 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.872 8.319 5.213 1.00 0.00 C ATOM 0 H VAL A 4 -18.164 7.305 7.048 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.173 6.363 4.348 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.892 9.145 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.816 9.763 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.264 8.903 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.791 8.047 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.350 9.284 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.371 7.558 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.947 8.056 6.268 1.00 0.00 H new ATOM 55 N LEU A 5 -15.281 7.442 5.551 1.00 0.00 N ATOM 56 CA LEU A 5 -13.850 7.290 5.271 1.00 0.00 C ATOM 57 C LEU A 5 -13.523 5.836 4.909 1.00 0.00 C ATOM 58 O LEU A 5 -12.858 5.580 3.905 1.00 0.00 O ATOM 59 CB LEU A 5 -12.984 7.771 6.447 1.00 0.00 C ATOM 60 CG LEU A 5 -13.040 9.288 6.695 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.300 9.623 7.996 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.385 10.087 5.559 1.00 0.00 C ATOM 0 H LEU A 5 -15.499 7.850 6.460 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.613 7.922 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.302 7.255 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.949 7.483 6.263 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.093 9.564 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.340 10.698 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.773 9.102 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.260 9.307 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.449 11.153 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.338 9.798 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.902 9.878 4.622 1.00 0.00 H new ATOM 74 N GLU A 6 -14.009 4.881 5.710 1.00 0.00 N ATOM 75 CA GLU A 6 -13.838 3.460 5.445 1.00 0.00 C ATOM 76 C GLU A 6 -14.386 3.111 4.054 1.00 0.00 C ATOM 77 O GLU A 6 -13.686 2.500 3.248 1.00 0.00 O ATOM 78 CB GLU A 6 -14.506 2.643 6.561 1.00 0.00 C ATOM 79 CG GLU A 6 -14.114 1.162 6.508 1.00 0.00 C ATOM 80 CD GLU A 6 -14.848 0.366 7.582 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.456 0.506 8.760 1.00 0.00 O ATOM 82 OE2 GLU A 6 -15.798 -0.357 7.207 1.00 0.00 O ATOM 0 H GLU A 6 -14.533 5.080 6.562 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.778 3.207 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.226 3.057 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.589 2.734 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.348 0.755 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.038 1.061 6.647 1.00 0.00 H new ATOM 89 N GLU A 7 -15.628 3.521 3.771 1.00 0.00 N ATOM 90 CA GLU A 7 -16.262 3.349 2.466 1.00 0.00 C ATOM 91 C GLU A 7 -15.327 3.839 1.357 1.00 0.00 C ATOM 92 O GLU A 7 -14.995 3.086 0.444 1.00 0.00 O ATOM 93 CB GLU A 7 -17.614 4.086 2.460 1.00 0.00 C ATOM 94 CG GLU A 7 -18.500 3.834 1.230 1.00 0.00 C ATOM 95 CD GLU A 7 -17.954 4.430 -0.069 1.00 0.00 C ATOM 96 OE1 GLU A 7 -17.568 5.618 -0.034 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.933 3.683 -1.071 1.00 0.00 O ATOM 0 H GLU A 7 -16.226 3.987 4.453 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.454 2.293 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.170 3.796 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.425 5.157 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.624 2.759 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.490 4.248 1.419 1.00 0.00 H new ATOM 104 N LEU A 8 -14.907 5.102 1.434 1.00 0.00 N ATOM 105 CA LEU A 8 -14.079 5.734 0.420 1.00 0.00 C ATOM 106 C LEU A 8 -12.778 4.952 0.246 1.00 0.00 C ATOM 107 O LEU A 8 -12.389 4.658 -0.880 1.00 0.00 O ATOM 108 CB LEU A 8 -13.820 7.205 0.780 1.00 0.00 C ATOM 109 CG LEU A 8 -15.098 8.062 0.767 1.00 0.00 C ATOM 110 CD1 LEU A 8 -14.838 9.385 1.495 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.574 8.371 -0.653 1.00 0.00 C ATOM 0 H LEU A 8 -15.138 5.718 2.214 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.605 5.721 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.365 7.256 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.101 7.624 0.076 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.876 7.488 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.744 9.990 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.549 9.182 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.035 9.925 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.478 8.978 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.796 8.917 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.787 7.439 -1.176 1.00 0.00 H new ATOM 123 N GLN A 9 -12.111 4.590 1.346 1.00 0.00 N ATOM 124 CA GLN A 9 -10.891 3.799 1.282 1.00 0.00 C ATOM 125 C GLN A 9 -11.137 2.462 0.574 1.00 0.00 C ATOM 126 O GLN A 9 -10.386 2.096 -0.330 1.00 0.00 O ATOM 127 CB GLN A 9 -10.308 3.615 2.688 1.00 0.00 C ATOM 128 CG GLN A 9 -9.003 2.809 2.640 1.00 0.00 C ATOM 129 CD GLN A 9 -8.253 2.892 3.962 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.380 2.020 4.814 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.463 3.946 4.146 1.00 0.00 N ATOM 0 H GLN A 9 -12.402 4.836 2.292 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.152 4.335 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.121 4.590 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.032 3.104 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.225 1.767 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.370 3.185 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.379 4.654 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.941 4.046 5.016 1.00 0.00 H new ATOM 140 N LYS A 10 -12.179 1.727 0.969 1.00 0.00 N ATOM 141 CA LYS A 10 -12.514 0.465 0.324 1.00 0.00 C ATOM 142 C LYS A 10 -12.772 0.688 -1.169 1.00 0.00 C ATOM 143 O LYS A 10 -12.293 -0.074 -2.004 1.00 0.00 O ATOM 144 CB LYS A 10 -13.707 -0.198 1.030 1.00 0.00 C ATOM 145 CG LYS A 10 -14.173 -1.507 0.369 1.00 0.00 C ATOM 146 CD LYS A 10 -13.057 -2.563 0.274 1.00 0.00 C ATOM 147 CE LYS A 10 -13.541 -3.858 -0.388 1.00 0.00 C ATOM 148 NZ LYS A 10 -14.586 -4.531 0.403 1.00 0.00 N ATOM 0 H LYS A 10 -12.803 1.988 1.733 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.671 -0.220 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.436 -0.402 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.541 0.504 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.007 -1.918 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.546 -1.290 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.221 -2.156 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.683 -2.785 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.928 -3.633 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.696 -4.534 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.774 -5.471 