USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 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 Single : A 3 SER OG : rot 180:sc= 0.182 USER MOD Single : A 9 GLN : amide:sc= 1.04 K(o=1,f=-0.0041) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.806) 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=-0.54) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -87:sc= 1.46 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= -0.0112 (180deg=-0.0677) USER MOD Single : A 30 THR OG1 : rot 83:sc= 2.48 USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 75:sc= 1.15 USER MOD Single : A 37 LYS NZ :NH3+ -171:sc=-0.00197 (180deg=-0.0765) USER MOD Single : A 40 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 44 ASN : amide:sc= 0.998 K(o=1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -171:sc=-0.00204 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.508 8.371 10.525 1.00 0.00 N ATOM 19 CA ALA A 2 -13.827 7.104 10.278 1.00 0.00 C ATOM 20 C ALA A 2 -14.622 6.217 9.315 1.00 0.00 C ATOM 21 O ALA A 2 -14.047 5.567 8.445 1.00 0.00 O ATOM 22 CB ALA A 2 -13.581 6.385 11.606 1.00 0.00 C ATOM 0 HA ALA A 2 -12.869 7.314 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.072 5.439 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.961 7.010 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.535 6.193 12.098 1.00 0.00 H new ATOM 28 N SER A 3 -15.950 6.215 9.459 1.00 0.00 N ATOM 29 CA SER A 3 -16.882 5.574 8.547 1.00 0.00 C ATOM 30 C SER A 3 -16.610 6.025 7.113 1.00 0.00 C ATOM 31 O SER A 3 -16.235 5.225 6.261 1.00 0.00 O ATOM 32 CB SER A 3 -18.293 5.983 8.981 1.00 0.00 C ATOM 33 OG SER A 3 -18.283 7.369 9.297 1.00 0.00 O ATOM 0 H SER A 3 -16.414 6.676 10.241 1.00 0.00 H new ATOM 0 HA SER A 3 -16.772 4.490 8.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.008 5.781 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.607 5.399 9.846 1.00 0.00 H new ATOM 0 HG SER A 3 -19.180 7.648 9.575 1.00 0.00 H new ATOM 39 N VAL A 4 -16.797 7.320 6.863 1.00 0.00 N ATOM 40 CA VAL A 4 -16.591 7.942 5.563 1.00 0.00 C ATOM 41 C VAL A 4 -15.205 7.587 5.020 1.00 0.00 C ATOM 42 O VAL A 4 -15.087 7.107 3.893 1.00 0.00 O ATOM 43 CB VAL A 4 -16.811 9.463 5.663 1.00 0.00 C ATOM 44 CG1 VAL A 4 -16.505 10.156 4.330 1.00 0.00 C ATOM 45 CG2 VAL A 4 -18.257 9.769 6.072 1.00 0.00 C ATOM 0 H VAL A 4 -17.103 7.979 7.579 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.322 7.555 4.853 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.128 9.845 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.669 11.229 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.467 9.972 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.161 9.760 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -18.396 10.848 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.940 9.360 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.464 9.316 7.042 1.00 0.00 H new ATOM 55 N LEU A 5 -14.157 7.798 5.821 1.00 0.00 N ATOM 56 CA LEU A 5 -12.800 7.438 5.425 1.00 0.00 C ATOM 57 C LEU A 5 -12.738 5.975 4.977 1.00 0.00 C ATOM 58 O LEU A 5 -12.223 5.682 3.900 1.00 0.00 O ATOM 59 CB LEU A 5 -11.802 7.705 6.564 1.00 0.00 C ATOM 60 CG LEU A 5 -11.658 9.189 6.943 1.00 0.00 C ATOM 61 CD1 LEU A 5 -10.710 9.310 8.141 1.00 0.00 C ATOM 62 CD2 LEU A 5 -11.111 10.034 5.786 1.00 0.00 C ATOM 0 H LEU A 5 -14.226 8.217 6.748 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.517 8.066 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.116 7.146 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.825 7.320 6.273 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.651 9.566 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.603 10.359 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.118 8.754 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.734 8.903 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.027 11.074 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.128 9.662 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.788 9.967 4.935 1.00 0.00 H new ATOM 74 N GLU A 6 -13.276 5.057 5.785 1.00 0.00 N ATOM 75 CA GLU A 6 -13.268 3.639 5.462 1.00 0.00 C ATOM 76 C GLU A 6 -14.023 3.369 4.157 1.00 0.00 C ATOM 77 O GLU A 6 -13.528 2.637 3.305 1.00 0.00 O ATOM 78 CB GLU A 6 -13.827 2.821 6.637 1.00 0.00 C ATOM 79 CG GLU A 6 -13.670 1.307 6.425 1.00 0.00 C ATOM 80 CD GLU A 6 -12.205 0.893 6.306 1.00 0.00 C ATOM 81 OE1 GLU A 6 -11.574 0.723 7.372 1.00 0.00 O ATOM 82 OE2 GLU A 6 -11.731 0.775 5.154 1.00 0.00 O ATOM 0 H GLU A 6 -13.725 5.280 6.674 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.238 3.321 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.315 3.112 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.882 3.059 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.130 0.775 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.205 1.010 5.523 1.00 0.00 H new ATOM 89 N GLU A 7 -15.209 3.953 3.981 1.00 0.00 N ATOM 90 CA GLU A 7 -15.990 3.813 2.756 1.00 0.00 C ATOM 91 C GLU A 7 -15.146 4.227 1.543 1.00 0.00 C ATOM 92 O GLU A 7 -15.023 3.478 0.573 1.00 0.00 O ATOM 93 CB GLU A 7 -17.269 4.658 2.850 1.00 0.00 C ATOM 94 CG GLU A 7 -18.253 4.122 3.901 1.00 0.00 C ATOM 95 CD GLU A 7 -19.316 5.162 4.252 1.00 0.00 C ATOM 96 OE1 GLU A 7 -20.025 5.587 3.313 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.394 5.522 5.447 1.00 0.00 O ATOM 0 H GLU A 7 -15.655 4.538 4.688 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.278 2.769 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.004 5.686 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.759 4.680 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.735 3.220 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.708 3.839 4.801 1.00 0.00 H new ATOM 104 N LEU A 8 -14.560 5.425 1.600 1.00 0.00 N ATOM 105 CA LEU A 8 -13.741 5.944 0.512 1.00 0.00 C ATOM 106 C LEU A 8 -12.530 5.032 0.269 1.00 0.00 C ATOM 107 O LEU A 8 -12.217 4.720 -0.876 1.00 0.00 O ATOM 108 