USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 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 69 LYS NZ :NH3+ -163:sc= 0.027 (180deg=0) USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= 0.324 USER MOD Set 2.1: A 57 TYR OH : rot 125:sc= 0.394 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -146:sc= 1.76 (180deg=1.21) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.804 K(o=1.6,f=0.029) USER MOD Set 3.2: A 41 THR OG1 : rot 150:sc= 0.748 USER MOD Set 4.1: A 19 ASN : amide:sc= -1.22! K(o=-4.4!,f=-3.6) USER MOD Set 4.2: A 49 THR OG1 : rot -144:sc= -3.15! USER MOD Single : A 0 SER OG : rot 176:sc= -2.37! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 140:sc= 1.22 (180deg=0.555) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -0.856 (180deg=-2.99!) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.08) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0.522 (180deg=0.521) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.000529 (180deg=-0.138) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= 1.48 (180deg=0.979) USER MOD Single : A 37 TYR OH : rot -92:sc= -0.469 USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= -1.95! (180deg=-4.54!) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -1.47 (180deg=-2.04!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -1:sc= 0.879 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.21) USER MOD Single : A 56 TYR OH : rot -24:sc= 0.0376 USER MOD Single : A 59 SER OG : rot 180:sc= -1.13 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= -3.16! (180deg=-3.76!) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc=-0.00573 (180deg=-0.137) USER MOD Single : A 81 MET CE :methyl 145:sc= -0.455 (180deg=-3.09!) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0.781 (180deg=-0.00512!) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.373 (180deg=-0.732) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.776 8.723 2.740 1.00 0.00 N ATOM 2 CA GLY A -1 7.978 7.859 2.684 1.00 0.00 C ATOM 3 C GLY A -1 7.627 6.391 2.648 1.00 0.00 C ATOM 4 O GLY A -1 6.477 6.023 2.869 1.00 0.00 O ATOM 0 H1 GLY A -1 6.948 9.516 3.391 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.570 9.093 1.790 1.00 0.00 H new ATOM 0 H3 GLY A -1 5.965 8.168 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.564 8.112 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.607 8.059 3.551 1.00 0.00 H new ATOM 10 N SER A 0 8.614 5.552 2.359 1.00 0.00 N ATOM 11 CA SER A 0 8.425 4.111 2.380 1.00 0.00 C ATOM 12 C SER A 0 9.154 3.497 3.571 1.00 0.00 C ATOM 13 O SER A 0 8.877 2.363 3.955 1.00 0.00 O ATOM 14 CB SER A 0 8.906 3.498 1.067 1.00 0.00 C ATOM 15 OG SER A 0 10.179 4.004 0.704 1.00 0.00 O ATOM 0 H SER A 0 9.557 5.849 2.107 1.00 0.00 H new ATOM 0 HA SER A 0 7.362 3.895 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.957 2.414 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.187 3.713 0.277 1.00 0.00 H new ATOM 0 HG SER A 0 10.495 3.546 -0.102 1.00 0.00 H new ATOM 21 N LEU A 1 10.097 4.260 4.138 1.00 0.00 N ATOM 22 CA LEU A 1 10.757 3.904 5.397 1.00 0.00 C ATOM 23 C LEU A 1 11.326 2.488 5.364 1.00 0.00 C ATOM 24 O LEU A 1 11.702 1.980 4.302 1.00 0.00 O ATOM 25 CB LEU A 1 9.763 4.015 6.568 1.00 0.00 C ATOM 26 CG LEU A 1 9.454 5.427 7.089 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.790 6.288 6.024 1.00 0.00 C ATOM 28 CD2 LEU A 1 8.571 5.341 8.327 1.00 0.00 C ATOM 0 H LEU A 1 10.422 5.139 3.737 1.00 0.00 H new ATOM 0 HA LEU A 1 11.582 4.603 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.824 3.554 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.150 3.425 7.398 1.00 0.00 H new ATOM 0 HG LEU A 1 10.399 5.902 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.588 7.279 6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.453 6.378 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.853 5.825 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.356 6.346 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.637 4.839 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.087 4.777 9.104 1.00 0.00 H new ATOM 40 N ILE A 2 11.430 1.876 6.548 1.00 0.00 N ATOM 41 CA ILE A 2 11.713 0.451 6.662 1.00 0.00 C ATOM 42 C ILE A 2 13.201 0.144 6.472 1.00 0.00 C ATOM 43 O ILE A 2 13.841 -0.439 7.349 1.00 0.00 O ATOM 44 CB ILE A 2 10.830 -0.331 5.659 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.373 -0.290 6.124 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.297 -1.761 5.471 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.391 -0.803 5.098 1.00 0.00 C ATOM 0 H ILE A 2 11.321 2.353 7.443 1.00 0.00 H new ATOM 0 HA ILE A 2 11.466 0.127 7.673 1.00 0.00 H new ATOM 0 HB ILE A 2 10.917 0.153 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.275 -0.881 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.112 0.737 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.645 -2.266 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.319 -1.763 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.263 -2.283 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.380 -0.743 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.459 -0.197 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.624 -1.840 4.858 1.00 0.00 H new ATOM 59 N LEU A 3 13.754 0.552 5.344 1.00 0.00 N ATOM 60 CA LEU A 3 15.169 0.346 5.065 1.00 0.00 C ATOM 61 C LEU A 3 15.924 1.659 5.210 1.00 0.00 C ATOM 62 O LEU A 3 17.002 1.706 5.802 1.00 0.00 O ATOM 63 CB LEU A 3 15.346 -0.214 3.660 1.00 0.00 C ATOM 64 CG LEU A 3 14.542 -1.479 3.366 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.780 -1.922 1.937 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.904 -2.589 4.340 1.00 0.00 C ATOM 0 H LEU A 3 13.244 1.030 4.601 1.00 0.00 H new ATOM 0 HA LEU A 3 15.573 -0.370 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.063 0.554 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.403 -0.427 3.500 1.00 0.00 H new ATOM 0 HG LEU A 3 13.483 -1.256 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.203 -2.825 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.468 -1.132 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.840 -2.129 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.319 -3.479 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.966 -2.820 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.688 -2.265 5.358 1.00 0.00 H new ATOM 78 N ASP A 4 15.324 2.723 4.684 1.00 0.00 N ATOM 79 CA ASP A 4 15.911 4.061 4.720 1.00 0.00 C ATOM 80 C ASP A 4 17.247 4.081 3.993 1.00 0.00 C ATOM 81 O ASP A 4 18.312 4.168 4.610 1.00 0.00 O ATOM 82 CB ASP A 4 16.061 4.566 6.157 1.00 0.00 C ATOM 83 CG ASP A 4 14.728 4.693 6.865 1.00 0.00 C ATOM 84 OD1 ASP A 4 14.420 3.835 7.723 1.00 0.00 O ATOM 85 OD2 ASP A 4 13.980 5.649 6.567 1.00 0.00 O ATOM 0 H ASP A 4 14.416 2.683 4.220 1.00 0.00 H new ATOM 0 HA ASP A 4 15.231 4.738 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.702 3.883 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 4 16.559 5.536 6.149 1.00 0.00 H new ATOM 90 N GLY A 5 17.172 3.984 2.674 1.00 0.00 N ATOM 91 CA GLY A 5 18.354 3.903 1.846 1.00 0.00 C ATOM 92 C GLY A 5 19.146 2.637 2.088 1.00 0.00 C ATOM 93 O GLY A 5 20.369 2.628 1.941 1.00 0.00 O ATOM 0 H GLY A 5 16.294 3.960 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.062 3.950 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 5 18.989 4.767 2.040 1.00 0.00 H new ATOM 97 N ASP A 6 18.457 1.561 2.441 1.00 0.00 N ATOM 98 CA ASP A 6 19.128 0.300 2.743 1.00 0.00 C ATOM 99 C ASP A 6 18.393 -0.859 2.070 1.00 0.00 C ATOM 100 O ASP A 6 17.721 -0.656 1.063 1.00 0.00 O ATOM 101 CB ASP A 6 19.219 0.100 4.262 1.00 0.00 C ATOM 102 CG ASP A 6 20.222 -0.970 4.654 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.819 -1.958 5.300 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.412 -0.835 4.302 1.00 0.00 O ATOM 0 H ASP A 6 17.441 1.533 2.526 1.00 0.00 H new ATOM 0 HA ASP A 6 20.144 0.329 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.498 1.043 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.236 -0.170 4.648 1.00 0.00 H new ATOM 109 N LEU A 7 18.497 -2.059 2.632 1.00 0.00 N ATOM 110 CA LEU A 7 17.984 -3.265 1.988 1.00 0.00 C ATOM 111 C LEU A 7 17.650 -4.328 3.026 1.00 0.00 C ATOM 112 O LEU A 7 17.955 -4.172 4.209 1.00 0.00 O ATOM 113 CB LEU A 7 19.012 -3.837 1.001 1.00 0.00 C ATOM 114 CG LEU A 7 19.247 -3.020 -0.271 1.00 0.00 C ATOM 115 CD1 LEU A 7 20.429 -3.574 -1.046 1.00 0.00 C ATOM 116 CD2 LEU A 7 17.999 -3.011 -1.138 1.00 0.00 C ATOM 0 H LEU A 7 18.935 -2.223 3.538 1.00 0.00 H new ATOM 0 HA LEU A 7 17.079 -2.989 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.964 -3.945 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.691 -4.838 0.712 1.00 0.00 H new ATOM 0 HG LEU A 7 19.473 -1.993 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.583 -2.982 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.324 -3.529 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.230 -4.610 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.185 -2.425 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.742 -4.033 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.173 -2.568 -0.582 1.00 0.00 H new ATOM 128 N LEU A 8 17.029 -5.407 2.576 1.00 0.00 N ATOM 129 CA LEU A 8 16.749 -6.550 3.433 1.00 0.00 C ATOM 130 C LEU A 8 16.979 -7.836 2.651 1.00 0.00 C ATOM 131 O LEU A 8 16.361 -8.068 1.613 1.00 0.00 O ATOM 132 CB LEU A 8 15.321 -6.502 4.011 1.00 0.00 C ATOM 133 CG LEU A 8 14.165 -6.719 3.024 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.853 -6.856 3.780 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.076 -5.577 2.026 1.00 0.00 C ATOM 0 H LEU A 8 16.707 -5.516 1.614 1.00 0.00 H new ATOM 0 HA LEU A 8 17.431 -6.517 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.246 -7.258 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.181 -5.533 4.490 1.00 0.00 H new ATOM 0 HG LEU A 8 14.358 -7.638 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.039 -7.010 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.910 -7.708 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.668 -5.948 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.249 -5.757 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.908 -4.641 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.007 -5.512 1.463 1.00 0.00 H new ATOM 147 N LYS A 9 17.891 -8.656 3.142 1.00 0.00 N ATOM 148 CA LYS A 9 18.304 -9.857 2.429 1.00 0.00 C ATOM 149 C LYS A 9 17.626 -11.090 3.010 1.00 0.00 C ATOM 150 O LYS A 9 17.566 -12.143 2.374 1.00 0.00 O ATOM 151 CB LYS A 9 19.822 -10.001 2.517 1.00 0.00 C ATOM 152 CG LYS A 9 20.567 -8.766 2.036 1.00 0.00 C ATOM 153 CD LYS A 9 22.011 -8.770 2.498 1.00 0.00 C ATOM 154 CE LYS A 9 22.713 -7.471 2.141 1.00 0.00 C ATOM 155 NZ LYS A 9 24.057 -7.382 2.768 1.00 0.00 N ATOM 0 H LYS A 9 18.363 -8.513 4.035 1.00 0.00 H new ATOM 0 HA LYS A 9 18.006 -9.767 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.102 -10.208 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.134 -10.860 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.533 -8.721 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.068 -7.871 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.049 -8.921 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.538 -9.607 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.811 -7.396 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.104 -6.627 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.505 -6.482 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.961 -7.428 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.647 -8.173 2.439 1.00 0.00 H new ATOM 169 N ASP A 10 17.116 -10.951 4.221 1.00 0.00 N ATOM 170 CA ASP A 10 16.462 -12.055 4.907 1.00 0.00 C ATOM 171 C ASP A 10 14.955 -12.021 4.676 1.00 0.00 C ATOM 172 O ASP A 10 14.303 -13.065 4.660 1.00 0.00 O ATOM 173 CB ASP A 10 16.776 -12.013 6.406 1.00 0.00 C ATOM 174 CG ASP A 10 16.195 -10.802 7.111 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.695 -10.958 8.243 1.00 0.00 O ATOM 176 OD2 ASP A 10 16.234 -9.691 6.538 1.00 0.00 O ATOM 0 H ASP A 10 17.142 -10.081 4.753 1.00 0.00 H new ATOM 0 HA ASP A 10 16.847 -12.988 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.390 -12.917 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.857 -12.020 6.543 1.00 