USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 33 SER OG : rot 180:sc= 0.639 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -145:sc= 0.709 (180deg=-0.0578) USER MOD Set 2.1: A 1 MET N :NH3+ -168:sc= 0.851 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot -129:sc= 0.886 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0914) USER MOD Single : A 9 GLN : amide:sc= 0.766 K(o=0.77,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ -107:sc= 0.402 (180deg=-0.0132) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.409) USER MOD Single : A 22 SER OG : rot 180:sc= 0.748 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.087) USER MOD Single : A 30 THR OG1 : rot 74:sc= 1.86 USER MOD Single : A 32 THR OG1 : rot -78:sc= 0.97 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 0.927 (180deg=0.538) USER MOD Single : A 36 SER OG : rot 80:sc= 1.05 USER MOD Single : A 40 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0254 (180deg=-0.224) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.92 K(o=0.92,f=-0.0067) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc=-8.73e-05 (180deg=-0.0504) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 0.143 (180deg=-0.583) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.452 9.710 10.985 1.00 0.00 N ATOM 2 CA MET A 1 -15.200 10.156 10.398 1.00 0.00 C ATOM 3 C MET A 1 -14.424 8.936 9.907 1.00 0.00 C ATOM 4 O MET A 1 -14.110 8.830 8.726 1.00 0.00 O ATOM 5 CB MET A 1 -14.399 10.972 11.420 1.00 0.00 C ATOM 6 CG MET A 1 -13.149 11.589 10.775 1.00 0.00 C ATOM 7 SD MET A 1 -12.098 12.582 11.867 1.00 0.00 S ATOM 8 CE MET A 1 -11.484 11.310 12.993 1.00 0.00 C ATOM 0 H1 MET A 1 -17.075 10.529 11.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.916 9.036 10.343 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.262 9.245 11.896 1.00 0.00 H new ATOM 0 HA MET A 1 -15.392 10.809 9.546 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.027 11.762 11.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.105 10.332 12.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.545 10.784 10.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.466 12.215 9.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.714 11.735 13.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.306 10.939 13.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.062 10.487 12.417 1.00 0.00 H new ATOM 18 N ALA A 2 -14.162 7.987 10.810 1.00 0.00 N ATOM 19 CA ALA A 2 -13.589 6.694 10.451 1.00 0.00 C ATOM 20 C ALA A 2 -14.436 6.033 9.360 1.00 0.00 C ATOM 21 O ALA A 2 -13.907 5.451 8.416 1.00 0.00 O ATOM 22 CB ALA A 2 -13.494 5.807 11.693 1.00 0.00 C ATOM 0 H ALA A 2 -14.342 8.097 11.808 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.583 6.837 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.066 4.843 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.859 6.289 12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.490 5.656 12.110 1.00 0.00 H new ATOM 28 N SER A 3 -15.758 6.172 9.483 1.00 0.00 N ATOM 29 CA SER A 3 -16.735 5.815 8.471 1.00 0.00 C ATOM 30 C SER A 3 -16.328 6.389 7.114 1.00 0.00 C ATOM 31 O SER A 3 -16.052 5.645 6.176 1.00 0.00 O ATOM 32 CB SER A 3 -18.079 6.393 8.929 1.00 0.00 C ATOM 33 OG SER A 3 -17.882 7.711 9.427 1.00 0.00 O ATOM 0 H SER A 3 -16.187 6.552 10.327 1.00 0.00 H new ATOM 0 HA SER A 3 -16.803 4.733 8.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.783 6.408 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.514 5.761 9.703 1.00 0.00 H new ATOM 0 HG SER A 3 -18.297 7.792 10.311 1.00 0.00 H new ATOM 39 N VAL A 4 -16.300 7.720 7.025 1.00 0.00 N ATOM 40 CA VAL A 4 -15.934 8.454 5.820 1.00 0.00 C ATOM 41 C VAL A 4 -14.609 7.927 5.266 1.00 0.00 C ATOM 42 O VAL A 4 -14.538 7.535 4.102 1.00 0.00 O ATOM 43 CB VAL A 4 -15.883 9.969 6.097 1.00 0.00 C ATOM 44 CG1 VAL A 4 -15.514 10.745 4.824 1.00 0.00 C ATOM 45 CG2 VAL A 4 -17.232 10.480 6.622 1.00 0.00 C ATOM 0 H VAL A 4 -16.537 8.328 7.809 1.00 0.00 H new ATOM 0 HA VAL A 4 -16.699 8.295 5.060 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.118 10.134 6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.484 11.812 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.535 10.420 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.260 10.554 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -17.167 11.552 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.008 10.287 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -17.480 9.964 7.550 1.00 0.00 H new ATOM 55 N LEU A 5 -13.566 7.900 6.101 1.00 0.00 N ATOM 56 CA LEU A 5 -12.257 7.403 5.702 1.00 0.00 C ATOM 57 C LEU A 5 -12.375 6.012 5.075 1.00 0.00 C ATOM 58 O LEU A 5 -11.870 5.795 3.975 1.00 0.00 O ATOM 59 CB LEU A 5 -11.284 7.395 6.892 1.00 0.00 C ATOM 60 CG LEU A 5 -10.948 8.792 7.447 1.00 0.00 C ATOM 61 CD1 LEU A 5 -10.073 8.641 8.698 1.00 0.00 C ATOM 62 CD2 LEU A 5 -10.202 9.659 6.426 1.00 0.00 C ATOM 0 H LEU A 5 -13.610 8.222 7.068 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.852 8.079 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.713 6.793 7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.359 6.906 6.586 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.890 9.286 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.832 9.627 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.612 8.068 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.152 8.120 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.988 