CB LEU A 8 -13.322 7.392 0.804 1.00 0.00 C ATOM 109 CG LEU A 8 -14.511 8.363 0.928 1.00 0.00 C ATOM 110 CD1 LEU A 8 -14.005 9.669 1.546 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.176 8.670 -0.419 1.00 0.00 C ATOM 0 H LEU A 8 -14.641 6.056 2.397 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.330 5.952 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.746 7.416 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.662 7.738 0.009 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.265 7.886 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.833 10.371 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.585 9.466 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.236 10.101 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.006 9.359 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.447 9.124 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.548 7.745 -0.860 1.00 0.00 H new ATOM 123 N GLN A 9 -11.863 4.584 1.336 1.00 0.00 N ATOM 124 CA GLN A 9 -10.740 3.656 1.252 1.00 0.00 C ATOM 125 C GLN A 9 -11.155 2.348 0.569 1.00 0.00 C ATOM 126 O GLN A 9 -10.452 1.848 -0.306 1.00 0.00 O ATOM 127 CB GLN A 9 -10.189 3.403 2.661 1.00 0.00 C ATOM 128 CG GLN A 9 -8.963 2.481 2.645 1.00 0.00 C ATOM 129 CD GLN A 9 -8.372 2.326 4.040 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.237 2.718 4.288 1.00 0.00 O ATOM 131 NE2 GLN A 9 -9.131 1.760 4.972 1.00 0.00 N ATOM 0 H GLN A 9 -12.092 4.860 2.291 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.954 4.097 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.921 4.354 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.968 2.958 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.246 1.503 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.209 2.886 1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.072 1.442 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.773 1.643 5.920 1.00 0.00 H new ATOM 140 N LYS A 10 -12.289 1.779 0.976 1.00 0.00 N ATOM 141 CA LYS A 10 -12.834 0.559 0.403 1.00 0.00 C ATOM 142 C LYS A 10 -13.070 0.774 -1.094 1.00 0.00 C ATOM 143 O LYS A 10 -12.611 -0.016 -1.919 1.00 0.00 O ATOM 144 CB LYS A 10 -14.095 0.176 1.195 1.00 0.00 C ATOM 145 CG LYS A 10 -14.731 -1.174 0.827 1.00 0.00 C ATOM 146 CD LYS A 10 -15.562 -1.191 -0.465 1.00 0.00 C ATOM 147 CE LYS A 10 -16.678 -0.137 -0.481 1.00 0.00 C ATOM 148 NZ LYS A 10 -17.588 -0.342 -1.621 1.00 0.00 N ATOM 0 H LYS A 10 -12.862 2.164 1.727 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.144 -0.281 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.845 0.161 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.841 0.958 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.937 -1.915 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.370 -1.490 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.902 -1.024 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.003 -2.180 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.241 -0.186 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.240 0.860 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.192 0.496 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.032 -0.491 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.184 -1.176 -1.444 1.00 0.00 H new ATOM 162 N ASP A 11 -13.756 1.861 -1.453 1.00 0.00 N ATOM 163 CA ASP A 11 -13.999 2.205 -2.849 1.00 0.00 C ATOM 164 C ASP A 11 -12.678 2.295 -3.628 1.00 0.00 C ATOM 165 O ASP A 11 -12.518 1.659 -4.671 1.00 0.00 O ATOM 166 CB ASP A 11 -14.798 3.510 -2.918 1.00 0.00 C ATOM 167 CG ASP A 11 -15.197 3.824 -4.352 1.00 0.00 C ATOM 168 OD1 ASP A 11 -14.356 4.432 -5.046 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.326 3.443 -4.726 1.00 0.00 O ATOM 0 H ASP A 11 -14.155 2.522 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.588 1.419 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.690 3.429 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.202 4.328 -2.514 1.00 0.00 H new ATOM 174 N LEU A 12 -11.721 3.059 -3.092 1.00 0.00 N ATOM 175 CA LEU A 12 -10.369 3.187 -3.622 1.00 0.00 C ATOM 176 C LEU A 12 -9.756 1.803 -3.862 1.00 0.00 C ATOM 177 O LEU A 12 -9.237 1.529 -4.943 1.00 0.00 O ATOM 178 CB LEU A 12 -9.527 4.062 -2.680 1.00 0.00 C ATOM 179 CG LEU A 12 -8.071 4.254 -3.142 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.622 5.693 -2.865 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.135 3.296 -2.392 1.00 0.00 C ATOM 0 H LEU A 12 -11.875 3.619 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.393 3.685 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.001 5.039 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.526 3.613 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.024 4.044 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.591 5.822 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.266 6.386 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.690 5.896 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.111 3.447 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.194 3.493 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.434 2.267 -2.588 1.00 0.00 H new ATOM 193 N GLU A 13 -9.821 0.921 -2.863 1.00 0.00 N ATOM 194 CA GLU A 13 -9.298 -0.429 -2.967 1.00 0.00 C ATOM 195 C GLU A 13 -9.964 -1.174 -4.128 1.00 0.00 C ATOM 196 O GLU A 13 -9.270 -1.772 -4.948 1.00 0.00 O ATOM 197 CB GLU A 13 -9.461 -1.158 -1.627 1.00 0.00 C ATOM 198 CG GLU A 13 -8.700 -2.490 -1.613 1.00 0.00 C ATOM 199 CD GLU A 13 -8.821 -3.171 -0.255 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.921 -3.700 0.015 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.820 -3.137 0.492 1.00 0.00 O ATOM 0 H GLU A 13 -10.241 1.131 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.231 -0.392 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.098 -0.522 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.519 -1.341 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.093 -3.146 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.649 -2.316 -1.845 1.00 0.00 H new ATOM 208 N GLU A 14 -11.298 -1.134 -4.218 1.00 0.00 N ATOM 209 CA GLU A 14 -12.010 -1.772 -5.320 1.00 0.00 C ATOM 210 C GLU A 14 -11.484 -1.276 -6.671 1.00 0.00 C ATOM 211 O GLU A 14 -11.103 -2.088 -7.516 1.00 0.00 O ATOM 212 CB GLU A 14 -13.526 -1.562 -5.196 1.00 0.00 C ATOM 213 CG GLU A 14 -14.105 -2.360 -4.020 1.00 0.00 C ATOM 214 CD GLU A 14 -15.605 -2.130 -3.853 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.017 -0.954 -3.950 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.314 -3.131 -3.610 1.00 0.00 O ATOM 0 H GLU A 14 -11.901 -0.667 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.824 -2.845 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.738 -0.502 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.015 -1.868 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.917 -3.422 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.591 -2.076 -3.102 1.00 0.00 H new ATOM 223 N VAL A 15 -11.443 0.045 -6.889 1.00 0.00 N ATOM 224 CA VAL A 15 -10.934 0.541 -8.166 1.00 0.00 C ATOM 225 C VAL A 15 -9.469 0.149 -8.373 1.00 0.00 C ATOM 226 O VAL A 15 -9.101 -0.185 -9.492 1.00 0.00 O ATOM 227 CB VAL A 15 -11.210 2.036 -8.409 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.584 2.954 -7.361 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.715 2.464 -9.798 1.00 0.00 C ATOM 0 H VAL A 15 -11.743 0.760 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.509 0.038 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.292 2.144 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.821 3.991 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.981 2.707 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.502 2.820 -7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.921 3.524 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.642 2.289 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.231 1.883 -10.563 1.00 0.00 H new ATOM 239 N LYS A 16 -8.635 0.151 -7.331 1.00 0.00 N ATOM 240 CA LYS A 16 -7.252 -0.294 -7.446 1.00 0.00 C ATOM 241 C LYS A 16 -7.205 -1.742 -7.958 1.00 0.00 C ATOM 242 O LYS A 16 -6.553 -2.036 -8.959 1.00 0.00 O ATOM 243 CB LYS A 16 -6.550 -0.126 -6.090 1.00 0.00 C ATOM 244 CG LYS A 16 -5.026 -0.251 -6.202 1.00 0.00 C ATOM 245 CD LYS A 16 -4.362 -0.307 -4.819 1.00 0.00 C ATOM 246 CE LYS A 16 -4.690 0.919 -3.956 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.898 0.923 -2.713 1.00 0.00 N ATOM 0 H LYS A 16 -8.899 0.458 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.718 0.317 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.802 0.848 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.924 -0.878 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.774 -1.150 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.631 0.596 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.687 -1.209 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.282 -0.382 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.489 1.829 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.753 0.922 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.140 1.763 -2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.109 0.065 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.885 0.944 -2.947 1.00 0.00 H new ATOM 261 N VAL A 17 -7.927 -2.641 -7.288 1.00 0.00 N ATOM 262 CA VAL A 17 -8.022 -4.045 -7.665 1.00 0.00 C ATOM 263 C VAL A 17 -8.448 -4.177 -9.132 1.00 0.00 C ATOM 264 O VAL A 17 -7.799 -4.884 -9.907 1.00 0.00 O ATOM 265 CB VAL A 17 -8.972 -4.768 -6.691 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.380 -6.157 -7.196 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.293 -4.931 -5.323 1.00 0.00 C ATOM 0 H VAL A 17 -8.469 -2.407 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.047 -4.525 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.869 -4.154 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.049 -6.625 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.890 -6.060 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.491 -6.775 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.970 -5.443 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.381 -5.517 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.045 -3.949 -4.920 1.00 0.00 H new ATOM 277 N LEU A 18 -9.530 -3.499 -9.523 1.00 0.00 N ATOM 278 CA LEU A 18 -10.010 -3.557 -10.900 1.00 0.00 C ATOM 279 C LEU A 18 -8.969 -3.008 -11.877 1.00 0.00 C ATOM 280 O LEU A 18 -8.687 -3.641 -12.888 1.00 0.00 O ATOM 281 CB LEU A 18 -11.347 -2.819 -11.033 1.00 0.00 C ATOM 282 CG LEU A 18 -12.494 -3.525 -10.289 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.712 -2.599 -10.270 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.889 -4.850 -10.956 1.00 0.00 C ATOM 0 H LEU A 18 -10.086 -2.907 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.173 -4.603 -11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.238 -1.806 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.605 -2.731 -12.088 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.151 -3.749 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.533 -3.088 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.456 -1.671 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.016 -2.377 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.702 -5.311 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.216 -4.660 -11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.030 -5.521 -10.969 1.00 0.00 H new ATOM 296 N LEU A 19 -8.390 -1.842 -11.581 1.00 0.00 N ATOM 297 CA LEU A 19 -7.317 -1.227 -12.353 1.00 0.00 C ATOM 298 C LEU A 19 -6.195 -2.243 -12.591 1.00 0.00 C ATOM 299 O LEU A 19 -5.740 -2.396 -13.719 1.00 0.00 O ATOM 300 CB LEU A 19 -6.854 0.050 -11.631 1.00 0.00 C ATOM 301 CG LEU A 19 -5.581 0.699 -12.202 1.00 0.00 C ATOM 302 CD1 LEU A 19 -5.774 2.213 -12.344 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.390 0.433 -11.275 1.00 0.00 C ATOM 0 H LEU A 19 -8.666 -1.286 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.665 -0.928 -13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.662 0.781 -11.