USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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 76 ASN : amide:sc= -0.258! C(o=0.42!,f=-6.9!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0.68 (180deg=0) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -9.28! C(o=-9.1!,f=-6.2!) USER MOD Set 2.2: A 65 SER OG : rot -38:sc= 0.183 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.759 (180deg=-1.84!) USER MOD Single : A 2 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.56) USER MOD Single : A 6 THR OG1 : rot -48:sc= -2.5! USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.406 (180deg=-1.01) USER MOD Single : A 14 ASN : amide:sc= -15.3! C(o=-15!,f=-10!) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -4.76! (180deg=-7.88!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -8.26! (180deg=-11.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 27 SER OG : rot 178:sc= -0.454! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -13! C(o=-13!,f=-5.2!) USER MOD Single : A 49 GLN : amide:sc= -0.973 K(o=-0.97,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.788 K(o=-0.79,f=-0.0043) USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= -0.0237 (180deg=-2.11!) USER MOD Single : A 64 GLN : amide:sc= -4.05! K(o=-4.1!,f=-0.51) USER MOD Single : A 72 TYR OH : rot 80:sc= -18.8! USER MOD Single : A 75 GLN : amide:sc= -0.911! X(o=-0.91!,f=-0.71) USER MOD Single : A 78 MET CE :methyl -175:sc= -16.5! (180deg=-17.7!) USER MOD Single : A 101 PNS O33 : rot -58:sc= -0.0667 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.060 -9.696 9.187 1.00 0.00 N ATOM 2 CA MET A 1 -3.984 -8.933 10.065 1.00 0.00 C ATOM 3 C MET A 1 -3.429 -7.548 10.380 1.00 0.00 C ATOM 4 O MET A 1 -3.396 -6.672 9.517 1.00 0.00 O ATOM 5 CB MET A 1 -4.191 -9.724 11.359 1.00 0.00 C ATOM 6 CG MET A 1 -4.797 -11.101 11.139 1.00 0.00 C ATOM 7 SD MET A 1 -5.547 -11.776 12.632 1.00 0.00 S ATOM 8 CE MET A 1 -4.497 -13.198 12.926 1.00 0.00 C ATOM 0 H1 MET A 1 -3.575 -10.028 8.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.275 -9.081 8.891 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.682 -10.513 9.707 1.00 0.00 H new ATOM 0 HA MET A 1 -4.935 -8.796 9.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.232 -9.835 11.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.838 -9.153 12.025 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.551 -11.041 10.354 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.023 -11.782 10.786 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.835 -13.721 13.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.548 -13.871 12.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.468 -12.868 13.067 1.00 0.00 H new ATOM 20 N ASN A 2 -2.992 -7.359 11.621 1.00 0.00 N ATOM 21 CA ASN A 2 -2.437 -6.081 12.053 1.00 0.00 C ATOM 22 C ASN A 2 -1.212 -5.708 11.230 1.00 0.00 C ATOM 23 O ASN A 2 -0.928 -4.530 11.020 1.00 0.00 O ATOM 24 CB ASN A 2 -2.064 -6.129 13.535 1.00 0.00 C ATOM 25 CG ASN A 2 -1.898 -7.546 14.046 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.774 -8.080 14.726 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.769 -8.165 13.719 1.00 0.00 N ATOM 0 H ASN A 2 -3.012 -8.076 12.346 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.204 -5.321 11.901 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.136 -5.579 13.691 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.835 -5.624 14.117 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.602 -9.121 14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.069 -7.685 13.153 1.00 0.00 H new ATOM 34 N ASP A 3 -0.484 -6.718 10.781 1.00 0.00 N ATOM 35 CA ASP A 3 0.725 -6.501 9.995 1.00 0.00 C ATOM 36 C ASP A 3 0.464 -5.559 8.825 1.00 0.00 C ATOM 37 O ASP A 3 1.372 -4.876 8.352 1.00 0.00 O ATOM 38 CB ASP A 3 1.271 -7.833 9.480 1.00 0.00 C ATOM 39 CG ASP A 3 2.245 -8.473 10.451 1.00 0.00 C ATOM 40 OD1 ASP A 3 2.207 -8.120 11.648 1.00 0.00 O ATOM 41 OD2 ASP A 3 3.045 -9.326 10.013 1.00 0.00 O ATOM 0 H ASP A 3 -0.708 -7.699 10.947 1.00 0.00 H new ATOM 0 HA ASP A 3 1.466 -6.038 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.442 -8.517 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.768 -7.673 8.523 1.00 0.00 H new ATOM 46 N VAL A 4 -0.779 -5.522 8.363 1.00 0.00 N ATOM 47 CA VAL A 4 -1.149 -4.657 7.252 1.00 0.00 C ATOM 48 C VAL A 4 -1.147 -3.193 7.674 1.00 0.00 C ATOM 49 O VAL A 4 -0.513 -2.357 7.037 1.00 0.00 O ATOM 50 CB VAL A 4 -2.536 -5.014 6.685 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.531 -6.418 6.105 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.605 -4.870 7.756 1.00 0.00 C ATOM 0 H VAL A 4 -1.546 -6.079 8.740 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.402 -4.813 6.474 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.770 -4.317 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.519 -6.652 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.796 -6.478 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.274 -7.133 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.578 -5.127 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.380 -5.539 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.625 -3.841 8.114 1.00 0.00 H new ATOM 62 N LEU A 5 -1.861 -2.888 8.749 1.00 0.00 N ATOM 63 CA LEU A 5 -1.938 -1.525 9.255 1.00 0.00 C ATOM 64 C LEU A 5 -0.594 -1.065 9.805 1.00 0.00 C ATOM 65 O LEU A 5 -0.239 0.106 9.710 1.00 0.00 O ATOM 66 CB LEU A 5 -3.008 -1.425 10.339 1.00 0.00 C ATOM 67 CG LEU A 5 -4.290 -0.703 9.920 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.332 -1.704 9.447 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.832 0.130 11.073 1.00 0.00 C ATOM 0 H LEU A 5 -2.396 -3.568 9.288 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.207 -0.872 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.267 -2.432 10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.584 -0.909 11.200 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.056 -0.033 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.238 -1.174 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.942 -2.259 8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.564 -2.397 10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.744 0.637 10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.052 -0.520 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.088 0.871 11.368 1.00 0.00 H new ATOM 81 N THR A 6 0.135 -1.994 10.401 1.00 0.00 N ATOM 82 CA THR A 6 1.433 -1.689 10.992 1.00 0.00 C ATOM 83 C THR A 6 2.441 -1.254 9.949 1.00 0.00 C ATOM 84 O THR A 6 3.022 -0.174 10.038 1.00 0.00 O ATOM 85 CB THR A 6 1.988 -2.907 11.718 1.00 0.00 C ATOM 86 OG1 THR A 6 1.100 -3.994 11.603 1.00 0.00 O ATOM 87 CG2 THR A 6 2.258 -2.657 13.181 1.00 0.00 C ATOM 0 H THR A 6 -0.149 -2.970 10.490 1.00 0.00 H new ATOM 0 HA THR A 6 1.274 -0.869 11.693 1.00 0.00 H new ATOM 0 HB THR A 6 2.940 -3.133 11.238 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.191 -3.698 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.652 -3.565 13.639 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.987 -1.853 13.284 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.331 -2.373 13.679 1.00 0.00 H new ATOM 95 N ARG A 7 2.658 -2.121 8.975 1.00 0.00 N ATOM 96 CA ARG A 7 3.616 -1.861 7.922 1.00 0.00 C ATOM 97 C ARG A 7 3.070 -0.854 6.924 1.00 0.00 C ATOM 98 O ARG A 7 3.782 0.043 6.478 1.00 0.00 O ATOM 99 CB ARG A 7 3.983 -3.161 7.205 1.00 0.00 C ATOM 100 CG ARG A 7 5.409 -3.186 6.679 1.00 0.00 C ATOM 101 CD ARG A 7 5.500 -2.572 5.291 1.00 0.00 C ATOM 102 NE ARG A 7 6.851 -2.110 4.984 1.00 0.00 N ATOM 103 CZ ARG A 7 7.907 -2.916 4.920 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.766 -4.216 5.136 1.00 0.00 N ATOM 105 NH2 ARG A 7 9.104 -2.421 4.635 1.00 0.00 N ATOM 0 H ARG A 7 2.178 -3.017 8.894 1.00 0.00 H new ATOM 0 HA ARG A 7 4.512 -1.440 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.843 -3.996 7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.295 -3.314 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.060 -2.641 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.769 -4.214 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.191 -3.308 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.806 -1.735 5.219 1.00 0.00 H new ATOM 0 HE ARG A 7 6.992 -1.115 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.846 -4.600 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.577 -4.832 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.215 -1.421 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.913 -3.040 4.586 1.00 0.00 H new ATOM 119 N VAL A 8 1.803 -1.015 6.575 1.00 0.00 N ATOM 120 CA VAL A 8 1.160 -0.124 5.628 1.00 0.00 C ATOM 121 C VAL A 8 1.035 1.285 6.199 1.00 0.00 C ATOM 122 O VAL A 8 1.420 2.263 5.560 1.00 0.00 O ATOM 123 CB VAL A 8 -0.241 -0.635 5.236 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.289 -0.125 6.212 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.582 -0.222 3.813 1.00 0.00 C ATOM 0 H VAL A 8 1.201 -1.756 6.935 1.00 0.00 H new ATOM 0 HA VAL A 8 1.790 -0.099 4.739 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.235 -1.724 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.271 -0.496 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.053 -0.477 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.296 0.965 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.574 -0.592 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.569 0.865 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.152 -0.643 3.126 1.00 0.00 H new ATOM 135 N LEU A 9 0.498 1.373 7.411 1.00 0.00 N ATOM 136 CA LEU A 9 0.322 2.656 8.085 1.00 0.00 C ATOM 137 C LEU A 9 1.668 3.275 8.451 1.00 0.00 C ATOM 138 O LEU A 9 1.896 4.465 8.240 1.00 0.00 O ATOM 139 CB LEU A 9 -0.529 2.476 9.346 1.00 0.00 C ATOM 140 CG LEU A 9 0.259 2.226 10.632 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.849 3.524 11.158 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.630 1.578 11.682 1.00 0.00 C ATOM 0 H LEU A 9 0.176 0.569 7.949 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.189 3.331 