10.634 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.267 9.172 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.820 9.789 5.538 1.00 0.00 H new ATOM 74 N GLU A 6 -13.053 5.074 5.746 1.00 0.00 N ATOM 75 CA GLU A 6 -13.206 3.726 5.219 1.00 0.00 C ATOM 76 C GLU A 6 -13.973 3.748 3.894 1.00 0.00 C ATOM 77 O GLU A 6 -13.581 3.064 2.958 1.00 0.00 O ATOM 78 CB GLU A 6 -13.855 2.783 6.245 1.00 0.00 C ATOM 79 CG GLU A 6 -13.275 1.359 6.163 1.00 0.00 C ATOM 80 CD GLU A 6 -13.374 0.723 4.774 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.504 0.336 4.407 1.00 0.00 O ATOM 82 OE2 GLU A 6 -12.314 0.629 4.112 1.00 0.00 O ATOM 0 H GLU A 6 -13.500 5.229 6.650 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.211 3.328 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.704 3.179 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.931 2.747 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.228 1.387 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.796 0.724 6.880 1.00 0.00 H new ATOM 89 N GLU A 7 -15.053 4.524 3.787 1.00 0.00 N ATOM 90 CA GLU A 7 -15.805 4.621 2.540 1.00 0.00 C ATOM 91 C GLU A 7 -14.892 5.073 1.395 1.00 0.00 C ATOM 92 O GLU A 7 -14.835 4.425 0.351 1.00 0.00 O ATOM 93 CB GLU A 7 -17.006 5.561 2.713 1.00 0.00 C ATOM 94 CG GLU A 7 -18.068 4.972 3.653 1.00 0.00 C ATOM 95 CD GLU A 7 -18.900 3.887 2.977 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.473 2.714 3.039 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.951 4.257 2.412 1.00 0.00 O ATOM 0 H GLU A 7 -15.424 5.092 4.548 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.190 3.635 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.664 6.518 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.454 5.760 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.580 4.556 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.726 5.769 3.999 1.00 0.00 H new ATOM 104 N LEU A 8 -14.156 6.170 1.591 1.00 0.00 N ATOM 105 CA LEU A 8 -13.245 6.671 0.567 1.00 0.00 C ATOM 106 C LEU A 8 -12.168 5.623 0.253 1.00 0.00 C ATOM 107 O LEU A 8 -11.885 5.353 -0.916 1.00 0.00 O ATOM 108 CB LEU A 8 -12.644 8.023 0.989 1.00 0.00 C ATOM 109 CG LEU A 8 -13.698 9.107 1.273 1.00 0.00 C ATOM 110 CD1 LEU A 8 -13.014 10.332 1.886 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.449 9.531 0.009 1.00 0.00 C ATOM 0 H LEU A 8 -14.175 6.724 2.447 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.803 6.847 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.036 7.877 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.976 8.375 0.203 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.426 8.684 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.759 11.102 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.524 10.047 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.271 10.720 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.182 10.298 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.742 9.930 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.959 8.668 -0.418 1.00 0.00 H new ATOM 123 N GLN A 9 -11.592 4.999 1.288 1.00 0.00 N ATOM 124 CA GLN A 9 -10.647 3.899 1.132 1.00 0.00 C ATOM 125 C GLN A 9 -11.253 2.820 0.236 1.00 0.00 C ATOM 126 O GLN A 9 -10.630 2.414 -0.735 1.00 0.00 O ATOM 127 CB GLN A 9 -10.243 3.347 2.511 1.00 0.00 C ATOM 128 CG GLN A 9 -9.040 2.388 2.495 1.00 0.00 C ATOM 129 CD GLN A 9 -9.276 1.069 1.760 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.492 0.695 0.895 1.00 0.00 O ATOM 131 NE2 GLN A 9 -10.345 0.347 2.085 1.00 0.00 N ATOM 0 H GLN A 9 -11.773 5.248 2.260 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.739 4.260 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.013 4.185 3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.098 2.828 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.194 2.898 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.756 2.168 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.984 0.678 2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.526 -0.538 1.611 1.00 0.00 H new ATOM 140 N LYS A 10 -12.462 2.356 0.548 1.00 0.00 N ATOM 141 CA LYS A 10 -13.137 1.302 -0.186 1.00 0.00 C ATOM 142 C LYS A 10 -13.322 1.725 -1.641 1.00 0.00 C ATOM 143 O LYS A 10 -13.019 0.963 -2.554 1.00 0.00 O ATOM 144 CB LYS A 10 -14.469 0.975 0.505 1.00 0.00 C ATOM 145 CG LYS A 10 -15.202 -0.238 -0.089 1.00 0.00 C ATOM 146 CD LYS A 10 -14.390 -1.544 -0.082 1.00 0.00 C ATOM 147 CE LYS A 10 -13.778 -1.890 1.284 1.00 0.00 C ATOM 148 NZ LYS A 10 -14.794 -1.946 2.351 1.00 0.00 N ATOM 0 H LYS A 10 -13.005 2.713 1.334 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.535 0.393 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.282 0.791 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.121 1.846 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.125 -0.397 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.485 -0.007 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.036 -2.363 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.590 -1.467 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.268 -2.851 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.024 -1.146 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.699 -1.112 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.743 -1.956 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.658 -2.809 2.915 1.00 0.00 H new ATOM 162 N ASP A 11 -13.787 2.954 -1.867 1.00 0.00 