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.682 -0.187 -10.581 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.386 0.264 -13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.866 2.659 -12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.608 2.412 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.986 2.646 -11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.495 0.897 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.594 0.854 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.232 -0.642 -11.184 1.00 0.00 H new ATOM 315 N GLU A 20 -5.761 -2.955 -11.547 1.00 0.00 N ATOM 316 CA GLU A 20 -4.743 -3.990 -11.682 1.00 0.00 C ATOM 317 C GLU A 20 -5.226 -5.122 -12.600 1.00 0.00 C ATOM 318 O GLU A 20 -4.594 -5.416 -13.614 1.00 0.00 O ATOM 319 CB GLU A 20 -4.352 -4.520 -10.294 1.00 0.00 C ATOM 320 CG GLU A 20 -3.603 -3.466 -9.466 1.00 0.00 C ATOM 321 CD GLU A 20 -3.411 -3.929 -8.026 1.00 0.00 C ATOM 322 OE1 GLU A 20 -4.365 -3.752 -7.238 1.00 0.00 O ATOM 323 OE2 GLU A 20 -2.317 -4.462 -7.743 1.00 0.00 O ATOM 0 H GLU A 20 -6.104 -2.829 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.858 -3.555 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.249 -4.831 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.725 -5.405 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.632 -3.267 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.159 -2.528 -9.478 1.00 0.00 H new ATOM 330 N LYS A 21 -6.317 -5.794 -12.226 1.00 0.00 N ATOM 331 CA LYS A 21 -6.768 -7.001 -12.913 1.00 0.00 C ATOM 332 C LYS A 21 -7.253 -6.690 -14.332 1.00 0.00 C ATOM 333 O LYS A 21 -6.758 -7.223 -15.330 1.00 0.00 O ATOM 334 CB LYS A 21 -7.887 -7.661 -12.095 1.00 0.00 C ATOM 335 CG LYS A 21 -7.347 -8.264 -10.793 1.00 0.00 C ATOM 336 CD LYS A 21 -8.507 -8.799 -9.945 1.00 0.00 C ATOM 337 CE LYS A 21 -8.016 -9.759 -8.852 1.00 0.00 C ATOM 338 NZ LYS A 21 -6.972 -9.159 -8.001 1.00 0.00 N ATOM 0 H LYS A 21 -6.908 -5.517 -11.442 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.925 -7.687 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.655 -6.923 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.363 -8.441 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.648 -9.069 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.795 -7.509 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.037 -7.965 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.221 -9.314 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.860 -10.058 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.626 -10.664 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.150 -9.407 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.040 -9.522 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.989 -8.125 -8.108 1.00 0.00 H new ATOM 352 N SER A 22 -8.256 -5.828 -14.430 1.00 0.00 N ATOM 353 CA SER A 22 -8.897 -5.476 -15.678 1.00 0.00 C ATOM 354 C SER A 22 -8.083 -4.403 -16.402 1.00 0.00 C ATOM 355 O SER A 22 -8.659 -3.389 -16.786 1.00 0.00 O ATOM 356 CB SER A 22 -10.322 -4.997 -15.378 1.00 0.00 C ATOM 357 OG SER A 22 -10.988 -5.921 -14.538 1.00 0.00 O ATOM 0 H SER A 22 -8.651 -5.346 -13.623 1.00 0.00 H new ATOM 0 HA SER A 22 -8.949 -6.343 -16.336 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.290 -4.018 -14.899 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.876 -4.878 -16.309 1.00 0.00 H new ATOM 0 HG SER A 22 -11.896 -5.601 -14.354 1.00 0.00 H new ATOM 363 N THR A 23 -6.781 -4.640 -16.623 1.00 0.00 N ATOM 364 CA THR A 23 -5.785 -3.761 -17.250 1.00 0.00 C ATOM 365 C THR A 23 -6.043 -3.518 -18.754 1.00 0.00 C ATOM 366 O THR A 23 -5.115 -3.465 -19.559 1.00 0.00 O ATOM 367 CB THR A 23 -4.375 -4.351 -16.978 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.462 -5.642 -16.389 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.513 -3.452 -16.092 1.00 0.00 C ATOM 0 H THR A 23 -6.364 -5.528 -16.343 1.00 0.00 H new ATOM 0 HA THR A 23 -5.861 -2.770 -16.802 1.00 0.00 H new ATOM 0 HB THR A 23 -3.892 -4.423 -17.953 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.523 -5.554 -15.415 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.540 -3.918 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.379 -2.485 -16.576 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.004 -3.311 -15.129 1.00 0.00 H new ATOM 377 N ARG A 24 -7.308 -3.377 -19.144 1.00 0.00 N ATOM 378 CA ARG A 24 -7.740 -3.095 -20.495 1.00 0.00 C ATOM 379 C ARG A 24 -7.817 -1.569 -20.669 1.00 0.00 C ATOM 380 O ARG A 24 -7.451 -0.801 -19.778 1.00 0.00 O ATOM 381 CB ARG A 24 -9.104 -3.772 -20.735 1.00 0.00 C ATOM 382 CG ARG A 24 -9.287 -5.188 -20.147 1.00 0.00 C ATOM 383 CD ARG A 24 -8.412 -6.291 -20.764 1.00 0.00 C ATOM 384 NE ARG A 24 -7.017 -6.253 -20.303 1.00 0.00 N ATOM 385 CZ ARG A 24 -6.553 -6.682 -19.116 1.00 0.00 C ATOM 386 NH1 ARG A 24 -7.364 -7.216 -18.196 1.00 0.00 N ATOM 387 NH2 ARG A 24 -5.254 -6.540 -18.846 1.00 0.00 N ATOM 0 H ARG A 24 -8.088 -3.461 -18.492 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.038 -3.490 -21.229 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.881 -3.129 -20.322 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.273 -3.825 -21.810 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.082 -5.145 -19.077 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.332 -5.475 -20.260 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.841 -7.263 -20.522 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.431 -6.196 -21.850 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.331 -5.862 -20.949 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.362 -7.306 -18.387 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.984 -7.533 -17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.634 -6.113 -19.534 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.881 -6.859 -17.952 1.00 0.00 H new ATOM 401 N LYS A 25 -8.389 -1.121 -21.789 1.00 0.00 N ATOM 402 CA LYS A 25 -8.650 0.288 -22.074 1.00 0.00 C ATOM 403 C LYS A 25 -9.393 0.988 -20.930 1.00 0.00 C ATOM 404 O LYS A 25 -9.231 2.190 -20.726 1.00 0.00 O ATOM 405 CB LYS A 25 -9.493 0.362 -23.357 1.00 0.00 C ATOM 406 CG LYS A 25 -9.646 1.783 -23.915 1.00 0.00 C ATOM 407 CD LYS A 25 -10.482 1.826 -25.205 1.00 0.00 C ATOM 408 CE LYS A 25 -9.873 1.058 -26.386 1.00 0.00 C ATOM 409 NZ LYS A 25 -8.505 1.512 -26.696 1.00 0.00 N ATOM 0 H LYS A 25 -8.690 -1.744 -22.539 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.696 0.801 -22.193 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.036 -0.270 -24.