0.00 H new ATOM 181 N LYS A 11 14.418 -10.814 4.494 1.00 0.00 N ATOM 182 CA LYS A 11 12.996 -10.611 4.197 1.00 0.00 C ATOM 183 C LYS A 11 12.097 -11.209 5.283 1.00 0.00 C ATOM 184 O LYS A 11 12.567 -11.572 6.363 1.00 0.00 O ATOM 185 CB LYS A 11 12.639 -11.189 2.822 1.00 0.00 C ATOM 186 CG LYS A 11 13.350 -10.497 1.667 1.00 0.00 C ATOM 187 CD LYS A 11 12.731 -10.832 0.312 1.00 0.00 C ATOM 188 CE LYS A 11 13.058 -12.244 -0.166 1.00 0.00 C ATOM 189 NZ LYS A 11 12.370 -13.299 0.625 1.00 0.00 N ATOM 0 H LYS A 11 14.955 -9.948 4.548 1.00 0.00 H new ATOM 0 HA LYS A 11 12.818 -9.536 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.888 -12.250 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.562 -11.112 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.319 -9.418 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.400 -10.788 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.649 -10.719 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.083 -10.114 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.776 -12.341 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.135 -12.400 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.073 -14.069 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.021 -13.674 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.534 -12.893 1.093 1.00 0.00 H new ATOM 203 N LEU A 12 10.802 -11.284 5.001 1.00 0.00 N ATOM 204 CA LEU A 12 9.840 -11.800 5.964 1.00 0.00 C ATOM 205 C LEU A 12 9.647 -13.303 5.816 1.00 0.00 C ATOM 206 O LEU A 12 10.141 -14.084 6.633 1.00 0.00 O ATOM 207 CB LEU A 12 8.486 -11.101 5.806 1.00 0.00 C ATOM 208 CG LEU A 12 8.507 -9.588 6.017 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.156 -8.988 5.669 1.00 0.00 C ATOM 210 CD2 LEU A 12 8.893 -9.256 7.449 1.00 0.00 C ATOM 0 H LEU A 12 10.395 -10.993 4.112 1.00 0.00 H new ATOM 0 HA LEU A 12 10.243 -11.597 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.103 -11.307 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.783 -11.541 6.514 1.00 0.00 H new ATOM 0 HG LEU A 12 9.256 -9.154 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.186 -7.910 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.923 -9.198 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.388 -9.425 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.903 -8.174 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.169 -9.699 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.884 -9.657 7.661 1.00 0.00 H new ATOM 222 N LYS A 13 8.928 -13.702 4.769 1.00 0.00 N ATOM 223 CA LYS A 13 8.461 -15.080 4.643 1.00 0.00 C ATOM 224 C LYS A 13 7.745 -15.308 3.308 1.00 0.00 C ATOM 225 O LYS A 13 7.904 -14.525 2.367 1.00 0.00 O ATOM 226 CB LYS A 13 7.531 -15.393 5.823 1.00 0.00 C ATOM 227 CG LYS A 13 6.473 -14.327 6.044 1.00 0.00 C ATOM 228 CD LYS A 13 5.857 -14.429 7.423 1.00 0.00 C ATOM 229 CE LYS A 13 5.054 -13.187 7.750 1.00 0.00 C ATOM 230 NZ LYS A 13 4.543 -13.209 9.144 1.00 0.00 N ATOM 0 H LYS A 13 8.657 -13.092 3.998 1.00 0.00 H new ATOM 0 HA LYS A 13 9.319 -15.752 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.042 -16.352 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.127 -15.499 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.918 -13.340 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.693 -14.426 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.213 -15.307 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.642 -14.566 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.676 -12.304 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.216 -13.104 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.826 -12.465 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.116 -14.136 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.329 -13.041 9.804 1.00 0.00 H new ATOM 244 N LEU A 14 6.965 -16.384 3.240 1.00 0.00 N ATOM 245 CA LEU A 14 6.283 -16.803 2.024 1.00 0.00 C ATOM 246 C LEU A 14 5.201 -15.807 1.595 1.00 0.00 C ATOM 247 O LEU A 14 4.860 -14.885 2.342 1.00 0.00 O ATOM 248 CB LEU A 14 5.657 -18.185 2.250 1.00 0.00 C ATOM 249 CG LEU A 14 6.599 -19.378 2.102 1.00 0.00 C ATOM 250 CD1 LEU A 14 7.630 -19.373 3.205 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.813 -20.679 2.106 1.00 0.00 C ATOM 0 H LEU A 14 6.788 -16.994 4.038 1.00 0.00 H new ATOM 0 HA LEU A 14 7.020 -16.845 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.228 -18.208 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.833 -18.308 1.547 1.00 0.00 H new ATOM 0 HG LEU A 14 7.118 -19.296 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.294 -20.229 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.212 -18.453 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.129 -19.434 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.499 -21.519 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.268 -20.772 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.107 -20.680 1.276 1.00 0.00 H new ATOM 263 N PRO A 15 4.666 -15.986 0.369 1.00 0.00 N ATOM 264 CA PRO A 15 3.575 -15.162 -0.177 1.00 0.00 C ATOM 265 C PRO A 15 2.400 -14.973 0.785 1.00 0.00 C ATOM 266 O PRO A 15 2.195 -15.775 1.695 1.00 0.00 O ATOM 267 CB PRO A 15 3.131 -15.957 -1.403 1.00 0.00 C ATOM 268 CG PRO A 15 4.365 -16.636 -1.859 1.00 0.00 C ATOM 269 CD PRO A 15 5.116 -16.998 -0.609 1.00 0.00 C ATOM 0 HA PRO A 15 3.912 -14.147 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.351 -16.675 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.726 -15.304 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.129 -17.524 -2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.959 -15.982 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.880 -18.009 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.194 -16.956 -0.762 1.00 0.00 H new ATOM 277 N VAL A 16 1.626 -13.917 0.513 1.00 0.00 N ATOM 278 CA VAL A 16 0.525 -13.431 1.356 1.00 0.00 C ATOM 279 C VAL A 16 0.846 -13.461 2.856 1.00 0.00 C ATOM 280 O VAL A 16 0.869 -14.494 3.525 1.00 0.00 O ATOM 281 CB VAL A 16 -0.834 -14.091 1.027 1.00 0.00 C ATOM 282 CG1 VAL A 16 -0.850 -15.567 1.372 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.980 -13.332 1.695 1.00 0.00 C ATOM 0 H VAL A 16 1.752 -13.356 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 16 0.417 -12.378 1.097 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.980 -14.029 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.824 -15.988 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.076 -16.082 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.661 -15.694 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.927 -13.813 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.839 -13.338 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.993 -12.303 1.336 1.00 0.00 H new ATOM 293 N ILE A 17 1.103 -12.272 3.349 1.00 0.00 N ATOM 294 CA ILE A 17 1.517 -12.035 4.718 1.00 0.00 C ATOM 295 C ILE A 17 0.275 -11.874 5.608 1.00 0.00 C ATOM 296 O ILE A 17 -0.848 -11.975 5.118 1.00 0.00 O ATOM 297 CB ILE A 17 2.415 -10.765 4.760 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.391 -10.773 3.582 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.209 -10.670 6.047 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.277 -9.546 3.509 1.00 0.00 C ATOM 0 H ILE A 17 1.029 -11.418 2.796 1.00 0.00 H new ATOM 0 HA ILE A 17 2.093 -12.880 5.095 1.00 0.00 H new ATOM 0 HB ILE A 17 1.751 -9.903 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.021 -11.660 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.825 -10.856 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.821 -9.768 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.525 -10.630 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.853 -11.544 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.940 -9.627 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.657 -8.655 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.872 -9.472 4.419 1.00 0.00 H new ATOM 312 N ASP A 18 0.484 -11.601 6.896 1.00 0.00 N ATOM 313 CA ASP A 18 -0.594 -11.520 7.896 1.00 0.00 C ATOM 314 C ASP A 18 -1.634 -10.443 7.572 1.00 0.00 C ATOM 315 O ASP A 18 -2.628 -10.310 8.291 1.00 0.00 O ATOM 316 CB ASP A 18 0.006 -11.212 9.274 1.00 0.00 C ATOM 317 CG ASP A 18 1.179 -12.105 9.615 1.00 0.00 C ATOM 318 OD1 ASP A 18 2.304 -11.806 9.160 1.00 0.00 O ATOM 319 OD2 ASP A 18 0.993 -13.106 10.336 1.00 0.00 O ATOM 0 H ASP A 18 1.412 -11.428 7.283 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.099 -12.486 7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.328 -10.171 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.766 -11.327 10.035 1.00 0.00 H new ATOM 324 N ASN A 19 -1.387 -9.666 6.514 1.00 0.00 N ATOM 325 CA ASN A 19 -2.243 -8.536 6.119 1.00 0.00 C ATOM 326 C ASN A 19 -2.077 -7.364 7.079 1.00 0.00 C ATOM 327 O ASN A 19 -1.941 -6.221 6.653 1.00 0.00 O ATOM 328 CB ASN A 19 -3.722 -8.939 6.015 1.00 0.00 C ATOM 329 CG ASN A 19 -4.012 -9.838 4.826 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.872 -10.711 4.891 1.00 0.00 O ATOM 331 ND2 ASN A 19 -3.311 -9.620 3.721 1.00 0.00 N ATOM 0 H ASN A 19 -0.583 -9.801 5.901 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.918 -8.224 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.018 -9.451 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.333 -8.040 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.480 -10.187 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.604 -8.885 3.702 1.00 0.00 H new ATOM 338 N LEU A 20 -2.062 -7.660 8.371 1.00 0.00 N ATOM 339 CA LEU A 20 -1.821 -6.667 9.402 1.00 0.00 C ATOM 340 C LEU A 20 -0.452 -6.017 9.215 1.00 0.00 C ATOM 341 O LEU A 20 -0.264 -4.845 9.529 1.00 0.00 O ATOM 342 CB LEU A 20 -1.924 -7.333 10.774 1.00 0.00 C ATOM 343 CG LEU A 20 -1.422 -6.501 11.951 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.214 -5.206 12.084 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.496 -7.312 13.231 1.00 0.00 C ATOM 0 H LEU A 20 -2.218 -8.601 8.733 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.572 -5.881 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.967 -7.592 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.363 -8.267 10.747 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.381 -6.235 11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.835 -4.633 12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.108 -4.619 11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.267 -5.438 12.245 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.136 -6.710 14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.529 -7.607 13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.877 -8.204 13.133 1.00 0.00 H new ATOM 357 N PHE A 21 0.501 -6.777 8.688 1.00 0.00 N ATOM 358 CA PHE A 21 1.818 -6.228 8.393 1.00 0.00 C ATOM 359 C PHE A 21 1.704 -5.177 7.292 1.00 0.00 C ATOM 360 O PHE A 21 2.400 -4.165 7.307 1.00 0.00 O ATOM 361 CB PHE A 21 2.790 -7.334 7.972 1.00 0.00 C ATOM 362 CG PHE A 21 4.223 -6.881 7.948 1.00 0.00 C ATOM 363 CD1 PHE A 21 5.022 -7.020 9.071 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.767 -6.305 6.811 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.336 -6.595 9.060 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.080 -5.878 6.794 1.00 0.00 C ATOM 367 CZ PHE A 21 6.866 -6.023 7.921 1.00 0.00 C ATOM 0 H PHE A 21 0.388 -7.764 8.458 1.00 0.00 H new ATOM 0 HA PHE A 21 2.209 -5.761 9.297 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.693 -8.176 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.513 -7.696 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.613 -7.466 9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.157 -6.189 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.949 -6.710 9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.492 -5.431 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.893 -5.689 7.911 1.00 0.00 H new ATOM 377 N GLY A 22 0.801 -5.417 6.349 1.00 0.00 N ATOM 378 CA GLY A 22 0.568 -4.460 5.288 1.00 0.00 C ATOM 379 C GLY A 22 -0.261 -3.300 5.777 1.00 0.00 C ATOM 380 O GLY A 22 -0.172 -2.188 5.258 1.00 0.00 O ATOM 0 H GLY A 22 0.226 -6.258 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.522 -4.095 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.060 -4.950 4.457 1.00 0.00 H new ATOM 384 N LYS A 23 -1.075 -3.578 6.783 1.00 0.00 N ATOM 385 CA LYS