USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 1 GLY N :NH3+ 165:sc= 1.24 (180deg=0) USER MOD Set 1.2: B 5 GLN : amide:sc= 0.165 K(o=1.4,f=-3.3) USER MOD Set 2.1: A 3 MET CE :methyl 150:sc= -0.0145 (180deg=-0.205) USER MOD Set 2.2: B 3 MET CE :methyl 150:sc= -0.011 (180deg=-0.187) USER MOD Set 3.1: A 1 GLY N :NH3+ 164:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 5 GLN : amide:sc= 0.186 K(o=1.4,f=-3.3) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0162 (180deg=-0.144) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc=-0.00788 (180deg=-0.0917) USER MOD Single : A 15 SER OG : rot 29:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.3) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 22 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0933 (180deg=-0.405) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 170:sc= -0.0167 (180deg=-0.137) USER MOD Single : B 9 LYS NZ :NH3+ 172:sc=-0.00751 (180deg=-0.0845) USER MOD Single : B 15 SER OG : rot 5:sc= 1.19 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.4) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : B 22 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= -0.0963 (180deg=-0.414) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.437 6.029 -10.584 1.00 0.00 N ATOM 2 CA GLY A 1 21.853 5.567 -9.238 1.00 0.00 C ATOM 3 C GLY A 1 21.165 4.277 -8.853 1.00 0.00 C ATOM 4 O GLY A 1 20.606 3.590 -9.706 1.00 0.00 O ATOM 0 H1 GLY A 1 21.704 7.027 -10.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.909 5.453 -11.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.406 5.932 -10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.933 5.423 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.622 6.337 -8.501 1.00 0.00 H new ATOM 10 N SER A 2 21.196 3.947 -7.570 1.00 0.00 N ATOM 11 CA SER A 2 20.564 2.731 -7.085 1.00 0.00 C ATOM 12 C SER A 2 20.029 2.933 -5.671 1.00 0.00 C ATOM 13 O SER A 2 18.825 2.834 -5.440 1.00 0.00 O ATOM 14 CB SER A 2 21.556 1.562 -7.122 1.00 0.00 C ATOM 15 OG SER A 2 20.915 0.333 -6.824 1.00 0.00 O ATOM 0 H SER A 2 21.652 4.504 -6.848 1.00 0.00 H new ATOM 0 HA SER A 2 19.725 2.494 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.017 1.504 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.358 1.740 -6.405 1.00 0.00 H new ATOM 0 HG SER A 2 21.571 -0.394 -6.857 1.00 0.00 H new ATOM 21 N MET A 3 20.925 3.242 -4.734 1.00 0.00 N ATOM 22 CA MET A 3 20.554 3.423 -3.331 1.00 0.00 C ATOM 23 C MET A 3 19.488 4.503 -3.167 1.00 0.00 C ATOM 24 O MET A 3 18.440 4.264 -2.567 1.00 0.00 O ATOM 25 CB MET A 3 21.793 3.771 -2.497 1.00 0.00 C ATOM 26 CG MET A 3 21.478 4.239 -1.079 1.00 0.00 C ATOM 27 SD MET A 3 20.454 3.075 -0.153 1.00 0.00 S ATOM 28 CE MET A 3 21.532 1.651 -0.076 1.00 0.00 C ATOM 0 H MET A 3 21.919 3.373 -4.923 1.00 0.00 H new ATOM 0 HA MET A 3 20.133 2.483 -2.974 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.440 2.895 -2.444 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.355 4.552 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.412 4.398 -0.541 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.969 5.202 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.331 1.091 0.837 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.353 1.012 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.571 1.981 -0.078 1.00 0.00 H new ATOM 38 N LYS A 4 19.750 5.680 -3.718 1.00 0.00 N ATOM 39 CA LYS A 4 18.833 6.806 -3.576 1.00 0.00 C ATOM 40 C LYS A 4 17.486 6.501 -4.225 1.00 0.00 C ATOM 41 O LYS A 4 16.437 6.863 -3.697 1.00 0.00 O ATOM 42 CB LYS A 4 19.434 8.074 -4.183 1.00 0.00 C ATOM 43 CG LYS A 4 20.576 8.668 -3.368 1.00 0.00 C ATOM 44 CD LYS A 4 21.153 9.913 -4.028 1.00 0.00 C ATOM 45 CE LYS A 4 20.117 11.020 -4.163 1.00 0.00 C ATOM 46 NZ LYS A 4 19.582 11.456 -2.845 1.00 0.00 N ATOM 0 H LYS A 4 20.586 5.881 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 4 18.672 6.971 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.796 7.848 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.648 8.822 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.218 8.919 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.362 7.923 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.997 10.276 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.538 9.655 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.565 11.874 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.295 10.671 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.013 12.317 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.987 10.702 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.372 11.653 -2.198 1.00 0.00 H new ATOM 60 N GLN A 5 17.527 5.815 -5.356 1.00 0.00 N ATOM 61 CA GLN A 5 16.315 5.465 -6.081 1.00 0.00 C ATOM 62 C GLN A 5 15.516 4.408 -5.329 1.00 0.00 C ATOM 63 O GLN A 5 14.298 4.514 -5.203 1.00 0.00 O ATOM 64 CB GLN A 5 16.663 4.959 -7.480 1.00 0.00 C ATOM 65 CG GLN A 5 17.300 6.015 -8.367 1.00 0.00 C ATOM 66 CD GLN A 5 17.728 5.471 -9.716 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.682 5.965 -10.320 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.031 4.456 -10.201 1.00 0.00 N ATOM 0 H GLN A 5 18.389 5.489 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 5 15.702 6.362 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.343 4.112 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.756 4.592 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.593 6.831 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.168 6.435 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.248 4.075 -9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.277 4.054 -11.106 1.00 0.00 H new ATOM 77 N LEU A 6 16.214 3.405 -4.810 1.00 0.00 N ATOM 78 CA LEU A 6 15.574 2.304 -4.099 1.00 0.00 C ATOM 79 C LEU A 6 14.911 2.818 -2.821 1.00 0.00 C ATOM 80 O LEU A 6 13.822 2.375 -2.450 1.00 0.00 O ATOM 81 CB LEU A 6 16.616 1.212 -3.795 1.00 0.00 C ATOM 82 CG LEU A 6 16.074 -0.190 -3.463 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.617 -0.276 -2.019 1.00 0.00 C ATOM 84 CD2 LEU A 6 14.934 -0.566 -4.400 1.00 0.00 C ATOM 0 H LEU A 6 17.230 3.331 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 6 14.794 1.867 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.278 1.125 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.226 1.548 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 6 16.889 -0.899 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.240 -1.278 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.457 -0.064 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.825 0.452 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.567 -1.561 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.125 0.157 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.293 -0.563 -5.429 1.00 0.00 H new ATOM 96 N GLU A 7 15.557 3.780 -2.166 1.00 0.00 N ATOM 97 CA GLU A 7 14.991 4.400 -0.973 1.00 0.00 C ATOM 98 C GLU A 7 13.746 5.212 -1.319 1.00 0.00 C ATOM 99 O GLU A 7 12.852 5.383 -0.493 1.00 0.00 O ATOM 100 CB GLU A 7 16.022 5.293 -0.287 1.00 0.00 C ATOM 101 CG GLU A 7 17.211 4.536 0.275 1.00 0.00 C ATOM 102 CD GLU A 7 18.204 5.447 0.969 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.192 5.495 2.218 1.00 0.00 O ATOM 104 OE2 GLU A 7 18.990 6.116 0.266 1.00 0.00 O ATOM 0 H GLU A 7 16.469 4.145 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 7 14.706 3.602 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.380 6.034 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.536 5.839 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.858 3.784 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.714 4.004 -0.533 1.00 0.00 H new ATOM 111 N ASP A 8 13.687 5.712 -2.544 1.00 0.00 N ATOM 112 CA ASP A 8 12.506 6.428 -3.005 1.00 0.00 C ATOM 113 C ASP A 8 11.391 5.452 -3.350 1.00 0.00 C ATOM 114 O ASP A 8 10.217 5.775 -3.221 1.00 0.00 O ATOM 115 CB ASP A 8 12.827 7.312 -4.211 1.00 0.00 C ATOM 116 CG ASP A 8 13.300 8.695 -3.805 1.00 0.00 C ATOM 117 OD1 ASP A 8 12.441 9.568 -3.569 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.526 8.904 -3.726 1.00 0.00 O ATOM 0 H ASP A 8 14.436 5.637 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 8 12.171 7.073 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.596 6.831 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.940 7.404 -4.837 1.00 0.00 H new ATOM 123 N LYS A 9 11.767 4.248 -3.770 1.00 0.00 N ATOM 124 CA LYS A 9 10.793 3.220 -4.126 1.00 0.00 C ATOM 125 C LYS A 9 10.008 2.771 -2.896 1.00 0.00 C ATOM 126 O LYS A 9 8.784 2.633 -2.948 1.00 0.00 O ATOM 127 CB LYS A 9 11.488 2.013 -4.768 1.00 0.00 C ATOM 128 CG LYS A 9 12.301 2.354 -6.009 1.00 0.00 C ATOM 129 CD LYS A 9 11.431 2.911 -7.124 1.00 0.00 C ATOM 130 CE LYS A 9 12.267 3.369 -8.311 1.00 0.00 C ATOM 131 NZ LYS A 9 13.074 2.263 -8.893 1.00 0.00 N ATOM 0 H LYS A 9 12.740 3.959 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 9 10.100 3.652 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.145 1.551 -4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.734 1.271 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.069 3.083 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.815 1.460 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.723 2.149 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.846 3.749 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.611 3.780 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.931 4.174 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.520 2.586 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.811 1.978 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.456 1.451 -9.094 1.00 0.00 H new ATOM 145 N VAL A 10 10.714 2.559 -1.788 1.00 0.00 N ATOM 146 CA VAL A 10 10.076 2.117 -0.552 1.00 0.00 C ATOM 147 C VAL A 10 9.175 3.214 0.021 1.00 0.00 C ATOM 148 O VAL A 10 8.132 2.929 0.608 1.00 0.00 O ATOM 149 CB VAL A 10 11.119 1.659 0.503 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.048 2.793 0.900 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.432 1.075 1.729 1.00 0.00 C ATOM 0 H VAL A 10 11.724 2.686 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 10 9.457 1.255 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 10 11.726 0.879 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.764 2.435 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.583 3.150 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.464 3.609 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.184 0.762 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.787 1.830 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.832 0.214 1.434 1.00 0.00 H new ATOM 161 N GLU A 11 9.569 4.471 -0.169 1.00 0.00 N ATOM 162 CA GLU A 11 8.745 5.597 0.254 1.00 0.00 C ATOM 163 C GLU A 11 7.562 5.767 -0.692 1.00 0.00 C ATOM 164 O GLU A 11 6.454 6.081 -0.265 1.00 0.00 O ATOM 165 CB GLU A 11 9.573 6.881 0.304 1.00 0.00 C ATOM 166 CG GLU A 11 10.690 6.839 1.334 1.00 0.00 C ATOM 167 CD GLU A 11 11.527 8.102 1.344 1.00 0.00 C ATOM 168 OE1 GLU A 11 12.411 8.232 0.472 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.307 8.957 2.227 1.00 0.00 O ATOM 0 H GLU A 11 10.450 4.733 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 11 8.368 5.393 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.003 7.066 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.915 7.721 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.260 6.686 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.334 5.983 1.130 1.00 0.00 H new ATOM 176 N GLU A 12 7.808 5.555 -1.979 1.00 0.00 N ATOM 177 CA GLU A 12 6.750 5.611 -2.980 1.00 0.00 C ATOM 178 C GLU A 12 5.646 4.603 -2.664 1.00 0.00 C ATOM 179 O GLU A 12 4.474 4.957 -2.637 1.00 0.00 O ATOM 180 CB GLU A 12 7.312 5.357 -4.380 1.00 0.00 C ATOM 181 CG GLU A 12 6.294 5.562 -5.490 1.00 0.00 C ATOM 182 CD GLU A 12 6.897 5.414 -6.872 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.409 6.420 -7.405 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.856 4.294 -7.419 1.00 0.00 O ATOM 0 H GLU A 12 8.732 5.342 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 12 6.320 6.612 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.160 6.021 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.692 4.337 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.485 4.842 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.854 6.555 -5.395 1.00 0.00 H new ATOM 191 N LEU A 13 6.012 3.350 -2.432 1.00 0.00 N ATOM 192 CA LEU A 13 5.021 2.336 -2.064 1.00 0.00 C ATOM 193 C LEU A 13 4.425 2.584 -0.687 1.00 0.00 C ATOM 194 O LEU A 13 3.277 2.219 -0.435 1.00 0.00 O ATOM 195 CB LEU A 13 5.607 0.933 -2.157 1.00 0.00 C ATOM 196 CG LEU A 13 5.845 0.499 -3.592 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.140 -0.286 -3.715 1.00 0.00 C ATOM 198 CD2 LEU A 13 4.674 -0.330 -4.093 1.00 0.00 C ATOM 0 H LEU A 13 6.972 3.010 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 13 4.207 2.416 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.549 0.898 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.931 0.227 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 13 5.931 1.394 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.287 -0.585 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.975 0.337 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.088 -1.174 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.858 -0.634 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.561 -1.216 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.762 0.265 -4.048 1.00 0.00 H new ATOM 210 N LEU A 14 5.189 3.205 0.200 1.00 0.00 N ATOM 211 CA LEU A 14 4.654 3.629 1.479 1.00 0.00 C ATOM 212 C LEU A 14 3.538 4.646 1.242 1.00 0.00 C ATOM 213 O LEU A 14 2.470 4.562 1.849 1.00 0.00 O ATOM 214 CB LEU A 14 5.791 4.189 2.361 1.00 0.00 C ATOM 215 CG LEU A 14 5.411 4.729 3.749 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.854 6.142 3.657 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.422 3.803 4.451 1.00 0.00 C ATOM 0 H LEU A 14 6.175 3.424 0.056 1.00 0.00 H new ATOM 0 HA LEU A 14 4.223 2.783 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.530 3.400 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.280 4.992 1.810 1.00 0.00 H new ATOM 0 HG LEU A 14 6.322 4.764 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.594 6.496 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.605 6.801 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.963 6.142 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.173 4.212 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.515 3.717 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.870 2.817 4.573 1.00 0.00 H new ATOM 229 N SER A 15 3.771 5.587 0.333 1.00 0.00 N ATOM 230 CA SER A 15 2.742 6.547 -0.026 1.00 0.00 C ATOM 231 C SER A 15 1.645 5.894 -0.867 1.00 0.00 C ATOM 232 O SER A 15 0.480 6.278 -0.757 1.00 0.00 O ATOM 233 CB SER A 15 3.338 7.768 -0.738 1.00 0.00 C ATOM 234 OG SER A 15 4.206 7.398 -1.794 1.00 0.00 O ATOM 0 H SER A 15 4.655 5.702 -0.162 1.00 0.00 H new ATOM 0 HA SER A 15 2.285 6.899 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.532 8.387 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.884 8.377 -0.017 1.00 0.00 H new ATOM 0 HG SER A 15 3.920 6.537 -2.166 1.00 0.00 H new ATOM 240 N LYS A 16 1.995 4.904 -1.700 1.00 0.00 N ATOM 241 CA LYS A 16 0.976 4.159 -2.433 1.00 0.00 C ATOM 242 C LYS A 16 0.010 3.489 -1.464 1.00 0.00 C ATOM 243 O LYS A 16 -1.201 3.665 -1.569 1.00 0.00 O ATOM 244 CB LYS A 16 1.604 3.112 -3.353 1.00 0.00 C ATOM 245 CG LYS A 16 2.304 3.704 -4.564 1.00 0.00 C ATOM 246 CD LYS A 16 2.919 2.631 -5.452 1.00 0.00 C ATOM 247 CE LYS A 16 1.885 1.612 -5.913 1.00 0.00 C ATOM 248 NZ LYS A 16 2.419 0.720 -6.974 1.00 0.00 N ATOM 0 H LYS A 16 2.955 4.609 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 16 0.428 4.869 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.321 2.523 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.827 2.427 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.591 4.289 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.084 4.390 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.379 3.100 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.713 2.121 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.563 1.011 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.004 2.133 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.684 0.042 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.703 1.290 -7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.245 0.203 -6.610 1.00 0.00 H new ATOM 262 N ASN A 17 0.562 2.742 -0.511 1.00 0.00 N ATOM 263 CA ASN A 17 -0.229 2.076 0.518 1.00 0.00 C ATOM 264 C ASN A 17 -1.048 3.090 1.315 1.00 0.00 C ATOM 265 O ASN A 17 -2.218 2.867 1.609 1.00 0.00 O ATOM 266 CB ASN A 17 0.702 1.295 1.456 1.00 0.00 C ATOM 267 CG ASN A 17 -0.039 0.547 2.551 