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.483 -0.048 -23.155 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.115 2.416 -23.162 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.658 2.200 -24.113 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.471 1.419 -24.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.621 2.867 -25.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.858 -0.007 -26.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.505 1.185 -27.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.170 1.040 -27.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.506 2.542 -26.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.873 1.274 -25.905 1.00 0.00 H new ATOM 423 N ARG A 26 -10.237 0.250 -20.203 1.00 0.00 N ATOM 424 CA ARG A 26 -11.164 0.831 -19.247 1.00 0.00 C ATOM 425 C ARG A 26 -10.501 1.612 -18.113 1.00 0.00 C ATOM 426 O ARG A 26 -11.180 2.417 -17.480 1.00 0.00 O ATOM 427 CB ARG A 26 -12.125 -0.234 -18.704 1.00 0.00 C ATOM 428 CG ARG A 26 -11.453 -1.274 -17.786 1.00 0.00 C ATOM 429 CD ARG A 26 -12.506 -2.007 -16.948 1.00 0.00 C ATOM 430 NE ARG A 26 -13.198 -1.060 -16.069 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.357 -1.264 -15.437 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.905 -2.483 -15.379 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.948 -0.208 -14.876 1.00 0.00 N ATOM 0 H ARG A 26 -10.291 -0.767 -20.266 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.732 1.575 -19.806 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.925 0.260 -18.152 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.590 -0.751 -19.543 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.894 -1.991 -18.387 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.736 -0.780 -17.130 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.225 -2.499 -17.603 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.030 -2.787 -16.353 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.750 -0.155 -15.926 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.437 -3.274 -15.821 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.791 -2.621 -14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.514 0.713 -14.939 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.834 -0.321 -14.384 1.00 0.00 H new ATOM 447 N LEU A 27 -9.223 1.354 -17.809 1.00 0.00 N ATOM 448 CA LEU A 27 -8.541 1.944 -16.661 1.00 0.00 C ATOM 449 C LEU A 27 -8.750 3.449 -16.561 1.00 0.00 C ATOM 450 O LEU A 27 -9.236 3.919 -15.539 1.00 0.00 O ATOM 451 CB LEU A 27 -7.044 1.620 -16.692 1.00 0.00 C ATOM 452 CG LEU A 27 -6.690 0.374 -15.883 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.573 -0.824 -16.216 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.213 0.042 -16.119 1.00 0.00 C ATOM 0 H LEU A 27 -8.635 0.727 -18.358 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.988 1.497 -15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.729 1.478 -17.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.485 2.471 -16.303 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.869 0.592 -14.830 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.272 -1.678 -15.609 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.614 -0.578 -16.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.465 -1.073 -17.272 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.944 -0.846 -15.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.047 -0.145 -17.180 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.596 0.881 -15.798 1.00 0.00 H new ATOM 466 N ARG A 28 -8.374 4.211 -17.590 1.00 0.00 N ATOM 467 CA ARG A 28 -8.430 5.663 -17.513 1.00 0.00 C ATOM 468 C ARG A 28 -9.873 6.109 -17.267 1.00 0.00 C ATOM 469 O ARG A 28 -10.131 6.940 -16.394 1.00 0.00 O ATOM 470 CB ARG A 28 -7.868 6.316 -18.781 1.00 0.00 C ATOM 471 CG ARG A 28 -6.393 5.990 -19.084 1.00 0.00 C ATOM 472 CD ARG A 28 -6.103 4.578 -19.632 1.00 0.00 C ATOM 473 NE ARG A 28 -7.143 4.110 -20.560 1.00 0.00 N ATOM 474 CZ ARG A 28 -7.505 4.722 -21.695 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.732 5.657 -22.255 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.675 4.390 -22.239 1.00 0.00 N ATOM 0 H ARG A 28 -8.031 3.846 -18.478 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.807 5.988 -16.680 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.475 6.005 -19.631 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.974 7.397 -18.692 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.023 6.719 -19.805 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.818 6.126 -18.168 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.140 4.580 -20.142 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.021 3.879 -18.800 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.630 3.247 -20.319 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.848 5.917 -21.