A 23 -1.867 -2.562 7.447 1.00 0.00 C ATOM 386 C LYS A 23 -0.934 -1.596 8.158 1.00 0.00 C ATOM 387 O LYS A 23 -1.177 -0.395 8.208 1.00 0.00 O ATOM 388 CB LYS A 23 -2.799 -3.228 8.457 1.00 0.00 C ATOM 389 CG LYS A 23 -4.060 -2.438 8.757 1.00 0.00 C ATOM 390 CD LYS A 23 -4.981 -2.355 7.552 1.00 0.00 C ATOM 391 CE LYS A 23 -6.272 -1.632 7.899 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.243 -1.645 6.773 1.00 0.00 N ATOM 0 H LYS A 23 -1.203 -4.517 7.161 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.465 -2.017 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.081 -4.211 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.254 -3.387 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.591 -2.904 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.790 -1.432 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.476 -1.833 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.208 -3.359 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.725 -2.100 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.047 -0.601 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.114 -1.156 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.829 -1.160 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.466 -2.628 6.518 1.00 0.00 H new ATOM 406 N GLU A 24 0.130 -2.160 8.714 1.00 0.00 N ATOM 407 CA GLU A 24 1.206 -1.409 9.319 1.00 0.00 C ATOM 408 C GLU A 24 1.907 -0.530 8.294 1.00 0.00 C ATOM 409 O GLU A 24 2.142 0.655 8.537 1.00 0.00 O ATOM 410 CB GLU A 24 2.178 -2.400 9.921 1.00 0.00 C ATOM 411 CG GLU A 24 1.891 -2.718 11.368 1.00 0.00 C ATOM 412 CD GLU A 24 2.300 -1.598 12.301 1.00 0.00 C ATOM 413 OE1 GLU A 24 1.561 -0.600 12.401 1.00 0.00 O ATOM 414 OE2 GLU A 24 3.358 -1.715 12.947 1.00 0.00 O ATOM 0 H GLU A 24 0.266 -3.170 8.755 1.00 0.00 H new ATOM 0 HA GLU A 24 0.809 -0.747 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.150 -3.323 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.189 -2.002 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.826 -2.916 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.418 -3.630 11.648 1.00 0.00 H new ATOM 421 N LEU A 25 2.259 -1.129 7.158 1.00 0.00 N ATOM 422 CA LEU A 25 2.819 -0.391 6.030 1.00 0.00 C ATOM 423 C LEU A 25 1.947 0.819 5.713 1.00 0.00 C ATOM 424 O LEU A 25 2.339 1.966 5.934 1.00 0.00 O ATOM 425 CB LEU A 25 2.877 -1.279 4.789 1.00 0.00 C ATOM 426 CG LEU A 25 3.665 -2.572 4.933 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.586 -3.370 3.644 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.107 -2.278 5.306 1.00 0.00 C ATOM 0 H LEU A 25 2.165 -2.131 6.995 1.00 0.00 H new ATOM 0 HA LEU A 25 3.824 -0.069 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.857 -1.529 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.310 -0.701 3.973 1.00 0.00 H new ATOM 0 HG LEU A 25 3.229 -3.167 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.152 -4.295 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.545 -3.606 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.004 -2.783 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.656 -3.215 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.567 -1.668 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.135 -1.739 6.253 1.00 0.00 H new ATOM 440 N LEU A 26 0.750 0.534 5.205 1.00 0.00 N ATOM 441 CA LEU A 26 -0.222 1.548 4.845 1.00 0.00 C ATOM 442 C LEU A 26 -0.508 2.529 5.984 1.00 0.00 C ATOM 443 O LEU A 26 -0.901 3.658 5.735 1.00 0.00 O ATOM 444 CB LEU A 26 -1.519 0.874 4.400 1.00 0.00 C ATOM 445 CG LEU A 26 -1.502 0.315 2.977 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.671 -0.632 2.753 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.504 1.432 1.978 1.00 0.00 C ATOM 0 H LEU A 26 0.430 -0.419 5.032 1.00 0.00 H new ATOM 0 HA LEU A 26 0.204 2.130 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.744 0.061 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.332 1.595 4.481 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.585 -0.258 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.637 -1.017 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.607 -1.462 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.608 -0.097 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.492 1.018 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.401 2.037 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.621 2.054 2.126 1.00 0.00 H new ATOM 459 N ASP A 27 -0.331 2.098 7.225 1.00 0.00 N ATOM 460 CA ASP A 27 -0.536 2.981 8.373 1.00 0.00 C ATOM 461 C ASP A 27 0.510 4.087 8.403 1.00 0.00 C ATOM 462 O ASP A 27 0.181 5.266 8.539 1.00 0.00 O ATOM 463 CB ASP A 27 -0.484 2.181 9.675 1.00 0.00 C ATOM 464 CG ASP A 27 -0.636 3.046 10.907 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.761 3.518 11.171 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.362 3.234 11.635 1.00 0.00 O ATOM 0 H ASP A 27 -0.047 1.148 7.466 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.520 3.439 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.274 1.430 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.464 1.646 9.728 1.00 0.00 H new ATOM 471 N LYS A 28 1.770 3.704 8.256 1.00 0.00 N ATOM 472 CA LYS A 28 2.863 4.666 8.271 1.00 0.00 C ATOM 473 C LYS A 28 2.820 5.536 7.023 1.00 0.00 C ATOM 474 O LYS A 28 3.029 6.748 7.083 1.00 0.00 O ATOM 475 CB LYS A 28 4.214 3.952 8.335 1.00 0.00 C ATOM 476 CG LYS A 28 4.317 2.921 9.441 1.00 0.00 C ATOM 477 CD LYS A 28 5.693 2.281 9.470 1.00 0.00 C ATOM 478 CE LYS A 28 5.739 1.102 10.427 1.00 0.00 C ATOM 479 NZ LYS A 28 5.282 1.465 11.795 1.00 0.00 N ATOM 0 H LYS A 28 2.061 2.735 8.125 1.00 0.00 H new ATOM 0 HA LYS A 28 2.746 5.290 9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.400 3.463 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.000 4.695 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.113 3.393 10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.558 2.152 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.962 1.948 8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.434 3.022 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.114 0.298 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.758 0.718 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.458 0.670 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.804 2.302 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.264 1.677 11.776 1.00 0.00 H new ATOM 493 N PHE A 29 2.530 4.907 5.893 1.00 0.00 N ATOM 494 CA PHE A 29 2.587 5.585 4.606 1.00 0.00 C ATOM 495 C PHE A 29 1.242 6.208 4.263 1.00 0.00 C ATOM 496 O PHE A 29 1.069 6.769 3.182 1.00 0.00 O ATOM 497 CB PHE A 29 3.008 4.607 3.502 1.00 0.00 C ATOM 498 CG PHE A 29 4.095 3.654 3.918 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.071 2.338 3.495 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.123 4.064 4.754 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.048 1.449 3.895 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.103 3.182 5.153 1.00 0.00 C ATOM 503 CZ PHE A 29 6.065 1.871 4.724 1.00 0.00 C ATOM 0 H PHE A 29 2.252 3.927 5.841 1.00 0.00 H new ATOM 0 HA PHE A 29 3.330 6.380 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.137 4.034 3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.348 5.175 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.278 2.002 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.156 5.088 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.016 0.423 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.900 3.516 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.831 1.177 5.037 1.00 0.00 H new ATOM 513 N GLN A 30 0.293 6.109 5.190 1.00 0.00 N ATOM 514 CA GLN A 30 -1.014 6.691 5.024 1.00 0.00 C ATOM 515 C GLN A 30 -0.904 8.174 4.719 1.00 0.00 C ATOM 516 O GLN A 30 -1.615 8.696 3.867 1.00 0.00 O ATOM 517 CB GLN A 30 -1.821 6.476 6.298 1.00 0.00 C ATOM 518 CG GLN A 30 -3.215 6.984 6.187 1.00 0.00 C ATOM 519 CD GLN A 30 -3.937 7.070 7.515 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.893 8.096 8.190 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.596 5.990 7.904 1.00 0.00 N ATOM 0 H GLN A 30 0.420 5.619 6.076 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.517 6.209 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.844 5.412 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.322 6.975 7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.197 7.973 5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.778 6.333 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.607 5.159 7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.093 5.989 8.795 1.00 0.00 H new ATOM 530 N ASP A 31 0.014 8.838 5.404 1.00 0.00 N ATOM 531 CA ASP A 31 0.222 10.268 5.223 1.00 0.00 C ATOM 532 C ASP A 31 0.749 10.571 3.823 1.00 0.00 C ATOM 533 O ASP A 31 0.519 11.649 3.289 1.00 0.00 O ATOM 534 CB ASP A 31 1.195 10.802 6.279 1.00 0.00 C ATOM 535 CG ASP A 31 1.488 12.281 6.110 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.621 13.107 6.457 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.593 12.624 5.638 1.00 0.00 O ATOM 0 H ASP A 31 0.630 8.408 6.094 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.740 10.767 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.778 10.629 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.129 10.242 6.223 1.00 0.00 H new ATOM 542 N ASP A 32 1.432 9.608 3.219 1.00 0.00 N ATOM 543 CA ASP A 32 2.002 9.799 1.890 1.00 0.00 C ATOM 544 C ASP A 32 0.953 9.481 0.831 1.00 0.00 C ATOM 545 O ASP A 32 0.821 10.179 -0.173 1.00 0.00 O ATOM 546 CB ASP A 32 3.228 8.911 1.697 1.00 0.00 C ATOM 547 CG ASP A 32 4.106 9.370 0.548 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.664 9.301 -0.612 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.249 9.808 0.810 1.00 0.00 O ATOM 0 H ASP A 32 1.605 8.689 3.626 1.00 0.00 H new ATOM 0 HA ASP A 32 2.313 10.839 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.814 8.902 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.905 7.886 1.515 1.00 0.00 H new ATOM 554 N ILE A 33 0.187 8.431 1.085 1.00 0.00 N ATOM 555 CA ILE A 33 -0.893 8.027 0.197 1.00 0.00 C ATOM 556 C ILE A 33 -2.030 9.051 0.239 1.00 0.00 C ATOM 557 O ILE A 33 -2.679 9.325 -0.770 1.00 0.00 O ATOM 558 CB ILE A 33 -1.405 6.620 0.580 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.283 5.597 0.380 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.624 6.236 -0.248 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.409 4.363 1.251 1.00 0.00 C ATOM 0 H ILE A 33 0.295 7.838 1.908 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.511 7.985 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.704 6.631 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.267 5.290 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.673 6.078 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.963 5.242 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.423 6.957 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.360 6.235 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.423 3.689 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.393 4.656 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.348 3.856 1.030 1.00 0.00 H new ATOM 573 N LYS A 34 -2.243 9.644 1.403 1.00 0.00 N ATOM 574 CA LYS A 34 -3.237 10.694 1.559 1.00 0.00 C ATOM 575 C LYS A 34 -2.698 11.984 0.960 1.00 0.00 C ATOM 576 O LYS A 34 -3.445 12.804 0.432 1.00 0.00 O ATOM 577 CB LYS A 34 -3.566 10.889 3.037 1.00 0.00 C ATOM 578 CG LYS A 34 -4.718 11.846 3.294 1.00 0.00 C ATOM 579 CD LYS A 34 -4.928 12.074 4.780 1.00 0.00 C ATOM 580 CE LYS A 34 -6.069 13.043 5.045 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.232 13.321 6.496 1.00 0.00 N ATOM 0 H LYS A 34 -1.737 9.414 2.258 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.152 10.411 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.807 9.921 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.679 11.259 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.518 12.798 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.631 11.445 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.138 11.122 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.010 12.463 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.883 13.977 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.996 12.630 