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.265 -4.633 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.458 -3.964 0.380 1.00 0.00 H new ATOM 162 N ASP A 11 -13.515 1.739 -1.515 1.00 0.00 N ATOM 163 CA ASP A 11 -13.787 2.082 -2.903 1.00 0.00 C ATOM 164 C ASP A 11 -12.477 2.350 -3.659 1.00 0.00 C ATOM 165 O ASP A 11 -12.282 1.858 -4.769 1.00 0.00 O ATOM 166 CB ASP A 11 -14.749 3.277 -2.950 1.00 0.00 C ATOM 167 CG ASP A 11 -15.286 3.539 -4.349 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.554 2.544 -5.058 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.437 4.734 -4.681 1.00 0.00 O ATOM 0 H ASP A 11 -13.943 2.373 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.269 1.244 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.583 3.094 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.235 4.168 -2.589 1.00 0.00 H new ATOM 174 N LEU A 12 -11.556 3.089 -3.030 1.00 0.00 N ATOM 175 CA LEU A 12 -10.211 3.342 -3.535 1.00 0.00 C ATOM 176 C LEU A 12 -9.523 2.003 -3.834 1.00 0.00 C ATOM 177 O LEU A 12 -9.049 1.768 -4.944 1.00 0.00 O ATOM 178 CB LEU A 12 -9.419 4.192 -2.522 1.00 0.00 C ATOM 179 CG LEU A 12 -8.434 5.183 -3.161 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.833 6.069 -2.064 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.301 4.469 -3.902 1.00 0.00 C ATOM 0 H LEU A 12 -11.735 3.538 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.257 3.910 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.123 4.747 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.867 3.526 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.985 5.781 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.133 6.775 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.630 6.617 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.308 5.446 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.629 5.208 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.747 3.842 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.719 3.847 -4.694 1.00 0.00 H new ATOM 193 N GLU A 13 -9.495 1.107 -2.845 1.00 0.00 N ATOM 194 CA GLU A 13 -8.927 -0.227 -2.994 1.00 0.00 C ATOM 195 C GLU A 13 -9.573 -0.959 -4.177 1.00 0.00 C ATOM 196 O GLU A 13 -8.874 -1.559 -4.991 1.00 0.00 O ATOM 197 CB GLU A 13 -9.088 -0.999 -1.678 1.00 0.00 C ATOM 198 CG GLU A 13 -8.367 -2.353 -1.698 1.00 0.00 C ATOM 199 CD GLU A 13 -8.576 -3.101 -0.385 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.733 -3.514 -0.147 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.584 -3.232 0.363 1.00 0.00 O ATOM 0 H GLU A 13 -9.869 1.292 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.862 -0.151 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.699 -0.396 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.148 -1.159 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.739 -2.955 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.301 -2.200 -1.868 1.00 0.00 H new ATOM 208 N GLU A 14 -10.904 -0.908 -4.284 1.00 0.00 N ATOM 209 CA GLU A 14 -11.625 -1.543 -5.374 1.00 0.00 C ATOM 210 C GLU A 14 -11.119 -1.015 -6.721 1.00 0.00 C ATOM 211 O GLU A 14 -10.730 -1.807 -7.582 1.00 0.00 O ATOM 212 CB GLU A 14 -13.140 -1.354 -5.195 1.00 0.00 C ATOM 213 CG GLU A 14 -13.962 -2.199 -6.182 1.00 0.00 C ATOM 214 CD GLU A 14 -13.750 -3.702 -5.998 1.00 0.00 C ATOM 215 OE1 GLU A 14 -13.893 -4.158 -4.844 1.00 0.00 O ATOM 216 OE2 GLU A 14 -13.447 -4.363 -7.015 1.00 0.00 O ATOM 0 H GLU A 14 -11.504 -0.425 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.436 -2.616 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.418 -1.621 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.389 -0.301 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.020 -1.968 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.694 -1.921 -7.201 1.00 0.00 H new ATOM 223 N VAL A 15 -11.092 0.310 -6.913 1.00 0.00 N ATOM 224 CA VAL A 15 -10.556 0.834 -8.166 1.00 0.00 C ATOM 225 C VAL A 15 -9.103 0.411 -8.362 1.00 0.00 C ATOM 226 O VAL A 15 -8.763 0.020 -9.469 1.00 0.00 O ATOM 227 CB VAL A 15 -10.807 2.334 -8.399 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.280 3.249 -7.296 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.188 2.790 -9.727 1.00 0.00 C ATOM 0 H VAL A 15 -11.420 1.009 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.137 0.368 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.893 2.428 -8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.502 4.286 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.759 2.993 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.202 3.122 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.378 3.854 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.113 2.613 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.633 2.228 -10.548 1.00 0.00 H new ATOM 239 N LYS A 16 -8.247 0.435 -7.335 1.00 0.00 N ATOM 240 CA LYS A 16 -6.872 -0.054 -7.477 1.00 0.00 C ATOM 241 C LYS A 16 -6.853 -1.487 -8.029 1.00 0.00 C ATOM 242 O LYS A 16 -6.207 -1.760 -9.039 1.00 0.00 O ATOM 243 CB LYS A 16 -6.119 0.029 -6.141 1.00 0.00 C ATOM 244 CG LYS A 16 -5.906 1.472 -5.666 1.00 0.00 C ATOM 245 CD LYS A 16 -4.655 2.098 -6.291 1.00 0.00 C ATOM 246 CE LYS A 16 -4.513 3.546 -5.811 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.282 4.169 -6.327 1.00 0.00 N ATOM 0 H LYS A 16 -8.479 0.784 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.359 0.589 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.675 -0.520 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.151 -0.461 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.779 2.072 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.816 1.488 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.771 1.524 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.726 2.070 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.378 4.124 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.505 3.570 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.218 5.148 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.456 3.631 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.302 4.168 -7.367 1.00 0.00 H new ATOM 261 N VAL A 17 -7.588 -2.397 -7.386 1.00 0.00 N ATOM 262 CA VAL A 17 -7.714 -3.784 -7.822 1.00 0.00 C ATOM 263 C VAL A 17 -8.113 -3.841 -9.303 1.00 0.00 C ATOM 264 O VAL A 17 -7.437 -4.483 -10.113 1.00 0.00 O ATOM 265 CB VAL A 17 -8.701 -4.520 -6.894 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.164 -5.869 -7.456 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.050 -4.763 -5.525 1.00 0.00 C ATOM 0 H VAL A 17 -8.117 -2.187 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.755 -4.297 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.576 -3.876 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.857 -6.336 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.664 -5.713 -8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.301 -6.519 