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.026 6.111 -23.120 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.265 3.689 -21.791 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.981 4.837 -23.103 1.00 0.00 H new ATOM 490 N ASP A 29 -10.812 5.538 -18.027 1.00 0.00 N ATOM 491 CA ASP A 29 -12.232 5.856 -17.920 1.00 0.00 C ATOM 492 C ASP A 29 -12.712 5.626 -16.483 1.00 0.00 C ATOM 493 O ASP A 29 -13.279 6.510 -15.836 1.00 0.00 O ATOM 494 CB ASP A 29 -13.034 4.983 -18.900 1.00 0.00 C ATOM 495 CG ASP A 29 -12.476 5.020 -20.319 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.438 4.354 -20.534 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.088 5.713 -21.159 1.00 0.00 O ATOM 0 H ASP A 29 -10.603 4.837 -18.738 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.387 6.904 -18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.037 3.953 -18.543 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.071 5.319 -18.914 1.00 0.00 H new ATOM 502 N THR A 30 -12.462 4.412 -15.996 1.00 0.00 N ATOM 503 CA THR A 30 -12.877 3.943 -14.686 1.00 0.00 C ATOM 504 C THR A 30 -12.258 4.817 -13.599 1.00 0.00 C ATOM 505 O THR A 30 -12.963 5.277 -12.707 1.00 0.00 O ATOM 506 CB THR A 30 -12.492 2.464 -14.533 1.00 0.00 C ATOM 507 OG1 THR A 30 -13.068 1.731 -15.595 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.996 1.874 -13.215 1.00 0.00 C ATOM 0 H THR A 30 -11.947 3.708 -16.525 1.00 0.00 H new ATOM 0 HA THR A 30 -13.959 4.020 -14.582 1.00 0.00 H new ATOM 0 HB THR A 30 -11.404 2.400 -14.545 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.500 1.806 -16.390 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.701 0.827 -13.149 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.564 2.426 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.083 1.948 -13.175 1.00 0.00 H new ATOM 516 N LEU A 31 -10.949 5.058 -13.682 1.00 0.00 N ATOM 517 CA LEU A 31 -10.206 5.885 -12.746 1.00 0.00 C ATOM 518 C LEU A 31 -10.831 7.274 -12.691 1.00 0.00 C ATOM 519 O LEU A 31 -11.171 7.744 -11.611 1.00 0.00 O ATOM 520 CB LEU A 31 -8.724 5.908 -13.159 1.00 0.00 C ATOM 521 CG LEU A 31 -7.756 6.683 -12.245 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.807 8.204 -12.447 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.930 6.328 -10.764 1.00 0.00 C ATOM 0 H LEU A 31 -10.366 4.671 -14.424 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.254 5.474 -11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.375 4.878 -13.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.658 6.333 -14.161 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.763 6.355 -12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.100 8.685 -11.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.544 8.443 -13.477 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.814 8.565 -12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.223 6.903 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.947 6.564 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.744 5.264 -10.621 1.00 0.00 H new ATOM 535 N THR A 32 -11.004 7.927 -13.844 1.00 0.00 N ATOM 536 CA THR A 32 -11.581 9.264 -13.901 1.00 0.00 C ATOM 537 C THR A 32 -12.961 9.280 -13.236 1.00 0.00 C ATOM 538 O THR A 32 -13.229 10.106 -12.359 1.00 0.00 O ATOM 539 CB THR A 32 -11.635 9.751 -15.358 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.350 9.655 -15.937 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.081 11.214 -15.442 1.00 0.00 C ATOM 0 H THR A 32 -10.749 7.544 -14.754 1.00 0.00 H new ATOM 0 HA THR A 32 -10.948 9.956 -13.345 1.00 0.00 H new ATOM 0 HB THR A 32 -12.352 9.125 -15.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.186 8.731 -16.219 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.108 11.527 -16.486 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.075 11.317 -15.006 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.378 11.841 -14.894 1.00 0.00 H new ATOM 549 N SER A 33 -13.837 8.357 -13.647 1.00 0.00 N ATOM 550 CA SER A 33 -15.174 8.251 -13.082 1.00 0.00 C ATOM 551 C SER A 33 -15.094 8.099 -11.559 1.00 0.00 C ATOM 552 O SER A 33 -15.633 8.918 -10.813 1.00 0.00 O ATOM 553 CB SER A 33 -15.921 7.081 -13.735 1.00 0.00 C ATOM 554 OG SER A 33 -17.256 7.036 -13.270 1.00 0.00 O ATOM 0 H SER A 33 -13.636 7.671 -14.374 1.00 0.00 H new ATOM 0 HA SER A 33 -15.733 9.163 -13.290 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.909 7.192 -14.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.416 6.143 -13.505 1.00 0.00 H new ATOM 0 HG SER A 33 -17.725 6.287 -13.694 1.00 0.00 H new ATOM 560 N GLU A 34 -14.400 7.058 -11.095 1.00 0.00 N ATOM 561 CA GLU A 34 -14.343 6.736 -9.683 1.00 0.00 C ATOM 562 C GLU A 34 -13.744 7.898 -8.893 1.00 0.00 C ATOM 563 O GLU A 34 -14.282 8.265 -7.858 1.00 0.00 O ATOM 564 CB GLU A 34 -13.574 5.429 -9.449 1.00 0.00 C ATOM 565 CG GLU A 34 -13.867 4.882 -8.044 1.00 0.00 C ATOM 566 CD GLU A 34 -15.224 4.185 -7.958 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.216 4.896 -7.689 1.00 0.00 O ATOM 568 OE2 GLU A 34 -15.241 2.956 -8.183 1.00 0.00 O ATOM 0 H GLU A 34 -13.868 6.423 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.359 6.580 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.859 4.692 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.504 5.603 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.083 4.180 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.837 5.701 -7.325 1.00 0.00 H new ATOM 575 N LYS A 35 -12.655 8.496 -9.379 1.00 0.00 N ATOM 576 CA LYS A 35 -12.057 9.673 -8.765 1.00 0.00 C ATOM 577 C LYS A 35 -13.111 10.771 -8.604 1.00 0.00 C ATOM 578 O LYS A 35 -13.249 11.343 -7.523 1.00 0.00 O ATOM 579 CB LYS A 35 -10.853 10.131 -9.599 1.00 0.00 C ATOM 580 CG LYS A 35 -10.166 11.363 -8.993 1.00 0.00 C ATOM 581 CD LYS A 35 -8.902 11.760 -9.769 1.00 0.00 C ATOM 582 CE LYS A 35 -7.731 10.805 -9.502 1.00 0.00 C ATOM 583 NZ LYS A 35 -6.523 11.226 -10.231 1.00 0.00 N ATOM 0 H LYS A 35 -12.164 8.173 -10.213 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.692 9.432 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.134 9.316 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.181 10.361 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.864 12.200 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.904 11.158 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.122 11.772 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.612 12.774 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.521 10.773 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.007 9.794 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.748 10.562 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.719 11.233 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.248 12.181 -9.925 1.00 0.00 H new ATOM 597 N SER A 36 -13.865 11.054 -9.670 1.00 0.00 N ATOM 598 CA SER A 36 -14.931 12.043 -9.609 1.00 0.00 C ATOM 599 C SER A 36 -15.927 11.694 -8.496 1.00 0.00 C ATOM 600 O SER A 36 -16.205 12.534 -7.639 1.00 0.00 O ATOM 601 CB SER A 36 -15.614 12.189 -10.974 1.00 0.00 C ATOM 602 OG SER A 36 -14.651 12.463 -11.972 1.00 0.00 O ATOM 0 H SER A 36 -13.753 10.610 -10.581 1.00 0.00 H new ATOM 0 HA SER A 36 -14.498 13.013 -9.