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.020 13.986 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.434 12.433 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.356 13.739 6.870 1.00 0.00 H new ATOM 595 N ASP A 35 -1.386 12.127 1.041 1.00 0.00 N ATOM 596 CA ASP A 35 -0.681 13.258 0.455 1.00 0.00 C ATOM 597 C ASP A 35 -0.892 13.332 -1.052 1.00 0.00 C ATOM 598 O ASP A 35 -0.983 14.415 -1.628 1.00 0.00 O ATOM 599 CB ASP A 35 0.812 13.139 0.756 1.00 0.00 C ATOM 600 CG ASP A 35 1.662 14.150 0.015 1.00 0.00 C ATOM 601 OD1 ASP A 35 2.348 13.761 -0.956 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.656 15.334 0.409 1.00 0.00 O ATOM 0 H ASP A 35 -0.777 11.461 1.516 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.082 14.170 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.969 13.261 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.148 12.135 0.497 1.00 0.00 H new ATOM 607 N LYS A 36 -0.972 12.174 -1.686 1.00 0.00 N ATOM 608 CA LYS A 36 -1.032 12.112 -3.135 1.00 0.00 C ATOM 609 C LYS A 36 -2.424 11.767 -3.659 1.00 0.00 C ATOM 610 O LYS A 36 -2.767 12.121 -4.786 1.00 0.00 O ATOM 611 CB LYS A 36 -0.001 11.115 -3.634 1.00 0.00 C ATOM 612 CG LYS A 36 1.408 11.632 -3.458 1.00 0.00 C ATOM 613 CD LYS A 36 2.424 10.553 -3.674 1.00 0.00 C ATOM 614 CE LYS A 36 3.829 11.050 -3.372 1.00 0.00 C ATOM 615 NZ LYS A 36 3.956 11.518 -1.967 1.00 0.00 N ATOM 0 H LYS A 36 -0.997 11.267 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.805 13.106 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.113 10.175 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.181 10.902 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.587 12.447 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.522 12.044 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.193 9.700 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.373 10.204 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.546 10.249 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.081 11.865 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.962 11.575 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.520 12.458 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.474 10.849 -1.333 1.00 0.00 H new ATOM 629 N TYR A 37 -3.226 11.087 -2.851 1.00 0.00 N ATOM 630 CA TYR A 37 -4.543 10.644 -3.301 1.00 0.00 C ATOM 631 C TYR A 37 -5.647 11.060 -2.336 1.00 0.00 C ATOM 632 O TYR A 37 -6.778 11.312 -2.748 1.00 0.00 O ATOM 633 CB TYR A 37 -4.561 9.123 -3.469 1.00 0.00 C ATOM 634 CG TYR A 37 -3.479 8.607 -4.382 1.00 0.00 C ATOM 635 CD1 TYR A 37 -3.650 8.613 -5.757 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.280 8.129 -3.867 1.00 0.00 C ATOM 637 CE1 TYR A 37 -2.658 8.160 -6.597 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.282 7.670 -4.698 1.00 0.00 C ATOM 639 CZ TYR A 37 -1.477 7.688 -6.066 1.00 0.00 C ATOM 640 OH TYR A 37 -0.485 7.254 -6.907 1.00 0.00 O ATOM 0 H TYR A 37 -2.994 10.831 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.734 11.126 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.453 8.656 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.532 8.820 -3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.576 8.979 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.128 8.117 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.804 8.174 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.356 7.299 -4.284 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.584 6.291 -7.061 1.00 0.00 H new ATOM 650 N GLY A 38 -5.318 11.136 -1.057 1.00 0.00 N ATOM 651 CA GLY A 38 -6.329 11.409 -0.051 1.00 0.00 C ATOM 652 C GLY A 38 -7.084 10.150 0.319 1.00 0.00 C ATOM 653 O GLY A 38 -8.289 10.041 0.089 1.00 0.00 O ATOM 0 H GLY A 38 -4.372 11.014 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.858 11.829 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.026 12.158 -0.426 1.00 0.00 H new ATOM 657 N VAL A 39 -6.364 9.190 0.881 1.00 0.00 N ATOM 658 CA VAL A 39 -6.918 7.881 1.168 1.00 0.00 C ATOM 659 C VAL A 39 -6.834 7.564 2.657 1.00 0.00 C ATOM 660 O VAL A 39 -5.955 8.066 3.362 1.00 0.00 O ATOM 661 CB VAL A 39 -6.147 6.801 0.386 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.750 5.428 0.597 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.101 7.134 -1.096 1.00 0.00 C ATOM 0 H VAL A 39 -5.386 9.298 1.148 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.965 7.888 0.865 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.127 6.785 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.182 4.690 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.718 5.176 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.785 5.429 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.551 6.357 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.117 7.192 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.602 8.093 -1.238 1.00 0.00 H new ATOM 673 N ASP A 40 -7.764 6.750 3.126 1.00 0.00 N ATOM 674 CA ASP A 40 -7.725 6.224 4.482 1.00 0.00 C ATOM 675 C ASP A 40 -7.384 4.743 4.431 1.00 0.00 C ATOM 676 O ASP A 40 -8.184 3.922 3.981 1.00 0.00 O ATOM 677 CB ASP A 40 -9.064 6.430 5.194 1.00 0.00 C ATOM 678 CG ASP A 40 -9.049 5.895 6.614 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.494 4.748 6.831 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.596 6.618 7.520 1.00 0.00 O ATOM 0 H ASP A 40 -8.566 6.435 2.580 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.962 6.762 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.304 7.493 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.853 5.934 4.629 1.00 0.00 H new ATOM 685 N THR A 41 -6.190 4.407 4.884 1.00 0.00 N ATOM 686 CA THR A 41 -5.675 3.052 4.768 1.00 0.00 C ATOM 687 C THR A 41 -6.370 2.081 5.720 1.00 0.00 C ATOM 688 O THR A 41 -6.204 0.863 5.615 1.00 0.00 O ATOM 689 CB THR A 41 -4.166 3.040 5.025 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.868 3.800 6.203 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.418 3.625 3.837 1.00 0.00 C ATOM 0 H THR A 41 -5.552 5.060 5.340 1.00 0.00 H new ATOM 0 HA THR A 41 -5.881 2.716 3.752 1.00 0.00 H new ATOM 0 HB THR A 41 -3.846 2.008 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.069 3.433 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.347 3.608 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.630 3.033 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.741 4.653 3.674 1.00 0.00 H new ATOM 699 N LYS A 42 -7.156 2.620 6.637 1.00 0.00 N ATOM 700 CA LYS A 42 -7.911 1.810 7.563 1.00 0.00 C ATOM 701 C LYS A 42 -9.147 1.240 6.872 1.00 0.00 C ATOM 702 O LYS A 42 -9.554 0.108 7.136 1.00 0.00 O ATOM 703 CB LYS A 42 -8.300 2.655 8.771 1.00 0.00 C ATOM 704 CG LYS A 42 -9.244 1.958 9.722 1.00 0.00 C ATOM 705 CD LYS A 42 -9.684 2.864 10.863 1.00 0.00 C ATOM 706 CE LYS A 42 -10.590 4.000 10.392 1.00 0.00 C ATOM 707 NZ LYS A 42 -9.854 5.061 9.648 1.00 0.00 N ATOM 0 H LYS A 42 -7.285 3.625 6.756 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.300 0.974 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.397 2.937 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.765 3.578 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.121 1.615 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.757 1.073 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.210 2.271 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.804 3.284 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.373 3.592 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.084 4.445 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.296 5.984 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.863 5.083 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.888 4.857 8.629 1.00 0.00 H new ATOM 721 N ASP A 43 -9.723 2.024 5.968 1.00 0.00 N ATOM 722 CA ASP A 43 -10.879 1.584 5.190 1.00 0.00 C ATOM 723 C ASP A 43 -10.428 0.608 4.114 1.00 0.00 C ATOM 724 O ASP A 43 -11.180 -0.274 3.695 1.00 0.00 O ATOM 725 CB ASP A 43 -11.585 2.785 4.552 1.00 0.00 C ATOM 726 CG ASP A 43 -12.807 2.389 3.743 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.888 2.205 4.343 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.697 2.273 2.503 1.00 0.00 O ATOM 0 H ASP A 43 -9.409 2.970 5.754 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.584 1.085 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.884 3.483 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.883 3.312 3.906 1.00 0.00 H new ATOM 733 N LEU A 44 -9.186 0.785 3.685 1.00 0.00 N ATOM 734 CA LEU A 44 -8.551 -0.096 2.715 1.00 0.00 C ATOM 735 C LEU A 44 -8.612 -1.551 3.162 1.00 0.00 C ATOM 736 O LEU A 44 -8.030 -1.923 4.181 1.00 0.00 O ATOM 737 CB LEU A 44 -7.092 0.316 2.530 1.00 0.00 C ATOM 738 CG LEU A 44 -6.755 1.000 1.205 1.00 0.00 C ATOM 739 CD1 LEU A 44 -7.738 2.120 0.908 1.00 0.00 C ATOM 740 CD2 LEU A 44 -5.330 1.527 1.241 1.00 0.00 C ATOM 0 H LEU A 44 -8.588 1.548 4.002 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.090 -0.006 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.818 0.988 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.468 -0.573 2.627 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.836 0.266 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.477 2.591 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.747 1.712 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.696 2.862 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.098 2.013 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.229 2.248 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.640 0.699 1.403 1.00 0.00 H new ATOM 752 N LYS A 45 -9.316 -2.364 2.395 1.00 0.00 N ATOM 753 CA LYS A 45 -9.435 -3.781 2.691 1.00 0.00 C ATOM 754 C LYS A 45 -8.267 -4.537 2.085 1.00 0.00 C ATOM 755 O LYS A 45 -8.179 -4.677 0.867 1.00 0.00 O ATOM 756 CB LYS A 45 -10.756 -4.323 2.143 1.00 0.00 C ATOM 757 CG LYS A 45 -10.868 -5.840 2.177 1.00 0.00 C ATOM 758 CD LYS A 45 -12.182 -6.321 1.580 1.00 0.00 C ATOM 759 CE LYS A 45 -13.307 -6.358 2.606 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.525 -5.046 3.273 1.00 0.00 N ATOM 0 H LYS A 45 -9.817 -2.065 1.558 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.421 -3.919 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.578 -3.896 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.877 -3.984 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.036 -6.279 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.787 -6.188 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.466 -5.665 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.044 -7.317 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.230 -6.668 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.079 -7.110 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.427 -5.065 3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.748 -4.862 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.552 -4.293 2.557 1.00 0.00 H new ATOM 774 N ILE A 46 -7.363 -5.007 2.924 1.00 0.00 N ATOM 775 CA ILE A 46 -6.191 -5.707 2.436 1.00 0.00 C ATOM 776 C ILE A 46 -6.519 -7.153 2.096 1.00 0.00 C ATOM 777 O ILE A 46 -6.997 -7.917 2.934 1.00 0.00 O ATOM 778 CB ILE A 46 -5.023 -5.651 3.435 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.677 -4.190 3.754 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.818 -6.378 2.858 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.464 -4.018 4.640 1.00 0.00 C ATOM 0 H ILE A 46 -7.417 -4.918 3.939 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.876 -5.193 1.528 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.315 -6.145 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.508 -3.656 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.535 -3.723 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.993 -6.336 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.079 -7.419 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.518 -5.901 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.290 -2.957 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.635 -4.520 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.592 -4.453 4.151 1.00 0.00 H new ATOM 793 N LEU A 47 -6.256 -7.508 0.850 1.00 0.00 N ATOM 794 CA LEU A 47 -6.571 -8.825 0.328 1.00 0.00 C ATOM 795 C LEU A 47 -5.346 -9.723 0.411 1.00 0.00 C ATOM 796 O LEU A 47 -5.393 -10.831 0.949 1.00 0.00 O ATOM 797 CB LEU A 47 -6.998 -8.698 -1.135 1.00 0.00 C ATOM 798 CG LEU A 47 -7.856 -7.473 -1.464 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.143 -7.413 -2.957 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.159 -7.493 -0.673 1.00 0.00 C ATOM 0 H LEU A 47 -5.816 -6.888 0.170 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.378 -9.260 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.103 -8.671 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.552 -9.594 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.299 -6.581 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.754 -6.537 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.204 -7.346 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.678 -8.313 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.751 -6.613 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.722 -8.392 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.937 -7.488 0.394 1.00 0.00 H new ATOM 812 N LYS A 48 -4.243 -9.219 -0.119 1.00 0.00 N ATOM 813 CA LYS A 48 -3.008 -9.962 -0.199 1.00 0.00 C ATOM 814 C LYS A 48 -1.827 -9.046 0.053 1.00 0.00 C ATOM 815 O LYS A 48 -1.480 -8.217 -0.787 1.00 0.00 O ATOM 816 CB LYS A 48 -2.852 -10.608 -1.576 1.00 0.00 C ATOM 817 CG LYS A 48 -1.560 -11.402 -1.715 1.00 0.00 C ATOM 818 CD LYS A 48 -1.802 -12.826 -2.187 1.00 0.00 C ATOM 819 CE LYS A 48 -2.357 -12.873 -3.599 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.536 -14.271 -4.068 1.00 0.00 N ATOM 0 H LYS A 48 -4.185 -8.277 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.037 -10.742 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.700 -11.268 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.880 -9.832 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.900 -10.896 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.045 -11.423 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.867 -13.385 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.497 -13.319 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.314 -12.352 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.683 -12.345 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.917 -14.266 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.618 -14.760 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.199 -14.766 -3.438 1.00 0.00 H new ATOM 834 N THR A 49 -1.232 -9.175 1.216 1.00 0.00 N ATOM 835 CA THR A 49 0.007 -8.492 1.498 1.00 0.00 C ATOM 836 C THR A 49 1.148 -9.408 1.112 1.00 0.00 C ATOM 837 O THR A 49 1.117 -10.583 1.430 1.00 0.00 O ATOM 838 CB THR A 49 0.132 -8.141 2.992 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.082 -7.545 3.457 1.00 0.00 O ATOM 840 CG2 THR A 49 1.292 -7.186 3.231 1.00 0.00 C ATOM 0 H THR A 49 -1.587 -9.747 1.982 1.00 0.00 H new ATOM 0 HA THR A 49 0.033 -7.562 0.930 1.00 0.00 H new ATOM 0 HB THR A 49 0.321 -9.062 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.874 -6.851 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.359 -6.954 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.221 -7.652 2.902 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.128 -6.267 2.668 1.00 0.00 H new ATOM 848 N SER A 50 2.117 -8.908 0.389 1.00 0.00 N ATOM 849 CA SER A 50 3.299 -9.689 0.080 1.00 0.00 C ATOM 850 C SER A 50 4.470 -8.758 -0.135 1.00 0.00 C ATOM 851 O SER A 50 4.343 -7.548 0.056 1.00 0.00 O ATOM 852 CB SER A 50 3.072 -10.561 -1.162 1.00 0.00 C ATOM 853 OG SER A 50 2.027 -11.493 -0.946 1.00 0.00 O ATOM 0 H SER A 50 2.116 -7.965 0.001 1.00 0.00 H new ATOM 0 HA SER A 50 3.512 -10.354 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.828 -9.928 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.991 -11.091 -1.411 1.00 0.00 H new ATOM 0 HG SER A 50 1.677 -11.388 -0.037 1.00 0.00 H new ATOM 859 N GLU A 51 5.601 -9.309 -0.523 1.00 0.00 N ATOM 860 CA GLU A 51 6.774 -8.502 -0.744 1.00 0.00 C ATOM 861 C GLU A 51 7.664 -9.097 -1.816 1.00 0.00 C ATOM 862 O GLU A 51 7.595 -10.288 -2.130 1.00 0.00 O ATOM 863 CB GLU A 51 7.586 -8.359 0.542 1.00 0.00 C ATOM 864 CG GLU A 51 8.205 -9.666 1.005 1.00 0.00 C ATOM 865 CD GLU A 51 9.254 -9.475 2.077 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.549 -10.451 2.795 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.797 -8.355 2.188 1.00 0.00 O ATOM 0 H GLU A 51 5.729 -10.307 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 51 6.426 -7.522 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.377 -7.625 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.941 -7.970 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.420 -10.319 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.654 -10.172 0.150 1.00 0.00 H new ATOM 874 N ASP A 52 8.477 -8.234 -2.366 1.00 0.00 N ATOM 875 CA ASP A 52 9.598 -8.614 -3.192 1.00 0.00 C ATOM 876 C ASP A 52 10.839 -8.249 -2.388 1.00 0.00 C ATOM 877 O ASP A 52 10.733 -7.994 -1.187 1.00 0.00 O ATOM 878 CB ASP A 52 9.540 -7.862 -4.536 1.00 0.00 C ATOM 879 CG ASP A 52 10.656 -8.238 -5.494 1.00 0.00 C ATOM 880 OD1 ASP A 52 11.641 -7.475 -5.582 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.568 -9.305 -6.137 1.00 0.00 O ATOM 0 H ASP A 52 8.378 -7.225 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 52 9.597 -9.676 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.581 -8.062 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.583 -6.790 -4.345 1.00 0.00 H new ATOM 886 N LYS A 53 11.996 -8.203 -2.999 1.00 0.00 N ATOM 887 CA LYS A 53 13.172 -7.751 -2.295 1.00 0.00 C ATOM 888 C LYS A 53 13.085 -6.238 -2.164 1.00 0.00 C ATOM 889 O LYS A 53 12.954 -5.698 -1.072 1.00 0.00 O ATOM 890 CB LYS A 53 14.461 -8.155 -3.029 1.00 0.00 C ATOM 891 CG LYS A 53 14.449 -9.577 -3.573 1.00 0.00 C ATOM 892 CD LYS A 53 13.772 -9.631 -4.932 1.00 0.00 C ATOM 893 CE LYS A 53 13.378 -11.040 -5.329 1.00 0.00 C ATOM 894 NZ LYS A 53 12.575 -11.034 -6.580 1.00 0.00 N ATOM 0 H LYS A 53 12.150 -8.469 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 53 13.210 -8.219 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.628 -7.463 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.304 -8.046 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.471 -9.948 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.928 -10.233 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.884 -8.999 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.443 -9.219 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.273 -11.646 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.804 -11.501 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.040 -11.923 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.913 -10.232 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.209 -10.943 -7.399 1.00 0.00 H new ATOM 908 N ARG A 54 13.029 -5.575 -3.303 1.00 0.00 N ATOM 909 CA ARG A 54 13.095 -4.121 -3.360 1.00 0.00 C ATOM 910 C ARG A 54 11.727 -3.486 -3.113 1.00 0.00 C ATOM 911 O ARG A 54 11.594 -2.262 -3.110 1.00 0.00 O ATOM 912 CB ARG A 54 13.603 -3.703 -4.739 1.00 0.00 C ATOM 913 CG ARG A 54 14.845 -4.459 -5.181 1.00 0.00 C ATOM 914 CD ARG A 54 15.013 -4.419 -6.692 1.00 0.00 C ATOM 915 NE ARG A 54 15.222 -3.064 -7.193 1.00 0.00 N ATOM 916 CZ ARG A 54 14.836 -2.649 -8.398 1.00 0.00 C ATOM 917 NH1 ARG A 54 14.182 -3.470 -9.213 1.00 0.00 N ATOM 918 NH2 ARG A 54 15.099 -1.411 -8.785 1.00 0.00 N ATOM 0 H ARG A 54 12.937 -6.024 -4.214 1.00 0.00 H new ATOM 0 HA ARG A 54 13.772 -3.777 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.812 -3.860 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.821 -2.635 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.725 -4.026 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.779 -5.495 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.860 -5.044 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.128 -4.846 -7.165 1.00 0.00 H new ATOM 0 HE ARG A 54 15.692 -2.395 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.973 -4.423 -8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.889 -3.147 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.597 -0.776 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.804 -1.092 -9.708 1.00 0.00 H new ATOM 932 N PHE A 55 10.709 -4.311 -2.892 1.00 0.00 N ATOM 933 CA PHE A 55 9.328 -3.813 -2.895 1.00 0.00 C ATOM 934 C PHE A 55 8.431 -4.584 -1.934 1.00 0.00 C ATOM 935 O PHE A 55 8.742 -5.699 -1.530 1.00 0.00 O ATOM 936 CB PHE A 55 8.699 -3.928 -4.297 1.00 0.00 C ATOM 937 CG PHE A 55 9.548 -3.426 -5.431 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.300 -4.308 -6.190 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.589 -2.077 -5.744 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.078 -3.854 -7.236 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.366 -1.618 -6.790 1.00 0.00 C ATOM 942 CZ PHE A 55 11.111 -2.507 -7.537 1.00 0.00 C ATOM 0 H PHE A 55 10.805 -5.310 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 55 9.392 -2.771 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.457 -4.975 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.758 -3.378 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.277 -5.363 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.007 -1.376 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.661 -4.552 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.390 -0.564 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.719 -2.150 -8.355 1.00 0.00 H new ATOM 952 N TYR A 56 7.324 -3.958 -1.568 1.00 0.00 N ATOM 953 CA TYR A 56 6.193 -4.648 -0.961 1.00 0.00 C ATOM 954 C TYR A 56 5.054 -4.680 -1.967 1.00 0.00 C ATOM 955 O TYR A 56 5.041 -3.889 -2.904 1.00 0.00 O ATOM 956 CB TYR A 56 5.716 -3.942 0.311 1.00 0.00 C ATOM 957 CG TYR A 56 6.533 -4.245 1.542 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.457 -5.488 2.156 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.364 -3.287 2.101 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.190 -5.770 3.292 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.102 -3.562 3.236 1.00 0.00 C ATOM 962 CZ TYR A 56 8.013 -4.803 3.827 1.00 0.00 C ATOM 963 OH TYR A 56 8.749 -5.077 4.957 1.00 0.00 O ATOM 0 H TYR A 56 7.182 -2.954 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 56 6.507 -5.655 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.728 -2.866 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.680 -4.224 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.813 -6.248 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.436 -2.312 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.119 -6.742 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.747 -2.806 3.659 1.00 0.00 H new ATOM 0 HH TYR A 56 8.318 -5.799 5.461 1.00 0.00 H new ATOM 973 N TYR A 57 4.113 -5.589 -1.785 1.00 0.00 N ATOM 974 CA TYR A 57 2.940 -5.654 -2.648 1.00 0.00 C ATOM 975 C TYR A 57 1.689 -5.885 -1.816 1.00 0.00 C ATOM 976 O TYR A 57 1.354 -7.019 -1.480 1.00 0.00 O ATOM 977 CB TYR A 57 3.082 -6.760 -3.702 1.00 0.00 C ATOM 978 CG TYR A 57 4.165 -6.489 -4.721 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.928 -5.649 -5.800 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.422 -7.067 -4.602 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.914 -5.388 -6.730 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.412 -6.813 -5.531 1.00 0.00 C ATOM 983 CZ TYR A 57 6.153 -5.971 -6.591 1.00 0.00 C ATOM 984 OH TYR A 57 7.137 -5.706 -7.515 1.00 0.00 O ATOM 0 H TYR A 57 4.135 -6.294 -1.048 1.00 0.00 H new ATOM 0 HA TYR A 57 2.855 -4.700 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.295 -7.704 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.130 -6.882 -4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.956 -5.192 -5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.629 -7.725 -3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.714 -4.730 -7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.384 -7.272 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 57 7.935 -5.371 -7.056 1.00 0.00 H new ATOM 994 N VAL A 58 1.020 -4.803 -1.453 1.00 0.00 N ATOM 995 CA VAL A 58 -0.185 -4.894 -0.645 1.00 0.00 C ATOM 996 C VAL A 58 -1.427 -4.707 -1.511 1.00 0.00 C ATOM 997 O VAL A 58 -1.826 -3.581 -1.805 1.00 0.00 O ATOM 998 CB VAL A 58 -0.191 -3.847 0.491 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.310 -4.132 1.479 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.155 -3.811 1.198 1.00 0.00 