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.753 -5.283 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.154 -5.371 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.780 -3.807 -5.076 1.00 0.00 H new ATOM 277 N LEU A 18 -9.200 -3.159 -9.673 1.00 0.00 N ATOM 278 CA LEU A 18 -9.662 -3.148 -11.057 1.00 0.00 C ATOM 279 C LEU A 18 -8.609 -2.558 -12.003 1.00 0.00 C ATOM 280 O LEU A 18 -8.410 -3.082 -13.098 1.00 0.00 O ATOM 281 CB LEU A 18 -10.990 -2.390 -11.175 1.00 0.00 C ATOM 282 CG LEU A 18 -12.156 -3.063 -10.429 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.385 -2.154 -10.518 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.511 -4.438 -11.012 1.00 0.00 C ATOM 0 H LEU A 18 -9.773 -2.609 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.825 -4.182 -11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.857 -1.380 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.251 -2.295 -12.229 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.846 -3.215 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.220 -2.619 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.159 -1.191 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.652 -2.005 -11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.339 -4.869 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.801 -4.326 -12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.645 -5.096 -10.944 1.00 0.00 H new ATOM 296 N LEU A 19 -7.947 -1.476 -11.589 1.00 0.00 N ATOM 297 CA LEU A 19 -6.914 -0.772 -12.338 1.00 0.00 C ATOM 298 C LEU A 19 -5.776 -1.738 -12.664 1.00 0.00 C ATOM 299 O LEU A 19 -5.317 -1.802 -13.801 1.00 0.00 O ATOM 300 CB LEU A 19 -6.402 0.423 -11.509 1.00 0.00 C ATOM 301 CG LEU A 19 -5.513 1.405 -12.288 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.380 2.499 -12.924 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.506 2.066 -11.340 1.00 0.00 C ATOM 0 H LEU A 19 -8.128 -1.050 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.325 -0.392 -13.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.259 0.966 -11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.841 0.043 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.982 0.853 -13.064 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.745 3.192 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.098 2.044 -13.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.915 3.039 -12.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.880 2.760 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.042 2.608 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.879 1.300 -10.883 1.00 0.00 H new ATOM 315 N GLU A 20 -5.323 -2.495 -11.663 1.00 0.00 N ATOM 316 CA GLU A 20 -4.296 -3.507 -11.851 1.00 0.00 C ATOM 317 C GLU A 20 -4.769 -4.573 -12.847 1.00 0.00 C ATOM 318 O GLU A 20 -4.036 -4.941 -13.761 1.00 0.00 O ATOM 319 CB GLU A 20 -3.946 -4.136 -10.496 1.00 0.00 C ATOM 320 CG GLU A 20 -3.236 -3.138 -9.570 1.00 0.00 C ATOM 321 CD GLU A 20 -3.146 -3.680 -8.146 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.349 -4.623 -7.952 1.00 0.00 O ATOM 323 OE2 GLU A 20 -3.881 -3.152 -7.283 1.00 0.00 O ATOM 0 H GLU A 20 -5.660 -2.420 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.401 -3.042 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.857 -4.493 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.306 -5.005 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.235 -2.934 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.775 -2.191 -9.569 1.00 0.00 H new ATOM 330 N LYS A 21 -5.979 -5.100 -12.640 1.00 0.00 N ATOM 331 CA LYS A 21 -6.456 -6.264 -13.378 1.00 0.00 C ATOM 332 C LYS A 21 -6.945 -5.934 -14.793 1.00 0.00 C ATOM 333 O LYS A 21 -6.394 -6.430 -15.778 1.00 0.00 O ATOM 334 CB LYS A 21 -7.544 -6.967 -12.555 1.00 0.00 C ATOM 335 CG LYS A 21 -6.927 -7.619 -11.311 1.00 0.00 C ATOM 336 CD LYS A 21 -8.020 -8.191 -10.402 1.00 0.00 C ATOM 337 CE LYS A 21 -7.429 -9.094 -9.310 1.00 0.00 C ATOM 338 NZ LYS A 21 -6.351 -8.431 -8.553 1.00 0.00 N ATOM 0 H LYS A 21 -6.647 -4.733 -11.962 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.609 -6.935 -13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.307 -6.248 -12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.039 -7.724 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.244 -8.414 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.339 -6.883 -10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.574 -7.374 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.731 -8.760 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.220 -9.394 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.041 -10.005 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.297 -8.838 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.444 -8.574 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.550 -7.413 -8.485 1.00 0.00 H new ATOM 352 N SER A 22 -8.011 -5.140 -14.918 1.00 0.00 N ATOM 353 CA SER A 22 -8.701 -4.936 -16.189 1.00 0.00 C ATOM 354 C SER A 22 -7.992 -3.938 -17.103 1.00 0.00 C ATOM 355 O SER A 22 -8.584 -2.944 -17.517 1.00 0.00 O ATOM 356 CB SER A 22 -10.165 -4.556 -15.945 1.00 0.00 C ATOM 357 OG SER A 22 -10.859 -5.707 -15.501 1.00 0.00 O ATOM 0 H SER A 22 -8.418 -4.622 -14.140 1.00 0.00 H new ATOM 0 HA SER A 22 -8.677 -5.884 -16.726 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.232 -3.763 -15.200 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.615 -4.172 -16.861 1.00 0.00 H new ATOM 0 HG SER A 22 -11.806 -5.631 -15.742 1.00 0.00 H new ATOM 363 N THR A 23 -6.762 -4.272 -17.493 1.00 0.00 N ATOM 364 CA THR A 23 -5.878 -3.546 -18.401 1.00 0.00 C ATOM 365 C THR A 23 -6.533 -3.073 -19.712 1.00 0.00 C ATOM 366 O THR A 23 -6.005 -2.178 -20.371 1.00 0.00 O ATOM 367 CB THR A 23 -4.656 -4.435 -18.683 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.067 -5.762 -18.961 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.709 -4.460 -17.478 1.00 0.00 C ATOM 0 H THR A 23 -6.324 -5.128 -17.153 1.00 0.00 H new ATOM 0 HA THR A 23 -5.594 -2.619 -17.903 1.00 0.00 H new ATOM 0 HB THR A 23 -4.135 -4.017 -19.545 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.280 -6.317 -19.141 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.852 -5.096 -17.702 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.364 -3.448 -17.265 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.236 -4.854 -16.609 1.00 0.00 H new ATOM 377 N ARG A 24 -7.664 -3.661 -20.111 1.00 0.00 N ATOM 378 CA ARG A 24 -8.327 -3.433 -21.382 1.00 0.00 C ATOM 379 C ARG A 24 -9.022 -2.063 -21.421 1.00 0.00 C ATOM 380 O ARG A 24 -10.248 -2.006 -21.493 1.00 0.00 O ATOM 381 CB ARG A 24 -9.352 -4.558 -21.624 1.00 0.00 C ATOM 382 CG ARG A 24 -8.793 -5.991 -21.653 1.00 0.00 C ATOM 383 CD ARG A 24 -8.428 -6.609 -20.291 1.00 0.00 C ATOM 384 NE ARG A 24 -9.463 -6.403 -19.261 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.521 -7.201 -19.046 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.842 -8.142 -19.941 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.257 -7.070 -17.934 1.00 0.00 N ATOM 0 H ARG A 24 -8.157 -4.336 -19.527 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.575 -3.438 -22.171 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.112 -4.502 -20.845 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.853 -4.366 -22.573 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.528 -6.635 -22.135 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.902 -5.998 -22.281 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.260 -7.678 -20.418 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.489 -6.178 -19.944 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.367 -5.584 -18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.283 -8.253 -20.787 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.646 -8.748 -19.778 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.015 -6.360 -17.