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.153 11.274 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.350 12.992 -10.937 1.00 0.00 H new ATOM 0 HG SER A 36 -14.152 11.645 -12.178 1.00 0.00 H new ATOM 608 N LYS A 37 -16.452 10.463 -8.488 1.00 0.00 N ATOM 609 CA LYS A 37 -17.366 10.000 -7.446 1.00 0.00 C ATOM 610 C LYS A 37 -16.749 10.187 -6.053 1.00 0.00 C ATOM 611 O LYS A 37 -17.348 10.841 -5.203 1.00 0.00 O ATOM 612 CB LYS A 37 -17.782 8.535 -7.672 1.00 0.00 C ATOM 613 CG LYS A 37 -18.966 8.353 -8.635 1.00 0.00 C ATOM 614 CD LYS A 37 -18.594 8.560 -10.109 1.00 0.00 C ATOM 615 CE LYS A 37 -19.801 8.403 -11.043 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.355 7.038 -11.005 1.00 0.00 N ATOM 0 H LYS A 37 -16.254 9.764 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.267 10.610 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.926 7.983 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.040 8.091 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.375 7.351 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.755 9.056 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.166 9.554 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.824 7.842 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.575 9.116 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.504 8.645 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.066 6.931 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.590 6.349 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.800 6.870 -10.080 1.00 0.00 H new ATOM 630 N ILE A 38 -15.561 9.622 -5.818 1.00 0.00 N ATOM 631 CA ILE A 38 -14.818 9.726 -4.565 1.00 0.00 C ATOM 632 C ILE A 38 -14.792 11.182 -4.104 1.00 0.00 C ATOM 633 O ILE A 38 -15.216 11.477 -2.989 1.00 0.00 O ATOM 634 CB ILE A 38 -13.397 9.136 -4.729 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.469 7.598 -4.802 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.451 9.543 -3.585 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.154 6.968 -5.280 1.00 0.00 C ATOM 0 H ILE A 38 -15.077 9.062 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.316 9.141 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.992 9.543 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.720 7.203 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.274 7.307 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.468 9.101 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.361 10.629 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.853 9.187 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.261 5.884 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.914 7.339 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.352 7.233 -4.591 1.00 0.00 H new ATOM 649 N GLU A 39 -14.308 12.090 -4.956 1.00 0.00 N ATOM 650 CA GLU A 39 -14.216 13.505 -4.626 1.00 0.00 C ATOM 651 C GLU A 39 -15.595 14.083 -4.294 1.00 0.00 C ATOM 652 O GLU A 39 -15.760 14.739 -3.268 1.00 0.00 O ATOM 653 CB GLU A 39 -13.544 14.260 -5.778 1.00 0.00 C ATOM 654 CG GLU A 39 -12.050 13.907 -5.858 1.00 0.00 C ATOM 655 CD GLU A 39 -11.359 14.518 -7.075 1.00 0.00 C ATOM 656 OE1 GLU A 39 -12.000 15.353 -7.749 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.190 14.138 -7.307 1.00 0.00 O ATOM 0 H GLU A 39 -13.971 11.860 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.601 13.624 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.033 14.009 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.662 15.334 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.551 14.252 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.939 12.823 -5.890 1.00 0.00 H new ATOM 664 N THR A 40 -16.585 13.837 -5.154 1.00 0.00 N ATOM 665 CA THR A 40 -17.951 14.322 -4.980 1.00 0.00 C ATOM 666 C THR A 40 -18.503 13.922 -3.604 1.00 0.00 C ATOM 667 O THR A 40 -19.027 14.763 -2.866 1.00 0.00 O ATOM 668 CB THR A 40 -18.820 13.792 -6.134 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.301 14.252 -7.364 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.274 14.250 -6.048 1.00 0.00 C ATOM 0 H THR A 40 -16.456 13.287 -6.003 1.00 0.00 H new ATOM 0 HA THR A 40 -17.964 15.411 -5.011 1.00 0.00 H new ATOM 0 HB THR A 40 -18.798 12.705 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.621 13.625 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.834 13.843 -6.890 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.713 13.896 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.315 15.339 -6.077 1.00 0.00 H new ATOM 678 N GLU A 41 -18.386 12.634 -3.269 1.00 0.00 N ATOM 679 CA GLU A 41 -18.848 12.087 -2.004 1.00 0.00 C ATOM 680 C GLU A 41 -18.059 12.695 -0.847 1.00 0.00 C ATOM 681 O GLU A 41 -18.658 13.263 0.063 1.00 0.00 O ATOM 682 CB GLU A 41 -18.732 10.556 -2.019 1.00 0.00 C ATOM 683 CG GLU A 41 -19.702 9.907 -3.018 1.00 0.00 C ATOM 684 CD GLU A 41 -21.160 10.156 -2.648 1.00 0.00 C ATOM 685 OE1 GLU A 41 -21.589 9.581 -1.623 1.00 0.00 O ATOM 686 OE2 GLU A 41 -21.812 10.927 -3.385 1.00 0.00 O ATOM 0 H GLU A 41 -17.961 11.938 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.898 12.344 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.710 