N ATOM 163 CA ASP A 11 -13.945 3.505 -3.208 1.00 0.00 C ATOM 164 C ASP A 11 -12.616 3.421 -3.986 1.00 0.00 C ATOM 165 O ASP A 11 -12.572 2.978 -5.132 1.00 0.00 O ATOM 166 CB ASP A 11 -14.485 4.940 -3.080 1.00 0.00 C ATOM 167 CG ASP A 11 -15.036 5.523 -4.378 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.203 4.742 -5.339 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.302 6.744 -4.377 1.00 0.00 O ATOM 0 H ASP A 11 -14.064 3.594 -1.123 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.664 2.924 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.273 4.953 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.685 5.585 -2.716 1.00 0.00 H new ATOM 174 N LEU A 12 -11.512 3.791 -3.331 1.00 0.00 N ATOM 175 CA LEU A 12 -10.157 3.687 -3.861 1.00 0.00 C ATOM 176 C LEU A 12 -9.806 2.211 -4.127 1.00 0.00 C ATOM 177 O LEU A 12 -9.256 1.853 -5.168 1.00 0.00 O ATOM 178 CB LEU A 12 -9.206 4.383 -2.870 1.00 0.00 C ATOM 179 CG LEU A 12 -7.915 4.948 -3.483 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.258 5.899 -2.475 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.921 3.841 -3.832 1.00 0.00 C ATOM 0 H LEU A 12 -11.541 4.182 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.061 4.189 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.745 5.197 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.937 3.671 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.180 5.472 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.341 6.305 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.943 6.715 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.023 5.354 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.022 4.282 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.658 3.290 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.373 3.160 -4.554 1.00 0.00 H new ATOM 193 N GLU A 13 -10.151 1.332 -3.187 1.00 0.00 N ATOM 194 CA GLU A 13 -9.938 -0.101 -3.273 1.00 0.00 C ATOM 195 C GLU A 13 -10.619 -0.665 -4.523 1.00 0.00 C ATOM 196 O GLU A 13 -10.021 -1.469 -5.233 1.00 0.00 O ATOM 197 CB GLU A 13 -10.436 -0.762 -1.978 1.00 0.00 C ATOM 198 CG GLU A 13 -9.845 -2.153 -1.735 1.00 0.00 C ATOM 199 CD GLU A 13 -10.408 -2.768 -0.454 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.546 -2.015 0.537 1.00 0.00 O ATOM 201 OE2 GLU A 13 -10.704 -3.983 -0.489 1.00 0.00 O ATOM 0 H GLU A 13 -10.602 1.614 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.875 -0.320 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.189 -0.119 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.523 -0.839 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.068 -2.801 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.760 -2.084 -1.664 1.00 0.00 H new ATOM 208 N GLU A 14 -11.851 -0.233 -4.821 1.00 0.00 N ATOM 209 CA GLU A 14 -12.528 -0.649 -6.043 1.00 0.00 C ATOM 210 C GLU A 14 -11.678 -0.320 -7.276 1.00 0.00 C ATOM 211 O GLU A 14 -11.398 -1.216 -8.074 1.00 0.00 O ATOM 212 CB GLU A 14 -13.936 -0.043 -6.155 1.00 0.00 C ATOM 213 CG GLU A 14 -14.903 -0.477 -5.042 1.00 0.00 C ATOM 214 CD GLU A 14 -15.032 -1.991 -4.891 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.193 -2.657 -5.938 1.00 0.00 O ATOM 216 OE2 GLU A 14 -14.974 -2.454 -3.731 1.00 0.00 O ATOM 0 H GLU A 14 -12.392 0.401 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.652 -1.731 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.853 1.044 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.362 -0.320 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.565 -0.055 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.888 -0.057 -5.245 1.00 0.00 H new ATOM 223 N VAL A 15 -11.241 0.936 -7.440 1.00 0.00 N ATOM 224 CA VAL A 15 -10.387 1.261 -8.584 1.00 0.00 C ATOM 225 C VAL A 15 -9.102 0.435 -8.566 1.00 0.00 C ATOM 226 O VAL A 15 -8.710 -0.053 -9.621 1.00 0.00 O ATOM 227 CB VAL A 15 -10.150 2.767 -8.806 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.619 3.512 -7.584 1.00 0.00 C ATOM 229 CG2 VAL A 15 -9.174 3.020 -9.964 1.00 0.00 C ATOM 0 H VAL A 15 -11.456 1.716 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.949 0.968 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.143 3.155 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.482 4.565 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.332 3.421 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.664 3.082 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.031 4.093 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.216 2.550 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.581 2.597 -10.882 1.00 0.00 H new ATOM 239 N LYS A 16 -8.462 0.234 -7.407 1.00 0.00 N ATOM 240 CA LYS A 16 -7.300 -0.660 -7.354 1.00 0.00 C ATOM 241 C LYS A 16 -7.633 -2.044 -7.934 1.00 0.00 C ATOM 242 O LYS A 16 -7.002 -2.492 -8.890 1.00 0.00 O ATOM 243 CB LYS A 16 -6.766 -0.791 -5.922 1.00 0.00 C ATOM 244 CG LYS A 16 -5.925 0.422 -5.522 1.00 0.00 C ATOM 245 CD LYS A 16 -5.561 0.322 -4.036 1.00 0.00 C ATOM 246 CE LYS A 16 -4.421 1.285 -3.693 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.183 1.337 -2.239 1.00 0.00 N ATOM 0 H LYS A 16 -8.719 0.664 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.518 -0.215 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.601 -0.900 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.164 -1.696 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.020 0.466 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.480 1.341 