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.059 -7.680 -17.779 1.00 0.00 H new ATOM 401 N LYS A 25 -8.260 -0.963 -21.370 1.00 0.00 N ATOM 402 CA LYS A 25 -8.709 0.435 -21.455 1.00 0.00 C ATOM 403 C LYS A 25 -9.466 0.910 -20.211 1.00 0.00 C ATOM 404 O LYS A 25 -9.210 2.015 -19.731 1.00 0.00 O ATOM 405 CB LYS A 25 -9.516 0.739 -22.730 1.00 0.00 C ATOM 406 CG LYS A 25 -8.646 0.941 -23.975 1.00 0.00 C ATOM 407 CD LYS A 25 -7.945 -0.345 -24.432 1.00 0.00 C ATOM 408 CE LYS A 25 -7.265 -0.133 -25.788 1.00 0.00 C ATOM 409 NZ LYS A 25 -6.582 -1.356 -26.243 1.00 0.00 N ATOM 0 H LYS A 25 -7.248 -1.029 -21.261 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.784 1.009 -21.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.212 -0.080 -22.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.114 1.635 -22.566 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.267 1.318 -24.788 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.895 1.703 -23.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.205 -0.646 -23.691 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.670 -1.155 -24.505 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.008 0.167 -26.527 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.544 0.681 -25.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.132 -1.180 -27.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.857 -1.627 -25.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.275 -2.126 -26.338 1.00 0.00 H new ATOM 423 N ARG A 26 -10.383 0.080 -19.698 1.00 0.00 N ATOM 424 CA ARG A 26 -11.209 0.291 -18.517 1.00 0.00 C ATOM 425 C ARG A 26 -10.537 1.124 -17.431 1.00 0.00 C ATOM 426 O ARG A 26 -11.212 1.943 -16.815 1.00 0.00 O ATOM 427 CB ARG A 26 -11.634 -1.064 -17.933 1.00 0.00 C ATOM 428 CG ARG A 26 -12.827 -1.711 -18.651 1.00 0.00 C ATOM 429 CD ARG A 26 -14.083 -0.827 -18.698 1.00 0.00 C ATOM 430 NE ARG A 26 -14.328 -0.150 -17.416 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.226 0.822 -17.211 1.00 0.00 C ATOM 432 NH1 ARG A 26 -16.092 1.165 -18.171 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.240 1.450 -16.032 1.00 0.00 N ATOM 0 H ARG A 26 -10.576 -0.821 -20.135 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.076 0.861 -18.851 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.786 -1.747 -17.974 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.886 -0.931 -16.881 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.533 -1.960 -19.670 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.073 -2.648 -18.152 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.973 -0.082 -19.486 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.947 -1.439 -18.956 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.768 -0.445 -16.617 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.073 0.685 -19.071 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.772 1.907 -18.003 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.574 1.187 -15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.917 2.193 -15.858 1.00 0.00 H new ATOM 447 N LEU A 27 -9.242 0.913 -17.180 1.00 0.00 N ATOM 448 CA LEU A 27 -8.415 1.737 -16.302 1.00 0.00 C ATOM 449 C LEU A 27 -8.829 3.207 -16.353 1.00 0.00 C ATOM 450 O LEU A 27 -9.140 3.796 -15.323 1.00 0.00 O ATOM 451 CB LEU A 27 -6.937 1.623 -16.710 1.00 0.00 C ATOM 452 CG LEU A 27 -6.226 0.411 -16.099 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.954 -0.892 -16.404 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.799 0.320 -16.649 1.00 0.00 C ATOM 0 H LEU A 27 -8.726 0.138 -17.597 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.555 1.371 -15.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.872 1.563 -17.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.414 2.531 -16.409 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.214 0.551 -15.018 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.415 -1.724 -15.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.964 -0.849 -15.996 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.005 -1.036 -17.483 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.295 -0.543 -16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.833 0.211 -17.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.252 1.227 -16.393 1.00 0.00 H new ATOM 466 N ARG A 28 -8.834 3.788 -17.555 1.00 0.00 N ATOM 467 CA ARG A 28 -9.140 5.195 -17.769 1.00 0.00 C ATOM 468 C ARG A 28 -10.532 5.515 -17.217 1.00 0.00 C ATOM 469 O ARG A 28 -10.686 6.317 -16.293 1.00 0.00 O ATOM 470 CB ARG A 28 -9.022 5.485 -19.275 1.00 0.00 C ATOM 471 CG ARG A 28 -9.285 6.940 -19.687 1.00 0.00 C ATOM 472 CD ARG A 28 -8.299 7.924 -19.046 1.00 0.00 C ATOM 473 NE ARG A 28 -8.782 8.407 -17.746 1.00 0.00 N ATOM 474 CZ ARG A 28 -8.047 9.070 -16.843 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.729 9.226 -17.010 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.656 9.591 -15.775 1.00 0.00 N ATOM 0 H ARG A 28 -8.622 3.283 -18.416 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.438 5.837 -17.237 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.021 5.207 -19.604 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.722 4.842 -19.808 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.221 7.023 -20.