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.142 3.367 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.211 1.641 9.189 1.00 0.00 H new ATOM 0 HG LEU A 9 1.079 1.544 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.406 3.326 12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.519 3.948 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.046 4.230 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.054 1.407 12.591 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.470 2.236 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.004 0.626 11.305 1.00 0.00 H new ATOM 154 N GLU A 10 2.555 2.452 9.002 1.00 0.00 N ATOM 155 CA GLU A 10 3.882 2.899 9.406 1.00 0.00 C ATOM 156 C GLU A 10 4.712 3.317 8.201 1.00 0.00 C ATOM 157 O GLU A 10 5.563 4.197 8.289 1.00 0.00 O ATOM 158 CB GLU A 10 4.612 1.794 10.169 1.00 0.00 C ATOM 159 CG GLU A 10 5.225 0.737 9.269 1.00 0.00 C ATOM 160 CD GLU A 10 6.670 0.440 9.619 1.00 0.00 C ATOM 161 OE1 GLU A 10 6.975 0.311 10.823 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.497 0.337 8.688 1.00 0.00 O ATOM 0 H GLU A 10 2.375 1.464 9.180 1.00 0.00 H new ATOM 0 HA GLU A 10 3.753 3.763 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.398 2.242 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.913 1.315 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.641 -0.181 9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.167 1.069 8.233 1.00 0.00 H new ATOM 169 N VAL A 11 4.478 2.644 7.087 1.00 0.00 N ATOM 170 CA VAL A 11 5.220 2.897 5.858 1.00 0.00 C ATOM 171 C VAL A 11 4.979 4.294 5.306 1.00 0.00 C ATOM 172 O VAL A 11 5.919 5.063 5.100 1.00 0.00 O ATOM 173 CB VAL A 11 4.861 1.869 4.783 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.832 2.511 3.405 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.832 0.700 4.820 1.00 0.00 C ATOM 0 H VAL A 11 3.773 1.911 7.006 1.00 0.00 H new ATOM 0 HA VAL A 11 6.275 2.812 6.118 1.00 0.00 H new ATOM 0 HB VAL A 11 3.861 1.489 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.574 1.759 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.088 3.307 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.813 2.927 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.562 -0.022 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.844 1.062 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.787 0.220 5.798 1.00 0.00 H new ATOM 185 N VAL A 12 3.720 4.620 5.073 1.00 0.00 N ATOM 186 CA VAL A 12 3.361 5.930 4.546 1.00 0.00 C ATOM 187 C VAL A 12 3.847 7.020 5.489 1.00 0.00 C ATOM 188 O VAL A 12 4.412 8.029 5.067 1.00 0.00 O ATOM 189 CB VAL A 12 1.840 6.068 4.353 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.092 5.385 5.488 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.446 7.533 4.250 1.00 0.00 C ATOM 0 H VAL A 12 2.928 3.999 5.239 1.00 0.00 H new ATOM 0 HA VAL A 12 3.841 6.036 3.573 1.00 0.00 H new ATOM 0 HB VAL A 12 1.565 5.575 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.018 5.494 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.350 4.326 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.370 5.845 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.367 7.611 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.735 8.053 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.953 7.987 3.399 1.00 0.00 H new ATOM 201 N LYS A 13 3.628 6.791 6.775 1.00 0.00 N ATOM 202 CA LYS A 13 4.041 7.729 7.803 1.00 0.00 C ATOM 203 C LYS A 13 5.560 7.873 7.822 1.00 0.00 C ATOM 204 O LYS A 13 6.082 8.960 8.074 1.00 0.00 O ATOM 205 CB LYS A 13 3.538 7.252 9.162 1.00 0.00 C ATOM 206 CG LYS A 13 4.087 5.900 9.559 1.00 0.00 C ATOM 207 CD LYS A 13 4.133 5.736 11.070 1.00 0.00 C ATOM 208 CE LYS A 13 2.793 6.068 11.706 1.00 0.00 C ATOM 209 NZ LYS A 13 2.940 6.465 13.135 1.00 0.00 N ATOM 0 H LYS A 13 3.163 5.956 7.132 1.00 0.00 H new ATOM 0 HA LYS A 13 3.610 8.706 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.811 7.985 9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.449 7.204 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.468 5.114 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.090 5.779 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.411 4.712 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.905 6.385 11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.318 6.877 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.133 5.203 11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.215 5.984 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.885 6.194 13.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.823 7.495 13.223 1.00 0.00 H new ATOM 223 N ASN A 14 6.264 6.773 7.546 1.00 0.00 N ATOM 224 CA ASN A 14 7.720 6.784 7.529 1.00 0.00 C ATOM 225 C ASN A 14 8.234 7.282 6.184 1.00 0.00 C ATOM 226 O ASN A 14 9.440 7.429 5.983 1.00 0.00 O ATOM 227 CB ASN A 14 8.287 5.384 7.791 1.00 0.00 C ATOM 228 CG ASN A 14 7.704 4.714 9.022 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.008 3.557 9.311 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.866 5.433 9.755 1.00 0.00 N ATOM 0 H ASN A 14 5.846 5.867 7.332 1.00 0.00 H new ATOM 0 HA ASN A 14 8.051 7.456 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.097 4.755 6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.369 5.454 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.447 5.030 10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.640 6.389 9.481 1.00 0.00 H new ATOM 237 N PHE A 15 7.311 7.544 5.265 1.00 0.00 N ATOM 238 CA PHE A 15 7.668 8.029 3.945 1.00 0.00 C ATOM 239 C PHE A 15 7.924 9.529 3.980 1.00 0.00 C ATOM 240 O PHE A 15 8.625 10.074 3.129 1.00 0.00 O ATOM 241 CB PHE A 15 6.561 7.707 2.940 1.00 0.00 C ATOM 242 CG PHE A 15 6.848 6.495 2.099 1.00 0.00 C ATOM 243 CD1 PHE A 15 8.122 6.266 1.602 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.845 5.585 1.807 1.00 0.00 C ATOM 245 CE1 PHE A 15 8.388 5.152 0.830 1.00 0.00 C ATOM 246 CE2 PHE A 15 6.106 4.469 1.033 1.00 0.00 C ATOM 247 CZ PHE A 15 7.379 4.253 0.545 1.00 0.00 C ATOM 0 H PHE A 15 6.309 7.427 5.414 1.00 0.00 H new ATOM 0 HA PHE A 15 8.583 7.526 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.626 7.552 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.414 8.567 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.915 6.966 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.848 5.749 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.385 4.984 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.315 3.768 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.586 3.382 -0.059 1.00 0.00 H new ATOM 257 N GLU A 16 7.342 10.186 4.977 1.00 0.00 N ATOM 258 CA GLU A 16 7.493 11.627 5.142 1.00 0.00 C ATOM 259 C GLU A 16 6.201 12.344 4.777 1.00 0.00 C ATOM 260 O GLU A 16 6.125 13.572 4.817 1.00 0.00 O ATOM 261 CB GLU A 16 8.643 12.148 4.278 1.00 0.00 C ATOM 262 CG GLU A 16 8.248 12.420 2.839 1.00 0.00 C ATOM 263 CD GLU A 16 8.424 13.875 2.450 1.00 0.00 C ATOM 264 OE1 GLU A 16 7.513 14.679 2.734 1.00 0.00 O ATOM 265 OE2 GLU A 16 9.473 14.209 1.860 1.00 0.00 O ATOM 0 H GLU A 16 6.759 9.741 5.686 1.00 0.00 H new ATOM 0 HA GLU A 16 7.722 11.828 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.030 13.066 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.455 11.421 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.849 11.796 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.207 12.132 2.691 1.00 0.00 H new ATOM 272 N LYS A 17 5.186 11.566 4.419 1.00 0.00 N ATOM 273 CA LYS A 17 3.894 12.118 4.043 1.00 0.00 C ATOM 274 C LYS A 17 3.204 12.755 5.243 1.00 0.00 C ATOM 275 O LYS A 17 2.730 13.889 5.168 1.00 0.00 O ATOM 276 CB LYS A 17 3.003 11.026 3.448 1.00 0.00 C ATOM 277 CG LYS A 17 3.684 10.204 2.368 1.00 0.00 C ATOM 278 CD LYS A 17 4.839 10.965 1.746 1.00 0.00 C ATOM 279 CE LYS A 17 4.389 12.321 1.232 1.00 0.00 C ATOM 280 NZ LYS A 17 4.189 12.318 -0.244 1.00 0.00 N ATOM 0 H LYS A 17 5.235 10.548 4.382 1.00 0.00 H new ATOM 0 HA LYS A 17 4.062 12.890 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.676 10.360 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.108 11.487 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.048 9.269 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.960 9.942 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.630 11.097 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.261 10.384 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.459 12.605 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.132 13.074 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.302 13.284 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.892 11.694 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.233 11.974 -0.464 1.00 0.00 H new ATOM 294 N VAL A 18 3.147 12.021 6.350 1.00 0.00 N ATOM 295 CA VAL A 18 2.511 12.525 7.561 1.00 0.00 C ATOM 296 C VAL A 18 2.474 11.464 8.654 1.00 0.00 C ATOM 297 O VAL A 18 2.524 10.266 8.373 1.00 0.00 O ATOM 298 CB VAL A 18 1.073 13.001 7.280 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.998 14.519 7.304 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.582 12.457 5.947 1.00 0.00 C ATOM 0 H VAL A 18 3.532 11.080 6.433 1.00 0.00 H new ATOM 0 HA VAL A 18 3.111 13.369 7.901 1.00 0.00 H new ATOM 0 HB VAL A 18 0.423 12.616 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.025 14.836 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.305 14.883 8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.661 14.928 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.435 12.803 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.234 12.810 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.595 11.367 5.972 1.00 0.00 H new ATOM 310 N ASP A 19 2.382 11.911 9.902 1.00 0.00 N ATOM 311 CA ASP A 19 2.333 11.004 11.037 1.00 0.00 C ATOM 312 C ASP A 19 0.967 10.331 11.131 1.00 0.00 C ATOM 313 O ASP A 19 -0.067 10.995 11.066 1.00 0.00 O ATOM 314 CB ASP A 19 2.636 11.756 12.334 1.00 0.00 C ATOM 315 CG ASP A 19 3.698 12.822 12.150 1.00 0.00 C ATOM 316 OD1 ASP A 19 3.782 13.390 11.041 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.445 13.089 13.114 1.00 0.00 O ATOM 0 H ASP A 