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.434 0.552 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.265 -0.700 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.510 0.969 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.662 2.283 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.405 1.998 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.046 1.661 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.930 0.389 -1.895 1.00 0.00 H new ATOM 261 N VAL A 17 -8.633 -2.715 -7.363 1.00 0.00 N ATOM 262 CA VAL A 17 -9.072 -4.038 -7.794 1.00 0.00 C ATOM 263 C VAL A 17 -9.322 -4.055 -9.307 1.00 0.00 C ATOM 264 O VAL A 17 -8.785 -4.901 -10.026 1.00 0.00 O ATOM 265 CB VAL A 17 -10.313 -4.443 -6.975 1.00 0.00 C ATOM 266 CG1 VAL A 17 -11.037 -5.663 -7.557 1.00 0.00 C ATOM 267 CG2 VAL A 17 -9.906 -4.768 -5.530 1.00 0.00 C ATOM 0 H VAL A 17 -9.168 -2.347 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.293 -4.777 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.995 -3.594 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.902 -5.902 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.366 -5.441 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.358 -6.515 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.789 -5.053 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.192 -5.592 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.447 -3.890 -5.075 1.00 0.00 H new ATOM 277 N LEU A 18 -10.140 -3.123 -9.797 1.00 0.00 N ATOM 278 CA LEU A 18 -10.503 -3.067 -11.206 1.00 0.00 C ATOM 279 C LEU A 18 -9.273 -2.820 -12.085 1.00 0.00 C ATOM 280 O LEU A 18 -9.116 -3.489 -13.103 1.00 0.00 O ATOM 281 CB LEU A 18 -11.586 -2.006 -11.423 1.00 0.00 C ATOM 282 CG LEU A 18 -12.920 -2.381 -10.755 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.816 -1.143 -10.695 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.656 -3.491 -11.517 1.00 0.00 C ATOM 0 H LEU A 18 -10.566 -2.391 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.912 -4.032 -11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.240 -1.052 -11.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.745 -1.867 -12.492 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.697 -2.751 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.763 -1.402 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.322 -0.364 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.002 -0.779 -11.706 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.592 -3.722 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.868 -3.156 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.032 -4.384 -11.552 1.00 0.00 H new ATOM 296 N LEU A 19 -8.402 -1.885 -11.693 1.00 0.00 N ATOM 297 CA LEU A 19 -7.139 -1.595 -12.364 1.00 0.00 C ATOM 298 C LEU A 19 -6.303 -2.870 -12.487 1.00 0.00 C ATOM 299 O LEU A 19 -5.801 -3.181 -13.563 1.00 0.00 O ATOM 300 CB LEU A 19 -6.404 -0.477 -11.605 1.00 0.00 C ATOM 301 CG LEU A 19 -4.991 -0.163 -12.133 1.00 0.00 C ATOM 302 CD1 LEU A 19 -4.742 1.349 -12.085 1.00 0.00 C ATOM 303 CD2 LEU A 19 -3.906 -0.864 -11.305 1.00 0.00 C ATOM 0 H LEU A 19 -8.564 -1.295 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.324 -1.240 -13.378 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.005 0.431 -11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.331 -0.757 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.938 -0.528 -13.159 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.741 1.565 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.479 1.859 -12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.828 1.699 -11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.924 -0.618 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.966 -0.530 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.056 -1.943 -11.348 1.00 0.00 H new ATOM 315 N GLU A 20 -6.151 -3.605 -11.383 1.00 0.00 N ATOM 316 CA GLU A 20 -5.390 -4.847 -11.363 1.00 0.00 C ATOM 317 C GLU A 20 -6.011 -5.883 -12.306 1.00 0.00 C ATOM 318 O GLU A 20 -5.296 -6.539 -13.059 1.00 0.00 O ATOM 319 CB GLU A 20 -5.315 -5.386 -9.928 1.00 0.00 C ATOM 320 CG GLU A 20 -4.427 -4.508 -9.037 1.00 0.00 C ATOM 321 CD GLU A 20 -4.558 -4.906 -7.570 1.00 0.00 C ATOM 322 OE1 GLU A 20 -4.150 -6.044 -7.256 1.00 0.00 O ATOM 323 OE2 GLU A 20 -5.071 -4.072 -6.792 1.00 0.00 O ATOM 0 H GLU A 20 -6.553 -3.352 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.378 -4.646 -11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.318 -5.436 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.924 -6.403 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.387 -4.600 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.705 -3.461 -9.159 1.00 0.00 H new ATOM 330 N LYS A 21 -7.333 -6.059 -12.237 1.00 0.00 N ATOM 331 CA LYS A 21 -8.025 -7.081 -13.011 1.00 0.00 C ATOM 332 C LYS A 21 -8.248 -6.641 -14.462 1.00 0.00 C ATOM 333 O LYS A 21 -7.622 -7.170 -15.385 1.00 0.00 O ATOM 334 CB LYS A 21 -9.344 -7.442 -12.313 1.00 0.00 C ATOM 335 CG LYS A 21 -9.071 -8.190 -11.002 1.00 0.00 C ATOM 336 CD LYS A 21 -10.380 -8.448 -10.247 1.00 0.00 C ATOM 337 CE LYS A 21 -10.186 -9.467 -9.115 1.00 0.00 C ATOM 338 NZ LYS A 21 -9.096 -9.089 -8.196 1.00 0.00 N ATOM 0 H LYS A 21 -7.947 -5.499 -11.646 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.399 -7.972 -13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.914 -6.536 -12.