USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 174:sc= 0.421 (180deg=0) USER MOD Set 1.2: A 50 SER OG : rot -50:sc= 0.202 USER MOD Single : A 0 SER OG : rot 14:sc= 0.388 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 2.08 (180deg=1.9) USER MOD Single : A -1 GLY N :NH3+ -164:sc= 1.32 (180deg=0.934!) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.1 (180deg=0.603) USER MOD Single : A 13 LYS NZ :NH3+ 142:sc= 0.392 (180deg=0.212) USER MOD Single : A 19 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.51) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 2.44 (180deg=2.23) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -2.61! C(o=-4!,f=-2.6!) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0952 (180deg=-0.511) USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 2.36 (180deg=0.529) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.15! USER MOD Single : A 41 THR OG1 : rot 110:sc= -0.63 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.119) USER MOD Single : A 49 THR OG1 : rot -1:sc= -1.64 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.162 (180deg=-0.567) USER MOD Single : A 56 TYR OH : rot 59:sc= 1.21 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0.955 (180deg=0.87) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= -1.53 (180deg=-2.73!) USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= -0.268 (180deg=-1.74!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 133:sc= -1.03 (180deg=-3.35!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 71:sc= -1.98! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.414 9.233 3.105 1.00 0.00 N ATOM 2 CA GLY A -1 8.041 8.184 3.941 1.00 0.00 C ATOM 3 C GLY A -1 7.522 6.803 3.604 1.00 0.00 C ATOM 4 O GLY A -1 6.316 6.604 3.482 1.00 0.00 O ATOM 0 H1 GLY A -1 7.974 10.107 3.167 1.00 0.00 H new ATOM 0 H2 GLY A -1 7.379 8.914 2.116 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.448 9.416 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.122 8.208 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.849 8.396 4.993 1.00 0.00 H new ATOM 10 N SER A 0 8.432 5.853 3.441 1.00 0.00 N ATOM 11 CA SER A 0 8.062 4.475 3.151 1.00 0.00 C ATOM 12 C SER A 0 8.977 3.525 3.917 1.00 0.00 C ATOM 13 O SER A 0 9.207 2.387 3.505 1.00 0.00 O ATOM 14 CB SER A 0 8.157 4.220 1.645 1.00 0.00 C ATOM 15 OG SER A 0 9.418 4.624 1.134 1.00 0.00 O ATOM 0 H SER A 0 9.437 6.013 3.505 1.00 0.00 H new ATOM 0 HA SER A 0 7.034 4.299 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.002 3.160 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 0 7.363 4.762 1.131 1.00 0.00 H new ATOM 0 HG SER A 0 10.039 4.776 1.877 1.00 0.00 H new ATOM 21 N LEU A 1 9.456 3.998 5.063 1.00 0.00 N ATOM 22 CA LEU A 1 10.508 3.310 5.793 1.00 0.00 C ATOM 23 C LEU A 1 10.066 1.974 6.380 1.00 0.00 C ATOM 24 O LEU A 1 9.008 1.837 6.994 1.00 0.00 O ATOM 25 CB LEU A 1 11.178 4.205 6.869 1.00 0.00 C ATOM 26 CG LEU A 1 10.289 5.114 7.756 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.673 6.247 6.947 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.213 4.328 8.491 1.00 0.00 C ATOM 0 H LEU A 1 9.130 4.857 5.505 1.00 0.00 H new ATOM 0 HA LEU A 1 11.266 3.084 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.745 3.552 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.898 4.846 6.361 1.00 0.00 H new ATOM 0 HG LEU A 1 10.944 5.550 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.056 6.866 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.465 6.856 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.056 5.832 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.617 5.008 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.569 3.829 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.682 3.583 9.134 1.00 0.00 H new ATOM 40 N ILE A 2 10.892 0.980 6.121 1.00 0.00 N ATOM 41 CA ILE A 2 10.768 -0.333 6.720 1.00 0.00 C ATOM 42 C ILE A 2 12.169 -0.943 6.764 1.00 0.00 C ATOM 43 O ILE A 2 12.366 -2.132 6.992 1.00 0.00 O ATOM 44 CB ILE A 2 9.786 -1.225 5.918 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.387 -2.466 6.723 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.386 -1.624 4.578 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.611 -2.150 7.984 1.00 0.00 C ATOM 0 H ILE A 2 11.680 1.064 5.479 1.00 0.00 H new ATOM 0 HA ILE A 2 10.357 -0.257 7.727 1.00 0.00 H new ATOM 0 HB ILE A 2 8.885 -0.642 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.786 -3.120 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.287 -3.020 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.678 -2.249 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.602 -0.729 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.309 -2.180 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.363 -3.077 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.217 -1.522 8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.693 -1.623 7.724 1.00 0.00 H new ATOM 59 N LEU A 3 13.136 -0.058 6.571 1.00 0.00 N ATOM 60 CA LEU A 3 14.548 -0.394 6.493 1.00 0.00 C ATOM 61 C LEU A 3 15.347 0.786 7.026 1.00 0.00 C ATOM 62 O LEU A 3 14.840 1.911 7.059 1.00 0.00 O ATOM 63 CB LEU A 3 14.931 -0.728 5.044 1.00 0.00 C ATOM 64 CG LEU A 3 14.363 0.211 3.977 1.00 0.00 C ATOM 65 CD1 LEU A 3 15.091 1.545 3.988 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.436 -0.434 2.602 1.00 0.00 C ATOM 0 H LEU A 3 12.954 0.940 6.462 1.00 0.00 H new ATOM 0 HA LEU A 3 14.768 -1.275 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.018 -0.724 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.599 -1.742 4.824 1.00 0.00 H new ATOM 0 HG LEU A 3 13.315 0.398 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.670 2.196 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.976 2.014 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.150 1.383 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.027 0.249 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.475 -0.656 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.858 -1.358 2.602 1.00 0.00 H new ATOM 78 N ASP A 4 16.571 0.546 7.459 1.00 0.00 N ATOM 79 CA ASP A 4 17.400 1.622 7.997 1.00 0.00 C ATOM 80 C ASP A 4 17.906 2.497 6.865 1.00 0.00 C ATOM 81 O ASP A 4 18.138 3.694 7.036 1.00 0.00 O ATOM 82 CB ASP A 4 18.573 1.056 8.798 1.00 0.00 C ATOM 83 CG ASP A 4 18.112 0.297 10.023 1.00 0.00 C ATOM 84 OD1 ASP A 4 18.001 -0.945 9.951 1.00 0.00 O ATOM 85 OD2 ASP A 4 17.846 0.938 11.062 1.00 0.00 O ATOM 0 H ASP A 4 17.014 -0.373 7.452 1.00 0.00 H new ATOM 0 HA ASP A 4 16.792 2.226 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.160 0.394 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.230 1.871 9.103 1.00 0.00 H new ATOM 90 N GLY A 5 18.062 1.879 5.711 1.00 0.00 N ATOM 91 CA GLY A 5 18.470 2.583 4.518 1.00 0.00 C ATOM 92 C GLY A 5 18.982 1.603 3.499 1.00 0.00 C ATOM 93 O GLY A 5 19.979 1.853 2.818 1.00 0.00 O ATOM 0 H GLY A 5 17.910 0.879 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.628 3.141 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.246 3.309 4.760 1.00 0.00 H new ATOM 97 N ASP A 6 18.289 0.477 3.395 1.00 0.00 N ATOM 98 CA ASP A 6 18.798 -0.656 2.640 1.00 0.00 C ATOM 99 C ASP A 6 17.676 -1.597 2.200 1.00 0.00 C ATOM 100 O ASP A 6 17.214 -1.505 1.067 1.00 0.00 O ATOM 101 CB ASP A 6 19.873 -1.408 3.457 1.00 0.00 C ATOM 102 CG ASP A 6 19.412 -1.876 4.836 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.002 -2.841 5.359 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.454 -1.295 5.399 1.00 0.00 O ATOM 0 H ASP A 6 17.376 0.326 3.823 1.00 0.00 H new ATOM 0 HA ASP A 6 19.262 -0.271 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.204 -2.275 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.739 -0.757 3.579 1.00 0.00 H new ATOM 109 N LEU A 7 17.216 -2.460 3.110 1.00 0.00 N ATOM 110 CA LEU A 7 16.229 -3.496 2.803 1.00 0.00 C ATOM 111 C LEU A 7 15.994 -4.377 4.021 1.00 0.00 C ATOM 112 O LEU A 7 16.683 -4.253 5.033 1.00 0.00 O ATOM 113 CB LEU A 7 16.679 -4.390 1.634 1.00 0.00 C ATOM 114 CG LEU A 7 16.120 -4.019 0.256 1.00 0.00 C ATOM 115 CD1 LEU A 7 16.638 -4.978 -0.803 1.00 0.00 C ATOM 116 CD2 LEU A 7 14.600 -4.022 0.275 1.00 0.00 C ATOM 0 H LEU A 7 17.520 -2.459 4.084 1.00 0.00 H new ATOM 0 HA LEU A 7 15.309 -2.984 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.767 -4.367 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.393 -5.418 1.856 1.00 0.00 H new ATOM 0 HG LEU A 7 16.458 -3.013 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.231 -4.700 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.726 -4.929 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.328 -5.994 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.223 -3.756 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.241 -5.015 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.244 -3.297 1.007 1.00 0.00 H new ATOM 128 N LEU A 8 15.032 -5.278 3.906 1.00 0.00 N ATOM 129 CA LEU A 8 14.733 -6.227 4.968 1.00 0.00 C ATOM 130 C LEU A 8 15.360 -7.573 4.658 1.00 0.00 C ATOM 131 O LEU A 8 15.225 -8.084 3.547 1.00 0.00 O ATOM 132 CB LEU A 8 13.223 -6.390 5.134 1.00 0.00 C ATOM 133 CG LEU A 8 12.517 -5.220 5.809 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.012 -5.356 5.671 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.922 -5.137 7.272 1.00 0.00 C ATOM 0 H LEU A 8 14.440 -5.373 3.081 1.00 0.00 H new ATOM 0 HA LEU A 8 15.150 -5.842 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.779 -6.543 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.032 -7.293 5.714 1.00 0.00 H new ATOM 0 HG LEU A 8 12.819 -4.296 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.524 -4.512 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.743 -5.370 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.686 -6.284 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.411 -4.297 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.645 -6.061 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.000 -4.993 7.343 1.00 0.00 H new ATOM 147 N LYS A 9 16.047 -8.138 5.636 1.00 0.00 N ATOM 148 CA LYS A 9 16.694 -9.427 5.461 1.00 0.00 C ATOM 149 C LYS A 9 15.810 -10.516 6.050 1.00 0.00 C ATOM 150 O LYS A 9 15.812 -11.659 5.593 1.00 0.00 O ATOM 151 CB LYS A 9 18.065 -9.456 6.149 1.00 0.00 C ATOM 152 CG LYS A 9 18.801 -8.122 6.169 1.00 0.00 C ATOM 153 CD LYS A 9 19.014 -7.540 4.783 1.00 0.00 C ATOM 154 CE LYS A 9 19.777 -6.224 4.855 1.00 0.00 C ATOM 155 NZ LYS A 9 19.160 -5.268 5.816 1.00 0.00 N ATOM 0 H LYS A 9 16.171 -7.724 6.560 1.00 0.00 H new ATOM 0 HA LYS A 9 16.842 -9.597 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.933 -9.797 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.692 -10.193 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.237 -7.411 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.768 -8.254 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.565 -8.251 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.050 -7.380 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.808 -6.419 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.810 -5.770 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.639 -4.348 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.151 -5.152 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.258 -5.636 6.784 1.00 0.00 H new ATOM 169 N ASP A 10 15.055 -10.143 7.078 1.00 0.00 N ATOM 170 CA ASP A 10 14.145 -11.072 7.735 1.00 0.00 C ATOM 171 C ASP A 10 12.859 -11.200 6.931 1.00 0.00 C ATOM 172 O ASP A 10 12.298 -12.287 6.803 1.00 0.00 O ATOM 173 CB ASP A 10 13.845 -10.621 9.172 1.00 0.00 C ATOM 174 CG ASP A 10 12.959 -9.389 9.260 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.425 -8.285 8.905 1.00 0.00 O ATOM 176 OD2 ASP A 10 11.795 -9.520 9.701 1.00 0.00 O ATOM 0 H ASP A 10 15.056 -9.203 7.474 1.00 0.00 H new ATOM 0 HA ASP A 10 14.625 -12.050 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.365 -11.441 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.786 -10.416 9.682 1.00 0.00 H new ATOM 181 N LYS A 11 12.407 -10.090 6.372 1.00 0.00 N ATOM 182 CA LYS A 11 11.229 -10.096 5.525 1.00 0.00 C ATOM 183 C LYS A 11 11.646 -10.044 4.066 1.00 0.00 C ATOM 184 O LYS A 11 11.473 -9.031 3.377 1.00 0.00 O ATOM 185 CB LYS A 11 10.303 -8.933 5.877 1.00 0.00 C ATOM 186 CG LYS A 11 9.853 -8.963 7.327 1.00 