10.274 -2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.931 10.169 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.510 10.300 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.517 8.834 -3.057 1.00 0.00 H new ATOM 693 N LEU A 42 -16.728 12.582 -0.882 1.00 0.00 N ATOM 694 CA LEU A 42 -15.837 13.134 0.131 1.00 0.00 C ATOM 695 C LEU A 42 -16.218 14.582 0.444 1.00 0.00 C ATOM 696 O LEU A 42 -16.405 14.933 1.608 1.00 0.00 O ATOM 697 CB LEU A 42 -14.381 13.005 -0.351 1.00 0.00 C ATOM 698 CG LEU A 42 -13.345 13.765 0.495 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.318 13.304 1.957 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.956 13.566 -0.121 1.00 0.00 C ATOM 0 H LEU A 42 -16.235 12.095 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.936 12.574 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.111 11.949 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.321 13.363 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.630 14.817 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.569 13.875 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.298 13.465 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.069 12.244 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.215 14.101 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.712 12.504 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.952 13.951 -1.141 1.00 0.00 H new ATOM 712 N LYS A 43 -16.357 15.413 -0.593 1.00 0.00 N ATOM 713 CA LYS A 43 -16.758 16.794 -0.427 1.00 0.00 C ATOM 714 C LYS A 43 -18.120 16.843 0.266 1.00 0.00 C ATOM 715 O LYS A 43 -18.229 17.427 1.336 1.00 0.00 O ATOM 716 CB LYS A 43 -16.748 17.513 -1.788 1.00 0.00 C ATOM 717 CG LYS A 43 -16.713 19.043 -1.648 1.00 0.00 C ATOM 718 CD LYS A 43 -15.291 19.545 -1.344 1.00 0.00 C ATOM 719 CE LYS A 43 -15.257 21.046 -1.033 1.00 0.00 C ATOM 720 NZ LYS A 43 -15.721 21.865 -2.166 1.00 0.00 N ATOM 0 H LYS A 43 -16.193 15.140 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.050 17.325 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.881 17.184 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.633 17.224 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.074 19.503 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.388 19.353 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.886 18.992 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.645 19.338 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.881 21.248 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.240 21.337 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.632 22.873 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.143 21.657 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.717 21.645 -2.369 1.00 0.00 H new ATOM 734 N ASN A 44 -19.150 16.216 -0.312 1.00 0.00 N ATOM 735 CA ASN A 44 -20.512 16.318 0.212 1.00 0.00 C ATOM 736 C ASN A 44 -20.647 15.837 1.656 1.00 0.00 C ATOM 737 O ASN A 44 -21.416 16.415 2.422 1.00 0.00 O ATOM 738 CB ASN A 44 -21.522 15.615 -0.696 1.00 0.00 C ATOM 739 CG ASN A 44 -21.971 16.560 -1.799 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.931 17.312 -1.628 1.00 0.00 O ATOM 741 ND2 ASN A 44 -21.250 16.563 -2.918 1.00 0.00 N ATOM 0 H ASN A 44 -19.064 15.632 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.742 17.383 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.073 14.722 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.383 15.288 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.485 17.205 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.462 15.923 -3.019 1.00 0.00 H new ATOM 748 N LYS A 45 -19.929 14.784 2.041 1.00 0.00 N ATOM 749 CA LYS A 45 -19.952 14.305 3.416 1.00 0.00 C ATOM 750 C LYS A 45 -19.540 15.417 4.390 1.00 0.00 C ATOM 751 O LYS A 45 -20.088 15.493 5.487 1.00 0.00 O ATOM 752 CB LYS A 45 -19.053 13.071 3.558 1.00 0.00 C ATOM 753 CG LYS A 45 -19.618 11.830 2.846 1.00 0.00 C ATOM 754 CD LYS A 45 -20.814 11.215 3.585 1.00 0.00 C ATOM 755 CE LYS A 45 -21.154 9.844 2.985 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.279 9.209 3.693 1.00 0.00 N ATOM 0 H LYS A 45 -19.325 14.248 1.418 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.971 14.014 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.067 13.298 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.919 12.846 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.922 12.103 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.831 11.082 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.582 11.110 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.677 11.877 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.405 9.959 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.279 9.196 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.483 8.285 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.029 9.077 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.120 9.816 3.623 1.00 0.00 H new ATOM 770 N MET A 46 -18.579 16.264 4.003 1.00 0.00 N ATOM 771 CA MET A 46 -18.140 17.389 4.817 1.00 0.00 C ATOM 772 C MET A 46 -18.958 18.640 4.465 1.00 0.00 C ATOM 773 O MET A 46 -19.803 19.096 5.233 1.00 0.00 O ATOM 774 CB MET A 46 -16.632 17.603 4.604 1.00 0.00 C ATOM 775 CG MET A 46 -15.824 16.351 4.976 1.00 0.00 C ATOM 776 SD MET A 46 -14.020 16.522 4.900 1.00 0.00 S ATOM 777 CE MET A 46 -13.781 16.917 3.153 1.00 0.00 C ATOM 0 H MET A 46 -18.087 16.183 3.113 1.00 0.00 H new ATOM 0 HA MET A 46 -18.307 17.182 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.444 17.861 3.562 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.295 18.446 5.207 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.099 16.052 5.987 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.121 15.540 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.717 16.894 2.917 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.305 16.184 2.539 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.177 17.912 2.947 1.00 0.00 H new