C ATOM 0 H VAL A 58 1.291 -3.852 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.198 -5.888 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.369 -2.867 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.296 -3.383 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.269 -4.096 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.169 -5.122 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.128 -3.067 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.368 -4.791 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.935 -3.549 0.483 1.00 0.00 H new ATOM 1010 N SER A 59 -2.019 -5.811 -1.936 1.00 0.00 N ATOM 1011 CA SER A 59 -3.225 -5.763 -2.749 1.00 0.00 C ATOM 1012 C SER A 59 -4.427 -5.485 -1.860 1.00 0.00 C ATOM 1013 O SER A 59 -4.666 -6.207 -0.891 1.00 0.00 O ATOM 1014 CB SER A 59 -3.412 -7.082 -3.494 1.00 0.00 C ATOM 1015 OG SER A 59 -2.215 -7.460 -4.158 1.00 0.00 O ATOM 0 H SER A 59 -1.684 -6.753 -1.732 1.00 0.00 H new ATOM 0 HA SER A 59 -3.131 -4.963 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.706 -7.863 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.220 -6.984 -4.219 1.00 0.00 H new ATOM 0 HG SER A 59 -2.355 -8.308 -4.628 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.172 -4.435 -2.180 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.266 -3.982 -1.334 1.00 0.00 C ATOM 1023 C VAL A 60 -7.457 -3.514 -2.162 1.00 0.00 C ATOM 1024 O VAL A 60 -7.328 -3.213 -3.348 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.830 -2.808 -0.422 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.612 -3.179 0.402 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.554 -1.559 -1.245 1.00 0.00 C ATOM 0 H VAL A 60 -5.037 -3.879 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.552 -4.839 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.651 -2.596 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.329 -2.336 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.845 -4.039 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.785 -3.429 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.249 -0.748 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.757 -1.763 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.458 -1.270 -1.782 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.612 -3.467 -1.522 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.777 -2.808 -2.089 1.00 0.00 C ATOM 1039 C ASP A 61 -9.803 -1.365 -1.613 1.00 0.00 C ATOM 1040 O ASP A 61 -9.757 -1.102 -0.408 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.072 -3.518 -1.681 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.304 -2.667 -1.943 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.524 -2.265 -3.104 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.054 -2.395 -0.984 1.00 0.00 O ATOM 0 H ASP A 61 -8.769 -3.880 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.709 -2.845 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.158 -4.456 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.027 -3.771 -0.622 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.866 -0.435 -2.552 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.803 0.981 -2.220 1.00 0.00 C ATOM 1051 C ALA A 62 -11.151 1.496 -1.724 1.00 0.00 C ATOM 1052 O ALA A 62 -11.237 2.586 -1.160 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.332 1.782 -3.421 1.00 0.00 C ATOM 0 H ALA A 62 -9.960 -0.633 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.084 1.107 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.289 2.839 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.340 1.442 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.028 1.641 -4.248 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.199 0.711 -1.936 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.523 1.110 -1.497 1.00 0.00 C ATOM 1061 C GLY A 63 -14.339 1.711 -2.617 1.00 0.00 C ATOM 1062 O GLY A 63 -15.558 1.558 -2.666 1.00 0.00 O ATOM 0 H GLY A 63 -12.157 -0.194 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.046 0.243 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.432 1.834 -0.687 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.655 2.376 -3.535 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.303 3.013 -4.681 1.00 0.00 C ATOM 1068 C ASP A 64 -14.647 1.992 -5.758 1.00 0.00 C ATOM 1069 O ASP A 64 -15.038 2.353 -6.865 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.394 4.088 -5.277 1.00 0.00 C ATOM 1071 CG ASP A 64 -13.274 5.310 -4.393 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -12.471 5.286 -3.439 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -13.975 6.309 -4.660 1.00 0.00 O ATOM 0 H ASP A 64 -12.642 2.492 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.226 3.471 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.402 3.667 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.782 4.386 -6.251 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.489 0.718 -5.430 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.765 -0.335 -6.383 1.00 0.00 C ATOM 1080 C GLY A 65 -13.521 -0.743 -7.138 1.00 0.00 C ATOM 1081 O GLY A 65 -13.487 -1.790 -7.783 1.00 0.00 O ATOM 0 H GLY A 65 -14.173 0.394 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.175 -1.200 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.525 0.002 -7.088 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.498 0.092 -7.055 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.232 -0.189 -7.698 1.00 0.00 C ATOM 1087 C GLU A 66 -10.369 -1.080 -6.821 1.00 0.00 C ATOM 1088 O GLU A 66 -10.351 -0.944 -5.593 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.491 1.108 -8.012 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.359 2.015 -6.810 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.631 3.305 -7.116 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.416 3.386 -6.843 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.272 4.247 -7.621 1.00 0.00 O ATOM 0 H GLU A 66 -12.524 0.975 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.437 -0.713 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.498 0.870 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.018 1.639 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.353 2.248 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.829 1.485 -6.019 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.660 -1.990 -7.458 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.748 -2.865 -6.755 1.00 0.00 C ATOM 1102 C LYS A 67 -7.349 -2.293 -6.870 1.00 0.00 C ATOM 1103 O LYS A 67 -6.931 -1.872 -7.948 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.779 -4.277 -7.336 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.132 -5.315 -6.432 1.00 0.00 C ATOM 1106 CD LYS A 67 -7.765 -6.576 -7.197 1.00 0.00 C ATOM 1107 CE LYS A 67 -8.927 -7.102 -8.021 1.00 0.00 C ATOM 1108 NZ LYS A 67 -8.539 -8.293 -8.818 1.00 0.00 N ATOM 0 H LYS A 67 -9.699 -2.142 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.050 -2.929 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.814 -4.563 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.270 -4.277 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.237 -4.893 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.815 -5.567 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.920 -6.368 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.442 -7.344 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.755 -7.360 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.284 -6.318 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.357 -8.624 -9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.766 -8.040 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.222 -9.050 -8.179 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.628 -2.266 -5.777 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.330 -1.635 -5.765 1.00 0.00 C ATOM 1124 C CYS A 68 -4.281 -2.586 -5.239 1.00 0.00 C ATOM 1125 O CYS A 68 -4.594 -3.622 -4.658 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.391 -0.358 -4.923 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.013 0.802 -5.183 1.00 0.00 S ATOM 0 H CYS A 68 -6.916 -2.672 -4.886 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.050 -1.369 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.326 0.158 -5.140 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.418 -0.636 -3.870 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.040 -2.237 -5.475 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.919 -3.024 -5.021 1.00 0.00 C ATOM 1134 C LYS A 69 -0.781 -2.089 -4.710 1.00 0.00 C ATOM 1135 O LYS A 69 -0.146 -1.557 -5.619 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.483 -4.043 -6.074 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.175 -4.727 -5.719 1.00 0.00 C ATOM 1138 CD LYS A 69 0.246 -5.751 -6.760 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.838 -6.787 -7.008 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.395 -7.835 -7.964 1.00 0.00 N ATOM 0 H LYS A 69 -2.778 -1.396 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.214 -3.582 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.263 -4.796 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.377 -3.543 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.608 -3.976 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.276 -5.218 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.482 -5.242 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.157 -6.251 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.118 -7.253 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.729 -6.294 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.225 -8.346 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.113 -7.391 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.237 -8.503 -7.478 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.556 -1.858 -3.437 1.00 0.00 N ATOM 1155 CA PHE A 70 0.489 -0.958 -3.018 1.00 0.00 C ATOM 1156 C PHE A 70 1.840 -1.627 -3.127 1.00 0.00 C ATOM 1157 O PHE A 70 2.310 -2.288 -2.198 1.00 0.00 O ATOM 1158 CB PHE A 70 0.230 -0.439 -1.606 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.880 0.568 -1.570 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.626 1.904 -1.836 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.176 0.178 -1.288 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.648 2.832 -1.818 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.199 1.102 -1.266 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.936 2.432 -1.532 1.00 0.00 C ATOM 0 H PHE A 70 -1.084 -2.282 -2.674 1.00 0.00 H new ATOM 0 HA PHE A 70 0.490 -0.096 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.019 -1.275 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.141 0.012 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.381 2.222 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.389 -0.861 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.439 3.871 -2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.207 0.786 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.737 3.156 -1.516 1.00 0.00 H new ATOM 1174 N LYS A 71 2.417 -1.501 -4.309 1.00 0.00 N ATOM 1175 CA LYS A 71 3.786 -1.893 -4.549 1.00 0.00 C ATOM 1176 C LYS A 71 4.689 -0.889 -3.852 1.00 0.00 C ATOM 1177 O LYS A 71 5.216 0.050 -4.455 1.00 0.00 O ATOM 1178 CB LYS A 71 4.040 -1.966 -6.060 1.00 0.00 C ATOM 1179 CG LYS A 71 5.499 -1.981 -6.496 1.00 0.00 C ATOM 1180 CD LYS A 71 5.585 -1.721 -7.992 1.00 0.00 C ATOM 1181 CE LYS A 71 7.003 -1.865 -8.526 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.417 -3.288 -8.657 1.00 0.00 N ATOM 0 H LYS A 71 1.944 -1.122 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 71 3.997 -2.883 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.558 -2.864 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.550 -1.114 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.060 -1.221 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.951 -2.944 -6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.930 -2.416 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.220 -0.716 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.074 -1.378 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.694 -1.348 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.433 -3.374 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.879 -3.870 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.229 -3.617 -9.626 1.00 0.00 H new ATOM 1196 N ILE A 72 4.800 -1.055 -2.552 1.00 0.00 N ATOM 1197 CA ILE A 72 5.552 -0.136 -1.738 1.00 0.00 C ATOM 1198 C ILE A 72 7.024 -0.366 -1.960 1.00 0.00 C ATOM 1199 O ILE A 72 7.612 -1.286 -1.393 1.00 0.00 O ATOM 1200 CB ILE A 72 5.214 -0.281 -0.240 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.724 -0.014 -0.011 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.060 0.677 0.590 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.231 -0.430 1.360 1.00 0.00 C ATOM 0 H ILE A 72 4.374 -1.825 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 72 5.282 0.878 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 72 5.440 -1.300 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.530 1.050 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.149 -0.544 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.810 0.563 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.116 0.452 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.860 1.702 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.167 -0.209 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.392 -1.500 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.779 0.119 2.126 1.00 0.00 H new ATOM 1215 N ARG A 73 7.595 0.426 -2.848 1.00 0.00 N ATOM 1216 CA ARG A 73 9.018 0.383 -3.074 1.00 0.00 C ATOM 1217 C ARG A 73 9.711 0.760 -1.790 1.00 0.00 C ATOM 1218 O ARG A 73 9.739 1.933 -1.415 1.00 0.00 O ATOM 1219 CB ARG A 73 9.424 1.325 -4.204 1.00 0.00 C ATOM 1220 CG ARG A 73 10.876 1.183 -4.628 1.00 0.00 C ATOM 1221 CD ARG A 73 11.117 1.806 -5.989 1.00 0.00 C ATOM 1222 NE ARG A 73 10.821 3.238 -6.002 1.00 0.00 N ATOM 1223 CZ ARG A 73 11.105 4.042 -7.027 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.743 3.567 -8.091 1.00 0.00 N ATOM 1225 NH2 ARG A 73 10.769 5.323 -6.979 1.00 0.00 N ATOM 0 H ARG A 73 7.092 1.104 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 73 9.311 -0.623 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.784 1.140 -5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.246 2.353 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.521 1.658 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.147 0.128 -4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.156 1.649 -6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.498 1.302 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 73 10.372 3.644 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.017 2.585 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.959 4.184 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.293 5.695 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.987 5.937 -7.764 1.00 0.00 H new ATOM 1239 N LYS A 74 10.200 -0.257 -1.099 1.00 0.00 N ATOM 1240 CA LYS A 74 10.890 -0.081 0.168 1.00 0.00 C ATOM 1241 C LYS A 74 11.940 1.009 0.032 1.00 0.00 C ATOM 1242 O LYS A 74 12.439 1.251 -1.071 1.00 0.00 O ATOM 1243 CB LYS A 74 11.546 -1.400 0.586 1.00 0.00 C ATOM 1244 CG LYS A 74 10.562 -2.552 0.729 1.00 0.00 C ATOM 1245 CD LYS A 74 11.278 -3.886 0.871 1.00 0.00 C ATOM 1246 CE LYS A 74 10.300 -5.035 1.070 1.00 0.00 C ATOM 1247 NZ LYS A 74 10.970 -6.361 1.030 1.00 0.00 N ATOM 0 H LYS A 74 10.129 -1.229 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 74 10.173 0.214 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.303 -1.669 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.062 -1.255 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.928 -2.384 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.906 -2.581 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.880 -4.072 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.964 -3.842 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.793 -4.916 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.533 -4.995 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.397 -7.055 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.072 -6.669 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.910 -6.288 1.469 1.00 0.00 H new ATOM 1261 N ASP A 75 12.258 1.687 1.128 1.00 0.00 N ATOM 1262 CA ASP A 75 13.252 2.752 1.085 1.00 0.00 C ATOM 1263 C ASP A 75 14.635 2.151 0.848 1.00 0.00 C ATOM 1264 O ASP A 75 15.466 2.083 1.749 1.00 0.00 O ATOM 1265 CB ASP A 75 13.237 3.579 2.370 1.00 0.00 C ATOM 1266 CG ASP A 75 13.958 4.909 2.229 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.937 4.991 1.459 1.00 0.00 O ATOM 1268 OD2 ASP A 75 13.556 5.875 2.910 1.00 0.00 O ATOM 0 H ASP A 75 11.848 1.521 2.047 1.00 0.00 H new ATOM 0 HA ASP A 75 13.006 3.423 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.204 3.762 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.701 3.004 3.171 1.00 0.00 H new ATOM 1273 N VAL A 76 14.841 1.663 -0.362 1.00 0.00 N ATOM 1274 CA VAL A 76 16.088 1.035 -0.754 1.00 0.00 C ATOM 1275 C VAL A 76 17.043 2.081 -1.300 1.00 0.00 C ATOM 1276 O VAL A 76 18.202 1.795 -1.610 1.00 0.00 O ATOM 1277 CB VAL A 76 15.857 -0.033 -1.849 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.977 -1.160 -1.336 1.00 0.00 C ATOM 1279 CG2 VAL A 76 15.244 0.589 -3.098 1.00 0.00 C ATOM 0 H VAL A 76 14.142 1.692 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 76 16.509 0.556 0.130 1.00 0.00 H new ATOM 0 HB VAL A 76 16.829 -0.450 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.831 -1.896 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.457 -1.636 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.011 -0.758 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.092 -0.183 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.286 1.043 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.915 1.353 -3.491 1.00 0.00 H new ATOM 1289 N ASP A 77 16.531 3.296 -1.392 1.00 0.00 N ATOM 1290 CA ASP A 77 17.197 4.388 -2.092 1.00 0.00 C ATOM 1291 C ASP A 77 16.328 5.637 -2.041 1.00 0.00 C ATOM 1292 O ASP A 77 16.826 6.753 -1.899 1.00 0.00 O ATOM 1293 CB ASP A 77 17.458 4.000 -3.552 1.00 0.00 C ATOM 1294 CG ASP A 77 18.128 5.100 -4.346 1.00 0.00 C ATOM 1295 OD1 ASP A 77 17.413 5.917 -4.955 1.00 0.00 O ATOM 1296 OD2 ASP A 77 19.376 5.139 -4.384 1.00 0.00 O ATOM 0 H ASP A 77 15.635 3.558 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 77 18.151 4.590 -1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.084 3.108 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.512 3.741 -4.028 1.00 0.00 H new ATOM 1301 N VAL A 78 15.020 5.432 -2.161 1.00 0.00 N ATOM 1302 CA VAL A 78 14.057 6.522 -2.092 1.00 0.00 C ATOM 1303 C VAL A 78 12.854 6.113 -1.251 1.00 0.00 C ATOM 1304 O VAL A 78 12.362 4.986 -1.344 1.00 0.00 O ATOM 1305 CB VAL A 78 13.571 6.956 -3.496 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.944 5.782 -4.215 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.576 8.107 -3.417 1.00 0.00 C ATOM 0 H VAL A 78 14.602 4.513 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 78 14.565 7.368 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 78 14.441 7.303 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.605 6.098 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.680 4.985 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.094 5.415 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.258 8.383 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.708 7.798 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.049 8.964 -2.938 1.00 0.00 H new ATOM 1317 N PRO A 79 12.382 7.030 -0.415 1.00 0.00 N ATOM 1318 CA PRO A 79 11.200 6.834 0.405 1.00 0.00 C ATOM 1319 C PRO A 79 9.899 7.121 -0.349 1.00 0.00 C ATOM 1320 O PRO A 79 9.152 8.028 0.016 1.00 0.00 O ATOM 1321 CB PRO A 79 11.406 7.864 1.508 1.00 0.00 C ATOM 1322 CG PRO A 79 12.094 8.986 0.829 1.00 0.00 C ATOM 1323 CD PRO A 79 12.994 8.346 -0.190 1.00 0.00 C ATOM 0 HA PRO A 79 11.097 5.805 0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.457 8.181 1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.008 7.461 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.377 9.656 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.667 9.583 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.038 8.930 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.016 8.255 0.179 1.00 0.00 H new ATOM 1331 N LYS A 80 9.622 6.353 -1.392 1.00 0.00 N ATOM 1332 CA LYS A 80 8.379 6.518 -2.132 1.00 0.00 C ATOM 1333 C LYS A 80 7.853 5.184 -2.642 1.00 0.00 C ATOM 1334 O LYS A 80 8.577 4.418 -3.283 1.00 0.00 O ATOM 1335 CB LYS A 80 8.546 7.494 -3.301 1.00 0.00 C ATOM 1336 CG LYS A 80 7.903 8.849 -3.045 1.00 0.00 C ATOM 1337 CD LYS A 80 7.861 9.707 -4.302 1.00 0.00 C ATOM 1338 CE LYS A 80 9.232 10.247 -4.674 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.703 11.279 -3.712 1.00 0.00 N ATOM 0 H LYS A 80 10.234 5.616 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 80 7.651 6.934 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.608 7.635 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.109 7.055 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.890 8.704 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.458 9.373 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.468 9.117 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.174 10.539 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.949 9.426 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.194 10.675 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.525 11.776 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.939 11.962 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.975 10.822 -2.818 1.00 0.00 H new ATOM 1353 N MET A 81 6.587 4.924 -2.342 1.00 0.00 N ATOM 1354 CA MET A 81 5.908 3.719 -2.804 1.00 0.00 C ATOM 1355 C MET A 81 5.675 3.822 -4.305 1.00 0.00 C ATOM 1356 O MET A 81 4.707 4.440 -4.745 1.00 0.00 O ATOM 1357 CB MET A 81 4.556 3.531 -2.094 1.00 0.00 C ATOM 1358 CG MET A 81 4.556 3.877 -0.611 1.00 0.00 C ATOM 1359 SD MET A 81 4.580 5.657 -0.306 1.00 0.00 S ATOM 1360 CE MET A 81 3.080 6.158 -1.155 1.00 0.00 C ATOM 0 H MET A 81 6.004 5.539 -1.774 1.00 0.00 H new ATOM 0 HA MET A 81 6.538 2.860 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.810 4.147 -2.596 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.243 2.493 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.672 3.445 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.424 3.420 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.611 6.979 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.326 6.485 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.391 5.315 -1.204 1.00 0.00 H new ATOM 1370 N VAL A 82 6.579 3.244 -5.084 1.00 0.00 N ATOM 1371 CA VAL A 82 6.519 3.364 -6.536 1.00 0.00 C ATOM 1372 C VAL A 82 5.222 2.783 -7.098 1.00 0.00 C ATOM 1373 O VAL A 82 4.585 3.388 -7.954 1.00 0.00 O ATOM 1374 CB VAL A 82 7.736 2.690 -7.220 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.667 1.169 -7.137 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.850 3.146 -8.664 1.00 0.00 C ATOM 0 H VAL A 82 7.361 2.689 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 82 6.546 4.431 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 82 8.631 3.001 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.539 0.738 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.651 0.862 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.761 0.818 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.709 2.664 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.943 2.874 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.980 4.228 -8.695 1.00 0.00 H new ATOM 1386 N GLY A 83 4.806 1.644 -6.567 1.00 0.00 N ATOM 1387 CA GLY A 83 3.675 0.939 -7.120 1.00 0.00 C ATOM 1388 C GLY A 83 2.371 1.363 -6.513 1.00 0.00 C ATOM 1389 O GLY A 83 1.547 0.539 -6.127 1.00 0.00 O ATOM 0 H GLY A 83 5.236 1.195 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.640 1.105 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.810 -0.132 -6.967 1.00 0.00 H new ATOM 1393 N ARG A 84 2.196 2.653 -6.440 1.00 0.00 N ATOM 1394 CA ARG A 84 0.944 3.253 -6.020 1.00 0.00 C ATOM 1395 C ARG A 84 -0.006 3.282 -7.213 1.00 0.00 C ATOM 1396 O ARG A 84 -0.681 4.275 -7.468 1.00 0.00 O ATOM 1397 CB ARG A 84 1.223 4.669 -5.516 1.00 0.00 C ATOM 1398 CG ARG A 84 2.093 5.467 -6.477 1.00 0.00 C ATOM 1399 CD ARG A 84 2.399 6.858 -5.959 1.00 0.00 C