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.301 7.215 -19.405 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.332 7.438 -18.917 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.144 8.771 -19.714 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.757 8.223 -17.511 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.270 8.838 -17.834 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.183 9.733 -16.314 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.663 9.481 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.114 10.099 -15.076 1.00 0.00 H new ATOM 490 N ASP A 29 -11.550 4.871 -17.793 1.00 0.00 N ATOM 491 CA ASP A 29 -12.953 5.079 -17.449 1.00 0.00 C ATOM 492 C ASP A 29 -13.161 4.939 -15.940 1.00 0.00 C ATOM 493 O ASP A 29 -13.702 5.827 -15.277 1.00 0.00 O ATOM 494 CB ASP A 29 -13.823 4.053 -18.192 1.00 0.00 C ATOM 495 CG ASP A 29 -13.613 4.086 -19.701 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.534 3.615 -20.126 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.528 4.576 -20.398 1.00 0.00 O ATOM 0 H ASP A 29 -11.416 4.176 -18.527 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.243 6.086 -17.748 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.597 3.054 -17.820 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.873 4.245 -17.971 1.00 0.00 H new ATOM 502 N THR A 30 -12.725 3.797 -15.413 1.00 0.00 N ATOM 503 CA THR A 30 -12.867 3.409 -14.024 1.00 0.00 C ATOM 504 C THR A 30 -12.195 4.444 -13.127 1.00 0.00 C ATOM 505 O THR A 30 -12.826 4.928 -12.191 1.00 0.00 O ATOM 506 CB THR A 30 -12.289 2.001 -13.812 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.833 1.120 -14.774 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.633 1.440 -12.431 1.00 0.00 C ATOM 0 H THR A 30 -12.244 3.092 -15.971 1.00 0.00 H new ATOM 0 HA THR A 30 -13.923 3.374 -13.756 1.00 0.00 H new ATOM 0 HB THR A 30 -11.206 2.082 -13.904 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.325 1.193 -15.609 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.204 0.443 -12.326 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.225 2.094 -11.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.716 1.382 -12.321 1.00 0.00 H new ATOM 516 N LEU A 31 -10.936 4.798 -13.406 1.00 0.00 N ATOM 517 CA LEU A 31 -10.203 5.760 -12.596 1.00 0.00 C ATOM 518 C LEU A 31 -10.965 7.079 -12.566 1.00 0.00 C ATOM 519 O LEU A 31 -11.276 7.577 -11.486 1.00 0.00 O ATOM 520 CB LEU A 31 -8.763 5.903 -13.117 1.00 0.00 C ATOM 521 CG LEU A 31 -7.792 6.720 -12.245 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.990 8.237 -12.345 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.801 6.283 -10.775 1.00 0.00 C ATOM 0 H LEU A 31 -10.406 4.426 -14.194 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.124 5.410 -11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.347 4.904 -13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.802 6.362 -14.105 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.811 6.497 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.269 8.741 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.842 8.556 -13.377 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.001 8.494 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.098 6.894 -10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.803 6.409 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.509 5.235 -10.705 1.00 0.00 H new ATOM 535 N THR A 32 -11.302 7.622 -13.742 1.00 0.00 N ATOM 536 CA THR A 32 -12.049 8.872 -13.834 1.00 0.00 C ATOM 537 C THR A 32 -13.313 8.806 -12.972 1.00 0.00 C ATOM 538 O THR A 32 -13.536 9.657 -12.108 1.00 0.00 O ATOM 539 CB THR A 32 -12.402 9.183 -15.300 1.00 0.00 C ATOM 540 OG1 THR A 32 -11.278 8.969 -16.126 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.843 10.640 -15.460 1.00 0.00 C ATOM 0 H THR A 32 -11.066 7.209 -14.644 1.00 0.00 H new ATOM 0 HA THR A 32 -11.421 9.679 -13.457 1.00 0.00 H new ATOM 0 HB THR A 32 -13.218 8.521 -15.590 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.178 8.010 -16.300 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.087 10.834 -16.505 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.722 10.824 -14.842 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.035 11.301 -15.147 1.00 0.00 H new ATOM 549 N SER A 33 -14.138 7.785 -13.217 1.00 0.00 N ATOM 550 CA SER A 33 -15.418 7.631 -12.549 1.00 0.00 C ATOM 551 C SER A 33 -15.230 7.549 -11.036 1.00 0.00 C ATOM 552 O SER A 33 -15.818 8.334 -10.290 1.00 0.00 O ATOM 553 CB SER A 33 -16.140 6.392 -13.091 1.00 0.00 C ATOM 554 OG SER A 33 -16.269 6.485 -14.496 1.00 0.00 O ATOM 0 H SER A 33 -13.930 7.044 -13.887 1.00 0.00 H new ATOM 0 HA SER A 33 -16.035 8.505 -12.754 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.584 5.492 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.125 6.305 -12.632 1.00 0.00 H new ATOM 0 HG SER A 33 -15.419 6.242 -14.919 1.00 0.00 H new ATOM 560 N GLU A 34 -14.409 6.599 -10.582 1.00 0.00 N ATOM 561 CA GLU A 34 -14.247 6.347 -9.162 1.00 0.00 C ATOM 562 C GLU A 34 -13.652 7.573 -8.478 1.00 0.00 C ATOM 563 O GLU A 34 -14.152 7.991 -7.439 1.00 0.00 O ATOM 564 CB GLU A 34 -13.400 5.092 -8.905 1.00 0.00 C ATOM 565 CG GLU A 34 -13.871 4.415 -7.609 1.00 0.00 C ATOM 566 CD GLU A 34 -15.054 3.488 -7.881 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.199 3.986 -7.824 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.784 2.303 -8.177 1.00 0.00 O ATOM 0 H GLU A 34 -13.849 5.995 -11.184 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.231 6.157 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.491 4.401 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.347 5.361 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.051 3.846 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.157 5.173 -6.880 1.00 0.00 H new ATOM 575 N LYS A 35 -12.606 8.164 -9.065 1.00 0.00 N ATOM 576 CA LYS A 35 -12.015 9.390 -8.550 1.00 0.00 C ATOM 577 C LYS A 35 -13.102 10.452 -8.378 1.00 0.00 C ATOM 578 O LYS A 35 -13.221 11.045 -7.308 1.00 0.00 O ATOM 579 CB LYS A 35 -10.899 9.872 -9.487 1.00 0.00 C ATOM 580 CG LYS A 35 -10.188 11.107 -8.919 1.00 0.00 C ATOM 581 CD LYS A 35 -9.089 11.641 -9.848 1.00 0.00 C ATOM 582 CE LYS A 35 -9.607 12.107 -11.217 1.00 0.00 C ATOM 583 NZ LYS A 35 -10.720 13.067 -11.094 1.00 0.00 N ATOM 0 H LYS A 35 -12.152 7.804 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.568 9.200 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.176 9.070 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.319 10.109 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.922 11.894 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.750 10.856 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.585 12.474 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.343 10.861 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.792 12.568 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.937 11.242 -11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.970 13.431 -12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.545 12.591 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.431 13.857 -10.483 1.00 0.00 H new ATOM 597 N SER A 36 -13.896 10.688 -9.429 1.00 0.00 N ATOM 598 CA SER A 36 -14.970 11.669 -9.372 1.00 0.00 C ATOM 599 C SER A 36 -15.920 11.373 -8.207 1.00 0.00 C ATOM 600 O SER A 36 -16.160 12.253 -7.383 1.00 0.00 O ATOM 601 CB SER A 36 -15.713 11.742 -10.709 1.00 0.00 C ATOM 602 OG SER A 36 -14.805 12.069 -11.742 1.00 0.00 O ATOM 0 H SER A 36 -13.810 10.210 -10.326 1.00 0.00 H new ATOM 0 HA SER A 36 -14.530 12.650 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.192 10.787 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.504 12.491 -10.656 1.00 0.00 H new ATOM 0 HG SER A 36 -14.275 11.278 -11.974 1.00 0.00 H new ATOM 608 N LYS A 37 -16.452 10.150 -8.123 1.00 0.00 N ATOM 609 CA LYS A 37 -17.334 9.749 -7.030 1.00 0.00 C ATOM 610 C LYS A 37 -16.676 9.999 -5.669 1.00 0.00 C ATOM 611 O LYS A 37 -17.242 10.707 -4.837 1.00 0.00 O ATOM 612 CB LYS A 37 -17.760 8.280 -7.187 1.00 0.00 C ATOM 613 CG LYS A 37 -19.090 8.126 -7.940 1.00 0.00 C ATOM 614 CD LYS A 37 -19.025 8.636 -9.387 1.00 0.00 C ATOM 615 CE LYS A 37 -20.359 8.442 -10.117 1.00 0.00 C ATOM 616 NZ LYS A 37 -21.439 9.248 -9.519 1.00 0.00 N ATOM 0 H LYS A 37 -16.282 9.415 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.233 10.364 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.981 7.735 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.851 7.825 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.379 7.075 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.869 8.669 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.760 9.693 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.236 8.109 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.241 8.715 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.636 7.388 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.281 9.207 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.674 8.871 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.125 10.235 -9.427 1.00 0.00 H new ATOM 630 N ILE A 38 -15.485 9.439 -5.447 1.00 0.00 N ATOM 631 CA ILE A 38 -14.743 9.573 -4.200 1.00 0.00 C ATOM 632 C ILE A 38 -14.626 11.050 -3.818 1.00 0.00 C ATOM 633 O ILE A 38 -15.022 11.439 -2.719 1.00 0.00 O ATOM 634 CB ILE A 38 -13.375 8.863 -4.315 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.602 7.339 -4.320 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.415 9.244 -3.176 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.351 6.534 -4.693 1.00 0.00 C ATOM 0 H ILE A 38 -15.004 8.870 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.281 9.080 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.908 9.186 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.943 7.028 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.400 7.101 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.470 8.717 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.237 10.319 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.857 8.966 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.585 5.470 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.021 6.817 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.557 6.742 -3.976 1.00 0.00 H new ATOM 649 N GLU A 39 -14.097 11.879 -4.722 1.00 0.00 N ATOM 650 CA GLU A 39 -13.930 13.306 -4.483 1.00 0.00 C ATOM 651 C GLU A 39 -15.275 13.965 -4.161 1.00 0.00 C ATOM 652 O GLU A 39 -15.385 14.693 -3.177 1.00 0.00 O ATOM 653 CB GLU A 39 -13.256 13.959 -5.694 1.00 0.00 C ATOM 654 CG GLU A 39 -11.781 13.534 -5.787 1.00 0.00 C ATOM 655 CD GLU A 39 -11.087 14.053 -7.046 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.806 14.401 -8.009 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.837 14.073 -7.033 1.00 0.00 O ATOM 0 H GLU A 39 -13.773 11.574 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.286 13.450 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.780 13.674 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.323 15.044 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.248 13.898 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.720 12.446 -5.768 1.00 0.00 H new ATOM 664 N THR A 40 -16.295 13.703 -4.982 1.00 0.00 N ATOM 665 CA THR A 40 -17.634 14.246 -4.797 1.00 0.00 C ATOM 666 C THR A 40 -18.137 13.939 -3.384 1.00 0.00 C ATOM 667 O THR A 40 -18.499 14.854 -2.652 1.00 0.00 O ATOM 668 CB THR A 40 -18.572 13.703 -5.888 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.103 14.122 -7.150 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.007 14.207 -5.746 1.00 0.00 C ATOM 0 H THR A 40 -16.209 13.101 -5.801 1.00 0.00 H new ATOM 0 HA THR A 40 -17.611 15.331 -4.898 1.00 0.00 H new ATOM 0 HB THR A 40 -18.575 12.618 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.360 13.548 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.620 13.789 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.408 13.897 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.019 15.295 -5.811 1.00 0.00 H new ATOM 678 N GLU A 41 -18.141 12.662 -2.996 1.00 0.00 N ATOM 679 CA GLU A 41 -18.570 12.220 -1.677 1.00 0.00 C ATOM 680 C GLU A 41 -17.759 12.919 -0.581 1.00 0.00 C ATOM 681 O GLU A 41 -18.326 13.563 0.302 1.00 0.00 O ATOM 682 CB GLU A 41 -18.408 10.699 -1.588 1.00 0.00 C ATOM 683 CG GLU A 41 -19.438 9.960 -2.447 1.00 0.00 C ATOM 684 CD GLU A 41 -19.146 8.462 -2.493 1.00 0.00 C ATOM 685 OE1 GLU A 41 -19.637 7.763 -1.580 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.428 8.049 -3.430 1.00 0.00 O ATOM 0 H GLU A 41 -17.841 11.898 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.617 12.482 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.404 10.422 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.509 10.384 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.437 10.126 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.430 10.366 -3.459 1.00 0.00 H new ATOM 693 N LEU A 42 -16.431 12.775 -0.648 1.00 0.00 N ATOM 694 CA LEU A 42 -15.486 13.336 0.307 1.00 0.00 C ATOM 695 C LEU A 42 -15.768 14.819 0.544 1.00 0.00 C ATOM 696 O LEU A 42 -15.939 15.245 1.685 1.00 0.00 O ATOM 697 CB LEU A 42 -14.058 13.081 -0.201 1.00 0.00 C ATOM 698 CG LEU A 42 -12.946 13.728 0.642 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.947 13.206 2.082 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.591 13.427 -0.006 1.00 0.00 C ATOM 0 H LEU A 42 -15.976 12.248 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.597 12.848 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.887 12.005 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.980 13.450 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.127 14.802 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.147 13.688 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.905 13.431 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.789 12.127 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.796 13.882 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.440 12.348 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.572 13.836 -1.016 1.00 0.00 H new ATOM 712 N LYS A 43 -15.831 15.603 -0.535 1.00 0.00 N ATOM 713 CA LYS A 43 -16.133 17.021 -0.463 1.00 0.00 C ATOM 714 C LYS A 43 -17.528 17.217 0.140 1.00 0.00 C ATOM 715 O LYS A 43 -17.684 17.923 1.136 1.00 0.00 O ATOM 716 CB LYS A 43 -16.019 17.631 -1.871 1.00 0.00 