0.00 C ATOM 187 CD LYS A 11 8.993 -7.767 7.688 1.00 0.00 C ATOM 188 CE LYS A 11 8.703 -7.738 9.181 1.00 0.00 C ATOM 189 NZ LYS A 11 9.948 -7.606 9.984 1.00 0.00 N ATOM 0 H LYS A 11 12.839 -9.174 6.490 1.00 0.00 H new ATOM 0 HA LYS A 11 10.674 -11.019 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.816 -7.992 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.428 -8.961 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.293 -9.880 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.728 -8.988 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.500 -6.848 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.056 -7.807 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.036 -6.906 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.181 -8.651 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.715 -7.239 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.402 -8.537 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.600 -6.949 9.509 1.00 0.00 H new ATOM 203 N LEU A 12 12.262 -11.132 3.627 1.00 0.00 N ATOM 204 CA LEU A 12 12.673 -11.279 2.242 1.00 0.00 C ATOM 205 C LEU A 12 11.487 -11.669 1.378 1.00 0.00 C ATOM 206 O LEU A 12 11.374 -11.225 0.242 1.00 0.00 O ATOM 207 CB LEU A 12 13.805 -12.317 2.081 1.00 0.00 C ATOM 208 CG LEU A 12 13.503 -13.759 2.526 1.00 0.00 C ATOM 209 CD1 LEU A 12 14.457 -14.728 1.847 1.00 0.00 C ATOM 210 CD2 LEU A 12 13.580 -13.919 4.038 1.00 0.00 C ATOM 0 H LEU A 12 12.489 -11.932 4.218 1.00 0.00 H new ATOM 0 HA LEU A 12 13.059 -10.314 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.095 -12.341 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.670 -11.964 2.642 1.00 0.00 H new ATOM 0 HG LEU A 12 12.480 -13.986 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.234 -15.745 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.340 -14.656 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.483 -14.479 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.360 -14.952 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.582 -13.661 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.853 -13.259 4.511 1.00 0.00 H new ATOM 222 N LYS A 13 10.600 -12.489 1.934 1.00 0.00 N ATOM 223 CA LYS A 13 9.427 -12.965 1.211 1.00 0.00 C ATOM 224 C LYS A 13 8.551 -13.828 2.108 1.00 0.00 C ATOM 225 O LYS A 13 8.856 -14.990 2.378 1.00 0.00 O ATOM 226 CB LYS A 13 9.839 -13.734 -0.053 1.00 0.00 C ATOM 227 CG LYS A 13 10.864 -14.831 0.188 1.00 0.00 C ATOM 228 CD LYS A 13 11.652 -15.129 -1.071 1.00 0.00 C ATOM 229 CE LYS A 13 12.495 -13.933 -1.482 1.00 0.00 C ATOM 230 NZ LYS A 13 13.102 -14.118 -2.823 1.00 0.00 N ATOM 0 H LYS A 13 10.673 -12.839 2.889 1.00 0.00 H new ATOM 0 HA LYS A 13 8.844 -12.097 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.949 -14.176 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.244 -13.028 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.545 -14.528 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.360 -15.736 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.296 -15.993 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.969 -15.391 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.876 -13.036 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.283 -13.774 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.094 -13.213 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.083 -14.448 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.555 -14.823 -3.357 1.00 0.00 H new ATOM 244 N LEU A 14 7.485 -13.235 2.601 1.00 0.00 N ATOM 245 CA LEU A 14 6.520 -13.925 3.412 1.00 0.00 C ATOM 246 C LEU A 14 5.309 -14.295 2.560 1.00 0.00 C ATOM 247 O LEU A 14 5.186 -13.830 1.423 1.00 0.00 O ATOM 248 CB LEU A 14 6.107 -13.012 4.565 1.00 0.00 C ATOM 249 CG LEU A 14 7.235 -12.621 5.528 1.00 0.00 C ATOM 250 CD1 LEU A 14 6.733 -11.624 6.560 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.811 -13.854 6.208 1.00 0.00 C ATOM 0 H LEU A 14 7.267 -12.251 2.445 1.00 0.00 H new ATOM 0 HA LEU A 14 6.950 -14.842 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.675 -12.102 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.320 -13.507 5.135 1.00 0.00 H new ATOM 0 HG LEU A 14 8.030 -12.147 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.547 -11.358 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.373 -10.728 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.919 -12.070 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.610 -13.555 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.026 -14.359 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.210 -14.532 5.454 1.00 0.00 H new ATOM 263 N PRO A 15 4.419 -15.162 3.070 1.00 0.00 N ATOM 264 CA PRO A 15 3.155 -15.487 2.397 1.00 0.00 C ATOM 265 C PRO A 15 2.230 -14.278 2.304 1.00 0.00 C ATOM 266 O PRO A 15 2.634 -13.149 2.590 1.00 0.00 O ATOM 267 CB PRO A 15 2.534 -16.563 3.288 1.00 0.00 C ATOM 268 CG PRO A 15 3.190 -16.403 4.605 1.00 0.00 C ATOM 269 CD PRO A 15 4.578 -15.912 4.325 1.00 0.00 C ATOM 0 HA PRO A 15 3.314 -15.812 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.455 -16.434 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.706 -17.559 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.645 -15.694 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.214 -17.349 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.951 -15.278 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.283 -16.736 4.216 1.00 0.00 H new ATOM 277 N VAL A 16 0.994 -14.505 1.890 1.00 0.00 N ATOM 278 CA VAL A 16 0.012 -13.432 1.868 1.00 0.00 C ATOM 279 C VAL A 16 -0.247 -12.933 3.284 1.00 0.00 C ATOM 280 O VAL A 16 -0.887 -13.597 4.105 1.00 0.00 O ATOM 281 CB VAL A 16 -1.304 -13.843 1.179 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.823 -15.163 1.724 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.354 -12.743 1.314 1.00 0.00 C ATOM 0 H VAL A 16 0.649 -15.410 1.569 1.00 0.00 H new ATOM 0 HA VAL A 16 0.430 -12.621 1.272 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.096 -13.984 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.752 -15.425 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.083 -15.944 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.007 -15.068 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.274 -13.056 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.554 -12.558 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.985 -11.829 0.849 1.00 0.00 H new ATOM 293 N ILE A 17 0.293 -11.770 3.564 1.00 0.00 N ATOM 294 CA ILE A 17 0.243 -11.199 4.885 1.00 0.00 C ATOM 295 C ILE A 17 -0.745 -10.047 4.965 1.00 0.00 C ATOM 296 O ILE A 17 -1.425 -9.715 3.992 1.00 0.00 O ATOM 297 CB ILE A 17 1.636 -10.726 5.349 1.00 0.00 C ATOM 298 CG1 ILE A 17 2.355 -9.947 4.242 1.00 0.00 C ATOM 299 CG2 ILE A 17 2.472 -11.904 5.813 1.00 0.00 C ATOM 300 CD1 ILE A 17 3.803 -9.619 4.550 1.00 0.00 C ATOM 0 H ILE A 17 0.780 -11.193 2.878 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.098 -11.990 5.553 1.00 0.00 H new ATOM 0 HB ILE A 17 1.498 -10.050 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.314 -10.527 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.815 -9.018 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.451 -11.550 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.972 -12.400 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.594 -12.609 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.237 -9.068 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.854 -9.010 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.361 -10.543 4.703 1.00 0.00 H new ATOM 312 N ASP A 18 -0.786 -9.448 6.139 1.00 0.00 N ATOM 313 CA ASP A 18 -1.731 -8.400 6.494 1.00 0.00 C ATOM 314 C ASP A 18 -1.467 -8.074 7.944 1.00 0.00 C ATOM 315 O ASP A 18 -1.459 -6.915 8.349 1.00 0.00 O ATOM 316 CB ASP A 18 -3.179 -8.882 6.328 1.00 0.00 C ATOM 317 CG ASP A 18 -4.208 -7.853 6.768 1.00 0.00 C ATOM 318 OD1 ASP A 18 -4.461 -7.744 7.984 1.00 0.00 O ATOM 319 OD2 ASP A 18 -4.791 -7.175 5.897 1.00 0.00 O ATOM 0 H ASP A 18 -0.145 -9.682 6.897 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.605 -7.531 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.353 -9.136 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.319 -9.796 6.905 1.00 0.00 H new ATOM 324 N ASN A 19 -1.210 -9.168 8.671 1.00 0.00 N ATOM 325 CA ASN A 19 -0.834 -9.203 10.090 1.00 0.00 C ATOM 326 C ASN A 19 0.144 -8.100 10.481 1.00 0.00 C ATOM 327 O ASN A 19 1.339 -8.350 10.625 1.00 0.00 O ATOM 328 CB ASN A 19 -0.187 -10.567 10.361 1.00 0.00 C ATOM 329 CG ASN A 19 0.093 -10.828 11.828 1.00 0.00 C ATOM 330 OD1 ASN A 19 -0.604 -10.328 12.712 1.00 0.00 O ATOM 331 ND2 ASN A 19 1.110 -11.631 12.093 1.00 0.00 N ATOM 0 H ASN A 19 -1.261 -10.102 8.264 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.734 -9.044 10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.841 -11.351 9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.748 -10.633 9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.343 -11.857 13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.662 -12.024 11.330 1.00 0.00 H new ATOM 338 N LEU A 20 -0.371 -6.888 10.654 1.00 0.00 N ATOM 339 CA LEU A 20 0.450 -5.722 10.927 1.00 0.00 C ATOM 340 C LEU A 20 1.655 -5.672 9.997 1.00 0.00 C ATOM 341 O LEU A 20 2.769 -5.340 10.399 1.00 0.00 O ATOM 342 CB LEU A 20 0.883 -5.715 12.379 1.00 0.00 C ATOM 343 CG LEU A 20 -0.259 -5.544 13.378 1.00 0.00 C ATOM 344 CD1 LEU A 20 0.279 -5.528 14.799 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.039 -4.270 13.083 1.00 0.00 C ATOM 0 H LEU A 20 -1.370 -6.690 10.608 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.147 -4.829 10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.402 -6.649 12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.602 -4.910 12.527 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.938 -6.391 13.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.547 -5.405 15.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.792 -6.467 15.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.978 -4.700 14.914 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.849 -4.164 13.805 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.373 -3.410 13.156 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.454 -4.322 12.077 1.00 0.00 H new ATOM 357 N PHE A 21 1.407 -6.020 8.749 1.00 0.00 N ATOM 358 CA PHE A 21 2.418 -5.984 7.720 1.00 0.00 C ATOM 359 C PHE A 21 2.031 -4.985 6.641 1.00 0.00 C ATOM 360 O PHE A 21 2.524 -3.860 6.621 1.00 0.00 O ATOM 361 CB PHE A 21 2.603 -7.375 7.119 1.00 0.00 C ATOM 362 CG PHE A 21 3.385 -8.318 7.991 1.00 0.00 C ATOM 363 CD1 PHE A 21 2.850 -9.537 8.370 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.654 -7.983 8.433 1.00 0.00 C ATOM 365 CE1 PHE A 21 3.565 -10.405 9.173 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.374 -8.846 9.236 1.00 0.00 C ATOM 367 CZ PHE A 21 4.829 -10.058 9.607 1.00 0.00 C ATOM 0 H PHE A 21 0.494 -6.336 8.423 1.00 0.00 H new ATOM 0 HA PHE A 21 3.363 -5.668 8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.622 -7.808 6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.109 -7.280 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.861 -9.813 8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.086 -7.036 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.136 -11.353 9.461 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.363 -8.572 9.573 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.390 -10.734 10.236 1.00 0.00 H new ATOM 377 N GLY A 22 1.115 -5.389 5.768 1.00 0.00 N ATOM 378 CA GLY A 22 0.657 -4.502 4.719 1.00 0.00 C ATOM 379 C GLY A 22 -0.128 -3.341 5.280 1.00 0.00 C ATOM 380 O GLY A 22 0.000 -2.206 4.819 1.00 0.00 O ATOM 0 H GLY A 22 0.683 -6.313 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.513 -4.127 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.035 -5.058 4.017 1.00 0.00 H new ATOM 384 N LYS A 23 -0.943 -3.632 6.288 1.00 0.00 N ATOM 385 CA LYS A 23 -1.728 -2.620 6.955 1.00 0.00 C ATOM 386 C LYS A 23 -0.822 -1.653 7.699 1.00 0.00 C ATOM 387 O LYS A 23 -1.121 -0.473 7.792 1.00 0.00 O ATOM 388 CB LYS A 23 -2.716 -3.284 7.911 1.00 0.00 C ATOM 389 CG LYS A 23 -3.759 -4.135 7.201 1.00 0.00 C ATOM 390 CD LYS A 23 -4.735 -3.281 6.397 1.00 0.00 C ATOM 391 CE LYS A 23 -5.786 -2.650 7.299 