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.953 -8.061 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.574 -9.137 -11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.394 -7.607 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.754 -7.511 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.136 -8.814 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.115 -9.562 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.972 -10.446 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.335 -9.394 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.213 -9.550 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.971 -8.057 -8.212 1.00 0.00 H new ATOM 352 N SER A 22 -9.175 -5.701 -14.671 1.00 0.00 N ATOM 353 CA SER A 22 -9.638 -5.269 -15.982 1.00 0.00 C ATOM 354 C SER A 22 -8.591 -4.394 -16.666 1.00 0.00 C ATOM 355 O SER A 22 -8.821 -3.214 -16.918 1.00 0.00 O ATOM 356 CB SER A 22 -10.981 -4.539 -15.843 1.00 0.00 C ATOM 357 OG SER A 22 -12.024 -5.492 -15.731 1.00 0.00 O ATOM 0 H SER A 22 -9.634 -5.208 -13.905 1.00 0.00 H new ATOM 0 HA SER A 22 -9.788 -6.144 -16.614 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.967 -3.893 -14.965 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.150 -3.898 -16.708 1.00 0.00 H new ATOM 0 HG SER A 22 -12.883 -5.028 -15.640 1.00 0.00 H new ATOM 363 N THR A 23 -7.469 -5.002 -17.038 1.00 0.00 N ATOM 364 CA THR A 23 -6.285 -4.384 -17.616 1.00 0.00 C ATOM 365 C THR A 23 -6.479 -4.028 -19.099 1.00 0.00 C ATOM 366 O THR A 23 -5.565 -4.148 -19.912 1.00 0.00 O ATOM 367 CB THR A 23 -5.105 -5.337 -17.338 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.548 -6.689 -17.310 1.00 0.00 O ATOM 369 CG2 THR A 23 -4.496 -5.027 -15.970 1.00 0.00 C ATOM 0 H THR A 23 -7.357 -6.011 -16.935 1.00 0.00 H new ATOM 0 HA THR A 23 -6.077 -3.418 -17.155 1.00 0.00 H new ATOM 0 HB THR A 23 -4.371 -5.197 -18.132 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.786 -7.279 -17.134 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.663 -5.704 -15.781 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.137 -3.998 -15.956 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.253 -5.158 -15.197 1.00 0.00 H new ATOM 377 N ARG A 24 -7.682 -3.566 -19.443 1.00 0.00 N ATOM 378 CA ARG A 24 -8.028 -2.977 -20.724 1.00 0.00 C ATOM 379 C ARG A 24 -7.791 -1.464 -20.639 1.00 0.00 C ATOM 380 O ARG A 24 -7.397 -0.945 -19.595 1.00 0.00 O ATOM 381 CB ARG A 24 -9.504 -3.296 -21.024 1.00 0.00 C ATOM 382 CG ARG A 24 -9.803 -4.801 -20.946 1.00 0.00 C ATOM 383 CD ARG A 24 -11.270 -5.108 -21.277 1.00 0.00 C ATOM 384 NE ARG A 24 -12.212 -4.401 -20.394 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.490 -4.726 -19.120 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.877 -5.750 -18.520 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.386 -4.012 -18.433 1.00 0.00 N ATOM 0 H ARG A 24 -8.474 -3.597 -18.801 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.415 -3.382 -21.529 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.139 -2.764 -20.316 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.758 -2.928 -22.018 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.154 -5.337 -21.639 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.572 -5.166 -19.945 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.470 -4.830 -22.312 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.439 -6.182 -21.197 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.697 -3.593 -20.784 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.185 -6.300 -19.030 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.101 -5.982 -17.552 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.857 -3.223 -18.876 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.599 -4.256 -17.466 1.00 0.00 H new ATOM 401 N LYS A 25 -8.139 -0.727 -21.701 1.00 0.00 N ATOM 402 CA LYS A 25 -8.166 0.736 -21.662 1.00 0.00 C ATOM 403 C LYS A 25 -9.017 1.253 -20.491 1.00 0.00 C ATOM 404 O LYS A 25 -8.788 2.358 -19.995 1.00 0.00 O ATOM 405 CB LYS A 25 -8.647 1.299 -23.008 1.00 0.00 C ATOM 406 CG LYS A 25 -10.123 1.003 -23.315 1.00 0.00 C ATOM 407 CD LYS A 25 -10.494 1.587 -24.685 1.00 0.00 C ATOM 408 CE LYS A 25 -11.971 1.355 -25.028 1.00 0.00 C ATOM 409 NZ LYS A 25 -12.874 2.070 -24.106 1.00 0.00 N ATOM 0 H LYS A 25 -8.407 -1.125 -22.601 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.150 1.091 -21.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.494 2.378 -23.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.030 0.885 -23.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.297 -0.073 -23.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.759 1.433 -22.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.284 2.657 -24.692 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.868 1.134 -25.454 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.162 1.684 -26.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.188 0.287 -24.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.850 2.012 -24.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.822 1.635 -23.