19 2.340 12.899 10.151 1.00 0.00 H new ATOM 0 HA ASP A 19 3.090 10.234 10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.721 12.219 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.965 11.047 13.094 1.00 0.00 H new ATOM 322 N ALA A 20 0.969 9.011 11.282 1.00 0.00 N ATOM 323 CA ALA A 20 -0.272 8.252 11.381 1.00 0.00 C ATOM 324 C ALA A 20 -1.125 8.744 12.545 1.00 0.00 C ATOM 325 O ALA A 20 -2.325 8.472 12.606 1.00 0.00 O ATOM 326 CB ALA A 20 0.027 6.770 11.534 1.00 0.00 C ATOM 0 H ALA A 20 1.816 8.445 11.338 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.836 8.405 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.909 6.216 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.589 6.421 10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.615 6.609 12.437 1.00 0.00 H new ATOM 332 N SER A 21 -0.499 9.465 13.467 1.00 0.00 N ATOM 333 CA SER A 21 -1.198 9.991 14.632 1.00 0.00 C ATOM 334 C SER A 21 -2.218 11.050 14.226 1.00 0.00 C ATOM 335 O SER A 21 -3.118 11.386 14.994 1.00 0.00 O ATOM 336 CB SER A 21 -0.200 10.583 15.628 1.00 0.00 C ATOM 337 OG SER A 21 -0.012 11.969 15.400 1.00 0.00 O ATOM 0 H SER A 21 0.493 9.699 13.430 1.00 0.00 H new ATOM 0 HA SER A 21 -1.729 9.166 15.107 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.559 10.424 16.645 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.755 10.064 15.542 1.00 0.00 H new ATOM 0 HG SER A 21 0.629 12.324 16.051 1.00 0.00 H new ATOM 343 N LYS A 22 -2.067 11.575 13.014 1.00 0.00 N ATOM 344 CA LYS A 22 -2.971 12.597 12.508 1.00 0.00 C ATOM 345 C LYS A 22 -4.166 11.970 11.797 1.00 0.00 C ATOM 346 O LYS A 22 -5.176 12.632 11.557 1.00 0.00 O ATOM 347 CB LYS A 22 -2.232 13.538 11.554 1.00 0.00 C ATOM 348 CG LYS A 22 -1.941 12.922 10.194 1.00 0.00 C ATOM 349 CD LYS A 22 -0.837 13.673 9.470 1.00 0.00 C ATOM 350 CE LYS A 22 -0.769 15.127 9.909 1.00 0.00 C ATOM 351 NZ LYS A 22 0.546 15.746 9.583 1.00 0.00 N ATOM 0 H LYS A 22 -1.326 11.308 12.365 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.339 13.169 13.360 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.827 14.441 11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.292 13.843 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.651 11.879 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.847 12.930 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.120 13.189 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.008 13.625 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.566 15.690 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.943 15.190 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.773 16.472 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.285 15.014 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.499 16.185 8.641 1.00 0.00 H new ATOM 365 N VAL A 23 -4.044 10.691 11.459 1.00 0.00 N ATOM 366 CA VAL A 23 -5.111 9.978 10.774 1.00 0.00 C ATOM 367 C VAL A 23 -6.189 9.521 11.750 1.00 0.00 C ATOM 368 O VAL A 23 -5.903 8.829 12.727 1.00 0.00 O ATOM 369 CB VAL A 23 -4.570 8.752 10.014 1.00 0.00 C ATOM 370 CG1 VAL A 23 -3.137 8.991 9.564 1.00 0.00 C ATOM 371 CG2 VAL A 23 -4.665 7.504 10.879 1.00 0.00 C ATOM 0 H VAL A 23 -3.215 10.128 11.649 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.547 10.677 10.060 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.183 8.598 9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.773 8.114 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.103 9.858 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.507 9.172 10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.279 6.648 10.326 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.078 7.645 11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.707 7.324 11.145 1.00 0.00 H new ATOM 381 N THR A 24 -7.431 9.911 11.476 1.00 0.00 N ATOM 382 CA THR A 24 -8.550 9.542 12.320 1.00 0.00 C ATOM 383 C THR A 24 -9.510 8.621 11.574 1.00 0.00 C ATOM 384 O THR A 24 -9.410 8.458 10.357 1.00 0.00 O ATOM 385 CB THR A 24 -9.285 10.791 12.809 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.297 10.844 14.224 1.00 0.00 O ATOM 387 CG2 THR A 24 -10.720 10.869 12.335 1.00 0.00 C ATOM 0 H THR A 24 -7.682 10.485 10.671 1.00 0.00 H new ATOM 0 HA THR A 24 -8.161 9.004 13.185 1.00 0.00 H new ATOM 0 HB THR A 24 -8.735 11.632 12.386 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.770 11.651 14.517 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.181 11.779 12.719 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.743 10.882 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.271 10.002 12.699 1.00 0.00 H new ATOM 395 N PRO A 25 -10.456 8.003 12.297 1.00 0.00 N ATOM 396 CA PRO A 25 -11.438 7.090 11.702 1.00 0.00 C ATOM 397 C PRO A 25 -12.296 7.772 10.642 1.00 0.00 C ATOM 398 O PRO A 25 -12.671 7.157 9.643 1.00 0.00 O ATOM 399 CB PRO A 25 -12.303 6.656 12.894 1.00 0.00 C ATOM 400 CG PRO A 25 -12.052 7.676 13.952 1.00 0.00 C ATOM 401 CD PRO A 25 -10.640 8.143 13.748 1.00 0.00 C ATOM 0 HA PRO A 25 -10.956 6.259 11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.358 6.622 12.623 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.029 5.658 13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.754 8.506 13.868 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.182 7.248 14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.504 9.174 14.075 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.928 7.535 14.306 1.00 0.00 H new ATOM 409 N GLU A 26 -12.604 9.045 10.864 1.00 0.00 N ATOM 410 CA GLU A 26 -13.414 9.809 9.929 1.00 0.00 C ATOM 411 C GLU A 26 -12.550 10.768 9.116 1.00 0.00 C ATOM 412 O GLU A 26 -13.064 11.648 8.424 1.00 0.00 O ATOM 413 CB GLU A 26 -14.498 10.588 10.677 1.00 0.00 C ATOM 414 CG GLU A 26 -15.474 11.306 9.760 1.00 0.00 C ATOM 415 CD GLU A 26 -16.006 10.408 8.660 1.00 0.00 C ATOM 416 OE1 GLU A 26 -16.519 9.315 8.981 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.910 10.798 7.477 1.00 0.00 O ATOM 0 H GLU A 26 -12.303 9.569 11.686 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.889 9.108 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.052 9.901 11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.022 11.319 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.308 11.686 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.980 12.169 9.313 1.00 0.00 H new ATOM 424 N SER A 27 -11.236 10.594 9.208 1.00 0.00 N ATOM 425 CA SER A 27 -10.300 11.443 8.491 1.00 0.00 C ATOM 426 C SER A 27 -10.218 11.051 7.019 1.00 0.00 C ATOM 427 O SER A 27 -10.168 9.869 6.682 1.00 0.00 O ATOM 428 CB SER A 27 -8.913 11.362 9.130 1.00 0.00 C ATOM 429 OG SER A 27 -8.117 12.478 8.767 1.00 0.00 O ATOM 0 H SER A 27 -10.797 9.869 9.775 1.00 0.00 H new ATOM 0 HA SER A 27 -10.663 12.469 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.011 11.319 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.419 10.442 8.818 1.00 0.00 H new ATOM 0 HG SER A 27 -7.247 12.418 9.214 1.00 0.00 H new ATOM 435 N HIS A 28 -10.204 12.054 6.145 1.00 0.00 N ATOM 436 CA HIS A 28 -10.126 11.820 4.714 1.00 0.00 C ATOM 437 C HIS A 28 -8.675 11.687 4.264 1.00 0.00 C ATOM 438 O HIS A 28 -7.777 12.293 4.848 1.00 0.00 O ATOM 439 CB HIS A 28 -10.810 12.955 3.952 1.00 0.00 C ATOM 440 CG HIS A 28 -12.059 12.534 3.243 1.00 0.00 C ATOM 441 ND1 HIS A 28 -13.130 11.951 3.890 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.409 12.612 1.937 1.00 0.00 C ATOM 443 CE1 HIS A 28 -14.082 11.689 3.011 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.670 12.081 1.821 1.00 0.00 N ATOM 0 H HIS A 28 -10.246 13.038 6.408 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.642 10.885 4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -11.051 13.756 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.110 13.366 3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.808 13.017 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -15.035 11.232 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.202 12.002 0.954 1.00 0.00 H new ATOM 453 N PHE A 29 -8.452 10.890 3.224 1.00 0.00 N ATOM 454 CA PHE A 29 -7.110 10.678 2.701 1.00 0.00 C ATOM 455 C PHE A 29 -6.568 11.948 2.061 1.00 0.00 C ATOM 456 O PHE A 29 -5.415 12.325 2.277 1.00 0.00 O ATOM 457 CB PHE A 29 -7.109 9.538 1.681 1.00 0.00 C ATOM 458 CG PHE A 29 -5.733 9.060 1.316 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.754 9.959 0.922 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.417 7.713 1.368 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.487 9.523 0.586 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.152 7.269 1.033 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.185 8.176 0.642 1.00 0.00 C ATOM 0 H PHE A 29 -9.184 10.381 2.728 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.462 10.409 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.681 8.701 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.621 9.869 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.985 11.013 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.169 7.000 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.734 10.234 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.919 6.215 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.195 7.832 0.381 1.00 0.00 H new ATOM 473 N VAL A 30 -7.406 12.600 1.273 1.00 0.00 N ATOM 474 CA VAL A 30 -7.024 13.824 0.594 1.00 0.00 C ATOM 475 C VAL A 30 -7.258 15.042 1.476 1.00 0.00 C ATOM 476 O VAL A 30 -6.495 16.006 1.443 1.00 0.00 O ATOM 477 CB VAL A 30 -7.795 14.004 -0.728 1.00 0.00 C ATOM 478 CG1 VAL A 30 -6.895 14.605 -1.795 1.00 0.00 C ATOM 479 CG2 VAL A 30 -8.372 12.675 -1.193 1.00 0.00 C ATOM 0 H VAL A 30 -8.362 12.298 1.088 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.960 13.739 0.374 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.622 14.693 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.458 14.724 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.535 15.578 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.046 13.944 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.913 12.821 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.563 11.962 