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.748 -1.809 6.541 1.00 0.00 N ATOM 0 H LYS A 23 -1.072 -4.574 6.658 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.288 -2.052 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.166 -3.908 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.221 -2.514 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.261 -4.841 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.310 -4.723 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.189 -2.500 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.223 -3.896 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.329 -3.435 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.293 -2.041 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.502 -1.483 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.252 -0.986 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.165 -2.368 5.769 1.00 0.00 H new ATOM 406 N GLU A 24 0.292 -2.165 8.210 1.00 0.00 N ATOM 407 CA GLU A 24 1.288 -1.348 8.868 1.00 0.00 C ATOM 408 C GLU A 24 1.934 -0.396 7.881 1.00 0.00 C ATOM 409 O GLU A 24 2.084 0.792 8.161 1.00 0.00 O ATOM 410 CB GLU A 24 2.327 -2.256 9.481 1.00 0.00 C ATOM 411 CG GLU A 24 2.141 -2.449 10.964 1.00 0.00 C ATOM 412 CD GLU A 24 2.681 -1.296 11.778 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.824 -1.403 12.274 1.00 0.00 O ATOM 414 OE2 GLU A 24 1.977 -0.282 11.919 1.00 0.00 O ATOM 0 H GLU A 24 0.524 -3.158 8.177 1.00 0.00 H new ATOM 0 HA GLU A 24 0.815 -0.750 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.290 -3.227 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.318 -1.842 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.080 -2.574 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.639 -3.369 11.271 1.00 0.00 H new ATOM 421 N LEU A 25 2.324 -0.932 6.732 1.00 0.00 N ATOM 422 CA LEU A 25 2.828 -0.119 5.638 1.00 0.00 C ATOM 423 C LEU A 25 1.859 1.014 5.349 1.00 0.00 C ATOM 424 O LEU A 25 2.164 2.184 5.572 1.00 0.00 O ATOM 425 CB LEU A 25 2.987 -0.958 4.374 1.00 0.00 C ATOM 426 CG LEU A 25 3.945 -2.138 4.470 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.888 -2.942 3.186 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.363 -1.662 4.742 1.00 0.00 C ATOM 0 H LEU A 25 2.300 -1.932 6.535 1.00 0.00 H new ATOM 0 HA LEU A 25 3.798 0.281 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.006 -1.335 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.326 -0.305 3.569 1.00 0.00 H new ATOM 0 HG LEU A 25 3.642 -2.773 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.574 -3.787 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.874 -3.310 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.176 -2.308 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.029 -2.522 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.690 -1.010 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.388 -1.112 5.683 1.00 0.00 H new ATOM 440 N LEU A 26 0.679 0.642 4.865 1.00 0.00 N ATOM 441 CA LEU A 26 -0.376 1.581 4.566 1.00 0.00 C ATOM 442 C LEU A 26 -0.666 2.526 5.735 1.00 0.00 C ATOM 443 O LEU A 26 -1.027 3.675 5.520 1.00 0.00 O ATOM 444 CB LEU A 26 -1.639 0.811 4.180 1.00 0.00 C ATOM 445 CG LEU A 26 -1.669 0.280 2.745 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.840 -0.667 2.544 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.712 1.416 1.766 1.00 0.00 C ATOM 0 H LEU A 26 0.434 -0.329 4.671 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.046 2.203 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.755 -0.030 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.501 1.462 4.327 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.754 -0.284 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.841 -1.032 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.748 -1.510 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.773 -0.139 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.733 1.021 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.607 2.014 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.828 2.040 1.894 1.00 0.00 H new ATOM 459 N ASP A 27 -0.517 2.050 6.965 1.00 0.00 N ATOM 460 CA ASP A 27 -0.796 2.883 8.134 1.00 0.00 C ATOM 461 C ASP A 27 0.268 3.962 8.305 1.00 0.00 C ATOM 462 O ASP A 27 -0.053 5.139 8.481 1.00 0.00 O ATOM 463 CB ASP A 27 -0.879 2.039 9.407 1.00 0.00 C ATOM 464 CG ASP A 27 -1.381 2.840 10.590 1.00 0.00 C ATOM 465 OD1 ASP A 27 -0.558 3.245 11.438 1.00 0.00 O ATOM 466 OD2 ASP A 27 -2.604 3.071 10.677 1.00 0.00 O ATOM 0 H ASP A 27 -0.208 1.102 7.181 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.761 3.362 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.542 1.191 9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.106 1.632 9.637 1.00 0.00 H new ATOM 471 N LYS A 28 1.532 3.563 8.238 1.00 0.00 N ATOM 472 CA LYS A 28 2.636 4.506 8.394 1.00 0.00 C ATOM 473 C LYS A 28 2.684 5.468 7.219 1.00 0.00 C ATOM 474 O LYS A 28 2.964 6.654 7.378 1.00 0.00 O ATOM 475 CB LYS A 28 3.982 3.783 8.481 1.00 0.00 C ATOM 476 CG LYS A 28 4.048 2.695 9.531 1.00 0.00 C ATOM 477 CD LYS A 28 5.442 2.098 9.605 1.00 0.00 C ATOM 478 CE LYS A 28 5.455 0.813 10.407 1.00 0.00 C ATOM 479 NZ LYS A 28 6.837 0.334 10.673 1.00 0.00 N ATOM 0 H LYS A 28 1.819 2.597 8.077 1.00 0.00 H new ATOM 0 HA LYS A 28 2.461 5.052 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.207 3.345 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.761 4.517 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.771 3.104 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.325 1.913 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.809 1.903 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.123 2.818 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.938 0.972 11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.903 0.044 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.799 -0.547 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.323 0.157 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.357 1.056 11.211 1.00 0.00 H new ATOM 493 N PHE A 29 2.404 4.947 6.035 1.00 0.00 N ATOM 494 CA PHE A 29 2.541 5.726 4.817 1.00 0.00 C ATOM 495 C PHE A 29 1.190 6.277 4.383 1.00 0.00 C ATOM 496 O PHE A 29 1.044 6.775 3.268 1.00 0.00 O ATOM 497 CB PHE A 29 3.148 4.876 3.690 1.00 0.00 C ATOM 498 CG PHE A 29 4.237 3.937 4.143 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.105 4.284 5.168 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.375 2.693 3.553 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.081 3.408 5.596 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.354 1.815 3.973 1.00 0.00 C ATOM 503 CZ PHE A 29 6.205 2.171 4.999 1.00 0.00 C ATOM 0 H PHE A 29 2.081 3.990 5.893 1.00 0.00 H new ATOM 0 HA PHE A 29 3.213 6.559 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.354 4.295 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.551 5.540 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.015 5.253 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.708 2.405 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.747 3.691 6.398 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.454 0.850 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.967 1.482 5.334 1.00 0.00 H new ATOM 513 N GLN A 30 0.204 6.196 5.274 1.00 0.00 N ATOM 514 CA GLN A 30 -1.107 6.731 5.009 1.00 0.00 C ATOM 515 C GLN A 30 -1.016 8.226 4.774 1.00 0.00 C ATOM 516 O GLN A 30 -1.679 8.764 3.894 1.00 0.00 O ATOM 517 CB GLN A 30 -2.041 6.428 6.178 1.00 0.00 C ATOM 518 CG GLN A 30 -3.300 7.228 6.132 1.00 0.00 C ATOM 519 CD GLN A 30 -4.417 6.668 6.988 1.00 0.00 C ATOM 520 OE1 GLN A 30 -5.647 6.960 6.604 1.00 0.00 O flip ATOM 521 NE2 GLN A 30 -4.180 5.999 7.993 1.00 0.00 N flip ATOM 0 H GLN A 30 0.301 5.759 6.190 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.511 6.261 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.289 5.367 6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.521 6.630 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.084 8.246 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.643 7.288 5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.215 5.796 8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.948 5.647 8.564 1.00 0.00 H new ATOM 530 N ASP A 31 -0.170 8.882 5.556 1.00 0.00 N ATOM 531 CA ASP A 31 0.072 10.306 5.393 1.00 0.00 C ATOM 532 C ASP A 31 0.609 10.595 4.000 1.00 0.00 C ATOM 533 O ASP A 31 0.301 11.624 3.413 1.00 0.00 O ATOM 534 CB ASP A 31 1.053 10.810 6.452 1.00 0.00 C ATOM 535 CG ASP A 31 1.355 12.288 6.304 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.475 13.113 6.629 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.481 12.629 5.877 1.00 0.00 O ATOM 0 H ASP A 31 0.361 8.448 6.311 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.874 10.832 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.640 10.624 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.982 10.244 6.382 1.00 0.00 H new ATOM 542 N ASP A 32 1.379 9.659 3.457 1.00 0.00 N ATOM 543 CA ASP A 32 1.932 9.806 2.118 1.00 0.00 C ATOM 544 C ASP A 32 0.868 9.540 1.071 1.00 0.00 C ATOM 545 O ASP A 32 0.709 10.303 0.132 1.00 0.00 O ATOM 546 CB ASP A 32 3.115 8.861 1.902 1.00 0.00 C ATOM 547 CG ASP A 32 4.429 9.475 2.319 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.765 9.424 3.521 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.137 10.010 1.444 1.00 0.00 O ATOM 0 H ASP A 32 1.634 8.789 3.925 1.00 0.00 H new ATOM 0 HA ASP A 32 2.285 10.832 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.951 7.944 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.166 8.582 0.849 1.00 0.00 H new ATOM 554 N ILE A 33 0.129 8.460 1.247 1.00 0.00 N ATOM 555 CA ILE A 33 -0.941 8.104 0.325 1.00 0.00 C ATOM 556 C ILE A 33 -2.056 9.154 0.375 1.00 0.00 C ATOM 557 O ILE A 33 -2.835 9.312 -0.563 1.00 0.00 O ATOM 558 CB ILE A 33 -1.483 6.695 0.659 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.341 5.681 0.553 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.621 6.307 -0.274 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.571 4.402 1.334 1.00 0.00 C ATOM 0 H ILE A 33 0.249 7.809 2.023 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.545 8.083 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.877 6.702 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.189 5.430 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.579 6.148 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.981 5.311 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.435 7.025 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.263 6.306 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.284 3.738 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.692 4.638 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.471 3.909 0.967 1.00 0.00 H new ATOM 573 N LYS A 34 -2.090 9.898 1.465 1.00 0.00 N ATOM 574 CA LYS A 34 -3.025 10.994 1.633 1.00 0.00 C ATOM 575 C LYS A 34 -2.428 12.269 1.055 1.00 0.00 C ATOM 576 O LYS A 34 -3.116 13.061 0.409 1.00 0.00 O ATOM 577 CB LYS A 34 -3.347 11.151 3.108 1.00 0.00 C ATOM 578 CG LYS A 34 -4.257 12.319 3.429 1.00 0.00 C ATOM 579 CD LYS A 34 -4.806 12.200 4.833 1.00 0.00 C ATOM 580 CE LYS A 34 -5.467 13.488 5.295 1.00 0.00 C ATOM 581 NZ LYS A 34 -4.498 14.615 5.354 1.00 0.00 N ATOM 0 H LYS A 34 -1.468 9.758 2.261 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.952 10.786 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.814 10.233 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.415 11.270 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.706 13.254 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.079 12.353 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.530 11.386 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.998 11.941 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.281 13.743 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.909 13.337 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.856 15.347 6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.581 14.267 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.378 15.020 4.404 1.00 0.00 H new ATOM 595 N ASP A 35 -1.142 12.445 1.289 1.00 0.00 N ATOM 596 CA ASP A 35 -0.369 13.504 0.655 1.00 0.00 C ATOM 597 C ASP A 35 -0.472 13.418 -0.865 1.00 0.00 C ATOM 598 O ASP A 35 -0.738 14.409 -1.544 1.00 0.00 O ATOM 599 CB ASP A 35 1.095 13.393 1.081 1.00 0.00 C ATOM 600 CG ASP A 35 2.040 14.190 0.206 1.00 0.00 C ATOM 601 OD1 ASP A 35 2.701 13.580 -0.666 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.130 15.424 0.383 1.00 0.00 O ATOM 0 H ASP A 35 -0.600 11.859 1.924 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.773 14.466 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.192 13.734 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.392 12.344 1.062 1.00 0.00 H new ATOM 607 N LYS A 36 -0.276 12.218 -1.385 1.00 0.00 N ATOM 608 CA LYS A 36 -0.246 11.999 -2.819 1.00 0.00 C ATOM 609 C LYS A 36 -1.649 11.863 -3.414 1.00 0.00 C ATOM 610 O LYS A 36 -1.866 12.204 -4.577 1.00 0.00 O ATOM 611 CB LYS A 36 0.615 10.769 -3.145 1.00 0.00 C ATOM 612 CG LYS A 36 2.106 10.991 -2.916 1.00 0.00 C ATOM 613 CD LYS A 36 2.703 9.950 -2.003 1.00 0.00 C ATOM 614 CE LYS A 36 4.161 10.253 -1.690 1.00 0.00 C ATOM 615 NZ LYS A 36 4.318 11.402 -0.753 1.00 0.00 N ATOM 0 H LYS A 36 -0.134 11.375 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 36 0.203 12.879 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.283 9.930 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.453 10.488 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.626 10.973 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.263 11.981 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.132 9.907 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.626 8.968 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.627 9.368 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.691 10.470 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.144 11.968 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.464 11.995 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.455 11.045 0.214 1.00 0.00 H new ATOM 629 N TYR A 37 -2.602 11.380 -2.627 1.00 0.00 N ATOM 630 CA TYR A 37 -3.963 11.173 -3.127 1.00 0.00 C ATOM 631 C TYR A 37 -5.001 11.713 -2.158 1.00 0.00 C ATOM 632 O TYR A 37 -5.873 12.494 -2.534 1.00 0.00 O ATOM 633 CB TYR A 37 -4.231 9.684 -3.361 1.00 0.00 C ATOM 634 CG TYR A 37 -3.221 9.020 -4.256 1.00 0.00 C ATOM 635 CD1 TYR A 37 -3.350 9.073 -5.634 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.128 8.353 -3.719 1.00 0.00 C ATOM 637 CE1 TYR A 37 -2.417 8.481 -6.456 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.192 7.755 -4.532 1.00 0.00 C ATOM 639 CZ TYR A 37 -1.342 7.823 -5.904 1.00 0.00 C ATOM 640 OH TYR A 37 -0.407 7.247 -6.728 1.00 0.00 O ATOM 0 H TYR A 37 -2.464 11.125 -1.649 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.044 11.715 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.244 9.171 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.223 9.567 -3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.194 9.586 -6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.010 8.303 -2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.529 8.533 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.348 7.237 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.354 7.753 -7.566 1.00 0.00 H new ATOM 650 N GLY A 38 -4.894 11.291 -0.913 1.00 0.00 N ATOM 651 CA GLY A 38 -5.898 11.626 0.083 1.00 0.00 C ATOM 652 C GLY A 38 -6.753 10.424 0.415 1.00 0.00 C ATOM 653 O GLY A 38 -7.960 10.422 0.182 1.00 0.00 O ATOM 0 H GLY A 38 -4.125 10.717 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.411 11.991 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.528 12.434 -0.288 1.00 0.00 H new ATOM 657 N VAL A 39 -6.117 9.393 0.955 1.00 0.00 N ATOM 658 CA VAL A 39 -6.761 8.111 1.164 1.00 0.00 C ATOM 659 C VAL A 39 -6.671 7.675 2.623 1.00 0.00 C ATOM 660 O VAL A 39 -5.736 8.044 3.338 1.00 0.00 O ATOM 661 CB VAL A 39 -6.079 7.040 0.292 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.766 5.692 0.417 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.027 7.475 -1.165 1.00 0.00 C ATOM 0 H VAL A 39 -5.144 9.425 1.258 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.811 8.219 0.891 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.058 6.929 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.255 4.964 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.732 5.361 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.805 5.782 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.541 6.701 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.040 7.632 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.463 8.404 -1.247 1.00 0.00 H new ATOM 673 N ASP A 40 -7.646 6.893 3.053 1.00 0.00 N ATOM 674 CA ASP A 40 -7.598 6.251 4.358 1.00 0.00 C ATOM 675 C ASP A 40 -7.236 4.784 4.190 1.00 0.00 C ATOM 676 O ASP A 40 -7.932 4.038 3.502 1.00 0.00 O ATOM 677 CB ASP A 40 -8.928 6.370 5.098 1.00 0.00 C ATOM 678 CG ASP A 40 -8.886 5.652 6.433 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.441 4.540 6.533 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.273 6.195 7.380 1.00 0.00 O ATOM 0 H ASP A 40 -8.487 6.685 2.514 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.839 6.759 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.165 7.422 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.726 5.953 4.484 1.00 0.00 H new ATOM 685 N THR A 41 -6.147 4.370 4.812 1.00 0.00 N ATOM 686 CA THR A 41 -5.645 3.023 4.628 1.00 0.00 C ATOM 687 C THR A 41 -6.260 2.045 5.616 1.00 0.00 C ATOM 688 O THR A 41 -6.103 0.826 5.485 1.00 0.00 O ATOM 689 CB THR A 41 -4.124 2.984 4.759 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.727 3.567 6.007 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.467 3.729 3.607 1.00 0.00 C ATOM 0 H THR A 41 -5.595 4.947 5.447 1.00 0.00 H new ATOM 0 HA THR A 41 -5.931 2.719 3.621 1.00 0.00 H new ATOM 0 HB THR A 41 -3.800 1.944 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.387 2.866 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.383 3.689 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.752 3.264 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.795 4.769 3.612 1.00 0.00 H new ATOM 699 N LYS A 42 -6.960 2.576 6.604 1.00 0.00 N ATOM 700 CA LYS A 42 -7.627 1.749 7.583 1.00 0.00 C ATOM 701 C LYS A 42 -8.783 1.015 6.928 1.00 0.00 C ATOM 702 O LYS A 42 -8.974 -0.182 7.138 1.00 0.00 O ATOM 703 CB LYS A 42 -8.128 2.604 8.741 1.00 0.00 C ATOM 704 CG LYS A 42 -7.026 3.366 9.453 1.00 0.00 C ATOM 705 CD LYS A 42 -7.525 4.017 10.730 1.00 0.00 C ATOM 706 CE LYS A 42 -8.073 2.987 11.700 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.426 3.589 13.008 1.00 0.00 N ATOM 0 H LYS A 42 -7.079 3.579 6.746 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.920 1.018 7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.865 3.314 8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.639 1.964 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.207 2.686 9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.625 4.131 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.711 4.566 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.302 4.743 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.956 2.515 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.333 2.201 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.796 2.852 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.579 4.017 13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.151 4.322 12.869 1.00 0.00 H new ATOM 721 N ASP A 43 -9.529 1.735 6.104 1.00 0.00 N ATOM 722 CA ASP A 43 -10.666 1.159 5.403 1.00 0.00 C ATOM 723 C ASP A 43 -10.214 0.244 4.266 1.00 0.00 C ATOM 724 O ASP A 43 -10.943 -0.667 3.870 1.00 0.00 O ATOM 725 CB ASP A 43 -11.574 2.261 4.862 1.00 0.00 C ATOM 726 CG ASP A 43 -12.851 1.708 4.272 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.116 1.951 3.075 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.601 1.026 5.004 1.00 0.00 O ATOM 0 H ASP A 43 -9.367 2.722 5.904 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.226 0.557 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.818 2.956 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.040 2.829 4.100 1.00 0.00 H new ATOM 733 N LEU A 44 -9.008 0.479 3.748 1.00 0.00 N ATOM 734 CA LEU A 44 -8.457 -0.358 2.688 1.00 0.00 C ATOM 735 C LEU A 44 -8.412 -1.814 3.122 1.00 0.00 C ATOM 736 O LEU A 44 -7.806 -2.157 4.137 1.00 0.00 O ATOM 737 CB LEU A 44 -7.048 0.088 2.308 1.00 0.00 C ATOM 738 CG LEU A 44 -6.924 1.497 1.731 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.481 1.774 1.337 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.848 1.676 0.534 1.00 0.00 C ATOM 0 H LEU A 44 -8.398 1.240 4.046 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.110 -0.254 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.416 0.023 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.649 -0.618 1.580 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.223 2.212 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.403 2.781 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.841 1.689 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.164 1.051 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.742 2.687 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.584 0.956 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.880 1.514 0.844 1.00 0.00 H new ATOM 752 N LYS A 45 -9.049 -2.662 2.345 1.00 0.00 N ATOM 753 CA LYS A 45 -9.110 -4.081 2.648 1.00 0.00 C ATOM 754 C LYS A 45 -7.998 -4.809 1.923 1.00 0.00 C ATOM 755 O LYS A 45 -8.015 -4.900 0.697 1.00 0.00 O ATOM 756 CB LYS A 45 -10.460 -4.653 2.218 1.00 0.00 C ATOM 757 CG LYS A 45 -10.634 -6.129 2.531 1.00 0.00 C ATOM 758 CD LYS A 45 -11.745 -6.741 1.695 1.00 0.00 C ATOM 759 CE LYS A 45 -12.100 -8.139 2.171 1.00 0.00 C ATOM 760 NZ LYS A 45 -12.820 -8.114 3.471 1.00 0.00 N ATOM 0 H LYS A 45 -9.537 -2.393 1.491 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.991 -4.216 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.254 -4.092 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.581 -4.503 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.699 -6.656 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.861 -6.255 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.629 -6.105 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.436 -6.780 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.720 -8.631 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.190 -8.731 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.221 -9.054 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.157 -7.859 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.586 -7.412 3.430 1.00 0.00 H new ATOM 774 N ILE A 46 -7.033 -5.318 2.667 1.00 0.00 N ATOM 775 CA ILE A 46 -5.924 -6.014 2.054 1.00 0.00 C ATOM 776 C ILE A 46 -6.353 -7.372 1.525 1.00 0.00 C ATOM 777 O ILE A 46 -6.785 -8.248 2.276 1.00 0.00 O ATOM 778 CB ILE A 46 -4.720 -6.160 3.000 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.100 -4.784 3.240 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.692 -7.130 2.428 1.00 0.00 C ATOM 781 CD1 ILE A 46 -2.766 -4.831 3.933 1.00 0.00 C ATOM 0 H ILE A 46 -6.997 -5.262 3.685 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.600 -5.398 1.215 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.059 -6.570 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.984 -4.276 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.788 -4.185 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.851 -7.216 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.151 -8.109 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.338 -6.759 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.390 -3.817 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.878 -5.309 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.061 -5.401 3.328 1.00 0.00 H new ATOM 793 N LEU A 47 -6.248 -7.518 0.221 1.00 0.00 N ATOM 794 CA LEU A 47 -6.603 -8.749 -0.457 1.00 0.00 C ATOM 795 C LEU A 47 -5.401 -9.676 -0.456 1.00 0.00 C ATOM 796 O LEU A 47 -5.519 -10.887 -0.257 1.00 0.00 O ATOM 797 CB LEU A 47 -7.014 -8.433 -1.893 1.00 0.00 C ATOM 798 CG LEU A 47 -7.881 -7.182 -2.052 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.092 -6.868 -3.523 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.218 -7.361 -1.352 1.00 0.00 C ATOM 0 H LEU A 47 -5.913 -6.783 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.435 -9.232 