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.587 3.068 -24.043 1.00 0.00 H new ATOM 423 N ARG A 26 -9.974 0.422 -20.050 1.00 0.00 N ATOM 424 CA ARG A 26 -10.815 0.576 -18.877 1.00 0.00 C ATOM 425 C ARG A 26 -10.134 1.341 -17.749 1.00 0.00 C ATOM 426 O ARG A 26 -10.783 2.179 -17.133 1.00 0.00 O ATOM 427 CB ARG A 26 -11.258 -0.822 -18.417 1.00 0.00 C ATOM 428 CG ARG A 26 -12.156 -0.841 -17.174 1.00 0.00 C ATOM 429 CD ARG A 26 -13.366 0.092 -17.311 1.00 0.00 C ATOM 430 NE ARG A 26 -14.560 -0.480 -16.685 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.889 -0.452 -15.386 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.088 0.115 -14.482 1.00 0.00 N ATOM 433 NH2 ARG A 26 -16.043 -1.002 -14.993 1.00 0.00 N ATOM 0 H ARG A 26 -10.188 -0.440 -20.552 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.681 1.179 -19.149 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.788 -1.307 -19.237 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.369 -1.420 -18.214 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.504 -1.859 -16.996 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.571 -0.547 -16.302 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.139 1.054 -16.851 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.563 0.281 -18.366 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.215 -0.953 -17.308 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.207 0.538 -14.775 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.357 0.126 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.661 -1.436 -15.679 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.305 -0.988 -14.007 1.00 0.00 H new ATOM 447 N LEU A 27 -8.858 1.074 -17.457 1.00 0.00 N ATOM 448 CA LEU A 27 -8.119 1.774 -16.407 1.00 0.00 C ATOM 449 C LEU A 27 -8.348 3.290 -16.445 1.00 0.00 C ATOM 450 O LEU A 27 -8.596 3.892 -15.402 1.00 0.00 O ATOM 451 CB LEU A 27 -6.621 1.452 -16.502 1.00 0.00 C ATOM 452 CG LEU A 27 -6.221 0.179 -15.749 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.078 -1.033 -16.112 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.748 -0.137 -16.027 1.00 0.00 C ATOM 0 H LEU A 27 -8.309 0.365 -17.944 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.501 1.417 -15.450 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.346 1.346 -17.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.051 2.293 -16.107 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.384 0.375 -14.689 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.742 -1.900 -15.543 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.121 -0.825 -15.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.983 -1.239 -17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.463 -1.043 -15.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.604 -0.287 -17.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.128 0.694 -15.691 1.00 0.00 H new ATOM 466 N ARG A 28 -8.295 3.909 -17.629 1.00 0.00 N ATOM 467 CA ARG A 28 -8.488 5.349 -17.763 1.00 0.00 C ATOM 468 C ARG A 28 -9.881 5.751 -17.261 1.00 0.00 C ATOM 469 O ARG A 28 -10.028 6.653 -16.430 1.00 0.00 O ATOM 470 CB ARG A 28 -8.272 5.752 -19.229 1.00 0.00 C ATOM 471 CG ARG A 28 -8.360 7.272 -19.418 1.00 0.00 C ATOM 472 CD ARG A 28 -8.074 7.649 -20.873 1.00 0.00 C ATOM 473 NE ARG A 28 -8.184 9.101 -21.062 1.00 0.00 N ATOM 474 CZ ARG A 28 -7.968 9.740 -22.221 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.620 9.057 -23.316 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.102 11.068 -22.274 1.00 0.00 N ATOM 0 H ARG A 28 -8.119 3.428 -18.511 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.760 5.879 -17.149 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.296 5.400 -19.563 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.019 5.264 -19.855 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.352 7.623 -19.134 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.646 7.768 -18.761 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.074 7.315 -21.151 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.775 7.137 -21.532 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.444 9.665 -20.253 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.517 8.043 -23.273 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.457 9.550 -24.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.367 11.588 -21.437 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.940 11.562 -23.151 1.00 0.00 H new ATOM 490 N ASP A 29 -10.907 5.073 -17.780 1.00 0.00 N ATOM 491 CA ASP A 29 -12.302 5.322 -17.439 1.00 0.00 C ATOM 492 C ASP A 29 -12.498 5.132 -15.937 1.00 0.00 C ATOM 493 O ASP A 29 -13.089 5.970 -15.258 1.00 0.00 O ATOM 494 CB ASP A 29 -13.217 4.367 -18.219 1.00 0.00 C ATOM 495 CG ASP A 29 -12.941 4.379 -19.719 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.978 3.686 -20.117 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.691 5.074 -20.437 1.00 0.00 O ATOM 0 H ASP A 29 -10.785 4.323 -18.461 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.562 6.346 -17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.087 3.354 -17.838 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.257 4.642 -18.043 1.00 0.00 H new ATOM 502 N THR A 30 -11.979 4.015 -15.424 1.00 0.00 N ATOM 503 CA THR A 30 -12.055 3.661 -14.020 1.00 0.00 C ATOM 504 C THR A 30 -11.443 4.785 -13.190 1.00 0.00 C ATOM 505 O THR A 30 -12.081 5.274 -12.268 1.00 0.00 O ATOM 506 CB THR A 30 -11.341 2.334 -13.726 1.00 0.00 C ATOM 507 OG1 THR A 30 -11.682 1.357 -14.682 1.00 0.00 O ATOM 508 CG2 THR A 30 -11.763 1.802 -12.355 1.00 0.00 C ATOM 0 H THR A 30 -11.487 3.324 -15.990 1.00 0.00 H new ATOM 0 HA THR A 30 -13.104 3.528 -13.754 1.00 0.00 H new ATOM 0 HB THR A 30 -10.269 2.527 -13.754 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.233 1.558 -15.530 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.251 0.861 -12.157 