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.422 -0.609 2.380 1.00 0.00 O ATOM 269 ND2 ASN A 17 -0.229 1.194 3.691 1.00 0.00 N ATOM 0 H ASN A 17 1.566 2.582 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.921 1.386 0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.284 0.584 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.410 1.987 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.708 0.734 4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.103 2.153 3.795 1.00 0.00 H new ATOM 276 N TYR A 18 -0.430 4.215 1.647 1.00 0.00 N ATOM 277 CA TYR A 18 -1.092 5.248 2.433 1.00 0.00 C ATOM 278 C TYR A 18 -2.289 5.826 1.680 1.00 0.00 C ATOM 279 O TYR A 18 -3.381 5.959 2.236 1.00 0.00 O ATOM 280 CB TYR A 18 -0.102 6.360 2.786 1.00 0.00 C ATOM 281 CG TYR A 18 -0.667 7.400 3.726 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.762 7.149 5.089 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.107 8.629 3.253 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.279 8.094 5.953 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.623 9.578 4.110 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.708 9.306 5.457 1.00 0.00 C ATOM 287 OH TYR A 18 -2.225 10.251 6.312 1.00 0.00 O ATOM 0 H TYR A 18 0.530 4.436 1.384 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.457 4.793 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.784 5.915 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.222 6.850 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.426 6.200 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.044 8.845 2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.347 7.885 7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.959 10.530 3.726 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.479 11.049 5.803 1.00 0.00 H new ATOM 297 N HIS A 19 -2.089 6.160 0.412 1.00 0.00 N ATOM 298 CA HIS A 19 -3.162 6.719 -0.408 1.00 0.00 C ATOM 299 C HIS A 19 -4.213 5.658 -0.708 1.00 0.00 C ATOM 300 O HIS A 19 -5.401 5.954 -0.826 1.00 0.00 O ATOM 301 CB HIS A 19 -2.612 7.283 -1.722 1.00 0.00 C ATOM 302 CG HIS A 19 -1.645 8.413 -1.546 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.559 8.608 -2.371 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.605 9.411 -0.634 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.107 9.676 -1.974 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.507 10.183 -0.922 1.00 0.00 N ATOM 0 H HIS A 19 -1.197 6.055 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.622 7.531 0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.120 6.480 -2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.446 7.625 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.307 9.571 0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.003 10.068 -2.432 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.214 11.013 -0.407 1.00 0.00 H new ATOM 315 N LEU A 20 -3.765 4.420 -0.815 1.00 0.00 N ATOM 316 CA LEU A 20 -4.636 3.303 -1.099 1.00 0.00 C ATOM 317 C LEU A 20 -5.488 2.965 0.123 1.00 0.00 C ATOM 318 O LEU A 20 -6.633 2.532 -0.003 1.00 0.00 O ATOM 319 CB LEU A 20 -3.777 2.116 -1.514 1.00 0.00 C ATOM 320 CG LEU A 20 -4.526 0.868 -1.940 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.389 1.141 -3.161 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.536 -0.241 -2.222 1.00 0.00 C ATOM 0 H LEU A 20 -2.784 4.164 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.318 3.558 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.134 2.428 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.124 1.857 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.188 0.560 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.915 0.230 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.114 1.921 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.758 1.468 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.073 -1.139 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.861 0.068 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.960 -0.452 -1.321 1.00 0.00 H new ATOM 334 N GLU A 21 -4.922 3.177 1.307 1.00 0.00 N ATOM 335 CA GLU A 21 -5.664 3.013 2.551 1.00 0.00 C ATOM 336 C GLU A 21 -6.773 4.057 2.633 1.00 0.00 C ATOM 337 O GLU A 21 -7.851 3.803 3.175 1.00 0.00 O ATOM 338 CB GLU A 21 -4.715 3.131 3.748 1.00 0.00 C ATOM 339 CG GLU A 21 -5.369 2.827 5.083 1.00 0.00 C ATOM 340 CD GLU A 21 -4.395 2.901 6.242 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.090 4.025 6.691 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.940 1.835 6.701 1.00 0.00 O ATOM 0 H GLU A 21 -3.951 3.463 1.431 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.119 2.023 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.876 2.451 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.306 4.141 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.183 3.531 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.811 1.831 5.048 1.00 0.00 H new ATOM 349 N ASN A 22 -6.501 5.227 2.069 1.00 0.00 N ATOM 350 CA ASN A 22 -7.500 6.286 1.968 1.00 0.00 C ATOM 351 C ASN A 22 -8.620 5.868 1.020 1.00 0.00 C ATOM 352 O ASN A 22 -9.768 6.295 1.160 1.00 0.00 O ATOM 353 CB ASN A 22 -6.860 7.589 1.480 1.00 0.00 C ATOM 354 CG ASN A 22 -6.273 8.412 2.609 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.945 9.281 3.165 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.025 8.146 2.965 1.00 0.00 N ATOM 0 H ASN A 22 -5.593 5.468 1.672 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.919 6.456 2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.076 7.356 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.609 8.182 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.589 8.669 3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.500 7.418 2.480 1.00 0.00 H new ATOM 363 N GLU A 23 -8.277 5.000 0.075 1.00 0.00 N ATOM 364 CA GLU A 23 -9.220 4.533 -0.929 1.00 0.00 C ATOM 365 C GLU A 23 -10.176 3.503 -0.325 1.00 0.00 C ATOM 366 O GLU A 23 -11.340 3.418 -0.711 1.00 0.00 O ATOM 367 CB GLU A 23 -8.463 3.946 -2.124 1.00 0.00 C ATOM 368 CG GLU A 23 -9.348 3.614 -3.314 1.00 0.00 C ATOM 369 CD GLU A 23 -8.551 3.145 -4.517 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.271 1.933 -4.606 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.205 3.989 -5.368 1.00 0.00 O ATOM 0 H GLU A 23 -7.342 4.603 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.814 5.377 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.698 4.655 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.946 3.041 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.059 2.839 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.929 4.495 -3.588 1.00 0.00 H new ATOM 378 N VAL A 24 -9.690 2.730 0.636 1.00 0.00 N ATOM 379 CA VAL A 24 -10.548 1.784 1.336 1.00 0.00 C ATOM 380 C VAL A 24 -11.536 2.546 2.214 1.00 0.00 C ATOM 381 O VAL A 24 -12.704 2.181 2.323 1.00 0.00 O ATOM 382 CB VAL A 24 -9.745 0.802 2.222 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.654 -0.290 2.774 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.590 0.187 1.450 1.00 0.00 C ATOM 0 H VAL A 24 -8.718 2.738 0.946 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.071 1.200 0.578 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.332 1.368 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.070 -0.970 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.443 0.163 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.100 -0.844 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.044 -0.499 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.977 -0.358 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.920 0.976 1.109 1.00 0.00 H new ATOM 394 N ALA A 25 -11.058 3.636 2.804 1.00 0.00 N ATOM 395 CA ALA A 25 -11.865 4.422 3.728 1.00 0.00 C ATOM 396 C ALA A 25 -13.067 5.047 3.032 1.00 0.00 C ATOM 397 O ALA A 25 -14.174 5.013 3.559 1.00 0.00 O ATOM 398 CB ALA A 25 -11.026 5.499 4.393 1.00 0.00 C ATOM 0 H ALA A 25 -10.115 3.995 2.658 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.237 3.742 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.649 6.074 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.210 5.035 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.616 6.163 3.632 1.00 0.00 H new ATOM 404 N ARG A 26 -12.855 5.609 1.847 1.00 0.00 N ATOM 405 CA ARG A 26 -13.939 6.245 1.112 1.00 0.00 C ATOM 406 C ARG A 26 -15.037 5.247 0.767 1.00 0.00 C ATOM 407 O ARG A 26 -16.227 5.555 0.888 1.00 0.00 O ATOM 408 CB ARG A 26 -13.415 6.933 -0.149 1.00 0.00 C ATOM 409 CG ARG A 26 -12.430 6.111 -0.962 1.00 0.00 C ATOM 410 CD ARG A 26 -11.880 6.911 -2.128 1.00 0.00 C ATOM 411 NE ARG A 26 -11.151 8.094 -1.678 1.00 0.00 N ATOM 412 CZ ARG A 26 -10.501 8.924 -2.487 1.00 0.00 C ATOM 413 NH1 ARG A 26 -10.489 8.712 -3.798 1.00 0.00 N ATOM 414 NH2 ARG A 26 -9.871 9.975 -1.982 1.00 0.00 N ATOM 0 H ARG A 26 -11.949 5.637 1.379 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.374 7.006 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.263 7.190 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.936 7.869 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.610 5.784 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.922 5.212 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.218 6.280 -2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.700 7.215 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.140 8.296 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.981 7.908 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.988 9.353 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.886 10.144 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.371 10.615 -2.599 1.00 0.00 H new ATOM 428 N LEU A 27 -14.642 4.050 0.352 1.00 0.00 N ATOM 429 CA LEU A 27 -15.609 2.993 0.084 1.00 0.00 C ATOM 430 C LEU A 27 -16.378 2.627 1.349 1.00 0.00 C ATOM 431 O LEU A 27 -17.569 2.335 1.295 1.00 0.00 O ATOM 432 CB LEU A 27 -14.935 1.745 -0.487 1.00 0.00 C ATOM 433 CG LEU A 27 -14.711 1.739 -2.003 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.851 2.904 -2.451 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.082 0.432 -2.431 1.00 0.00 C ATOM 0 H LEU A 27 -13.669 3.788 0.195 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.307 3.378 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.970 1.620 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.540 0.877 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.685 1.846 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.717 2.863 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.339 3.841 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.878 2.848 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.927 0.439 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.123 0.308 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.742 -0.394 -2.164 1.00 0.00 H new ATOM 447 N LYS A 28 -15.694 2.651 2.489 1.00 0.00 N ATOM 448 CA LYS A 28 -16.333 2.363 3.772 1.00 0.00 C ATOM 449 C LYS A 28 -17.450 3.358 4.091 1.00 0.00 C ATOM 450 O LYS A 28 -18.401 3.021 4.792 1.00 0.00 O ATOM 451 CB LYS A 28 -15.301 2.341 4.903 1.00 0.00 C ATOM 452 CG LYS A 28 -14.360 1.150 4.822 1.00 0.00 C ATOM 453 CD LYS A 28 -13.326 1.148 5.936 1.00 0.00 C ATOM 454 CE LYS A 28 -13.974 1.107 7.311 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.965 1.127 8.404 1.00 0.00 N ATOM 0 H LYS A 28 -14.699 2.866 2.552 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.785 1.374 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.718 3.261 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.820 2.323 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.941 0.229 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.851 1.158 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.668 0.287 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.703 2.039 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.645 1.959 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.584 0.208 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.449 1.098 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.340 0.300 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.399 1.997 8.338 1.00 0.00 H new ATOM 469 N LYS A 29 -17.351 4.580 3.574 1.00 0.00 N ATOM 470 CA LYS A 29 -18.419 5.553 3.741 1.00 0.00 C ATOM 471 C LYS A 29 -19.603 5.202 2.846 1.00 0.00 C ATOM 472 O LYS A 29 -20.745 5.553 3.137 1.00 0.00 O ATOM 473 CB LYS A 29 -17.941 6.969 3.422 1.00 0.00 C ATOM 474 CG LYS A 29 -17.220 7.678 4.562 1.00 0.00 C ATOM 475 CD LYS A 29 -15.927 6.985 4.950 1.00 0.00 C ATOM 476 CE LYS A 29 -15.175 7.762 6.020 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.839 9.140 5.574 1.00 0.00 N ATOM 0 H LYS A 29 -16.548 4.915 3.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.730 5.522 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.274 6.926 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.802 7.569 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.004 8.705 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.878 7.726 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.146 5.982 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.295 6.873 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.780 7.811 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.259 7.231 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.097 9.533 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.497 9.113 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.687 9.739 5.629 1.00 0.00 H new ATOM 491 N LEU A 30 -19.326 4.519 1.751 1.00 0.00 N ATOM 492 CA LEU A 30 -20.377 4.063 0.852 1.00 0.00 C ATOM 493 C LEU A 30 -21.028 2.790 1.384 1.00 0.00 C ATOM 494 O LEU A 30 -22.218 2.553 1.171 1.00 0.00 O ATOM 495 CB LEU A 30 -19.816 3.819 -0.555 1.00 0.00 C ATOM 496 CG LEU A 30 -19.744 5.042 -1.488 1.00 0.00 C ATOM 497 CD1 LEU A 30 -21.136 5.540 -1.847 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.927 6.162 -0.866 1.00 0.00 C ATOM 0 H LEU A 30 -18.382 4.266 1.460 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.135 4.844 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.812 3.407 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.427 3.057 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 30 -19.246 4.724 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.054 6.404 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.687 4.747 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.666 5.826 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.895 7.011 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.386 6.469 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.913 5.810 -0.676 1.00 0.00 H new ATOM 510 N VAL A 31 -20.248 1.974 2.082 1.00 0.00 N ATOM 511 CA VAL A 31 -20.752 0.721 2.630 1.00 0.00 C ATOM 512 C VAL A 31 -21.392 0.937 4.003 1.00 0.00 C ATOM 513 O VAL A 31 -22.352 0.254 4.360 1.00 0.00 O ATOM 514 CB VAL A 31 -19.635 -0.351 2.747 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.208 -1.696 3.172 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.884 -0.495 1.434 1.00 0.00 C ATOM 0 H VAL A 31 -19.265 2.157 2.282 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.508 0.358 1.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.936 -0.017 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.403 -2.427 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.695 -1.594 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.936 -2.031 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.107 -1.252 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.578 -0.796 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.428 0.459 1.169 1.00 0.00 H new ATOM 526 N GLY A 32 -20.882 1.903 4.759 1.00 0.00 N ATOM 527 CA GLY A 32 -21.346 2.095 6.120 1.00 0.00 C ATOM 528 C GLY A 32 -21.673 3.538 6.446 1.00 0.00 C ATOM 529 O GLY A 32 -22.676 3.804 7.111 1.00 0.00 O ATOM 0 H GLY A 32 -20.158 2.554 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.233 1.483 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.582 1.738 6.810 1.00 0.00 H new ATOM 533 N GLU A 33 -20.833 4.465 5.977 1.00 0.00 N ATOM 534 CA GLU A 33 -21.005 5.894 6.248 1.00 0.00 C ATOM 535 C GLU A 33 -20.796 6.194 7.732 1.00 0.00 C ATOM 536 O GLU A 33 -21.778 6.162 8.506 1.00 0.00 O ATOM 537 CB GLU A 33 -22.383 6.380 5.780 1.00 0.00 C ATOM 538 CG GLU A 33 -22.595 7.877 5.936 1.00 0.00 C ATOM 539 CD GLU A 33 -23.938 8.329 5.401 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.948 8.135 6.104 1.00 0.00 O ATOM 541 OE2 GLU A 33 -23.977 8.883 4.284 1.00 0.00 O ATOM 542 OXT GLU A 33 -19.642 6.458 8.122 1.00 0.00 O ATOM 0 H GLU A 33 -20.019 4.247 5.402 1.00 0.00 H new ATOM 0 HA GLU A 33 -20.248 6.438 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.515 6.112 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -23.153 5.853 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.518 8.144 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.801 