C ATOM 717 CG LYS A 43 -15.923 19.162 -1.847 1.00 0.00 C ATOM 718 CD LYS A 43 -14.472 19.615 -1.619 1.00 0.00 C ATOM 719 CE LYS A 43 -14.363 21.125 -1.376 1.00 0.00 C ATOM 720 NZ LYS A 43 -14.982 21.914 -2.458 1.00 0.00 N ATOM 0 H LYS A 43 -15.672 15.264 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.421 17.534 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.139 17.224 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.885 17.335 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.292 19.569 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.561 19.558 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.058 19.081 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.869 19.345 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.842 21.374 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.312 21.401 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.838 22.928 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.543 21.661 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.001 21.710 -2.497 1.00 0.00 H new ATOM 734 N ASN A 44 -18.531 16.576 -0.469 1.00 0.00 N ATOM 735 CA ASN A 44 -19.943 16.717 -0.148 1.00 0.00 C ATOM 736 C ASN A 44 -20.216 16.572 1.347 1.00 0.00 C ATOM 737 O ASN A 44 -20.918 17.397 1.930 1.00 0.00 O ATOM 738 CB ASN A 44 -20.779 15.725 -0.958 1.00 0.00 C ATOM 739 CG ASN A 44 -22.251 15.832 -0.587 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.944 16.742 -1.034 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.742 14.909 0.233 1.00 0.00 N ATOM 0 H ASN A 44 -18.367 15.918 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.238 17.729 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.652 15.920 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.426 14.710 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.723 14.943 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.138 14.167 0.586 1.00 0.00 H new ATOM 748 N LYS A 45 -19.688 15.518 1.978 1.00 0.00 N ATOM 749 CA LYS A 45 -19.948 15.315 3.399 1.00 0.00 C ATOM 750 C LYS A 45 -19.392 16.458 4.258 1.00 0.00 C ATOM 751 O LYS A 45 -19.941 16.734 5.321 1.00 0.00 O ATOM 752 CB LYS A 45 -19.482 13.936 3.884 1.00 0.00 C ATOM 753 CG LYS A 45 -17.975 13.694 3.756 1.00 0.00 C ATOM 754 CD LYS A 45 -17.597 12.441 4.554 1.00 0.00 C ATOM 755 CE LYS A 45 -16.150 12.048 4.250 1.00 0.00 C ATOM 756 NZ LYS A 45 -15.701 10.944 5.112 1.00 0.00 N ATOM 0 H LYS A 45 -19.095 14.813 1.539 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.031 15.334 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.769 13.816 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -20.010 13.168 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.702 13.569 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.423 14.557 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.716 12.629 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.267 11.620 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.064 11.753 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.499 12.911 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.842 11.230 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.450 10.710 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.493 10.109 4.527 1.00 0.00 H new ATOM 770 N MET A 46 -18.320 17.124 3.813 1.00 0.00 N ATOM 771 CA MET A 46 -17.781 18.274 4.521 1.00 0.00 C ATOM 772 C MET A 46 -18.627 19.501 4.174 1.00 0.00 C ATOM 773 O MET A 46 -19.346 20.030 5.023 1.00 0.00 O ATOM 774 CB MET A 46 -16.296 18.468 4.178 1.00 0.00 C ATOM 775 CG MET A 46 -15.460 17.254 4.608 1.00 0.00 C ATOM 776 SD MET A 46 -13.662 17.442 4.477 1.00 0.00 S ATOM 777 CE MET A 46 -13.455 17.625 2.692 1.00 0.00 C ATOM 0 H MET A 46 -17.813 16.879 2.963 1.00 0.00 H new ATOM 0 HA MET A 46 -17.830 18.116 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.186 18.626 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.921 19.364 4.672 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.706 17.016 5.643 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.761 16.398 4.004 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.396 17.732 2.458 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.851 16.744 2.188 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.993 18.510 2.352 1.00 0.00 H new ATOM 787 N GLN A 47 -18.564 19.936 2.913 1.00 0.00 N ATOM 788 CA GLN A 47 -19.355 21.035 2.379 1.00 0.00 C ATOM 789 C GLN A 47 -20.243 20.477 1.272 1.00 0.00 C ATOM 790 O GLN A 47 -19.746 19.884 0.317 1.00 0.00 O ATOM 791 CB GLN A 47 -18.456 22.204 1.954 1.00 0.00 C ATOM 792 CG GLN A 47 -17.320 21.861 0.974 1.00 0.00 C ATOM 793 CD GLN A 47 -17.572 22.407 -0.429 1.00 0.00 C ATOM 794 OE1 GLN A 47 -17.034 23.444 -0.801 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.371 21.708 -1.221 1.00 0.00 N ATOM 0 H GLN A 47 -17.943 19.518 2.220 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.008 21.464 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.082 22.971 1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.016 22.642 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.382 22.265 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.203 20.778 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.803 20.849 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.554 22.029 -2.172 1.00 0.00 H new ATOM 804 N GLN A 48 -21.557 20.658 1.414 1.00 0.00 N ATOM 805 CA GLN A 48 -22.574 20.009 0.603 1.00 0.00 C ATOM 806 C GLN A 48 -22.638 20.616 -0.798 1.00 0.00 C ATOM 807 O GLN A 48 -23.575 21.341 -1.132 1.00 0.00 O ATOM 808 CB GLN A 48 -23.917 20.046 1.352 1.00 0.00 C ATOM 809 CG GLN A 48 -23.918 19.191 2.636 1.00 0.00 C ATOM 810 CD GLN A 48 -23.012 19.736 3.743 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.346 20.718 4.395 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.835 19.144 3.926 1.00 0.00 N ATOM 0 H GLN A 48 -21.949 21.281 2.120 1.00 0.00 H new ATOM 0 HA GLN A 48 -22.314 18.962 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.154 21.078 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.706 19.694 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.938 19.123 3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.602 18.178 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -21.583 18.328 3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -21.185 19.506 4.623 1.00 0.00 H new ATOM 821 N LYS A 49 -21.626 20.298 -1.613 1.00 0.00 N ATOM 822 CA LYS A 49 -21.406 20.777 -2.973 1.00 0.00 C ATOM 823 C LYS A 49 -21.071 22.270 -2.956 1.00 0.00 C ATOM 824 O LYS A 49 -19.952 22.659 -3.285 1.00 0.00 O ATOM 825 CB LYS A 49 -22.576 20.421 -3.905 1.00 0.00 C ATOM 826 CG LYS A 49 -22.877 18.915 -3.858 1.00 0.00 C ATOM 827 CD LYS A 49 -23.856 18.479 -4.955 1.00 0.00 C ATOM 828 CE LYS A 49 -25.243 19.109 -4.777 1.00 0.00 C ATOM 829 NZ LYS A 49 -26.203 18.580 -5.762 1.00 0.00 N ATOM 0 H LYS A 49 -20.892 19.655 