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.114 -8.313 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.556 -9.288 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.361 -6.344 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.711 -5.976 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.127 -6.694 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.590 -7.708 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.818 -6.460 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.745 -8.211 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.051 -7.541 -0.290 1.00 0.00 H new ATOM 812 N LYS A 48 -4.237 -9.080 -0.672 1.00 0.00 N ATOM 813 CA LYS A 48 -2.985 -9.800 -0.667 1.00 0.00 C ATOM 814 C LYS A 48 -1.854 -8.849 -0.326 1.00 0.00 C ATOM 815 O LYS A 48 -1.851 -7.698 -0.757 1.00 0.00 O ATOM 816 CB LYS A 48 -2.708 -10.424 -2.035 1.00 0.00 C ATOM 817 CG LYS A 48 -1.708 -11.570 -1.989 1.00 0.00 C ATOM 818 CD LYS A 48 -1.251 -11.959 -3.387 1.00 0.00 C ATOM 819 CE LYS A 48 -0.399 -13.219 -3.377 1.00 0.00 C ATOM 820 NZ LYS A 48 0.961 -12.995 -2.813 1.00 0.00 N ATOM 0 H LYS A 48 -4.141 -8.081 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.051 -10.593 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.645 -10.787 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.334 -9.653 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.845 -11.279 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.161 -12.432 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.122 -12.115 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.681 -11.139 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.906 -13.989 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.307 -13.597 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.460 -13.905 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.495 -12.358 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.879 -12.565 -1.869 1.00 0.00 H new ATOM 834 N THR A 49 -0.914 -9.320 0.461 1.00 0.00 N ATOM 835 CA THR A 49 0.298 -8.580 0.727 1.00 0.00 C ATOM 836 C THR A 49 1.460 -9.547 0.804 1.00 0.00 C ATOM 837 O THR A 49 1.387 -10.550 1.502 1.00 0.00 O ATOM 838 CB THR A 49 0.191 -7.763 2.030 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.807 -6.755 1.882 1.00 0.00 O ATOM 840 CG2 THR A 49 1.509 -7.106 2.393 1.00 0.00 C ATOM 0 H THR A 49 -0.967 -10.223 0.933 1.00 0.00 H new ATOM 0 HA THR A 49 0.458 -7.871 -0.085 1.00 0.00 H new ATOM 0 HB THR A 49 -0.078 -8.452 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.187 -6.801 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.391 -6.540 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.272 -7.872 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.813 -6.433 1.591 1.00 0.00 H new ATOM 848 N SER A 50 2.497 -9.277 0.044 1.00 0.00 N ATOM 849 CA SER A 50 3.680 -10.116 0.035 1.00 0.00 C ATOM 850 C SER A 50 4.862 -9.292 -0.441 1.00 0.00 C ATOM 851 O SER A 50 4.682 -8.323 -1.175 1.00 0.00 O ATOM 852 CB SER A 50 3.478 -11.319 -0.893 1.00 0.00 C ATOM 853 OG SER A 50 2.314 -12.056 -0.545 1.00 0.00 O ATOM 0 H SER A 50 2.547 -8.474 -0.583 1.00 0.00 H new ATOM 0 HA SER A 50 3.866 -10.488 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.397 -10.975 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.351 -11.970 -0.842 1.00 0.00 H new ATOM 0 HG SER A 50 2.323 -12.247 0.416 1.00 0.00 H new ATOM 859 N GLU A 51 6.050 -9.651 -0.015 1.00 0.00 N ATOM 860 CA GLU A 51 7.247 -8.984 -0.479 1.00 0.00 C ATOM 861 C GLU A 51 8.210 -9.991 -1.080 1.00 0.00 C ATOM 862 O GLU A 51 8.062 -11.197 -0.879 1.00 0.00 O ATOM 863 CB GLU A 51 7.932 -8.209 0.659 1.00 0.00 C ATOM 864 CG GLU A 51 8.504 -9.071 1.784 1.00 0.00 C ATOM 865 CD GLU A 51 7.449 -9.729 2.652 1.00 0.00 C ATOM 866 OE1 GLU A 51 7.220 -9.236 3.775 1.00 0.00 O ATOM 867 OE2 GLU A 51 6.859 -10.737 2.217 1.00 0.00 O ATOM 0 H GLU A 51 6.215 -10.403 0.654 1.00 0.00 H new ATOM 0 HA GLU A 51 6.955 -8.267 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.739 -7.611 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.211 -7.513 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.137 -9.845 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.144 -8.452 2.413 1.00 0.00 H new ATOM 874 N ASP A 52 9.163 -9.495 -1.848 1.00 0.00 N ATOM 875 CA ASP A 52 10.255 -10.325 -2.340 1.00 0.00 C ATOM 876 C ASP A 52 11.476 -9.459 -2.607 1.00 0.00 C ATOM 877 O ASP A 52 12.200 -9.077 -1.684 1.00 0.00 O ATOM 878 CB ASP A 52 9.864 -11.095 -3.611 1.00 0.00 C ATOM 879 CG ASP A 52 10.874 -12.176 -3.976 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.518 -13.369 -3.924 1.00 0.00 O ATOM 881 OD2 ASP A 52 12.030 -11.844 -4.311 1.00 0.00 O ATOM 0 H ASP A 52 9.206 -8.521 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 52 10.487 -11.062 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.885 -11.552 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.771 -10.395 -4.441 1.00 0.00 H new ATOM 886 N LYS A 53 11.677 -9.102 -3.863 1.00 0.00 N ATOM 887 CA LYS A 53 12.827 -8.314 -4.237 1.00 0.00 C ATOM 888 C LYS A 53 12.466 -6.840 -4.236 1.00 0.00 C ATOM 889 O LYS A 53 11.984 -6.312 -5.238 1.00 0.00 O ATOM 890 CB LYS A 53 13.346 -8.745 -5.606 1.00 0.00 C ATOM 891 CG LYS A 53 14.859 -8.845 -5.669 1.00 0.00 C ATOM 892 CD LYS A 53 15.388 -9.932 -4.742 1.00 0.00 C ATOM 893 CE LYS A 53 15.450 -11.303 -5.415 1.00 0.00 C ATOM 894 NZ LYS A 53 14.120 -11.799 -5.863 1.00 0.00 N ATOM 0 H LYS A 53 11.058 -9.347 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 53 13.621 -8.477 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.914 -9.712 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.004 -8.033 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.168 -9.057 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.299 -7.886 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.384 -9.656 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.751 -9.993 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.118 -11.248 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.883 -12.022 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.169 -12.825 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.410 -11.597 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.851 -11.322 -6.747 1.00 0.00 H new ATOM 908 N ARG A 54 12.650 -6.209 -3.074 1.00 0.00 N ATOM 909 CA ARG A 54 12.353 -4.789 -2.863 1.00 0.00 C ATOM 910 C ARG A 54 10.850 -4.539 -2.742 1.00 0.00 C ATOM 911 O ARG A 54 10.404 -3.837 -1.844 1.00 0.00 O ATOM 912 CB ARG A 54 12.932 -3.917 -3.988 1.00 0.00 C ATOM 913 CG ARG A 54 14.434 -3.695 -3.912 1.00 0.00 C ATOM 914 CD ARG A 54 14.933 -2.930 -5.129 1.00 0.00 C ATOM 915 NE ARG A 54 16.293 -2.419 -4.952 1.00 0.00 N ATOM 916 CZ ARG A 54 17.196 -2.341 -5.932 1.00 0.00 C ATOM 917 NH1 ARG A 54 16.925 -2.829 -7.136 1.00 0.00 N ATOM 918 NH2 ARG A 54 18.381 -1.788 -5.699 1.00 0.00 N ATOM 0 H ARG A 54 13.014 -6.675 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 54 12.829 -4.509 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.695 -4.380 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.434 -2.948 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.678 -3.142 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.945 -4.656 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.905 -3.583 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.259 -2.098 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 54 16.568 -2.103 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.022 -3.267 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.620 -2.766 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.600 -1.423 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.072 -1.728 -6.447 1.00 0.00 H new ATOM 932 N PHE A 55 10.080 -5.149 -3.623 1.00 0.00 N ATOM 933 CA PHE A 55 8.671 -4.810 -3.779 1.00 0.00 C ATOM 934 C PHE A 55 7.788 -5.436 -2.700 1.00 0.00 C ATOM 935 O PHE A 55 7.919 -6.619 -2.379 1.00 0.00 O ATOM 936 CB PHE A 55 8.160 -5.260 -5.150 1.00 0.00 C ATOM 937 CG PHE A 55 9.013 -4.827 -6.308 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.484 -5.761 -7.215 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.341 -3.496 -6.494 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.264 -5.375 -8.288 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.124 -3.105 -7.565 1.00 0.00 C ATOM 942 CZ PHE A 55 10.585 -4.046 -8.461 1.00 0.00 C ATOM 0 H PHE A 55 10.406 -5.887 -4.247 1.00 0.00 H new ATOM 0 HA PHE A 55 8.607 -3.726 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.086 -6.347 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.152 -4.871 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.239 -6.804 -7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.982 -2.755 -5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.622 -6.114 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.374 -2.063 -7.699 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.197 -3.742 -9.297 1.00 0.00 H new ATOM 952 N TYR A 56 6.913 -4.609 -2.138 1.00 0.00 N ATOM 953 CA TYR A 56 5.786 -5.072 -1.341 1.00 0.00 C ATOM 954 C TYR A 56 4.522 -4.963 -2.175 1.00 0.00 C ATOM 955 O TYR A 56 4.181 -3.881 -2.653 1.00 0.00 O ATOM 956 CB TYR A 56 5.612 -4.232 -0.071 1.00 0.00 C ATOM 957 CG TYR A 56 6.093 -4.901 1.191 1.00 0.00 C ATOM 958 CD1 TYR A 56 5.359 -5.924 1.779 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.270 -4.501 1.803 1.00 0.00 C ATOM 960 CE1 TYR A 56 5.789 -6.531 2.941 1.00 0.00 C ATOM 961 CE2 TYR A 56 7.710 -5.105 2.965 1.00 0.00 C ATOM 962 CZ TYR A 56 6.967 -6.119 3.530 1.00 0.00 C ATOM 963 OH TYR A 56 7.407 -6.730 4.680 1.00 0.00 O ATOM 0 H TYR A 56 6.967 -3.594 -2.224 1.00 0.00 H new ATOM 0 HA TYR A 56 5.975 -6.104 -1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.149 -3.292 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.557 -3.984 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.437 -6.249 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.853 -3.704 1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.207 -7.324 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.631 -4.784 3.428 1.00 0.00 H new ATOM 0 HH TYR A 56 7.534 -7.687 4.514 1.00 0.00 H new ATOM 973 N TYR A 57 3.842 -6.075 -2.364 1.00 0.00 N ATOM 974 CA TYR A 57 2.633 -6.097 -3.167 1.00 0.00 C ATOM 975 C TYR A 57 1.406 -6.051 -2.266 1.00 0.00 C ATOM 976 O TYR A 57 0.877 -7.096 -1.883 1.00 0.00 O ATOM 977 CB TYR A 57 2.593 -7.359 -4.039 1.00 0.00 C ATOM 978 CG TYR A 57 3.928 -7.715 -4.660 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.429 -7.010 -5.746 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.687 -8.760 -4.149 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.652 -7.335 -6.303 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.908 -9.092 -4.700 1.00 0.00 C ATOM 983 CZ TYR A 57 6.387 -8.378 -5.775 1.00 0.00 C ATOM 984 OH TYR A 57 7.607 -8.705 -6.320 1.00 0.00 O ATOM 0 H TYR A 57 4.106 -6.979 -1.972 1.00 0.00 H new ATOM 0 HA TYR A 57 2.632 -5.222 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.249 -8.197 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.860 -7.218 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.855 -6.195 -6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.315 -9.323 -3.306 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.030 -6.776 -7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.485 -9.908 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 57 7.992 -9.461 -5.830 1.00 0.00 H new ATOM 994 N VAL A 58 0.977 -4.851 -1.895 1.00 0.00 N ATOM 995 CA VAL A 58 -0.202 -4.706 -1.051 1.00 0.00 C ATOM 996 C VAL A 58 -1.436 -4.434 -1.904 1.00 0.00 C ATOM 997 O VAL A 58 -1.811 -3.286 -2.131 1.00 0.00 O ATOM 998 CB VAL A 58 -0.046 -3.584 0.006 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.197 -3.624 0.995 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.285 -3.702 0.731 1.00 0.00 C ATOM 0 H VAL A 58 1.422 -3.973 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.320 -5.648 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.065 -2.625 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.072 -2.830 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.138 -3.482 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.208 -4.589 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.370 -2.903 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.341 -4.667 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.100 -3.621 0.011 1.00 0.00 H new ATOM 1010 N SER A 59 -2.044 -5.500 -2.399 1.00 0.00 N ATOM 1011 CA SER A 59 -3.242 -5.388 -3.215 1.00 0.00 C ATOM 1012 C SER A 59 -4.451 -5.246 -2.309 1.00 0.00 C ATOM 1013 O SER A 59 -4.736 -6.131 -1.502 1.00 0.00 O ATOM 1014 CB SER A 59 -3.389 -6.614 -4.124 1.00 0.00 C ATOM 1015 OG SER A 59 -4.470 -6.456 -5.027 1.00 0.00 O ATOM 0 H SER A 59 -1.725 -6.457 -2.249 1.00 0.00 H new ATOM 0 HA SER A 59 -3.165 -4.507 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.465 -6.769 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.547 -7.504 -3.515 1.00 0.00 H new ATOM 0 HG SER A 59 -4.540 -7.251 -5.596 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.139 -4.120 -2.413 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.255 -3.834 -1.530 1.00 0.00 C ATOM 1023 C VAL A 60 -7.487 -3.410 -2.306 1.00 0.00 C ATOM 1024 O VAL A 60 -7.396 -2.929 -3.437 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.910 -2.716 -0.522 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.646 -3.056 0.236 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.778 -1.371 -1.223 1.00 0.00 C ATOM 0 H VAL A 60 -4.944 -3.391 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.461 -4.760 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.728 -2.640 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.419 -2.257 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.788 -3.990 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.819 -3.166 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.535 -0.601 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.985 -1.426 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.720 -1.122 -1.712 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.638 -3.599 -1.690 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.868 -3.042 -2.209 1.00 0.00 C ATOM 1039 C ASP A 61 -9.903 -1.567 -1.850 1.00 0.00 C ATOM 1040 O ASP A 61 -9.855 -1.208 -0.669 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.083 -3.759 -1.624 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.374 -3.357 -2.304 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.869 -4.137 -3.142 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.904 -2.267 -1.998 1.00 0.00 O ATOM 0 H ASP A 61 -8.745 -4.135 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.903 -3.171 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.946 -4.836 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.153 -3.539 -0.559 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.958 -0.713 -2.861 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.852 0.724 -2.649 1.00 0.00 C ATOM 1051 C ALA A 62 -11.150 1.317 -2.117 1.00 0.00 C ATOM 1052 O ALA A 62 -11.262 2.531 -1.954 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.435 1.417 -3.935 1.00 0.00 C ATOM 0 H ALA A 62 -10.075 -0.989 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.086 0.890 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.360 2.491 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.467 1.033 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.178 1.226 -4.709 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.136 0.466 -1.876 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.365 0.908 -1.254 1.00 0.00 C ATOM 1061 C GLY A 63 -14.377 1.368 -2.272 1.00 0.00 C ATOM 1062 O GLY A 63 -15.530 0.936 -2.257 1.00 0.00 O ATOM 0 H GLY A 63 -12.105 -0.528 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.787 0.094 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.149 1.723 -0.563 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.936 2.242 -3.165 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.780 2.738 -4.241 1.00 0.00 C ATOM 1068 C ASP A 64 -15.206 1.588 -5.141 1.00 0.00 C ATOM 1069 O ASP A 64 -16.333 1.541 -5.634 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.024 3.787 -5.056 1.00 0.00 C ATOM 1071 CG ASP A 64 -14.937 4.601 -5.948 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -15.379 5.680 -5.511 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -15.209 4.171 -7.089 1.00 0.00 O ATOM 0 H ASP A 64 -12.990 2.625 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.669 3.198 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.494 4.456 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.271 3.292 -5.669 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.297 0.644 -5.322 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.570 -0.505 -6.155 1.00 0.00 C ATOM 1080 C GLY A 65 -13.310 -1.066 -6.771 1.00 0.00 C ATOM 1081 O GLY A 65 -13.205 -2.270 -6.996 1.00 0.00 O ATOM 0 H GLY A 65 -13.367 0.655 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.058 -1.277 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.266 -0.224 -6.945 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.350 -0.191 -7.036 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.101 -0.594 -7.663 1.00 0.00 C ATOM 1087 C GLU A 66 -10.235 -1.389 -6.709 1.00 0.00 C ATOM 1088 O GLU A 66 -10.416 -1.336 -5.492 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.320 0.619 -8.162 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.839 1.185 -9.467 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.997 2.338 -9.970 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.949 2.085 -10.600 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.382 3.504 -9.747 1.00 0.00 O ATOM 0 H GLU A 66 -12.414 0.805 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.361 -1.226 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.352 1.398 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.274 0.339 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.858 0.397 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.867 1.521 -9.331 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.290 -2.118 -7.269 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.363 -2.890 -6.478 1.00 0.00 C ATOM 1102 C LYS A 67 -6.947 -2.409 -6.742 1.00 0.00 C ATOM 1103 O LYS A 67 -6.373 -2.666 -7.800 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.516 -4.380 -6.773 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.868 -4.918 -6.336 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.996 -6.410 -6.567 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.289 -6.937 -5.969 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.412 -8.408 -6.109 1.00 0.00 N ATOM 0 H LYS A 67 -9.147 -2.189 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.582 -2.747 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.387 -4.552 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.726 -4.932 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.017 -4.702 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.656 -4.399 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.972 -6.621 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.146 -6.926 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.335 -6.669 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.136 -6.455 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.309 -8.723 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.395 -8.663 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.619 -8.871 -5.621 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.407 -1.682 -5.785 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.120 -1.036 -5.948 1.00 0.00 C ATOM 1124 C CYS A 68 -4.049 -1.796 -5.201 1.00 0.00 C ATOM 1125 O CYS A 68 -4.187 -2.084 -4.014 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.178 0.404 -5.442 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.517 1.405 -6.175 1.00 0.00 S ATOM 0 H CYS A 68 -6.845 -1.523 -4.877 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.874 -1.029 -7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.301 0.391 -4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.224 0.888 -5.649 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.992 -2.128 -5.904 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.868 -2.795 -5.300 1.00 0.00 C ATOM 1134 C LYS A 69 -0.777 -1.787 -4.995 1.00 0.00 C ATOM 1135 O LYS A 69 -0.090 -1.289 -5.894 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.362 -3.922 -6.202 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.004 -4.474 -5.803 1.00 0.00 C ATOM 1138 CD LYS A 69 0.240 -5.851 -6.403 1.00 0.00 C ATOM 1139 CE LYS A 69 0.052 -5.840 -7.911 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.303 -7.167 -8.524 1.00 0.00 N ATOM 0 H LYS A 69 -2.889 -1.944 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.182 -3.250 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.089 -4.734 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.306 -3.555 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.778 -3.790 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.060 -4.533 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.251 -6.180 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.444 -6.571 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.964 -5.522 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.726 -5.106 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.129 -7.115 -9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.290 -7.447 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.334 -7.871 -8.100 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.662 -1.455 -3.720 1.00 0.00 N ATOM 1155 CA PHE A 70 0.356 -0.543 -3.257 1.00 0.00 C ATOM 1156 C PHE A 70 1.708 -1.214 -3.324 1.00 0.00 C ATOM 1157 O PHE A 70 2.092 -1.973 -2.436 1.00 0.00 O ATOM 1158 CB PHE A 70 0.056 -0.068 -1.835 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.121 0.857 -1.763 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.955 2.220 -1.950 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.391 0.367 -1.516 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.038 3.076 -1.891 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.474 1.218 -1.452 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.299 2.575 -1.640 1.00 0.00 C ATOM 0 H PHE A 70 -1.272 -1.811 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 70 0.364 0.334 -3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.130 -0.934 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.934 0.438 -1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.030 2.617 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.536 -0.693 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.898 4.136 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.460 0.823 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.147 3.242 -1.591 1.00 0.00 H new ATOM 1174 N LYS A 71 2.398 -0.953 -4.413 1.00 0.00 N ATOM 1175 CA LYS A 71 3.704 -1.517 -4.650 1.00 0.00 C ATOM 1176 C LYS A 71 4.748 -0.700 -3.912 1.00 0.00 C ATOM 1177 O LYS A 71 5.425 0.170 -4.471 1.00 0.00 O ATOM 1178 CB LYS A 71 3.962 -1.589 -6.156 1.00 0.00 C ATOM 1179 CG LYS A 71 5.414 -1.735 -6.574 1.00 0.00 C ATOM 1180 CD LYS A 71 5.490 -2.151 -8.029 1.00 0.00 C ATOM 1181 CE LYS A 71 6.905 -2.064 -8.571 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.378 -0.661 -8.667 1.00 0.00 N ATOM 0 H LYS A 71 2.066 -0.342 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 71 3.760 -2.535 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.401 -2.431 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.560 -0.687 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.941 -0.792 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.909 -2.477 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.124 -3.172 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.834 -1.514 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.576 -2.629 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.945 -2.528 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.976 -0.553 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.560 -0.023 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.930 -0.422 -7.819 1.00 0.00 H new ATOM 1196 N ILE A 72 4.824 -0.942 -2.628 1.00 0.00 N ATOM 1197 CA ILE A 72 5.784 -0.269 -1.802 1.00 0.00 C ATOM 1198 C ILE A 72 7.106 -0.990 -1.927 1.00 0.00 C ATOM 1199 O ILE A 72 7.304 -2.051 -1.348 1.00 0.00 