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.054 12.289 -0.435 1.00 0.00 H new ATOM 489 N LYS A 31 -8.321 14.984 2.259 1.00 0.00 N ATOM 490 CA LYS A 31 -8.678 16.073 3.156 1.00 0.00 C ATOM 491 C LYS A 31 -7.775 16.092 4.384 1.00 0.00 C ATOM 492 O LYS A 31 -7.637 17.120 5.048 1.00 0.00 O ATOM 493 CB LYS A 31 -10.141 15.947 3.585 1.00 0.00 C ATOM 494 CG LYS A 31 -11.070 15.509 2.465 1.00 0.00 C ATOM 495 CD LYS A 31 -12.512 15.430 2.937 1.00 0.00 C ATOM 496 CE LYS A 31 -13.236 16.752 2.740 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.818 17.262 4.011 1.00 0.00 N ATOM 0 H LYS A 31 -8.958 14.188 2.293 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.542 17.011 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.210 15.231 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.481 16.907 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.996 16.211 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.755 14.535 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.032 14.644 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.536 15.154 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.542 17.489 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.029 16.625 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.303 18.165 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.500 16.570 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.059 17.408 4.707 1.00 0.00 H new ATOM 511 N ASP A 32 -7.165 14.950 4.685 1.00 0.00 N ATOM 512 CA ASP A 32 -6.282 14.836 5.832 1.00 0.00 C ATOM 513 C ASP A 32 -4.858 15.247 5.474 1.00 0.00 C ATOM 514 O ASP A 32 -3.962 15.211 6.316 1.00 0.00 O ATOM 515 CB ASP A 32 -6.293 13.405 6.371 1.00 0.00 C ATOM 516 CG ASP A 32 -5.485 13.260 7.645 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.061 13.451 8.737 1.00 0.00 O ATOM 518 OD2 ASP A 32 -4.278 12.957 7.552 1.00 0.00 O ATOM 0 H ASP A 32 -7.269 14.090 4.146 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.648 15.512 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.322 13.099 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.894 12.731 5.613 1.00 0.00 H new ATOM 523 N LEU A 33 -4.658 15.639 4.218 1.00 0.00 N ATOM 524 CA LEU A 33 -3.342 16.059 3.747 1.00 0.00 C ATOM 525 C LEU A 33 -3.083 15.556 2.329 1.00 0.00 C ATOM 526 O LEU A 33 -2.064 15.883 1.721 1.00 0.00 O ATOM 527 CB LEU A 33 -2.249 15.549 4.689 1.00 0.00 C ATOM 528 CG LEU A 33 -1.873 16.507 5.820 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.767 15.759 7.140 1.00 0.00 C ATOM 530 CD2 LEU A 33 -0.566 17.218 5.502 1.00 0.00 C ATOM 0 H LEU A 33 -5.390 15.674 3.509 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.322 17.149 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.578 14.606 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.356 15.334 4.102 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.659 17.256 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.499 16.457 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.725 15.295 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.001 14.988 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.313 17.896 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.229 16.482 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.676 17.786 4.578 1.00 0.00 H new ATOM 542 N GLY A 34 -4.012 14.762 1.805 1.00 0.00 N ATOM 543 CA GLY A 34 -3.866 14.230 0.463 1.00 0.00 C ATOM 544 C GLY A 34 -2.418 14.112 0.034 1.00 0.00 C ATOM 545 O GLY A 34 -1.776 15.111 -0.293 1.00 0.00 O ATOM 0 H GLY A 34 -4.865 14.477 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.336 13.248 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.397 14.874 -0.238 1.00 0.00 H new ATOM 549 N LEU A 35 -1.901 12.888 0.034 1.00 0.00 N ATOM 550 CA LEU A 35 -0.521 12.639 -0.359 1.00 0.00 C ATOM 551 C LEU A 35 -0.336 12.850 -1.859 1.00 0.00 C ATOM 552 O LEU A 35 -1.290 12.754 -2.630 1.00 0.00 O ATOM 553 CB LEU A 35 -0.108 11.218 0.023 1.00 0.00 C ATOM 554 CG LEU A 35 0.380 11.050 1.463 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.300 12.372 2.210 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.430 9.980 2.179 1.00 0.00 C ATOM 0 H LEU A 35 -2.419 12.052 0.303 1.00 0.00 H new ATOM 0 HA LEU A 35 0.115 13.348 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.958 10.554 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.683 10.892 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 35 1.422 10.732 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.651 12.234 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.925 13.112 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.733 12.720 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.069 9.874 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.481 10.268 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.321 9.030 1.656 1.00 0.00 H new ATOM 568 N ASN A 36 0.896 13.140 -2.264 1.00 0.00 N ATOM 569 CA ASN A 36 1.202 13.367 -3.668 1.00 0.00 C ATOM 570 C ASN A 36 1.101 12.072 -4.469 1.00 0.00 C ATOM 571 O ASN A 36 1.000 10.985 -3.898 1.00 0.00 O ATOM 572 CB ASN A 36 2.602 13.962 -3.819 1.00 0.00 C ATOM 573 CG ASN A 36 2.790 14.669 -5.141 1.00 0.00 C ATOM 574 OD1 ASN A 36 2.706 15.894 -5.228 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.046 13.892 -6.176 1.00 0.00 N ATOM 0 H ASN A 36 1.697 13.223 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 36 0.469 14.073 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.785 14.664 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.343 13.168 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.184 14.302 -7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.106 12.881 -6.053 1.00 0.00 H new ATOM 582 N SER A 37 1.131 12.196 -5.792 1.00 0.00 N ATOM 583 CA SER A 37 1.046 11.037 -6.672 1.00 0.00 C ATOM 584 C SER A 37 2.225 10.100 -6.456 1.00 0.00 C ATOM 585 O SER A 37 2.054 8.939 -6.086 1.00 0.00 O ATOM 586 CB SER A 37 0.993 11.483 -8.134 1.00 0.00 C ATOM 587 OG SER A 37 0.580 12.834 -8.241 1.00 0.00 O ATOM 0 H SER A 37 1.214 13.089 -6.278 1.00 0.00 H new ATOM 0 HA SER A 37 0.130 10.497 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.976 11.363 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.305 10.844 -8.687 1.00 0.00 H new ATOM 592 N LEU A 38 3.421 10.616 -6.693 1.00 0.00 N ATOM 593 CA LEU A 38 4.640 9.832 -6.528 1.00 0.00 C ATOM 594 C LEU A 38 4.646 9.118 -5.184 1.00 0.00 C ATOM 595 O LEU A 38 5.296 8.086 -5.018 1.00 0.00 O ATOM 596 CB LEU A 38 5.875 10.729 -6.648 1.00 0.00 C ATOM 597 CG LEU A 38 6.182 11.589 -5.416 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.063 12.585 -5.167 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.403 10.716 -4.190 1.00 0.00 C ATOM 0 H LEU A 38 3.576 11.576 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 38 4.669 9.083 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.741 10.101 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.744 11.387 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 38 7.100 12.144 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.299 13.186 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.956 13.237 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.129 12.049 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.619 11.347 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.505 10.130 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.243 10.045 -4.368 1.00 0.00 H new ATOM 611 N ASP A 39 3.916 9.677 -4.229 1.00 0.00 N ATOM 612 CA ASP A 39 3.834 9.100 -2.896 1.00 0.00 C ATOM 613 C ASP A 39 2.974 7.845 -2.899 1.00 0.00 C ATOM 614 O ASP A 39 3.474 6.733 -3.065 1.00 0.00 O ATOM 615 CB ASP A 39 3.262 10.119 -1.910 1.00 0.00 C ATOM 616 CG ASP A 39 3.078 9.537 -0.522 1.00 0.00 C ATOM 617 OD1 ASP A 39 4.077 9.073 0.064 1.00 0.00 O ATOM 618 OD2 ASP A 39 1.934 9.547 -0.022 1.00 0.00 O ATOM 0 H ASP A 39 3.372 10.531 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 39 4.842 8.828 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.927 10.981 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.302 10.480 -2.280 1.00 0.00 H new ATOM 623 N VAL A 40 1.677 8.035 -2.711 1.00 0.00 N ATOM 624 CA VAL A 40 0.733 6.925 -2.685 1.00 0.00 C ATOM 625 C VAL A 40 1.090 5.867 -3.724 1.00 0.00 C ATOM 626 O VAL A 40 0.847 4.678 -3.520 1.00 0.00 O ATOM 627 CB VAL A 40 -0.709 7.404 -2.934 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.059 7.306 -4.411 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.690 6.602 -2.091 1.00 0.00 C ATOM 0 H VAL A 40 1.251 8.952 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 40 0.796 6.486 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.781 8.451 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.082 7.649 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.376 7.929 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.970 6.270 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.704 6.954 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.617 5.547 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.452 6.730 -1.035 1.00 0.00 H new ATOM 639 N VAL A 41 1.664 6.306 -4.840 1.00 0.00 N ATOM 640 CA VAL A 41 2.051 5.395 -5.909 1.00 0.00 C ATOM 641 C VAL A 41 3.220 4.512 -5.488 1.00 0.00 C ATOM 642 O VAL A 41 3.260 3.323 -5.805 1.00 0.00 O ATOM 643 CB VAL A 41 2.440 6.159 -7.185 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.369 7.177 -7.544 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.790 6.831 -7.007 1.00 0.00 C ATOM 0 H VAL A 41 1.871 7.287 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 41 1.183 4.770 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 41 2.519 5.448 -8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.661 7.708 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.422 6.664 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.255 7.889 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.052 7.368 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.740 7.532 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.548 6.076 -6.800 1.00 0.00 H new ATOM 655 N GLU A 42 4.172 5.100 -4.771 1.00 0.00 N