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.544 20.259 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.463 20.982 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -22.335 20.716 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.946 18.358 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.292 18.661 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.455 18.757 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.948 17.393 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -25.607 18.912 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -25.169 20.191 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.131 19.025 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.866 18.790 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.290 17.550 -5.643 1.00 0.00 H new ATOM 843 N SER A 50 -22.027 23.099 -2.538 1.00 0.00 N ATOM 844 CA SER A 50 -21.779 24.502 -2.261 1.00 0.00 C ATOM 845 C SER A 50 -20.891 24.606 -1.020 1.00 0.00 C ATOM 846 O SER A 50 -21.031 23.810 -0.090 1.00 0.00 O ATOM 847 CB SER A 50 -23.112 25.216 -2.026 1.00 0.00 C ATOM 848 OG SER A 50 -23.933 25.076 -3.170 1.00 0.00 O ATOM 0 H SER A 50 -22.993 22.811 -2.384 1.00 0.00 H new ATOM 0 HA SER A 50 -21.276 24.973 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.612 24.796 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 50 -22.939 26.272 -1.817 1.00 0.00 H new ATOM 0 HG SER A 50 -24.787 25.532 -3.018 1.00 0.00 H new ATOM 854 N GLN A 51 -19.994 25.594 -0.991 1.00 0.00 N ATOM 855 CA GLN A 51 -19.191 25.854 0.191 1.00 0.00 C ATOM 856 C GLN A 51 -20.106 26.313 1.329 1.00 0.00 C ATOM 857 O GLN A 51 -20.964 27.170 1.123 1.00 0.00 O ATOM 858 CB GLN A 51 -18.125 26.914 -0.109 1.00 0.00 C ATOM 859 CG GLN A 51 -16.998 26.861 0.932 1.00 0.00 C ATOM 860 CD GLN A 51 -16.311 28.213 1.078 1.00 0.00 C ATOM 861 OE1 GLN A 51 -15.339 28.507 0.389 1.00 0.00 O ATOM 862 NE2 GLN A 51 -16.812 29.049 1.983 1.00 0.00 N ATOM 0 H GLN A 51 -19.811 26.222 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 51 -18.679 24.940 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -17.714 26.752 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -18.580 27.904 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -17.405 26.552 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.265 26.109 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.621 28.773 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.387 29.966 2.121 1.00 0.00 H new ATOM 871 N LYS A 52 -19.916 25.760 2.529 1.00 0.00 N ATOM 872 CA LYS A 52 -20.574 26.279 3.718 1.00 0.00 C ATOM 873 C LYS A 52 -20.007 27.666 4.042 1.00 0.00 C ATOM 874 O LYS A 52 -18.948 28.052 3.540 1.00 0.00 O ATOM 875 CB LYS A 52 -20.366 25.321 4.898 1.00 0.00 C ATOM 876 CG LYS A 52 -21.086 23.985 4.679 1.00 0.00 C ATOM 877 CD LYS A 52 -20.702 22.912 5.710 1.00 0.00 C ATOM 878 CE LYS A 52 -21.068 23.266 7.160 1.00 0.00 C ATOM 879 NZ LYS A 52 -20.033 24.077 7.826 1.00 0.00 N ATOM 0 H LYS A 52 -19.312 24.955 2.697 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.645 26.365 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.300 25.141 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -20.733 25.786 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -22.163 24.149 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.857 23.617 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.192 21.976 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.628 22.737 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.012 23.810 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.224 22.347 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.071 23.913 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.095 23.806 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.201 25.084 7.629 1.00 0.00 H new ATOM 893 N LYS A 53 -20.699 28.412 4.906 1.00 0.00 N ATOM 894 CA LYS A 53 -20.170 29.654 5.453 1.00 0.00 C ATOM 895 C LYS A 53 -18.878 29.371 6.242 1.00 0.00 C ATOM 896 O LYS A 53 -18.666 28.223 6.639 1.00 0.00 O ATOM 897 CB LYS A 53 -21.241 30.316 6.337 1.00 0.00 C ATOM 898 CG LYS A 53 -21.558 29.506 7.605 1.00 0.00 C ATOM 899 CD LYS A 53 -22.721 30.142 8.373 1.00 0.00 C ATOM 900 CE LYS A 53 -23.011 29.341 9.647 1.00 0.00 C ATOM 901 NZ LYS A 53 -24.134 29.922 10.405 1.00 0.00 N ATOM 0 H LYS A 53 -21.632 28.172 5.241 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.920 30.342 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -20.903 31.312 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -22.155 30.444 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -21.811 28.481 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.676 29.459 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -22.477 31.173 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -23.610 30.172 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.243 28.309 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -22.120 29.318 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -24.304 29.357 11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.902 30.899 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -24.989 29.921 9.814 1.00 0.00 H new ATOM 915 N PRO A 54 -18.035 30.384 6.522 1.00 0.00 N ATOM 916 CA PRO A 54 -16.894 30.276 7.432 1.00 0.00 C ATOM 917 C PRO A 54 -17.310 29.952 8.880 1.00 0.00 C ATOM 918 O PRO A 54 -17.148 30.761 9.791 1.00 0.00 O ATOM 919 CB PRO A 54 -16.157 31.622 7.327 1.00 0.00 C ATOM 920 CG PRO A 54 -16.569 32.152 5.957 1.00 0.00 C ATOM 921 CD PRO A 54 -18.016 31.675 5.851 1.00 0.00 C ATOM 0 HA PRO A 54 -16.250 29.443 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.451 32.303 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.077 31.494 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.493 33.238 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.947 31.747 5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.700 32.378 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.327 31.584 4.810 1.00 0.00 H new ATOM 929 N GLU A 55 -17.858 28.759 9.112 1.00 0.00 N ATOM 930 CA GLU A 55 -18.426 28.359 10.387 1.00 0.00 C ATOM 931 C GLU A 55 -17.308 28.123 11.404 1.00 0.00 C ATOM 932 O GLU A 55 -16.837 26.999 11.571 1.00 0.00 O ATOM 933 CB GLU A 55 -19.318 27.131 10.147 1.00 0.00 C ATOM 934 CG GLU A 55 -20.181 26.775 11.362 1.00 0.00 C ATOM 935 CD GLU A 55 -21.251 25.758 10.980 1.00 0.00 C ATOM 936 OE1 GLU A 55 -20.856 24.639 10.587 1.00 0.00 O ATOM 937 OE2 GLU A 55 -22.442 26.130 11.051 1.00 0.00 O ATOM 0 H GLU A 55 -17.918 28.032 8.399 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.052 29.143 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.965 27.320 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.691 26.277 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.553 26.370 12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.652 27.675 11.757 1.00 0.00 H new TER 944 GLU A 55