O ATOM 1200 CB ILE A 72 5.331 -0.214 -0.329 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.933 0.408 -0.238 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.323 0.590 0.500 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.278 0.239 1.116 1.00 0.00 C ATOM 0 H ILE A 72 4.227 -1.605 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 72 5.884 0.763 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 72 5.293 -1.229 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.003 1.471 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.295 -0.041 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.990 0.620 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.305 0.121 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.385 1.606 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.292 0.704 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.175 -0.823 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.894 0.714 1.880 1.00 0.00 H new ATOM 1215 N ARG A 73 8.001 -0.419 -2.713 1.00 0.00 N ATOM 1216 CA ARG A 73 9.305 -1.014 -2.977 1.00 0.00 C ATOM 1217 C ARG A 73 10.203 -0.856 -1.754 1.00 0.00 C ATOM 1218 O ARG A 73 11.427 -0.955 -1.837 1.00 0.00 O ATOM 1219 CB ARG A 73 9.908 -0.327 -4.202 1.00 0.00 C ATOM 1220 CG ARG A 73 11.138 -0.994 -4.785 1.00 0.00 C ATOM 1221 CD ARG A 73 11.505 -0.368 -6.118 1.00 0.00 C ATOM 1222 NE ARG A 73 11.720 1.074 -6.008 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.299 1.814 -6.954 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.787 1.237 -8.045 1.00 0.00 N ATOM 1225 NH2 ARG A 73 12.408 3.127 -6.794 1.00 0.00 N ATOM 0 H ARG A 73 7.847 0.471 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 73 9.207 -2.081 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.144 -0.271 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.165 0.697 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.973 -0.899 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.952 -2.060 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.409 -0.840 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.711 -0.562 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 73 11.408 1.542 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.719 0.226 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.230 1.805 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.049 3.569 -5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.851 3.694 -7.517 1.00 0.00 H new ATOM 1239 N LYS A 74 9.552 -0.650 -0.611 1.00 0.00 N ATOM 1240 CA LYS A 74 10.209 -0.351 0.649 1.00 0.00 C ATOM 1241 C LYS A 74 10.930 0.992 0.544 1.00 0.00 C ATOM 1242 O LYS A 74 10.960 1.605 -0.526 1.00 0.00 O ATOM 1243 CB LYS A 74 11.148 -1.502 1.057 1.00 0.00 C ATOM 1244 CG LYS A 74 10.426 -2.847 1.126 1.00 0.00 C ATOM 1245 CD LYS A 74 11.328 -3.992 1.571 1.00 0.00 C ATOM 1246 CE LYS A 74 10.623 -5.336 1.400 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.377 -6.471 2.005 1.00 0.00 N ATOM 0 H LYS A 74 8.535 -0.688 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 74 9.466 -0.263 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.968 -1.569 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.590 -1.280 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.586 -2.766 1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.012 -3.080 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.249 -3.983 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.610 -3.854 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.634 -5.281 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.476 -5.530 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.289 -7.310 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.380 -6.212 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.988 -6.684 2.946 1.00 0.00 H new ATOM 1261 N ASP A 75 11.482 1.464 1.649 1.00 0.00 N ATOM 1262 CA ASP A 75 12.159 2.764 1.672 1.00 0.00 C ATOM 1263 C ASP A 75 13.542 2.653 1.042 1.00 0.00 C ATOM 1264 O ASP A 75 14.520 3.186 1.565 1.00 0.00 O ATOM 1265 CB ASP A 75 12.287 3.256 3.116 1.00 0.00 C ATOM 1266 CG ASP A 75 12.343 4.770 3.241 1.00 0.00 C ATOM 1267 OD1 ASP A 75 11.277 5.416 3.121 1.00 0.00 O ATOM 1268 OD2 ASP A 75 13.432 5.315 3.519 1.00 0.00 O ATOM 0 H ASP A 75 11.479 0.973 2.543 1.00 0.00 H new ATOM 0 HA ASP A 75 11.568 3.477 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.442 2.883 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.188 2.830 3.558 1.00 0.00 H new ATOM 1273 N VAL A 76 13.620 1.948 -0.080 1.00 0.00 N ATOM 1274 CA VAL A 76 14.885 1.724 -0.755 1.00 0.00 C ATOM 1275 C VAL A 76 15.474 3.036 -1.253 1.00 0.00 C ATOM 1276 O VAL A 76 15.153 3.508 -2.351 1.00 0.00 O ATOM 1277 CB VAL A 76 14.754 0.717 -1.921 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.593 -0.696 -1.383 1.00 0.00 C ATOM 1279 CG2 VAL A 76 13.598 1.079 -2.848 1.00 0.00 C ATOM 0 H VAL A 76 12.816 1.521 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 76 15.563 1.289 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 76 15.670 0.765 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.502 -1.394 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.464 -0.958 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.697 -0.750 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.537 0.349 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.665 1.076 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.765 2.071 -3.268 1.00 0.00 H new ATOM 1289 N ASP A 77 16.295 3.642 -0.397 1.00 0.00 N ATOM 1290 CA ASP A 77 16.986 4.896 -0.700 1.00 0.00 C ATOM 1291 C ASP A 77 16.033 6.090 -0.594 1.00 0.00 C ATOM 1292 O ASP A 77 16.333 7.074 0.084 1.00 0.00 O ATOM 1293 CB ASP A 77 17.622 4.838 -2.091 1.00 0.00 C ATOM 1294 CG ASP A 77 18.577 5.981 -2.357 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.776 5.831 -2.046 1.00 0.00 O ATOM 1296 OD2 ASP A 77 18.142 7.016 -2.899 1.00 0.00 O ATOM 0 H ASP A 77 16.501 3.275 0.532 1.00 0.00 H new ATOM 0 HA ASP A 77 17.777 5.030 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.156 3.894 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.834 4.848 -2.844 1.00 0.00 H new ATOM 1301 N VAL A 78 14.883 5.998 -1.252 1.00 0.00 N ATOM 1302 CA VAL A 78 13.896 7.074 -1.230 1.00 0.00 C ATOM 1303 C VAL A 78 12.690 6.700 -0.379 1.00 0.00 C ATOM 1304 O VAL A 78 12.285 5.539 -0.316 1.00 0.00 O ATOM 1305 CB VAL A 78 13.402 7.451 -2.641 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.546 7.953 -3.499 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.700 6.276 -3.294 1.00 0.00 C ATOM 0 H VAL A 78 14.610 5.188 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 78 14.405 7.935 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 78 12.680 8.262 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.172 8.212 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.988 8.835 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.302 7.173 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.359 6.563 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.392 5.438 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.843 5.981 -2.688 1.00 0.00 H new ATOM 1317 N PRO A 79 12.110 7.701 0.282 1.00 0.00 N ATOM 1318 CA PRO A 79 10.944 7.537 1.135 1.00 0.00 C ATOM 1319 C PRO A 79 9.612 7.724 0.407 1.00 0.00 C ATOM 1320 O PRO A 79 8.765 8.515 0.835 1.00 0.00 O ATOM 1321 CB PRO A 79 11.127 8.655 2.139 1.00 0.00 C ATOM 1322 CG PRO A 79 11.828 9.740 1.396 1.00 0.00 C ATOM 1323 CD PRO A 79 12.582 9.087 0.272 1.00 0.00 C ATOM 0 HA PRO A 79 10.890 6.530 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.167 8.999 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.713 8.322 2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.113 10.467 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.508 10.281 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.374 9.572 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.659 9.142 0.430 1.00 0.00 H new ATOM 1331 N LYS A 80 9.414 6.982 -0.659 1.00 0.00 N ATOM 1332 CA LYS A 80 8.176 7.060 -1.427 1.00 0.00 C ATOM 1333 C LYS A 80 7.792 5.703 -1.990 1.00 0.00 C ATOM 1334 O LYS A 80 8.655 4.880 -2.293 1.00 0.00 O ATOM 1335 CB LYS A 80 8.300 8.077 -2.564 1.00 0.00 C ATOM 1336 CG LYS A 80 8.009 9.505 -2.132 1.00 0.00 C ATOM 1337 CD LYS A 80 8.341 10.507 -3.228 1.00 0.00 C ATOM 1338 CE LYS A 80 9.834 10.538 -3.522 1.00 0.00 C ATOM 1339 NZ LYS A 80 10.185 11.576 -4.525 1.00 0.00 N ATOM 0 H LYS A 80 10.093 6.313 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 80 7.391 7.388 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.308 8.028 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.614 7.801 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.957 9.596 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.587 9.739 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.796 10.249 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.008 11.500 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.381 10.727 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.152 9.561 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.211 11.562 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.684 11.382 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.906 12.512 -4.168 1.00 0.00 H new ATOM 1353 N MET A 81 6.492 5.477 -2.131 1.00 0.00 N ATOM 1354 CA MET A 81 5.996 4.234 -2.703 1.00 0.00 C ATOM 1355 C MET A 81 6.062 4.323 -4.216 1.00 0.00 C ATOM 1356 O MET A 81 5.225 4.975 -4.838 1.00 0.00 O ATOM 1357 CB MET A 81 4.553 3.943 -2.271 1.00 0.00 C ATOM 1358 CG MET A 81 4.345 3.870 -0.766 1.00 0.00 C ATOM 1359 SD MET A 81 4.387 5.492 0.018 1.00 0.00 S ATOM 1360 CE MET A 81 3.101 6.319 -0.908 1.00 0.00 C ATOM 0 H MET A 81 5.764 6.137 -1.857 1.00 0.00 H new ATOM 0 HA MET A 81 6.623 3.420 -2.339 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.903 4.718 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.238 2.998 -2.714 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.386 3.395 -0.558 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.116 3.238 -0.326 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.436 6.841 -0.220 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.551 7.038 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.531 5.584 -1.476 1.00 0.00 H new ATOM 1370 N VAL A 82 7.068 3.688 -4.798 1.00 0.00 N ATOM 1371 CA VAL A 82 7.278 3.732 -6.242 1.00 0.00 C ATOM 1372 C VAL A 82 6.054 3.213 -6.997 1.00 0.00 C ATOM 1373 O VAL A 82 5.750 3.666 -8.100 1.00 0.00 O ATOM 1374 CB VAL A 82 8.517 2.907 -6.649 1.00 0.00 C ATOM 1375 CG1 VAL A 82 8.278 1.419 -6.425 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.905 3.189 -8.091 1.00 0.00 C ATOM 0 H VAL A 82 7.757 3.132 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 82 7.441 4.776 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 82 9.349 3.210 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.166 0.860 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.069 1.239 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.428 1.093 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.781 2.596 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.077 2.925 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.136 4.248 -8.205 1.00 0.00 H new ATOM 1386 N GLY A 83 5.352 2.273 -6.387 1.00 0.00 N ATOM 1387 CA GLY A 83 4.207 1.681 -7.022 1.00 0.00 C ATOM 1388 C GLY A 83 2.969 1.782 -6.166 1.00 0.00 C ATOM 1389 O GLY A 83 3.042 1.756 -4.938 1.00 0.00 O ATOM 0 H GLY A 83 5.561 1.911 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.028 2.174 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.414 0.633 -7.238 1.00 0.00 H new ATOM 1393 N ARG A 84 1.837 1.897 -6.825 1.00 0.00 N ATOM 1394 CA ARG A 84 0.544 2.052 -6.174 1.00 0.00 C ATOM 1395 C ARG A 84 -0.521 1.996 -7.249 1.00 0.00 C ATOM 1396 O ARG A 84 -1.358 2.884 -7.386 1.00 0.00 O ATOM 1397 CB ARG A 84 0.486 3.369 -5.389 1.00 0.00 C ATOM 1398 CG ARG A 84 1.234 4.502 -6.066 1.00 0.00 C ATOM 1399 CD ARG A 84 1.543 5.622 -5.091 1.00 0.00 C ATOM 1400 NE ARG A 84 2.872 6.188 -5.316 1.00 0.00 N ATOM 1401 CZ ARG A 84 3.112 7.476 -5.542 1.00 0.00 C ATOM 1402 NH1 ARG A 84 2.107 8.327 -5.706 1.00 0.00 N ATOM 1403 NH2 ARG A 84 4.364 7.901 -5.649 1.00 0.00 N ATOM 0 H ARG A 84 1.782 1.886 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 