ATOM 656 CA GLU A 42 5.339 4.365 -4.310 1.00 0.00 C ATOM 657 C GLU A 42 4.965 3.433 -3.169 1.00 0.00 C ATOM 658 O GLU A 42 5.357 2.266 -3.145 1.00 0.00 O ATOM 659 CB GLU A 42 6.437 5.330 -3.863 1.00 0.00 C ATOM 660 CG GLU A 42 7.449 5.639 -4.953 1.00 0.00 C ATOM 661 CD GLU A 42 8.846 5.862 -4.406 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.054 5.629 -3.198 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.732 6.267 -5.188 1.00 0.00 O ATOM 0 H GLU A 42 4.156 6.083 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 42 5.716 3.767 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.979 6.261 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.957 4.905 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.470 4.817 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.130 6.527 -5.498 1.00 0.00 H new ATOM 670 N VAL A 43 4.197 3.961 -2.232 1.00 0.00 N ATOM 671 CA VAL A 43 3.751 3.192 -1.082 1.00 0.00 C ATOM 672 C VAL A 43 2.833 2.060 -1.514 1.00 0.00 C ATOM 673 O VAL A 43 2.922 0.944 -1.005 1.00 0.00 O ATOM 674 CB VAL A 43 3.011 4.077 -0.066 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.341 5.250 -0.767 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.999 3.260 0.711 1.00 0.00 C ATOM 0 H VAL A 43 3.867 4.926 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 43 4.642 2.780 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 43 3.739 4.477 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.822 5.865 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.096 5.850 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.624 4.876 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.484 3.902 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.273 2.829 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.511 2.460 1.245 1.00 0.00 H new ATOM 686 N VAL A 44 1.956 2.357 -2.462 1.00 0.00 N ATOM 687 CA VAL A 44 1.024 1.359 -2.969 1.00 0.00 C ATOM 688 C VAL A 44 1.784 0.168 -3.534 1.00 0.00 C ATOM 689 O VAL A 44 1.401 -0.983 -3.324 1.00 0.00 O ATOM 690 CB VAL A 44 0.099 1.935 -4.059 1.00 0.00 C ATOM 691 CG1 VAL A 44 0.879 2.818 -5.019 1.00 0.00 C ATOM 692 CG2 VAL A 44 -0.604 0.814 -4.808 1.00 0.00 C ATOM 0 H VAL A 44 1.870 3.277 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 44 0.405 1.042 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.658 2.551 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.205 3.213 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.330 3.644 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.663 2.231 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.253 1.239 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.138 0.169 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.202 0.229 -4.109 1.00 0.00 H new ATOM 702 N PHE A 45 2.876 0.451 -4.238 1.00 0.00 N ATOM 703 CA PHE A 45 3.700 -0.599 -4.814 1.00 0.00 C ATOM 704 C PHE A 45 4.398 -1.380 -3.709 1.00 0.00 C ATOM 705 O PHE A 45 4.741 -2.551 -3.877 1.00 0.00 O ATOM 706 CB PHE A 45 4.734 -0.005 -5.774 1.00 0.00 C ATOM 707 CG PHE A 45 4.147 0.462 -7.076 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.928 1.120 -7.104 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.813 0.240 -8.269 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.386 1.551 -8.301 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.276 0.667 -9.469 1.00 0.00 C ATOM 712 CZ PHE A 45 3.061 1.323 -9.485 1.00 0.00 C ATOM 0 H PHE A 45 3.208 1.398 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 45 3.057 -1.277 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.230 0.834 -5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.500 -0.753 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.396 1.298 -6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.763 -0.273 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.436 2.065 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.806 0.488 -10.393 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.639 1.657 -10.421 1.00 0.00 H new ATOM 722 N ALA A 46 4.594 -0.719 -2.574 1.00 0.00 N ATOM 723 CA ALA A 46 5.240 -1.335 -1.428 1.00 0.00 C ATOM 724 C ALA A 46 4.286 -2.279 -0.713 1.00 0.00 C ATOM 725 O ALA A 46 4.471 -3.497 -0.712 1.00 0.00 O ATOM 726 CB ALA A 46 5.749 -0.269 -0.471 1.00 0.00 C ATOM 0 H ALA A 46 4.312 0.250 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 46 6.090 -1.916 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.230 -0.746 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.469 0.367 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.913 0.337 -0.123 1.00 0.00 H new ATOM 732 N ILE A 47 3.260 -1.699 -0.113 1.00 0.00 N ATOM 733 CA ILE A 47 2.256 -2.470 0.607 1.00 0.00 C ATOM 734 C ILE A 47 1.768 -3.642 -0.237 1.00 0.00 C ATOM 735 O ILE A 47 1.680 -4.772 0.243 1.00 0.00 O ATOM 736 CB ILE A 47 1.053 -1.593 1.004 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.498 -0.865 -0.223 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.459 -0.602 2.085 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.272 0.617 -0.006 1.00 0.00 C ATOM 0 H ILE A 47 3.099 -0.692 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 47 2.728 -2.848 1.514 1.00 0.00 H new ATOM 0 HB ILE A 47 0.267 -2.233 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.188 -0.999 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.445 -1.328 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.600 0.012 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.810 -1.145 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.258 0.038 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.122 1.063 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.442 0.761 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.217 1.095 0.253 1.00 0.00 H new ATOM 751 N GLU A 48 1.464 -3.370 -1.502 1.00 0.00 N ATOM 752 CA GLU A 48 0.997 -4.411 -2.405 1.00 0.00 C ATOM 753 C GLU A 48 2.001 -5.552 -2.446 1.00 0.00 C ATOM 754 O GLU A 48 1.630 -6.727 -2.505 1.00 0.00 O ATOM 755 CB GLU A 48 0.783 -3.845 -3.810 1.00 0.00 C ATOM 756 CG GLU A 48 0.614 -4.913 -4.878 1.00 0.00 C ATOM 757 CD GLU A 48 1.878 -5.720 -5.100 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.953 -5.279 -4.641 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.794 -6.792 -5.736 1.00 0.00 O ATOM 0 H GLU A 48 1.533 -2.443 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 48 0.044 -4.790 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.100 -3.206 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.632 -3.213 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.195 -5.584 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.319 -4.441 -5.815 1.00 0.00 H new ATOM 766 N GLN A 49 3.276 -5.193 -2.393 1.00 0.00 N ATOM 767 CA GLN A 49 4.348 -6.176 -2.403 1.00 0.00 C ATOM 768 C GLN A 49 4.146 -7.179 -1.275 1.00 0.00 C ATOM 769 O GLN A 49 4.258 -8.388 -1.477 1.00 0.00 O ATOM 770 CB GLN A 49 5.706 -5.488 -2.259 1.00 0.00 C ATOM 771 CG GLN A 49 6.583 -5.609 -3.495 1.00 0.00 C ATOM 772 CD GLN A 49 7.912 -4.896 -3.338 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.973 -5.483 -3.553 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.861 -3.624 -2.961 1.00 0.00 N ATOM 0 H GLN A 49 3.593 -4.225 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 49 4.327 -6.705 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.548 -4.432 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.233 -5.917 -1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.763 -6.663 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.053 -5.197 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.959 -3.177 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.723 -3.093 -2.839 1.00 0.00 H new ATOM 783 N GLU A 50 3.837 -6.667 -0.086 1.00 0.00 N ATOM 784 CA GLU A 50 3.609 -7.516 1.066 1.00 0.00 C ATOM 785 C GLU A 50 2.131 -7.529 1.447 1.00 0.00 C ATOM 786 O GLU A 50 1.782 -7.612 2.624 1.00 0.00 O ATOM 787 CB GLU A 50 4.453 -7.046 2.251 1.00 0.00 C ATOM 788 CG GLU A 50 4.185 -5.606 2.655 1.00 0.00 C ATOM 789 CD GLU A 50 5.195 -4.639 2.069 1.00 0.00 C ATOM 790 OE1 GLU A 50 6.203 -5.106 1.499 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.977 -3.414 2.178 1.00 0.00 O ATOM 0 H GLU A 50 3.740 -5.668 0.098 1.00 0.00 H new ATOM 0 HA GLU A 50 3.906 -8.531 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.260 -7.696 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.508 -7.154 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.184 -5.322 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.201 -5.528 3.742 1.00 0.00 H new ATOM 798 N PHE A 51 1.270 -7.453 0.437 1.00 0.00 N ATOM 799 CA PHE A 51 -0.168 -7.461 0.650 1.00 0.00 C ATOM 800 C PHE A 51 -0.876 -8.351 -0.372 1.00 0.00 C ATOM 801 O PHE A 51 -2.092 -8.533 -0.308 1.00 0.00 O ATOM 802 CB PHE A 51 -0.729 -6.040 0.577 1.00 0.00 C ATOM 803 CG PHE A 51 -0.856 -5.372 1.917 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.263 -4.885 2.573 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.096 -5.228 2.518 1.00 0.00 C ATOM 806 CE1 PHE A 51 0.148 -4.266 3.803 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.216 -4.609 3.748 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.093 -4.128 4.391 1.00 0.00 C ATOM 0 H PHE A 51 1.548 -7.385 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.352 -7.867 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.083 -5.436 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.709 -6.070 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.237 -4.990 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.978 -5.603 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.028 -3.891 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.188 -4.502 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.185 -3.645 5.352 1.00 0.00 H new ATOM 818 N ILE A 52 -0.112 -8.902 -1.314 1.00 0.00 N ATOM 819 CA ILE A 52 -0.669 -9.770 -2.346 1.00 0.00 C ATOM 820 C ILE A 52 -1.867 -9.121 -3.030 1.00 0.00 C ATOM 821 O ILE A 52 -2.937 -9.721 -3.133 1.00 0.00 O ATOM 822 CB ILE A 52 -1.089 -11.146 -1.785 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.799 -10.998 -0.445 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.122 -12.057 -1.649 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.251 -10.591 -0.569 1.00 0.00 C ATOM 0 H ILE A 52 0.896 -8.761 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 52 0.125 -9.922 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.788 -11.598 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.740 -11.944 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.273 -10.256 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.192 -13.023 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.582 -12.199 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.844 -11.603 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.691 -10.505 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.317 -9.630 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.792 -11.344 -1.142 1.00 0.00 H new ATOM 837 N LEU A 53 -1.678 -7.893 -3.501 1.00 0.00 N ATOM 838 CA LEU A 53 -2.741 -7.161 -4.180 1.00 0.00 C ATOM 839 C LEU A 53 -2.347 -5.703 -4.391 1.00 0.00 C ATOM 840 O LEU A 53 -1.830 -5.051 -3.483 1.00 0.00 O ATOM 841 CB LEU A 53 -4.039 -7.240 -3.374 1.00 0.00 C ATOM 842 CG LEU A 53 -5.279 -7.626 -4.181 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.015 -7.478 -5.670 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.704 -9.050 -3.852 1.00 0.00 C ATOM 0 H LEU A 53 -0.798 -7.383 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.900 -7.621 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.907 -7.965 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.217 -6.273 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.091 -6.952 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.909 -7.757 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.757 -6.443 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.189 -8.128 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.588 -9.310 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.894 -9.737 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.935 -9.124 -2.789 1.00 0.00 H new ATOM 856 N ASP A 54 -2.592 -5.197 -5.595 1.00 0.00 N ATOM 857 CA ASP A 54 -2.263 -3.821 -5.926 1.00 0.00 C ATOM 858 C ASP A 54 -3.328 -2.862 -5.404 1.00 0.00 C ATOM 859 O ASP A 54 -4.519 -3.173 -5.421 1.00 0.00 O ATOM 860 CB ASP A 54 -2.113 -3.660 -7.440 1.00 0.00 C ATOM 861 CG ASP A 54 -0.948 -2.763 -7.813 1.00 0.00 C ATOM 862 OD1 ASP A 54 -0.048 -2.575 -6.968 1.00 0.00 O ATOM 863 OD2 ASP A 54 -0.937 -2.247 -8.950 1.00 0.00 O ATOM 0 H ASP A 54 -3.019 -5.723 -6.358 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.316 -3.577 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.973 -4.641 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.033 -3.246 -7.852 1.00 0.00 H new ATOM 868 N ILE A 55 -2.893 -1.697 -4.939 1.00 0.00 N ATOM 869 CA ILE A 55 -3.805 -0.697 -4.413 1.00 0.00 C ATOM 870 C ILE A 55 -3.793 0.585 -5.247 1.00 0.00 C ATOM 871 O ILE A 55 -4.459 1.561 -4.902 1.00 0.00 O ATOM 872 CB ILE A 55 -3.466 -0.345 -2.952 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.778 -1.529 -2.034 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.237 0.891 -2.512 1.00 0.00 C ATOM 875 CD1 ILE A 55 -4.803 -2.484 -2.604 1.00 0.00 C ATOM 0 H ILE A 55 -1.910 -1.424 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.801 -1.137 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.400 -0.127 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.856 -2.076 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.138 -1.151 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.987 1.127 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.970 1.733 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.307 0.700 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.974 -3.298 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.738 -1.952 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.436 -2.891 -3.546 1.00 0.00 H new ATOM 887 N PRO A 56 -3.036 0.606 -6.359 1.00 0.00 N ATOM 888 CA PRO A 56 -2.952 1.782 -7.230 1.00 0.00 C ATOM 889 C PRO A 56 -4.209 1.972 -8.074 1.00 0.00 C ATOM 890 O PRO A 56 -5.186 2.563 -7.619 1.00 0.00 O ATOM 891 CB PRO A 56 -1.752 1.467 -8.123 1.00 0.00 C ATOM 892 CG PRO A 56 -1.729 -0.019 -8.199 1.00 0.00 C ATOM 893 CD PRO A 56 -2.203 -0.508 -6.856 1.00 0.00 C ATOM 0 HA PRO A 56 -2.852 2.707 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.863 1.914 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.827 1.858 -7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.378 -0.379 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.725 -0.384 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.777 -1.430 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.368 -0.715 -6.186 1.00 0.00 H new ATOM 901 N ASP A 57 -4.171 1.466 -9.302 1.00 0.00 N ATOM 902 CA ASP A 57 -5.300 1.573 -10.223 1.00 0.00 C ATOM 903 C ASP A 57 -6.473 2.326 -9.598 1.00 0.00 C ATOM 904 O ASP A 57 -6.311 3.430 -9.075 1.00 0.00 O ATOM 905 CB ASP A 57 -5.753 0.179 -10.662 1.00 0.00 C ATOM 906 CG ASP A 57 -4.665 -0.578 -11.396 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.495 -0.142 -11.340 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.981 -1.608 -12.030 1.00 0.00 O ATOM 0 H ASP A 57 -3.364 0.974 -9.686 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.964 2.140 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.062 -0.392 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.627 0.270 -11.307 1.00 0.00 H new ATOM 913 N HIS A 58 -7.657 1.727 -9.671 1.00 0.00 N ATOM 914 CA HIS A 58 -8.860 2.336 -9.129 1.00 0.00 C ATOM 915 C HIS A 58 -8.977 2.093 -7.627 1.00 0.00 C ATOM 916 O HIS A 58 -9.767 2.743 -6.944 1.00 0.00 O ATOM 917 CB HIS A 58 -10.098 1.791 -9.842 1.00 0.00 C ATOM 918 CG HIS A 58 -9.854 1.431 -11.274 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.109 2.292 -12.322 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.373 0.294 -11.833 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.796 1.701 -13.461 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.347 0.489 -13.192 1.00 0.00 N ATOM 0 H HIS A 58 -7.806 0.815 -10.103 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.793 3.411 -9.296 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.455 0.909 -9.310 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.892 2.536 -9.793 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.067 -0.599 -11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.891 2.135 -14.445 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.032 -0.193 -13.882 1.00 0.00 H new ATOM 931 N ASP A 59 -8.189 1.152 -7.118 1.00 0.00 N ATOM 932 CA ASP A 59 -8.213 0.829 -5.697 1.00 0.00 C ATOM 933 C ASP A 59 -7.788 2.031 -4.860 1.00 0.00 C ATOM 934 O ASP A 59 -8.419 2.354 -3.853 1.00 0.00 O ATOM 935 CB ASP A 59 -7.295 -0.360 -5.406 1.00 0.00 C ATOM 936 CG ASP A 59 -7.499 -1.500 -6.386 1.00 0.00 C ATOM 937 OD1 ASP A 59 -6.982 -1.408 -7.519 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.175 -2.483 -6.019 1.00 0.00 O ATOM 0 H ASP A 59 -7.528 0.602 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.235 0.563 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.256 -0.032 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.478 -0.718 -4.393 1.00 0.00 H new ATOM 943 N ALA A 60 -6.714 2.689 -5.284 1.00 0.00 N ATOM 944 CA ALA A 60 -6.202 3.852 -4.579 1.00 0.00 C ATOM 945 C ALA A 60 -6.866 5.133 -5.068 1.00 0.00 C ATOM 946 O ALA A 60 -7.145 6.041 -4.286 1.00 0.00 O ATOM 947 CB ALA A 60 -4.692 3.944 -4.736 1.00 0.00 C ATOM 0 H ALA A 60 -6.182 2.433 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.440 3.735 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.323 4.820 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.228 3.047 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.441 4.031 -5.793 1.00 0.00 H new ATOM 953 N GLU A 61 -7.112 5.196 -6.369 1.00 0.00 N ATOM 954 CA GLU A 61 -7.741 6.365 -6.974 1.00 0.00 C ATOM 955 C GLU A 61 -9.166 6.547 -6.458 1.00 0.00 C ATOM 956 O GLU A 61 -9.630 7.672 -6.271 1.00 0.00 O ATOM 957 CB GLU A 61 -7.751 6.233 -8.497 1.00 0.00 C ATOM 958 CG GLU A 61 -6.661 7.039 -9.184 1.00 0.00 C ATOM 959 CD GLU A 61 -6.514 6.688 -10.652 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.490 6.876 -11.408 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.423 6.226 -11.045 1.00 0.00 O ATOM 0 H GLU A 61 -6.886 4.451 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.159 7.244 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.637 5.182 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.722 6.554 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.885 8.101 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.712 6.867 -8.676 1.00 0.00 H new ATOM 968 N LYS A 62 -9.854 5.434 -6.232 1.00 0.00 N ATOM 969 CA LYS A 62 -11.223 5.465 -5.742 1.00 0.00 C ATOM 970 C LYS A 62 -11.258 5.621 -4.225 1.00 0.00 C ATOM 971 O LYS A 62 -12.292 5.407 -3.593 1.00 0.00 O ATOM 972 CB LYS A 62 -11.963 4.190 -6.152 1.00 0.00 C ATOM 973 CG LYS A 62 -12.084 4.014 -7.656 1.00 0.00 C ATOM 974 CD LYS A 62 -12.351 5.340 -8.353 1.00 0.00 C ATOM 975 CE LYS A 62 -12.996 5.133 -9.713 1.00 0.00 C ATOM 976 NZ LYS A 62 -11.995 4.761 -10.752 1.00 0.00 N ATOM 0 H LYS A 62 -9.482 4.496 -6.382 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.721 6.326 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.443 3.328 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.961 4.203 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.166 3.575 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.891 3.316 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.001 5.955 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.415 5.885 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.752 4.351 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.509 6.046 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.105 5.383 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.036 4.867 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.144 3.773 -11.040 1.00 0.00 H new ATOM 990 N ILE A 63 -10.120 5.991 -3.647 1.00 0.00 