ATOM 1400 NE ARG A 84 3.230 7.603 -6.906 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.905 8.793 -7.405 1.00 0.00 C ATOM 1402 NH1 ARG A 84 1.767 9.372 -7.047 1.00 0.00 N ATOM 1403 NH2 ARG A 84 3.703 9.391 -8.280 1.00 0.00 N ATOM 0 H ARG A 84 2.922 3.331 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 84 0.486 2.677 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.278 5.191 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.714 4.616 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.027 4.932 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.589 5.544 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.468 7.397 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.911 6.787 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 84 4.112 7.184 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.142 8.905 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.517 10.284 -7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.569 8.939 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.450 10.303 -8.660 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.077 2.164 -7.926 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.687 2.159 -9.246 1.00 0.00 C ATOM 1419 C LYS A 85 -2.056 1.518 -9.203 1.00 0.00 C ATOM 1420 O LYS A 85 -2.920 1.823 -10.028 1.00 0.00 O ATOM 1421 CB LYS A 85 0.185 1.397 -10.243 1.00 0.00 C ATOM 1422 CG LYS A 85 0.115 1.989 -11.641 1.00 0.00 C ATOM 1423 CD LYS A 85 0.913 1.185 -12.650 1.00 0.00 C ATOM 1424 CE LYS A 85 0.302 -0.182 -12.904 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.063 -0.938 -13.934 1.00 0.00 N ATOM 0 H LYS A 85 0.277 1.259 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.783 3.196 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.219 1.406 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.131 0.354 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.926 2.037 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.489 3.013 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.970 1.736 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.934 1.064 -12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.282 -0.751 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.732 -0.065 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.410 -1.536 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.538 -0.270 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.775 -1.537 -13.469 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.237 0.635 -8.230 1.00 0.00 N ATOM 1440 CA CYS A 86 -3.418 -0.210 -8.153 1.00 0.00 C ATOM 1441 C CYS A 86 -3.435 -1.182 -9.319 1.00 0.00 C ATOM 1442 O CYS A 86 -2.506 -1.200 -10.132 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.696 0.629 -8.103 1.00 0.00 C ATOM 1444 SG CYS A 86 -4.651 1.878 -6.781 1.00 0.00 S ATOM 0 H CYS A 86 -1.569 0.485 -7.473 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.377 -0.784 -7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.840 1.124 -9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.553 -0.027 -7.951 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.467 -2.000 -9.390 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.521 -3.061 -10.358 1.00 0.00 C ATOM 1451 C ARG A 87 -5.855 -3.775 -10.245 1.00 0.00 C ATOM 1452 O ARG A 87 -5.971 -4.829 -9.617 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.358 -4.014 -10.121 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.301 -5.148 -11.104 1.00 0.00 C ATOM 1455 CD ARG A 87 -2.007 -5.917 -10.964 1.00 0.00 C ATOM 1456 NE ARG A 87 -2.081 -7.224 -11.612 1.00 0.00 N ATOM 1457 CZ ARG A 87 -1.046 -8.047 -11.763 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.175 -7.652 -11.429 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -1.228 -9.261 -12.273 1.00 0.00 N ATOM 0 H ARG A 87 -5.283 -1.943 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.434 -2.660 -11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.424 -3.454 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.432 -4.421 -9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.146 -5.817 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.391 -4.760 -12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.192 -5.340 -11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.774 -6.048 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.986 -7.526 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.323 -6.715 -11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.966 -8.285 -11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.162 -9.563 -12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.433 -9.890 -12.388 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.871 -3.159 -10.818 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.228 -3.648 -10.692 1.00 0.00 C ATOM 1475 C LYS A 88 -8.494 -4.771 -11.685 1.00 0.00 C ATOM 1476 O LYS A 88 -8.828 -5.889 -11.294 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.213 -2.497 -10.903 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.650 -2.854 -10.570 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.611 -1.735 -10.945 1.00 0.00 C ATOM 1480 CE LYS A 88 -11.557 -1.421 -12.432 1.00 0.00 C ATOM 1481 NZ LYS A 88 -12.061 -2.544 -13.269 1.00 0.00 N ATOM 0 H LYS A 88 -6.779 -2.312 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.364 -4.051 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.906 -1.651 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.160 -2.171 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.930 -3.766 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.735 -3.064 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.626 -2.020 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.366 -0.839 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.148 -0.528 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.529 -1.193 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.718 -2.431 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.716 -3.446 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.101 -2.540 -13.265 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.330 -4.476 -12.966 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.591 -5.461 -14.008 1.00 0.00 C ATOM 1497 C ASP A 89 -7.354 -5.639 -14.874 1.00 0.00 C ATOM 1498 O ASP A 89 -7.366 -6.363 -15.870 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.774 -5.016 -14.867 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.586 -6.184 -15.380 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -11.363 -6.753 -14.586 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -10.468 -6.528 -16.571 1.00 0.00 O ATOM 0 H ASP A 89 -8.019 -3.567 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.836 -6.415 -13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.417 -4.359 -14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.407 -4.433 -15.712 1.00 0.00 H new ATOM 1507 N ASP A 90 -6.284 -4.973 -14.463 1.00 0.00 N ATOM 1508 CA ASP A 90 -5.027 -4.973 -15.199 1.00 0.00 C ATOM 1509 C ASP A 90 -4.393 -6.357 -15.191 1.00 0.00 C ATOM 1510 O ASP A 90 -4.739 -7.208 -14.368 1.00 0.00 O ATOM 1511 CB ASP A 90 -4.061 -3.957 -14.580 1.00 0.00 C ATOM 1512 CG ASP A 90 -4.637 -2.555 -14.546 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -4.162 -1.691 -15.313 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -5.580 -2.314 -13.757 1.00 0.00 O ATOM 0 H ASP A 90 -6.263 -4.416 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.235 -4.695 -16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.812 -4.269 -13.566 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.131 -3.951 -15.149 1.00 0.00 H new ATOM 1519 N ASP A 91 -3.458 -6.573 -16.102 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.789 -7.858 -16.219 1.00 0.00 C ATOM 1521 C ASP A 91 -1.461 -7.809 -15.462 1.00 0.00 C ATOM 1522 O ASP A 91 -1.272 -6.948 -14.602 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.578 -8.204 -17.699 1.00 0.00 C ATOM 1524 CG ASP A 91 -2.295 -9.678 -17.926 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -3.255 -10.473 -17.979 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.111 -10.048 -18.059 1.00 0.00 O ATOM 0 H ASP A 91 -3.144 -5.872 -16.773 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.407 -8.640 -15.778 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.465 -7.918 -18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.748 -7.615 -18.090 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.546 -8.714 -15.778 1.00 0.00 N ATOM 1532 CA ASP A 92 0.705 -8.835 -15.036 1.00 0.00 C ATOM 1533 C ASP A 92 1.620 -7.644 -15.266 1.00 0.00 C ATOM 1534 O ASP A 92 2.157 -7.454 -16.359 1.00 0.00 O ATOM 1535 CB ASP A 92 1.442 -10.123 -15.409 1.00 0.00 C ATOM 1536 CG ASP A 92 2.820 -10.203 -14.772 1.00 0.00 C ATOM 1537 OD1 ASP A 92 3.825 -10.097 -15.507 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.905 -10.373 -13.536 1.00 0.00 O ATOM 0 H ASP A 92 -0.645 -9.378 -16.546 1.00 0.00 H new ATOM 0 HA ASP A 92 0.440 -8.864 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.849 -10.982 -15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.541 -10.182 -16.493 1.00 0.00 H new ATOM 1543 N ASP A 93 1.774 -6.837 -14.232 1.00 0.00 N ATOM 1544 CA ASP A 93 2.746 -5.759 -14.237 1.00 0.00 C ATOM 1545 C ASP A 93 3.836 -6.055 -13.227 1.00 0.00 C ATOM 1546 O ASP A 93 3.552 -6.522 -12.124 1.00 0.00 O ATOM 1547 CB ASP A 93 2.101 -4.412 -13.887 1.00 0.00 C ATOM 1548 CG ASP A 93 1.216 -3.855 -14.980 1.00 0.00 C ATOM 1549 OD1 ASP A 93 1.624 -3.880 -16.160 1.00 0.00 O ATOM 1550 OD2 ASP A 93 0.128 -3.333 -14.655 1.00 0.00 O ATOM 0 H ASP A 93 1.233 -6.909 -13.370 1.00 0.00 H new ATOM 0 HA ASP A 93 3.161 -5.692 -15.243 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.510 -4.528 -12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.887 -3.690 -13.666 1.00 0.00 H new ATOM 1555 N ASP A 94 5.076 -5.798 -13.602 1.00 0.00 N ATOM 1556 CA ASP A 94 6.183 -5.899 -12.665 1.00 0.00 C ATOM 1557 C ASP A 94 6.432 -4.530 -12.065 1.00 0.00 C ATOM 1558 O ASP A 94 6.395 -4.349 -10.849 1.00 0.00 O ATOM 1559 CB ASP A 94 7.454 -6.405 -13.351 1.00 0.00 C ATOM 1560 CG ASP A 94 8.626 -6.491 -12.389 1.00 0.00 C ATOM 1561 OD1 ASP A 94 9.445 -5.544 -12.346 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.727 -7.504 -11.664 1.00 0.00 O ATOM 0 H ASP A 94 5.343 -5.518 -14.546 1.00 0.00 H new ATOM 0 HA ASP A 94 5.922 -6.616 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.266 -7.388 -13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.710 -5.740 -14.175 1.00 0.00 H new ATOM 1567 N GLY A 95 6.661 -3.565 -12.939 1.00 0.00 N ATOM 1568 CA GLY A 95 6.815 -2.198 -12.511 1.00 0.00 C ATOM 1569 C GLY A 95 5.483 -1.484 -12.488 1.00 0.00 C ATOM 1570 O GLY A 95 4.666 -1.653 -13.397 1.00 0.00 O ATOM 0 H GLY A 95 6.743 -3.709 -13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.262 -2.173 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.499 -1.678 -13.182 1.00 0.00 H new ATOM 1574 N TYR A 96 5.244 -0.706 -11.449 1.00 0.00 N ATOM 1575 CA TYR A 96 3.991 0.014 -11.324 1.00 0.00 C ATOM 1576 C TYR A 96 4.275 1.504 -11.358 1.00 0.00 C ATOM 1577 O TYR A 96 3.820 2.176 -12.298 1.00 0.00 O ATOM 1578 CB TYR A 96 3.253 -0.365 -10.031 1.00 0.00 C ATOM 1579 CG TYR A 96 2.631 -1.756 -10.013 1.00 0.00 C ATOM 1580 CD1 TYR A 96 3.386 -2.886 -10.292 1.00 0.00 C ATOM 1581 CD2 TYR A 96 1.288 -1.937 -9.685 1.00 0.00 C ATOM 1582 CE1 TYR A 96 2.830 -4.146 -10.248 1.00 0.00 C ATOM 1583 CE2 TYR A 96 0.721 -3.195 -9.642 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.500 -4.298 -9.925 1.00 0.00 C ATOM 1585 OH TYR A 96 0.951 -5.558 -9.879 1.00 0.00 O ATOM 1586 OXT TYR A 96 5.011 1.982 -10.474 1.00 0.00 O ATOM 0 H TYR A 96 5.899 -0.557 -10.681 1.00 0.00 H new ATOM 0 HA TYR A 96 3.343 -0.258 -12.157 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.952 -0.288 -9.199 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.466 0.368 -9.855 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.429 -2.776 -10.549 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.678 -1.075 -9.460 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.436 -5.013 -10.466 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.322 -3.315 -9.389 1.00 0.00 H new ATOM 0 HH TYR A 96 1.640 -6.206 -9.623 1.00 0.00 H new TER 1596 TYR A 96