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.499 2.528 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.841 1.638 -12.344 1.00 0.00 H new ATOM 516 N LEU A 31 -10.211 5.192 -13.508 1.00 0.00 N ATOM 517 CA LEU A 31 -9.487 6.208 -12.760 1.00 0.00 C ATOM 518 C LEU A 31 -10.293 7.502 -12.730 1.00 0.00 C ATOM 519 O LEU A 31 -10.622 7.999 -11.656 1.00 0.00 O ATOM 520 CB LEU A 31 -8.084 6.383 -13.366 1.00 0.00 C ATOM 521 CG LEU A 31 -7.129 7.345 -12.632 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.427 8.829 -12.887 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.054 7.067 -11.126 1.00 0.00 C ATOM 0 H LEU A 31 -9.689 4.818 -14.300 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.354 5.900 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.609 5.403 -13.414 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.198 6.733 -14.392 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.151 7.139 -13.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.714 9.443 -12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.341 9.039 -13.953 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.438 9.060 -12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.367 7.773 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.045 7.179 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.696 6.051 -10.961 1.00 0.00 H new ATOM 535 N THR A 32 -10.620 8.043 -13.905 1.00 0.00 N ATOM 536 CA THR A 32 -11.339 9.309 -13.998 1.00 0.00 C ATOM 537 C THR A 32 -12.671 9.241 -13.238 1.00 0.00 C ATOM 538 O THR A 32 -12.967 10.101 -12.401 1.00 0.00 O ATOM 539 CB THR A 32 -11.517 9.701 -15.472 1.00 0.00 C ATOM 540 OG1 THR A 32 -12.009 8.613 -16.230 1.00 0.00 O ATOM 541 CG2 THR A 32 -10.185 10.158 -16.073 1.00 0.00 C ATOM 0 H THR A 32 -10.396 7.621 -14.806 1.00 0.00 H new ATOM 0 HA THR A 32 -10.753 10.093 -13.519 1.00 0.00 H new ATOM 0 HB THR A 32 -12.236 10.519 -15.507 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.276 7.992 -16.425 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.332 10.431 -17.118 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.814 11.021 -15.521 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.460 9.347 -16.009 1.00 0.00 H new ATOM 549 N SER A 33 -13.463 8.200 -13.510 1.00 0.00 N ATOM 550 CA SER A 33 -14.723 7.968 -12.821 1.00 0.00 C ATOM 551 C SER A 33 -14.500 7.943 -11.307 1.00 0.00 C ATOM 552 O SER A 33 -15.055 8.764 -10.580 1.00 0.00 O ATOM 553 CB SER A 33 -15.358 6.663 -13.318 1.00 0.00 C ATOM 554 OG SER A 33 -16.606 6.451 -12.684 1.00 0.00 O ATOM 0 H SER A 33 -13.243 7.497 -14.216 1.00 0.00 H new ATOM 0 HA SER A 33 -15.412 8.783 -13.042 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.494 6.705 -14.399 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.691 5.825 -13.113 1.00 0.00 H new ATOM 0 HG SER A 33 -17.001 5.616 -13.011 1.00 0.00 H new ATOM 560 N GLU A 34 -13.682 7.006 -10.826 1.00 0.00 N ATOM 561 CA GLU A 34 -13.529 6.754 -9.406 1.00 0.00 C ATOM 562 C GLU A 34 -12.956 7.975 -8.693 1.00 0.00 C ATOM 563 O GLU A 34 -13.397 8.294 -7.599 1.00 0.00 O ATOM 564 CB GLU A 34 -12.675 5.507 -9.149 1.00 0.00 C ATOM 565 CG GLU A 34 -13.115 4.823 -7.848 1.00 0.00 C ATOM 566 CD GLU A 34 -14.194 3.775 -8.114 1.00 0.00 C ATOM 567 OE1 GLU A 34 -15.367 4.182 -8.262 1.00 0.00 O ATOM 568 OE2 GLU A 34 -13.817 2.586 -8.215 1.00 0.00 O ATOM 0 H GLU A 34 -13.109 6.403 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.520 6.562 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.771 4.813 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.623 5.785 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.255 4.351 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.494 5.570 -7.151 1.00 0.00 H new ATOM 575 N LYS A 35 -11.997 8.677 -9.303 1.00 0.00 N ATOM 576 CA LYS A 35 -11.500 9.946 -8.785 1.00 0.00 C ATOM 577 C LYS A 35 -12.688 10.876 -8.519 1.00 0.00 C ATOM 578 O LYS A 35 -12.836 11.419 -7.422 1.00 0.00 O ATOM 579 CB LYS A 35 -10.480 10.516 -9.786 1.00 0.00 C ATOM 580 CG LYS A 35 -9.720 11.772 -9.330 1.00 0.00 C ATOM 581 CD LYS A 35 -10.512 13.090 -9.352 1.00 0.00 C ATOM 582 CE LYS A 35 -11.146 13.401 -10.714 1.00 0.00 C ATOM 583 NZ LYS A 35 -11.722 14.757 -10.732 1.00 0.00 N ATOM 0 H LYS A 35 -11.547 8.379 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.982 9.824 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.752 9.738 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.002 10.748 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.361 11.605 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.841 11.890 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.297 13.046 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.848 13.908 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.394 13.311 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.923 12.669 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.479 14.803 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.113 14.980 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.980 15.446 -10.971 1.00 0.00 H new ATOM 597 N SER A 36 -13.562 11.024 -9.519 1.00 0.00 N ATOM 598 CA SER A 36 -14.761 11.831 -9.374 1.00 0.00 C ATOM 599 C SER A 36 -15.630 11.311 -8.223 1.00 0.00 C ATOM 600 O SER A 36 -16.038 12.094 -7.368 1.00 0.00 O ATOM 601 CB SER A 36 -15.523 11.910 -10.702 1.00 0.00 C ATOM 602 OG SER A 36 -14.636 12.251 -11.752 1.00 0.00 O ATOM 0 H SER A 36 -13.455 10.592 -10.437 1.00 0.00 H new ATOM 