8.410 5.413 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 21.474 -6.273 9.890 1.00 0.00 N ATOM 551 CA GLY B 1 21.885 -5.805 8.546 1.00 0.00 C ATOM 552 C GLY B 1 21.201 -4.510 8.169 1.00 0.00 C ATOM 553 O GLY B 1 20.652 -3.822 9.030 1.00 0.00 O ATOM 0 H1 GLY B 1 21.753 -7.267 10.012 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.938 -5.692 10.617 1.00 0.00 H new ATOM 0 H3 GLY B 1 20.442 -6.189 9.986 1.00 0.00 H new ATOM 0 HA2 GLY B 1 22.966 -5.665 8.525 1.00 0.00 H new ATOM 0 HA3 GLY B 1 21.648 -6.570 7.807 1.00 0.00 H new ATOM 559 N SER B 2 21.227 -4.174 6.888 1.00 0.00 N ATOM 560 CA SER B 2 20.592 -2.956 6.413 1.00 0.00 C ATOM 561 C SER B 2 20.051 -3.148 4.999 1.00 0.00 C ATOM 562 O SER B 2 18.847 -3.041 4.774 1.00 0.00 O ATOM 563 CB SER B 2 21.582 -1.785 6.455 1.00 0.00 C ATOM 564 OG SER B 2 20.938 -0.553 6.169 1.00 0.00 O ATOM 0 H SER B 2 21.680 -4.727 6.161 1.00 0.00 H new ATOM 0 HA SER B 2 19.755 -2.725 7.072 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.047 -1.735 7.440 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.381 -1.956 5.734 1.00 0.00 H new ATOM 0 HG SER B 2 21.593 0.175 6.205 1.00 0.00 H new ATOM 570 N MET B 3 20.942 -3.454 4.059 1.00 0.00 N ATOM 571 CA MET B 3 20.565 -3.624 2.656 1.00 0.00 C ATOM 572 C MET B 3 19.497 -4.700 2.488 1.00 0.00 C ATOM 573 O MET B 3 18.446 -4.453 1.896 1.00 0.00 O ATOM 574 CB MET B 3 21.800 -3.967 1.814 1.00 0.00 C ATOM 575 CG MET B 3 21.479 -4.419 0.395 1.00 0.00 C ATOM 576 SD MET B 3 20.450 -3.244 -0.510 1.00 0.00 S ATOM 577 CE MET B 3 21.535 -1.824 -0.594 1.00 0.00 C ATOM 0 H MET B 3 21.936 -3.590 4.244 1.00 0.00 H new ATOM 0 HA MET B 3 20.144 -2.681 2.308 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.449 -3.093 1.767 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.362 -4.754 2.316 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.410 -4.572 -0.150 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.971 -5.383 0.434 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.324 -1.258 -1.501 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.371 -1.189 0.276 1.00 0.00 H new ATOM 0 HE3 MET B 3 22.572 -2.159 -0.608 1.00 0.00 H new ATOM 587 N LYS B 4 19.755 -5.882 3.029 1.00 0.00 N ATOM 588 CA LYS B 4 18.834 -7.004 2.878 1.00 0.00 C ATOM 589 C LYS B 4 17.492 -6.702 3.535 1.00 0.00 C ATOM 590 O LYS B 4 16.437 -7.057 3.009 1.00 0.00 O ATOM 591 CB LYS B 4 19.433 -8.281 3.471 1.00 0.00 C ATOM 592 CG LYS B 4 20.578 -8.864 2.651 1.00 0.00 C ATOM 593 CD LYS B 4 21.154 -10.113 3.303 1.00 0.00 C ATOM 594 CE LYS B 4 20.117 -11.218 3.431 1.00 0.00 C ATOM 595 NZ LYS B 4 19.581 -11.641 2.109 1.00 0.00 N ATOM 0 H LYS B 4 20.591 -6.091 3.575 1.00 0.00 H new ATOM 0 HA LYS B 4 18.669 -7.157 1.811 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.792 -8.069 4.478 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.647 -9.030 3.564 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.223 -9.106 1.650 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.363 -8.116 2.538 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.997 -10.474 2.714 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.540 -9.861 4.291 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.564 -12.077 3.932 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.297 -10.873 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 19.010 -12.502 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.988 -10.883 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.370 -11.834 1.460 1.00 0.00 H new ATOM 609 N GLN B 5 17.540 -6.021 4.671 1.00 0.00 N ATOM 610 CA GLN B 5 16.333 -5.674 5.407 1.00 0.00 C ATOM 611 C GLN B 5 15.533 -4.609 4.667 1.00 0.00 C ATOM 612 O GLN B 5 14.315 -4.706 4.552 1.00 0.00 O ATOM 613 CB GLN B 5 16.689 -5.180 6.808 1.00 0.00 C ATOM 614 CG GLN B 5 17.328 -6.244 7.681 1.00 0.00 C ATOM 615 CD GLN B 5 17.766 -5.713 9.030 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.720 -6.212 9.622 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.073 -4.701 9.529 1.00 0.00 N ATOM 0 H GLN B 5 18.405 -5.697 5.104 1.00 0.00 H new ATOM 0 HA GLN B 5 15.719 -6.570 5.492 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.370 -4.333 6.724 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.785 -4.815 7.296 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.620 -7.059 7.829 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.191 -6.662 7.163 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.287 -4.314 9.006 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.325 -4.308 10.436 1.00 0.00 H new ATOM 626 N LEU B 6 16.231 -3.604 4.151 1.00 0.00 N ATOM 627 CA LEU B 6 15.588 -2.498 3.452 1.00 0.00 C ATOM 628 C LEU B 6 14.918 -3.004 2.173 1.00 0.00 C ATOM 629 O LEU B 6 13.823 -2.561 1.816 1.00 0.00 O ATOM 630 CB LEU B 6 16.630 -1.405 3.149 1.00 0.00 C ATOM 631 CG LEU B 6 16.086 -0.001 2.832 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.624 0.098 1.390 1.00 0.00 C ATOM 633 CD2 LEU B 6 14.948 0.368 3.775 1.00 0.00 C ATOM 0 H LEU B 6 17.247 -3.533 4.204 1.00 0.00 H new ATOM 0 HA LEU B 6 14.812 -2.065 4.083 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.299 -1.325 4.006 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.233 -1.735 2.303 1.00 0.00 H new ATOM 0 HG LEU B 6 16.902 0.706 2.978 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.245 1.102 1.197 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.462 -0.107 0.724 1.00 0.00 H new ATOM 0 HD13 LEU B 6 14.832 -0.629 1.211 1.00 0.00 H new ATOM 0 HD21 LEU B 6 14.581 1.365 3.530 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.138 -0.353 3.667 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.309 0.357 4.803 1.00 0.00 H new ATOM 645 N GLU B 7 15.560 -3.958 1.508 1.00 0.00 N ATOM 646 CA GLU B 7 14.991 -4.570 0.312 1.00 0.00 C ATOM 647 C GLU B 7 13.747 -5.384 0.658 1.00 0.00 C ATOM 648 O GLU B 7 12.845 -5.544 -0.164 1.00 0.00 O ATOM 649 CB GLU B 7 16.021 -5.459 -0.383 1.00 0.00 C ATOM 650 CG GLU B 7 17.208 -4.696 -0.940 1.00 0.00 C ATOM 651 CD GLU B 7 18.200 -5.598 -1.644 1.00 0.00 C ATOM 652 OE1 GLU B 7 18.188 -5.631 -2.891 1.00 0.00 O ATOM 653 OE2 GLU B 7 18.983 -6.276 -0.947 1.00 0.00 O ATOM 0 H GLU B 7 16.473 -4.324 1.776 1.00 0.00 H new ATOM 0 HA GLU B 7 14.704 -3.769 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.380 -6.206 0.325 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.533 -5.998 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.853 -3.938 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.712 -4.171 -0.128 1.00 0.00 H new ATOM 660 N ASP B 8 13.695 -5.898 1.879 1.00 0.00 N ATOM 661 CA ASP B 8 12.516 -6.616 2.341 1.00 0.00 C ATOM 662 C ASP B 8 11.404 -5.642 2.700 1.00 0.00 C ATOM 663 O ASP B 8 10.228 -5.967 2.576 1.00 0.00 O ATOM 664 CB ASP B 8 12.842 -7.511 3.539 1.00 0.00 C ATOM 665 CG ASP B 8 13.318 -8.889 3.118 1.00 0.00 C ATOM 666 OD1 ASP B 8 12.458 -9.763 2.880 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.546 -9.096 3.028 1.00 0.00 O ATOM 0 H ASP B 8 14.449 -5.832 2.563 1.00 0.00 H new ATOM 0 HA ASP B 8 12.176 -7.254 1.525 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.611 -7.034 4.147 1.00 0.00 H new ATOM 0 HB3 ASP B 8 11.956 -7.611 4.166 1.00 0.00 H new ATOM 672 N LYS B 9 11.783 -4.440 3.122 1.00 0.00 N ATOM 673 CA LYS B 9 10.812 -3.413 3.491 1.00 0.00 C ATOM 674 C LYS B 9 10.020 -2.952 2.271 1.00 0.00 C ATOM 675 O LYS B 9 8.797 -2.810 2.334 1.00 0.00 O ATOM 676 CB LYS B 9 11.511 -2.211 4.140 1.00 0.00 C ATOM 677 CG LYS B 9 12.327 -2.562 5.376 1.00 0.00 C ATOM 678 CD LYS B 9 11.460 -3.126 6.490 1.00 0.00 C ATOM 679 CE LYS B 9 12.302 -3.595 7.669 1.00 0.00 C ATOM 680 NZ LYS B 9 13.111 -2.496 8.261 1.00 0.00 N ATOM 0 H LYS B 9 12.757 -4.152 3.217 1.00 0.00 H new ATOM 0 HA LYS B 9 10.123 -3.851 4.213 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.167 -1.745 3.405 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.759 -1.470 4.412 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.094 -3.290 5.110 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.844 -1.672 5.734 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.755 -2.365 6.825 1.00 0.00 H new ATOM 0 HD3 LYS B 9 10.871 -3.960 6.108 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.649 -4.015 8.434 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.966 -4.396 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.560 -2.829 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.845 -2.203 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.494 -1.687 8.474 1.00 0.00 H new ATOM 694 N VAL B 10 10.719 -2.734 1.160 1.00 0.00 N ATOM 695 CA VAL B 10 10.075 -2.281 -0.070 1.00 0.00 C ATOM 696 C VAL B 10 9.170 -3.373 -0.646 1.00 0.00 C ATOM 697 O VAL B 10 8.121 -3.084 -1.220 1.00 0.00 O ATOM 698 CB VAL B 10 11.113 -1.817 -1.126 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.038 -2.949 -1.540 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.424 -1.223 -2.345 1.00 0.00 C ATOM 0 H VAL B 10 11.728 -2.863 1.086 1.00 0.00 H new ATOM 0 HA VAL B 10 9.458 -1.419 0.185 1.00 0.00 H new ATOM 0 HB VAL B 10 11.721 -1.042 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.750 -2.585 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.578 -3.316 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.450 -3.760 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL B 10 11.175 -0.906 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.776 -1.973 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.826 -0.363 -2.042 1.00 0.00 H new ATOM 710 N GLU B 11 9.565 -4.629 -0.469 1.00 0.00 N ATOM 711 CA GLU B 11 8.741 -5.753 -0.898 1.00 0.00 C ATOM 712 C GLU B 11 7.561 -5.937 0.051 1.00 0.00 C ATOM 713 O GLU B 11 6.455 -6.263 -0.378 1.00 0.00 O ATOM 714 CB GLU B 11 9.570 -7.034 -0.964 1.00 0.00 C ATOM 715 CG GLU B 11 10.683 -6.985 -1.997 1.00 0.00 C ATOM 716 CD GLU B 11 11.516 -8.253 -2.023 1.00 0.00 C ATOM 717 OE1 GLU B 11 12.417 -8.387 -1.170 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.267 -9.109 -2.896 1.00 0.00 O ATOM 0 H GLU B 11 10.448 -4.894 -0.033 1.00 0.00 H new ATOM 0 HA GLU B 11 8.359 -5.537 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.004 -7.227 0.017 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.911 -7.872 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.250 -6.820 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.331 -6.134 -1.787 1.00 0.00 H new ATOM 725 N GLU B 12 7.809 -5.729 1.341 1.00 0.00 N ATOM 726 CA GLU B 12 6.755 -5.792 2.347 1.00 0.00 C ATOM 727 C GLU B 12 5.650 -4.783 2.042 1.00 0.00 C ATOM 728 O GLU B 12 4.478 -5.137 2.013 1.00 0.00 O ATOM 729 CB GLU B 12 7.325 -5.547 3.747 1.00 0.00 C ATOM 730 CG GLU B 12 6.313 -5.758 4.864 1.00 0.00 C ATOM 731 CD GLU B 12 6.927 -5.617 6.245 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.438 -6.626 6.773 1.00 0.00 O ATOM 733 OE2 GLU B 12 6.894 -4.499 6.797 1.00 0.00 O ATOM 0 H GLU B 12 8.734 -5.515 1.714 1.00 0.00 H new ATOM 0 HA GLU B 12 6.325 -6.793 2.318 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.173 -6.213 3.906 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.706 -4.527 3.801 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.503 -5.037 4.756 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.872 -6.750 4.767 1.00 0.00 H new ATOM 740 N LEU B 13 6.016 -3.526 1.819 1.00 0.00 N ATOM 741 CA LEU B 13 5.027 -2.506 1.461 1.00 0.00 C ATOM 742 C LEU B 13 4.425 -2.744 0.085 1.00 0.00 C ATOM 743 O LEU B 13 3.278 -2.375 -0.159 1.00 0.00 O ATOM 744 CB LEU B 13 5.616 -1.106 1.563 1.00 0.00 C ATOM 745 CG LEU B 13 5.861 -0.680 2.998 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.158 0.103 3.119 1.00 0.00 C ATOM 747 CD2 LEU B 13 4.693 0.147 3.509 1.00 0.00 C ATOM 0 H LEU B 13 6.976 -3.188 1.878 1.00 0.00 H new ATOM 0 HA LEU B 13 4.216 -2.588 2.184 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.556 -1.070 1.012 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.940 -0.396 1.087 1.00 0.00 H new ATOM 0 HG LEU B 13 5.950 -1.578 3.610 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.310 0.397 4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.991 -0.520 2.792 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.104 0.994 2.494 1.00 0.00 H new ATOM 0 HD21 LEU B 13 4.882 0.446 4.540 1.00 0.00 H new ATOM 0 HD22 LEU B 13 4.578 1.036 2.889 1.00 0.00 H new ATOM 0 HD23 LEU B 13 3.780 -0.447 3.465 1.00 0.00 H new ATOM 759 N LEU B 14 5.186 -3.357 -0.809 1.00 0.00 N ATOM 760 CA LEU B 14 4.644 -3.771 -2.089 1.00 0.00 C ATOM 761 C LEU B 14 3.526 -4.787 -1.854 1.00 0.00 C ATOM 762 O LEU B 14 2.455 -4.693 -2.454 1.00 0.00 O ATOM 763 CB LEU B 14 5.774 -4.328 -2.980 1.00 0.00 C ATOM 764 CG LEU B 14 5.387 -4.855 -4.372 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.831 -6.265 -4.287 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.398 -3.925 -5.065 1.00 0.00 C ATOM 0 H LEU B 14 6.173 -3.576 -0.671 1.00 0.00 H new ATOM 0 HA LEU B 14 4.213 -2.920 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.516 -3.541 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.262 -5.138 -2.437 1.00 0.00 H new ATOM 0 HG LEU B 14 6.295 -4.884 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.566 -6.612 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.584 -6.928 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.944 -6.269 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.146 -4.328 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.493 -3.843 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.847 -2.939 -5.182 1.00 0.00 H new ATOM 778 N SER B 15 3.762 -5.735 -0.953 1.00 0.00 N ATOM 779 CA SER B 15 2.732 -6.695 -0.599 1.00 0.00 C ATOM 780 C SER B 15 1.639 -6.049 0.251 1.00 0.00 C ATOM 781 O SER B 15 0.474 -6.431 0.141 1.00 0.00 O ATOM 782 CB SER B 15 3.326 -7.925 0.100 1.00 0.00 C ATOM 783 OG SER B 15 4.205 -7.572 1.153 1.00 0.00 O ATOM 0 H SER B 15 4.648 -5.856 -0.462 1.00 0.00 H new ATOM 0 HA SER B 15 2.272 -7.036 -1.526 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.518 -8.541 0.495 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.862 -8.532 -0.630 1.00 0.00 H new ATOM 0 HG SER B 15 4.200 -6.599 1.271 1.00 0.00 H new ATOM 789 N LYS B 16 1.992 -5.067 1.094 1.00 0.00 N ATOM 790 CA LYS B 16 0.978 -4.326 1.836 1.00 0.00 C ATOM 791 C LYS B 16 0.010 -3.650 0.874 1.00 0.00 C ATOM 792 O LYS B 16 -1.201 -3.833 0.976 1.00 0.00 O ATOM 793 CB LYS B 16 1.613 -3.284 2.759 1.00 0.00 C ATOM 794 CG LYS B 16 2.319 -3.888 3.961 1.00 0.00 C ATOM 795 CD LYS B 16 2.941 -2.824 4.853 1.00 0.00 C ATOM 796 CE LYS B 16 1.913 -1.808 5.330 1.00 0.00 C ATOM 797 NZ LYS B 16 2.459 -0.929 6.396 1.00 0.00 N ATOM 0 H LYS B 16 2.953 -4.776 1.273 1.00 0.00 H new ATOM 0 HA LYS B 16 0.431 -5.037 2.455 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.328 -2.692 2.188 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.839 -2.600 3.108 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.608 -4.476 4.541 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.095 -4.573 3.619 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.407 -3.301 5.715 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.732 -2.310 4.307 1.00 0.00 H new ATOM 0 HE2 LYS B 16 1.587 -1.198 4.488 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.033 -2.330 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 1.729 -0.251 6.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 2.747 -1.508 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 3.284 -0.411 6.031 1.00 0.00 H new ATOM 811 N ASN B 17 0.561 -2.897 -0.074 1.00 0.00 N ATOM 812 CA ASN B 17 -0.232 -2.222 -1.096 1.00 0.00 C ATOM 813 C ASN B 17 -1.055 -3.229 -1.898 1.00 0.00 C ATOM 814 O ASN B 17 -2.226 -3.003 -2.186 1.00 0.00 O ATOM 815 CB ASN B 17 0.697 -1.435 -2.030 1.00 0.00 C ATOM 816 CG ASN B 17 -0.047 -0.681 -3.117 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.434 0.472 -2.937 1.00 0.00 O ATOM 818 ND2 ASN B 17 -0.236 -1.319 -4.261 1.00 0.00 N ATOM 0 H ASN B 17 1.565 -2.738 -0.155 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.922 -1.534 -0.607 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.280 -0.728 -1.440 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.404 -2.123 -2.493 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.717 -0.854 -5.031 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.100 -2.276 -4.373 1.00 0.00 H new ATOM 825 N TYR B 18 -0.440 -4.352 -2.242 1.00 0.00 N ATOM 826 CA TYR B 18 -1.104 -5.378 -3.032 1.00 0.00 C ATOM 827 C TYR B 18 -2.300 -5.961 -2.281 1.00 0.00 C ATOM 828 O TYR B 18 -3.394 -6.087 -2.832 1.00 0.00 O ATOM 829 CB TYR B 18 -0.116 -6.489 -3.396 1.00 0.00 C ATOM 830 CG TYR B 18 -0.685 -7.521 -4.344 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.784 -7.257 -5.704 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.124 -8.755 -3.880 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.303 -8.193 -6.575 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.644 -9.696 -4.745 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.732 -9.409 -6.092 1.00 0.00 C ATOM 836 OH TYR B 18 -2.248 -10.343 -6.960 1.00 0.00 O ATOM 0 H TYR B 18 0.521 -4.576 -1.985 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.471 -4.915 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.769 -6.042 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.209 -6.987 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.449 -6.304 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.057 -8.981 -2.826 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.372 -7.973 -7.630 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.980 -10.651 -4.370 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.503 -11.147 -6.461 1.00 0.00 H new ATOM 846 N HIS B 19 -2.094 -6.305 -1.017 1.00 0.00 N ATOM 847 CA HIS B 19 -3.162 -6.869 -0.198 1.00 0.00 C ATOM 848 C HIS B 19 -4.212 -5.808 0.111 1.00 0.00 C ATOM 849 O HIS B 19 -5.398 -6.103 0.224 1.00 0.00 O ATOM 850 CB HIS B 19 -2.607 -7.441 1.109 1.00 0.00 C ATOM 851 CG HIS B 19 -1.641 -8.570 0.919 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.558 -8.777 1.746 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.603 -9.562 -0.001 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.105 -9.842 1.339 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.509 -10.339 0.281 1.00 0.00 N ATOM 0 H HIS B 19 -1.200 -6.204 -0.536 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.625 -7.678 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.112 -6.642 1.662 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.438 -7.787 1.724 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.305 -9.714 -0.808 1.00 0.00 H new ATOM 0 HE1 HIS B 19 1.000 -10.240 1.794 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.217 -11.165 -0.241 1.00 0.00 H new ATOM 864 N LEU B 20 -3.761 -4.570 0.229 1.00 0.00 N ATOM 865 CA LEU B 20 -4.631 -3.455 0.529 1.00 0.00 C ATOM 866 C LEU B 20 -5.488 -3.107 -0.684 1.00 0.00 C ATOM 867 O LEU B 20 -6.633 -2.676 -0.549 1.00 0.00 O ATOM 868 CB LEU B 20 -3.770 -2.271 0.952 1.00 0.00 C ATOM 869 CG LEU B 20 -4.517 -1.026 1.388 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.375 -1.308 2.611 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.526 0.084 1.674 1.00 0.00 C ATOM 0 H LEU B 20 -2.780 -4.314 0.119 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.309 -3.717 1.341 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.127 -2.590 1.772 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.118 -2.006 0.120 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.182 -0.713 0.583 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.901 -0.399 2.904 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.100 -2.087 2.375 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.740 -1.641 3.432 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.063 0.979 1.987 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.848 -0.229 2.468 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.953 0.302 0.773 1.00 0.00 H new ATOM 883 N GLU B 21 -4.930 -3.312 -1.873 1.00 0.00 N ATOM 884 CA GLU B 21 -5.678 -3.136 -3.112 1.00 0.00 C ATOM 885 C GLU B 21 -6.787 -4.178 -3.196 1.00 0.00 C ATOM 886 O GLU B 21 -7.869 -3.917 -3.726 1.00 0.00 O ATOM 887 CB GLU B 21 -4.735 -3.250 -4.315 1.00 0.00 C ATOM 888 CG GLU B 21 -5.396 -2.941 -5.647 1.00 0.00 C ATOM 889 CD GLU B 21 -4.425 -2.994 -6.809 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.106 -4.112 -7.266 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.989 -1.918 -7.265 1.00 0.00 O ATOM 0 H GLU B 21 -3.961 -3.601 -2.004 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.130 -2.144 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.895 -2.571 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.326 -4.260 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.203 -3.653 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.848 -1.950 -5.602 1.00 0.00 H new ATOM 898 N ASN B 22 -6.513 -5.354 -2.644 1.00 0.00 N ATOM 899 CA ASN B 22 -7.513 -6.410 -2.548 1.00 0.00 C ATOM 900 C ASN B 22 -8.628 -5.997 -1.593 1.00 0.00 C ATOM 901 O ASN B 22 -9.775 -6.419 -1.730 1.00 0.00 O ATOM 902 CB ASN B 22 -6.876 -7.718 -2.076 1.00 0.00 C ATOM 903 CG ASN B 22 -6.295 -8.529 -3.217 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.972 -9.380 -3.790 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.044 -8.270 -3.565 1.00 0.00 N ATOM 0 H ASN B 22 -5.603 -5.601 -2.255 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.937 -6.570 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.089 -7.495 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.625 -8.315 -1.555 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.611 -8.784 -4.332 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.513 -7.556 -3.066 1.00 0.00 H new ATOM 912 N GLU B 23 -8.279 -5.139 -0.643 1.00 0.00 N ATOM 913 CA GLU B 23 -9.219 -4.682 0.367 1.00 0.00 C ATOM 914 C GLU B 23 -10.176 -3.648 -0.223 1.00 0.00 C ATOM 915 O GLU B 23 -11.340 -3.569 0.168 1.00 0.00 O ATOM 916 CB GLU B 23 -8.461 -4.102 1.563 1.00 0.00 C ATOM 917 CG GLU B 23 -9.343 -3.778 2.756 1.00 0.00 C ATOM 918 CD GLU B 23 -8.542 -3.328 3.962 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.232 -2.123 4.054 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.223 -4.183 4.813 1.00 0.00 O ATOM 0 H GLU B 23 -7.343 -4.744 -0.553 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.810 -5.531 0.710 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.695 -4.812 1.873 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.946 -3.194 1.248 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.050 -2.995 2.480 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.929 -4.658 3.020 1.00 0.00 H new ATOM 927 N VAL B 24 -9.693 -2.866 -1.177 1.00 0.00 N ATOM 928 CA VAL B 24 -10.554 -1.913 -1.868 1.00 0.00 C ATOM 929 C VAL B 24 -11.547 -2.670 -2.745 1.00 0.00 C ATOM 930 O VAL B 24 -12.719 -2.309 -2.840 1.00 0.00 O ATOM 931 CB VAL B 24 -9.753 -0.926 -2.751 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.663 0.170 -3.294 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.594 -0.315 -1.979 1.00 0.00 C ATOM 0 H VAL B 24 -8.722 -2.870 -1.489 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.073 -1.332 -1.106 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.343 -1.488 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.081 0.853 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.454 -0.278 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.106 0.720 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.050 0.374 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.978 0.225 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.923 -1.106 -1.644 1.00 0.00 H new ATOM 943 N ALA B 25 -11.073 -3.752 -3.349 1.00 0.00 N ATOM 944 CA ALA B 25 -11.884 -4.532 -4.274 1.00 0.00 C ATOM 945 C ALA B 25 -13.085 -5.158 -3.578 1.00 0.00 C ATOM 946 O ALA B 25 -14.194 -5.115 -4.100 1.00 0.00 O ATOM 947 CB ALA B 25 -11.050 -5.608 -4.949 1.00 0.00 C ATOM 0 H ALA B 25 -10.128 -4.110 -3.214 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.256 -3.846 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.677 -6.177 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.235 -5.142 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.639 -6.277 -4.193 1.00 0.00 H new ATOM 953 N ARG B 26 -12.868 -5.732 -2.398 1.00 0.00 N ATOM 954 CA ARG B 26 -13.949 -6.370 -1.661 1.00 0.00 C ATOM 955 C ARG B 26 -15.042 -5.370 -1.306 1.00 0.00 C ATOM 956 O ARG B 26 -16.234 -5.670 -1.432 1.00 0.00 O ATOM 957 CB ARG B 26 -13.422 -7.067 -0.406 1.00 0.00 C ATOM 958 CG ARG B 26 -12.431 -6.254 0.407 1.00 0.00 C ATOM 959 CD ARG B 26 -11.880 -7.063 1.567 1.00 0.00 C ATOM 960 NE ARG B 26 -11.156 -8.246 1.105 1.00 0.00 N ATOM 961 CZ ARG B 26 -10.503 -9.082 1.905 1.00 0.00 C ATOM 962 NH1 ARG B 26 -10.472 -8.869 3.213 1.00 0.00 N ATOM 963 NH2 ARG B 26 -9.879 -10.134 1.391 1.00 0.00 N ATOM 0 H ARG B 26 -11.959 -5.767 -1.936 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.388 -7.128 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.268 -7.325 0.231 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.947 -8.003 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.612 -5.927 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -12.918 -5.355 0.785 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.214 -6.438 2.163 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.698 -7.369 2.219 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.152 -8.442 0.104 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.951 -8.060 3.610 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -9.969 -9.514 3.823 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.902 -10.299 0.385 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.377 -10.778 2.002 1.00 0.00 H new ATOM 977 N LEU B 27 -14.646 -4.178 -0.883 1.00 0.00 N ATOM 978 CA LEU B 27 -15.612 -3.121 -0.604 1.00 0.00 C ATOM 979 C LEU B 27 -16.385 -2.746 -1.863 1.00 0.00 C ATOM 980 O LEU B 27 -17.575 -2.455 -1.802 1.00 0.00 O ATOM 981 CB LEU B 27 -14.933 -1.879 -0.027 1.00 0.00 C ATOM 982 CG LEU B 27 -14.705 -1.885 1.489 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.841 -3.052 1.928 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.072 -0.583 1.923 1.00 0.00 C ATOM 0 H LEU B 27 -13.672 -3.918 -0.726 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.308 -3.509 0.139 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.969 -1.754 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.536 -1.007 -0.281 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.678 -1.996 1.967 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.705 -3.018 3.009 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.327 -3.988 1.653 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.869 -2.990 1.438 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.914 -0.597 3.001 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.114 -0.458 1.418 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.730 0.246 1.663 1.00 0.00 H new ATOM 996 N LYS B 28 -15.706 -2.763 -3.006 1.00 0.00 N ATOM 997 CA LYS B 28 -16.350 -2.465 -4.285 1.00 0.00 C ATOM 998 C LYS B 28 -17.472 -3.454 -4.603 1.00 0.00 C ATOM 999 O LYS B 28 -18.430 -3.106 -5.287 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.322 -2.437 -5.420 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.379 -1.248 -5.339 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.350 -1.244 -6.457 1.00 0.00 C ATOM 1003 CE LYS B 28 -14.004 -1.193 -7.830 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.998 -1.199 -8.924 1.00 0.00 N ATOM 0 H LYS B 28 -14.712 -2.979 -3.075 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.799 -1.476 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.739 -3.358 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.845 -2.414 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.958 -0.326 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.866 -1.260 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.688 -0.386 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.730 -2.138 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.671 -2.047 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.618 -0.296 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.484 -1.163 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.377 -0.371 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.428 -2.067 -8.867 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.371 -4.680 -4.102 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.444 -5.647 -4.275 1.00 0.00 C ATOM 1020 C LYS B 29 -19.620 -5.299 -3.370 1.00 0.00 C ATOM 1021 O LYS B 29 -20.763 -5.634 -3.661 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.971 -7.072 -3.975 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.247 -7.782 -5.118 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.958 -7.081 -5.506 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.206 -7.849 -6.579 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.865 -9.229 -6.140 1.00 0.00 N ATOM 0 H LYS B 29 -16.566 -5.024 -3.579 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.759 -5.604 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.306 -7.041 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.836 -7.670 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.026 -8.808 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.905 -7.834 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.183 -6.077 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.325 -6.969 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.812 -7.896 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.292 -7.313 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.123 -9.616 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.522 -9.206 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.711 -9.831 -6.197 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.332 -4.634 -2.266 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.378 -4.183 -1.358 1.00 0.00 C ATOM 1042 C LEU B 30 -21.032 -2.907 -1.881 1.00 0.00 C ATOM 1043 O LEU B 30 -22.221 -2.674 -1.664 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.814 -3.949 0.049 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.742 -5.179 0.973 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -21.133 -5.680 1.334 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.927 -6.296 0.337 1.00 0.00 C ATOM 0 H LEU B 30 -18.385 -4.393 -1.974 1.00 0.00 H new ATOM 0 HA LEU B 30 -21.135 -4.965 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.810 -3.537 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.423 -3.189 0.539 1.00 0.00 H new ATOM 0 HG LEU B 30 -19.242 -4.868 1.890 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -21.049 -6.549 1.987 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -21.682 -4.891 1.849 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -21.666 -5.959 0.425 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.893 -7.151 1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.390 -6.594 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.913 -5.944 0.147 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.253 -2.085 -2.574 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.760 -0.828 -3.111 1.00 0.00 C ATOM 1061 C VAL B 31 -21.409 -1.034 -4.481 1.00 0.00 C ATOM 1062 O VAL B 31 -22.372 -0.348 -4.827 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.644 0.244 -3.227 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.221 1.590 -3.641 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.888 0.376 -1.917 1.00 0.00 C ATOM 0 H VAL B 31 -19.270 -2.266 -2.777 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.511 -0.470 -2.407 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.947 -0.082 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.418 2.323 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.714 1.493 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.946 1.920 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.110 1.133 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.578 0.671 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.432 -0.581 -1.662 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.902 -1.994 -5.247 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.375 -2.177 -6.604 1.00 0.00 C ATOM 1077 C GLY B 32 -21.702 -3.618 -6.941 1.00 0.00 C ATOM 1078 O GLY B 32 -22.703 -3.880 -7.607 1.00 0.00 O ATOM 0 H GLY B 32 -20.175 -2.646 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.265 -1.566 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.616 -1.813 -7.297 1.00 0.00 H new ATOM 1082 N GLU B 33 -20.859 -4.547 -6.483 1.00 0.00 N ATOM 1083 CA GLU B 33 -21.030 -5.973 -6.767 1.00 0.00 C ATOM 1084 C GLU B 33 -20.822 -6.252 -8.254 1.00 0.00 C ATOM 1085 O GLU B 33 -21.799 -6.197 -9.025 1.00 0.00 O ATOM 1086 CB GLU B 33 -22.411 -6.464 -6.304 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.626 -7.961 -6.467 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.969 -8.411 -5.928 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.985 -8.215 -6.626 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -24.005 -8.963 -4.808 1.00 0.00 O ATOM 1091 OXT GLU B 33 -19.666 -6.512 -8.646 1.00 0.00 O ATOM 0 H GLU B 33 -20.044 -4.333 -5.908 1.00 0.00 H new ATOM 0 HA GLU B 33 -20.275 -6.525 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.545 -6.201 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -23.180 -5.934 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.554 -8.223 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -21.831 -8.498 -5.950 1.00 0.00 H new TER 1098 GLU B 33