N ATOM 991 CA ILE A 63 -10.019 6.170 -2.208 1.00 0.00 C ATOM 992 C ILE A 63 -9.940 7.647 -1.837 1.00 0.00 C ATOM 993 O ILE A 63 -9.042 8.362 -2.280 1.00 0.00 O ATOM 994 CB ILE A 63 -8.790 5.439 -1.636 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.194 4.077 -1.071 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.120 6.285 -0.563 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.276 2.950 -1.493 1.00 0.00 C ATOM 0 H ILE A 63 -9.255 6.172 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.922 5.741 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.076 5.279 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.209 4.134 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.210 3.847 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.253 5.754 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.799 7.233 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.827 6.475 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.624 2.014 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.279 2.865 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.263 3.158 -1.148 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.886 8.094 -1.016 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.930 9.475 -0.579 1.00 0.00 C ATOM 1011 C GLN A 64 -10.764 9.570 0.934 1.00 0.00 C ATOM 1012 O GLN A 64 -10.628 10.660 1.488 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.244 10.131 -1.006 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.571 9.936 -2.478 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.627 8.872 -2.706 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.786 9.180 -2.981 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.229 7.610 -2.591 1.00 0.00 N ATOM 0 H GLN A 64 -11.634 7.511 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.103 10.005 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.056 9.723 -0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.194 11.199 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.916 10.881 -2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.663 9.662 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.258 7.401 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.895 6.850 -2.732 1.00 0.00 H new ATOM 1026 N SER A 65 -10.778 8.416 1.595 1.00 0.00 N ATOM 1027 CA SER A 65 -10.629 8.360 3.044 1.00 0.00 C ATOM 1028 C SER A 65 -9.470 7.452 3.434 1.00 0.00 C ATOM 1029 O SER A 65 -9.356 6.327 2.948 1.00 0.00 O ATOM 1030 CB SER A 65 -11.922 7.861 3.691 1.00 0.00 C ATOM 1031 OG SER A 65 -12.332 8.721 4.740 1.00 0.00 O ATOM 0 H SER A 65 -10.891 7.506 1.148 1.00 0.00 H new ATOM 0 HA SER A 65 -10.416 9.367 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.708 7.799 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.773 6.854 4.080 1.00 0.00 H new ATOM 0 HG SER A 65 -11.545 9.035 5.232 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.611 7.952 4.311 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.454 7.196 4.773 1.00 0.00 C ATOM 1039 C ILE A 66 -7.869 5.842 5.338 1.00 0.00 C ATOM 1040 O ILE A 66 -7.260 4.816 5.032 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.679 7.972 5.855 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.585 9.022 6.505 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.443 8.625 5.256 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.147 10.446 6.240 1.00 0.00 C ATOM 0 H ILE A 66 -8.694 8.883 4.719 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.809 7.042 3.908 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.356 7.271 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.603 8.889 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.610 8.852 7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.906 9.169 6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.793 7.857 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.742 9.317 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.834 11.135 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.141 10.596 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.150 10.634 5.166 1.00 0.00 H new ATOM 1056 N PRO A 67 -8.916 5.822 6.177 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.415 4.588 6.792 1.00 0.00 C ATOM 1058 C PRO A 67 -10.085 3.662 5.783 1.00 0.00 C ATOM 1059 O PRO A 67 -10.039 2.440 5.922 1.00 0.00 O ATOM 1060 CB PRO A 67 -10.437 5.090 7.816 1.00 0.00 C ATOM 1061 CG PRO A 67 -10.884 6.410 7.292 1.00 0.00 C ATOM 1062 CD PRO A 67 -9.693 7.004 6.591 1.00 0.00 C ATOM 0 HA PRO A 67 -8.609 3.997 7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.274 4.398 7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.990 5.188 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.722 6.293 6.605 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.223 7.057 8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.991 7.609 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.118 7.651 7.254 1.00 0.00 H new ATOM 1070 N ASP A 68 -10.708 4.249 4.766 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.388 3.474 3.736 1.00 0.00 C ATOM 1072 C ASP A 68 -10.399 2.616 2.956 1.00 0.00 C ATOM 1073 O ASP A 68 -10.763 1.580 2.398 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.141 4.402 2.781 1.00 0.00 C ATOM 1075 CG ASP A 68 -11.309 4.788 1.574 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -10.065 4.715 1.663 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -11.901 5.163 0.540 1.00 0.00 O ATOM 0 H ASP A 68 -10.756 5.259 4.634 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.103 2.814 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.055 3.911 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.441 5.303 3.316 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.149 3.056 2.920 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.105 2.337 2.209 1.00 0.00 C ATOM 1084 C ALA A 69 -7.550 1.198 3.050 1.00 0.00 C ATOM 1085 O ALA A 69 -7.494 0.050 2.608 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.990 3.290 1.804 1.00 0.00 C ATOM 0 H ALA A 69 -8.834 3.911 3.378 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.545 1.906 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.215 2.738 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.393 4.066 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.562 3.749 2.695 1.00 0.00 H new ATOM 1092 N VAL A 70 -7.142 1.528 4.263 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.587 0.544 5.182 1.00 0.00 C ATOM 1094 C VAL A 70 -7.638 -0.478 5.597 1.00 0.00 C ATOM 1095 O VAL A 70 -7.309 -1.600 5.983 1.00 0.00 O ATOM 1096 CB VAL A 70 -6.013 1.216 6.444 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -7.128 1.820 7.282 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -5.204 0.218 7.259 1.00 0.00 C ATOM 0 H VAL A 70 -7.184 2.476 4.638 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.782 0.036 4.651 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.347 2.021 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.703 2.290 8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.660 2.568 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.822 1.036 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.806 0.710 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.845 -0.610 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.380 -0.162 6.655 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.901 -0.081 5.513 1.00 0.00 N ATOM 1109 CA GLU A 71 -10.004 -0.956 5.878 1.00 0.00 C ATOM 1110 C GLU A 71 -10.176 -2.074 4.855 1.00 0.00 C ATOM 1111 O GLU A 71 -10.196 -3.254 5.207 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.301 -0.155 5.999 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.858 0.307 4.663 1.00 0.00 C ATOM 1114 CD GLU A 71 -13.215 0.970 4.794 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -13.705 1.098 5.936 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -13.788 1.360 3.755 1.00 0.00 O ATOM 0 H GLU A 71 -9.186 0.845 5.194 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.772 -1.406 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.050 -0.766 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.123 0.716 6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.159 1.006 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.939 -0.548 3.992 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.301 -1.695 3.588 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.471 -2.665 2.513 1.00 0.00 C ATOM 1125 C TYR A 72 -9.256 -3.574 2.406 1.00 0.00 C ATOM 1126 O TYR A 72 -9.382 -4.774 2.165 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.717 -1.951 1.183 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.450 -1.599 0.436 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.848 -2.514 -0.419 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -8.858 -0.351 0.583 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.691 -2.195 -1.105 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -7.702 -0.024 -0.100 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.123 -0.949 -0.942 1.00 0.00 C ATOM 1134 OH TYR A 72 -5.971 -0.628 -1.624 1.00 0.00 O ATOM 0 H TYR A 72 -10.288 -0.723 3.280 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.340 -3.281 2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.337 -2.586 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.283 -1.038 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.291 -3.490 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.309 0.376 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.234 -2.918 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.255 0.951 0.025 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.195 -0.381 -2.546 1.00 0.00 H new ATOM 1144 N ILE A 73 -8.081 -2.991 2.590 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.837 -3.742 2.520 1.00 0.00 C ATOM 1146 C ILE A 73 -6.735 -4.738 3.667 1.00 0.00 C ATOM 1147 O ILE A 73 -6.145 -5.807 3.530 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.615 -2.814 2.549 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.676 -1.815 1.394 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.330 -3.625 2.493 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.284 -0.409 1.789 1.00 0.00 C ATOM 0 H ILE A 73 -7.963 -1.998 2.789 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.846 -4.281 1.573 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.625 -2.255 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.018 -2.156 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.688 -1.801 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.473 -2.951 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.286 -4.296 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.309 -4.210 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.351 0.245 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.957 -0.049 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.261 -0.409 2.166 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.315 -4.374 4.800 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.298 -5.232 5.975 1.00 0.00 C ATOM 1165 C ALA A 74 -8.087 -6.511 5.735 1.00 0.00 C ATOM 1166 O ALA A 74 -7.640 -7.609 6.073 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.848 -4.486 7.180 1.00 0.00 C ATOM 0 H ALA A 74 -7.804 -3.489 4.931 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.263 -5.510 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.830 -5.140 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.235 -3.605 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.874 -4.177 6.980 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.269 -6.356 5.156 1.00 0.00 N ATOM 1174 CA GLN A 75 -10.142 -7.487 4.881 1.00 0.00 C ATOM 1175 C GLN A 75 -9.699 -8.242 3.638 1.00 0.00 C ATOM 1176 O GLN A 75 -9.829 -9.464 3.565 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.588 -7.014 4.718 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.954 -5.852 5.628 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.972 -4.919 5.000 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.972 -5.363 4.435 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.722 -3.619 5.097 1.00 0.00 N ATOM 0 H GLN A 75 -9.646 -5.454 4.867 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.080 -8.168 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.750 -6.718 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.260 -7.848 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.352 -6.241 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.053 -5.289 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.881 -3.296 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.371 -2.943 4.694 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.166 -7.517 2.668 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.694 -8.137 1.439 1.00 0.00 C ATOM 1192 C ASN A 76 -7.716 -9.259 1.772 1.00 0.00 C ATOM 1193 O ASN A 76 -8.091 -10.431 1.819 1.00 0.00 O ATOM 1194 CB ASN A 76 -8.022 -7.100 0.537 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.902 -6.689 -0.627 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -9.012 -7.407 -1.621 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.536 -5.528 -0.509 1.00 0.00 N ATOM 0 H ASN A 76 -9.049 -6.504 2.706 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.548 -8.553 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.769 -6.219 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.086 -7.507 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.143 -5.200 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.416 -4.965 0.333 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.447 -8.907 2.020 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.406 -9.876 2.365 1.00 0.00 C ATOM 1206 C PRO A 77 -5.825 -10.789 3.515 1.00 0.00 C ATOM 1207 O PRO A 77 -5.476 -11.969 3.535 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.212 -9.002 2.784 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.757 -7.619 2.925 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.927 -7.541 1.990 1.00 0.00 C ATOM 0 HA PRO A 77 -5.185 -10.543 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.781 -9.351 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.419 -9.037 2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.064 -7.423 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.003 -6.874 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.669 -6.817 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.625 -7.244 0.986 1.00 0.00 H new ATOM 1218 N MET A 78 -6.581 -10.245 4.471 1.00 0.00 N ATOM 1219 CA MET A 78 -7.038 -11.034 5.609 1.00 0.00 C ATOM 1220 C MET A 78 -7.960 -12.157 5.147 1.00 0.00 C ATOM 1221 O MET A 78 -8.177 -13.133 5.863 1.00 0.00 O ATOM 1222 CB MET A 78 -7.766 -10.148 6.621 1.00 0.00 C ATOM 1223 CG MET A 78 -6.840 -9.491 7.632 1.00 0.00 C ATOM 1224 SD MET A 78 -5.109 -9.557 7.132 1.00 0.00 S ATOM 1225 CE MET A 78 -5.029 -8.169 6.003 1.00 0.00 C ATOM 0 H MET A 78 -6.885 -9.271 4.478 1.00 0.00 H new ATOM 0 HA MET A 78 -6.163 -11.472 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.313 -9.373 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.503 -10.749 7.153 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.136 -8.451 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.954 -9.983 8.598 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.042 -8.132 5.541 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.788 -8.285 5.229 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.208 -7.244 6.551 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.500 -12.007 3.942 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.396 -12.997 3.374 1.00 0.00 C ATOM 1237 C ALA A 79 -8.636 -13.996 2.516 1.00 0.00 C ATOM 1238 O ALA A 79 -8.363 -15.119 2.938 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.486 -12.317 2.560 1.00 0.00 C ATOM 0 H ALA A 79 -8.328 -11.202 3.340 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.860 -13.544 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.151 -13.072 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.057 -11.648 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.032 -11.743 1.752 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.299 -13.573 1.307 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.569 -14.420 0.372 1.00 0.00 C ATOM 1247 C LYS A 80 -6.902 -15.585 1.097 1.00 0.00 C ATOM 1248 O LYS A 80 -5.805 -15.381 1.658 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.515 -13.599 -0.374 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.304 -12.209 0.203 1.00 0.00 C ATOM 1251 CD LYS A 80 -6.907 -11.137 -0.690 1.00 0.00 C ATOM 1252 CE LYS A 80 -8.415 -11.294 -0.809 1.00 0.00 C ATOM 1253 NZ LYS A 80 -9.008 -10.281 -1.725 1.00 0.00 N ATOM 1254 OXT LYS A 80 -7.484 -16.689 1.099 1.00 0.00 O ATOM 0 H LYS A 80 -8.520 -12.644 0.948 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.283 -14.824 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.568 -14.138 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.811 -13.508 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.754 -12.153 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.237 -12.023 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.673 -10.152 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.455 -11.191 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.648 -12.294 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.869 -11.201 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.037 -10.422 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.808 -9.327 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.594 -10.386 -2.673 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 0.220 13.166 -9.774 1.00 0.00 P HETATM 1270 O25 PNS A 101 -1.367 13.400 -9.914 1.00 0.00 O HETATM 1271 O26 PNS A 101 0.665 11.933 -10.709 1.00 0.00 O HETATM 1272 O27 PNS A 101 1.002 14.497 -10.233 1.00 0.00 O HETATM 1273 C28 PNS A 101 2.306 14.509 -9.648 1.00 0.00 C HETATM 1274 C29 PNS A 101 3.357 14.548 -10.738 1.00 0.00 C HETATM 1275 C30 PNS A 101 3.761 15.977 -10.996 1.00 0.00 C HETATM 1276 C31 PNS A 101 4.563 13.756 -10.302 1.00 0.00 C HETATM 1277 C32 PNS A 101 2.788 13.945 -12.015 1.00 0.00 C HETATM 1278 O33 PNS A 101 1.967 14.832 -12.768 1.00 0.00 O HETATM 1279 C34 PNS A 101 3.538 12.848 -12.716 1.00 0.00 C HETATM 1280 O35 PNS A 101 2.974 11.803 -13.042 1.00 0.00 O HETATM 1281 N36 PNS A 101 4.546 13.373 -13.407 1.00 0.00 N HETATM 1282 C37 PNS A 101 4.422 14.570 -14.233 1.00 0.00 C HETATM 1283 C38 PNS A 101 5.564 14.696 -15.227 1.00 0.00 C HETATM 1284 C39 PNS A 101 6.361 15.972 -15.043 1.00 0.00 C HETATM 1285 O40 PNS A 101 7.108 16.386 -15.929 1.00 0.00 O HETATM 1286 N41 PNS A 101 6.600 16.161 -13.748 1.00 0.00 N HETATM 1287 C42 PNS A 101 7.552 17.142 -13.237 1.00 0.00 C HETATM 1288 C43 PNS A 101 8.223 16.672 -11.956 1.00 0.00 C HETATM 1289 S44 PNS A 101 9.572 17.778 -11.483 1.00 0.00 S HETATM 0 H432 PNS A 101 7.488 16.626 -11.153 1.00 0.00 H new HETATM 0 H431 PNS A 101 8.608 15.662 -12.093 1.00 0.00 H new HETATM 0 H422 PNS A 101 7.037 18.084 -13.052 1.00 0.00 H new HETATM 0 H421 PNS A 101 8.312 17.338 -13.993 1.00 0.00 H new HETATM 0 H382 PNS A 101 5.163 14.665 -16.240 1.00 0.00 H new HETATM 0 H381 PNS A 101 6.229 13.839 -15.121 1.00 0.00 H new HETATM 0 H372 PNS A 101 4.400 15.452 -13.593 1.00 0.00 H new HETATM 0 H371 PNS A 101 3.474 14.543 -14.771 1.00 0.00 H new HETATM 0 H313 PNS A 101 5.320 13.784 -11.086 1.00 0.00 H new HETATM 0 H312 PNS A 101 4.272 12.722 -10.116 1.00 0.00 H new HETATM 0 H311 PNS A 101 4.971 14.188 -9.388 1.00 0.00 H new HETATM 0 H303 PNS A 101 4.517 16.005 -11.780 1.00 0.00 H new HETATM 0 H302 PNS A 101 4.169 16.410 -10.083 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.889 16.550 -11.312 1.00 0.00 H new HETATM 0 H282 PNS A 101 2.445 13.623 -9.028 1.00 0.00 H new HETATM 0 H281 PNS A 101 2.414 15.375 -8.995 1.00 0.00 H new HETATM 0 H44 PNS A 101 10.120 17.349 -10.385 1.00 0.00 H new HETATM 0 H41 PNS A 101 6.090 15.589 -13.075 1.00 0.00 H new HETATM 0 H36 PNS A 101 5.455 12.914 -13.357 1.00 0.00 H new HETATM 0 H33 PNS A 101 1.220 15.137 -12.212 1.00 0.00 H new HETATM 0 H32 PNS A 101 2.058 13.234 -11.629 1.00 0.00 H new