84 0.380 1.252 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.556 3.659 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.903 3.210 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.162 4.123 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.638 4.891 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.793 6.407 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.477 5.244 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 84 3.669 5.552 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.144 7.994 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.298 9.314 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.136 7.241 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.554 8.888 -5.822 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.459 0.921 -8.010 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.223 0.795 -9.235 1.00 0.00 C ATOM 1419 C LYS A 85 -2.479 -0.025 -8.989 1.00 0.00 C ATOM 1420 O LYS A 85 -2.410 -1.114 -8.418 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.363 0.106 -10.296 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.712 0.465 -11.731 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.419 1.920 -12.037 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.578 2.208 -13.520 1.00 0.00 C ATOM 1425 NZ LYS A 85 -0.318 3.634 -13.844 1.00 0.00 N ATOM 0 H LYS A 85 0.122 0.111 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.512 1.788 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.682 0.359 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.455 -0.973 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.146 -0.170 -12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.768 0.262 -11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.092 2.558 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.596 2.164 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.107 1.577 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.588 1.944 -13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.438 3.785 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.988 4.236 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.654 3.881 -13.569 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.622 0.494 -9.397 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.849 -0.270 -9.299 1.00 0.00 C ATOM 1441 C CYS A 86 -5.051 -1.071 -10.567 1.00 0.00 C ATOM 1442 O CYS A 86 -5.219 -0.515 -11.651 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.061 0.626 -9.069 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.752 2.030 -7.950 1.00 0.00 S ATOM 0 H CYS A 86 -3.726 1.428 -9.794 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.756 -0.936 -8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.402 1.011 -10.030 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.872 0.023 -8.661 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.011 -2.371 -10.425 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.270 -3.269 -11.528 1.00 0.00 C ATOM 1451 C ARG A 87 -6.473 -4.117 -11.182 1.00 0.00 C ATOM 1452 O ARG A 87 -6.356 -5.253 -10.725 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.045 -4.123 -11.855 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.028 -3.401 -12.729 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.907 -4.329 -13.165 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.186 -3.816 -14.328 1.00 0.00 N ATOM 1457 CZ ARG A 87 -1.327 -4.301 -15.561 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -2.235 -5.236 -15.815 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.579 -3.832 -16.549 1.00 0.00 N ATOM 0 H ARG A 87 -4.799 -2.839 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.484 -2.692 -12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.564 -4.429 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.369 -5.033 -12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.527 -2.994 -13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.610 -2.557 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.209 -4.466 -12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.320 -5.310 -13.400 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.537 -3.042 -14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.829 -5.587 -15.064 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.338 -5.603 -16.761 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.106 -3.099 -16.366 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.688 -4.204 -17.492 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.634 -3.513 -11.364 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.887 -4.093 -10.929 1.00 0.00 C ATOM 1475 C LYS A 88 -9.385 -5.117 -11.943 1.00 0.00 C ATOM 1476 O LYS A 88 -10.127 -6.040 -11.599 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.922 -2.977 -10.752 1.00 0.00 C ATOM 1478 CG LYS A 88 -11.162 -3.405 -9.998 1.00 0.00 C ATOM 1479 CD LYS A 88 -12.365 -2.559 -10.384 1.00 0.00 C ATOM 1480 CE LYS A 88 -13.654 -3.148 -9.837 1.00 0.00 C ATOM 1481 NZ LYS A 88 -14.848 -2.381 -10.278 1.00 0.00 N ATOM 0 H LYS A 88 -7.732 -2.605 -11.819 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.734 -4.604 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.457 -2.144 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.215 -2.608 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.372 -4.454 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.985 -3.321 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.236 -1.545 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.428 -2.487 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.747 -4.183 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.613 -3.161 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.706 -2.816 -9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.773 -1.399 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.902 -2.390 -11.317 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.972 -4.946 -13.191 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.417 -5.817 -14.270 1.00 0.00 C ATOM 1497 C ASP A 89 -8.448 -6.979 -14.473 1.00 0.00 C ATOM 1498 O ASP A 89 -8.843 -8.144 -14.408 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.564 -5.013 -15.565 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.261 -5.792 -16.662 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -11.484 -6.024 -16.546 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -9.603 -6.145 -17.660 1.00 0.00 O ATOM 0 H ASP A 89 -8.328 -4.210 -13.482 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.387 -6.233 -13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.125 -4.101 -15.360 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.577 -4.708 -15.913 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.178 -6.661 -14.699 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.165 -7.686 -14.953 1.00 0.00 C ATOM 1509 C ASP A 90 -4.844 -7.331 -14.271 1.00 0.00 C ATOM 1510 O ASP A 90 -4.408 -6.180 -14.301 1.00 0.00 O ATOM 1511 CB ASP A 90 -5.946 -7.858 -16.464 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.261 -6.664 -17.110 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.854 -5.568 -17.139 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -4.123 -6.822 -17.604 1.00 0.00 O ATOM 0 H ASP A 90 -6.823 -5.705 -14.712 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.525 -8.627 -14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.346 -8.751 -16.638 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.909 -8.022 -16.948 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.210 -8.320 -13.653 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.937 -8.106 -12.973 1.00 0.00 C ATOM 1521 C ASP A 91 -1.938 -9.216 -13.283 1.00 0.00 C ATOM 1522 O ASP A 91 -2.096 -10.358 -12.849 1.00 0.00 O ATOM 1523 CB ASP A 91 -3.136 -8.000 -11.459 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.817 -7.972 -10.706 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.029 -7.023 -10.902 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.562 -8.898 -9.906 1.00 0.00 O ATOM 0 H ASP A 91 -4.556 -9.278 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.531 -7.166 -13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.701 -7.096 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.732 -8.845 -11.113 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.927 -8.870 -14.064 1.00 0.00 N ATOM 1532 CA ASP A 92 0.188 -9.770 -14.354 1.00 0.00 C ATOM 1533 C ASP A 92 1.482 -8.963 -14.423 1.00 0.00 C ATOM 1534 O ASP A 92 2.566 -9.493 -14.667 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.061 -10.513 -15.677 1.00 0.00 C ATOM 1536 CG ASP A 92 1.036 -11.501 -16.032 1.00 0.00 C ATOM 1537 OD1 ASP A 92 1.084 -12.590 -15.427 1.00 0.00 O ATOM 1538 OD2 ASP A 92 1.848 -11.200 -16.934 1.00 0.00 O ATOM 0 H ASP A 92 -0.852 -7.959 -14.516 1.00 0.00 H new ATOM 0 HA ASP A 92 0.274 -10.512 -13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.011 -11.044 -15.613 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.157 -9.784 -16.482 1.00 0.00 H new ATOM 1543 N ASP A 93 1.358 -7.668 -14.163 1.00 0.00 N ATOM 1544 CA ASP A 93 2.470 -6.741 -14.311 1.00 0.00 C ATOM 1545 C ASP A 93 2.990 -6.300 -12.950 1.00 0.00 C ATOM 1546 O ASP A 93 2.220 -5.902 -12.076 1.00 0.00 O ATOM 1547 CB ASP A 93 2.026 -5.525 -15.128 1.00 0.00 C ATOM 1548 CG ASP A 93 3.109 -4.470 -15.270 1.00 0.00 C ATOM 1549 OD1 ASP A 93 2.764 -3.277 -15.379 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.306 -4.822 -15.280 1.00 0.00 O ATOM 0 H ASP A 93 0.491 -7.234 -13.846 1.00 0.00 H new ATOM 0 HA ASP A 93 3.279 -7.249 -14.836 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.718 -5.855 -16.120 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.152 -5.077 -14.655 1.00 0.00 H new ATOM 1555 N ASP A 94 4.300 -6.379 -12.782 1.00 0.00 N ATOM 1556 CA ASP A 94 4.944 -5.983 -11.537 1.00 0.00 C ATOM 1557 C ASP A 94 5.533 -4.587 -11.662 1.00 0.00 C ATOM 1558 O ASP A 94 5.941 -3.984 -10.669 1.00 0.00 O ATOM 1559 CB ASP A 94 6.061 -6.962 -11.167 1.00 0.00 C ATOM 1560 CG ASP A 94 5.552 -8.322 -10.742 1.00 0.00 C ATOM 1561 OD1 ASP A 94 5.351 -9.188 -11.619 1.00 0.00 O ATOM 1562 OD2 ASP A 94 5.389 -8.546 -9.524 1.00 0.00 O ATOM 0 H ASP A 94 4.944 -6.716 -13.498 1.00 0.00 H new ATOM 0 HA ASP A 94 4.185 -5.991 -10.755 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.726 -7.082 -12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.655 -6.536 -10.358 1.00 0.00 H new ATOM 1567 N GLY A 95 5.574 -4.075 -12.882 1.00 0.00 N ATOM 1568 CA GLY A 95 6.201 -2.795 -13.127 1.00 0.00 C ATOM 1569 C GLY A 95 5.278 -1.634 -12.841 1.00 0.00 C ATOM 1570 O GLY A 95 4.567 -1.159 -13.728 1.00 0.00 O ATOM 0 H GLY A 95 5.183 -4.525 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.093 -2.707 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.528 -2.747 -14.166 1.00 0.00 H new ATOM 1574 N TYR A 96 5.287 -1.165 -11.605 1.00 0.00 N ATOM 1575 CA TYR A 96 4.442 -0.050 -11.218 1.00 0.00 C ATOM 1576 C TYR A 96 5.301 1.177 -10.992 1.00 0.00 C ATOM 1577 O TYR A 96 5.192 2.135 -11.778 1.00 0.00 O ATOM 1578 CB TYR A 96 3.647 -0.363 -9.950 1.00 0.00 C ATOM 1579 CG TYR A 96 2.575 -1.427 -10.095 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.272 -2.005 -11.324 1.00 0.00 C ATOM 1581 CD2 TYR A 96 1.845 -1.836 -8.987 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.275 -2.954 -11.441 1.00 0.00 C ATOM 1583 CE2 TYR A 96 0.852 -2.786 -9.098 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.569 -3.340 -10.326 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.432 -4.275 -10.436 1.00 0.00 O ATOM 1586 OXT TYR A 96 6.121 1.154 -10.052 1.00 0.00 O ATOM 0 H TYR A 96 5.869 -1.538 -10.855 1.00 0.00 H new ATOM 0 HA TYR A 96 3.730 0.134 -12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.344 -0.678 -9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.177 0.556 -9.601 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.826 -1.706 -12.202 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.059 -1.402 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.051 -3.390 -12.403 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.298 -3.095 -8.224 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.039 -5.157 -10.606 1.00 0.00 H new TER 1596 TYR A 96