0 HA SER A 36 -14.473 12.850 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.000 10.953 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.317 12.653 -10.631 1.00 0.00 H new ATOM 0 HG SER A 36 -14.141 11.454 -12.034 1.00 0.00 H new ATOM 608 N LYS A 37 -15.904 10.002 -8.173 1.00 0.00 N ATOM 609 CA LYS A 37 -16.670 9.394 -7.087 1.00 0.00 C ATOM 610 C LYS A 37 -16.066 9.718 -5.717 1.00 0.00 C ATOM 611 O LYS A 37 -16.791 10.152 -4.827 1.00 0.00 O ATOM 612 CB LYS A 37 -16.825 7.875 -7.264 1.00 0.00 C ATOM 613 CG LYS A 37 -17.467 7.432 -8.587 1.00 0.00 C ATOM 614 CD LYS A 37 -18.828 8.087 -8.853 1.00 0.00 C ATOM 615 CE LYS A 37 -19.461 7.558 -10.146 1.00 0.00 C ATOM 616 NZ LYS A 37 -18.681 7.933 -11.339 1.00 0.00 N ATOM 0 H LYS A 37 -15.600 9.338 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.666 9.834 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.841 7.414 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.425 7.489 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.791 7.670 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.589 6.349 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.496 7.894 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.706 9.168 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.541 6.472 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.475 7.948 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.327 8.113 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.131 8.793 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.033 7.158 -11.588 1.00 0.00 H new ATOM 630 N ILE A 38 -14.755 9.546 -5.543 1.00 0.00 N ATOM 631 CA ILE A 38 -14.056 9.839 -4.296 1.00 0.00 C ATOM 632 C ILE A 38 -14.335 11.290 -3.906 1.00 0.00 C ATOM 633 O ILE A 38 -14.806 11.555 -2.799 1.00 0.00 O ATOM 634 CB ILE A 38 -12.548 9.531 -4.436 1.00 0.00 C ATOM 635 CG1 ILE A 38 -12.332 8.008 -4.523 1.00 0.00 C ATOM 636 CG2 ILE A 38 -11.737 10.092 -3.256 1.00 0.00 C ATOM 637 CD1 ILE A 38 -10.922 7.619 -4.975 1.00 0.00 C ATOM 0 H ILE A 38 -14.141 9.194 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.422 9.199 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.197 10.014 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -12.528 7.564 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.058 7.585 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.682 9.854 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.862 11.174 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.091 9.647 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.839 6.533 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.730 8.034 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.192 8.013 -4.268 1.00 0.00 H new ATOM 649 N GLU A 39 -14.067 12.229 -4.821 1.00 0.00 N ATOM 650 CA GLU A 39 -14.337 13.641 -4.573 1.00 0.00 C ATOM 651 C GLU A 39 -15.805 13.862 -4.189 1.00 0.00 C ATOM 652 O GLU A 39 -16.089 14.570 -3.227 1.00 0.00 O ATOM 653 CB GLU A 39 -13.952 14.481 -5.794 1.00 0.00 C ATOM 654 CG GLU A 39 -12.427 14.531 -5.969 1.00 0.00 C ATOM 655 CD GLU A 39 -12.009 15.356 -7.184 1.00 0.00 C ATOM 656 OE1 GLU A 39 -12.820 15.443 -8.132 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.871 15.872 -7.152 1.00 0.00 O ATOM 0 H GLU A 39 -13.664 12.032 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.725 13.964 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.411 14.060 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.342 15.493 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.974 14.954 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.042 13.516 -6.072 1.00 0.00 H new ATOM 664 N THR A 40 -16.732 13.254 -4.931 1.00 0.00 N ATOM 665 CA THR A 40 -18.162 13.370 -4.682 1.00 0.00 C ATOM 666 C THR A 40 -18.482 12.922 -3.254 1.00 0.00 C ATOM 667 O THR A 40 -19.046 13.692 -2.480 1.00 0.00 O ATOM 668 CB THR A 40 -18.947 12.569 -5.733 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.593 13.002 -7.030 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.459 12.746 -5.593 1.00 0.00 C ATOM 0 H THR A 40 -16.504 12.662 -5.730 1.00 0.00 H new ATOM 0 HA THR A 40 -18.468 14.412 -4.773 1.00 0.00 H new ATOM 0 HB THR A 40 -18.694 11.521 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.717 12.635 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.966 12.160 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.775 12.406 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.715 13.799 -5.713 1.00 0.00 H new ATOM 678 N GLU A 41 -18.112 11.687 -2.896 1.00 0.00 N ATOM 679 CA GLU A 41 -18.330 11.132 -1.569 1.00 0.00 C ATOM 680 C GLU A 41 -17.759 12.068 -0.505 1.00 0.00 C ATOM 681 O GLU A 41 -18.468 12.457 0.419 1.00 0.00 O ATOM 682 CB GLU A 41 -17.687 9.744 -1.463 1.00 0.00 C ATOM 683 CG GLU A 41 -18.453 8.680 -2.261 1.00 0.00 C ATOM 684 CD GLU A 41 -17.802 7.299 -2.166 1.00 0.00 C ATOM 685 OE1 GLU A 41 -17.087 7.065 -1.167 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.051 6.495 -3.090 1.00 0.00 O ATOM 0 H GLU A 41 -17.647 11.041 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.402 11.031 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.660 9.794 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.643 9.446 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.478 8.622 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.506 8.982 -3.307 1.00 0.00 H new ATOM 693 N LEU A 42 -16.480 12.424 -0.638 1.00 0.00 N ATOM 694 CA LEU A 42 -15.789 13.304 0.293 1.00 0.00 C ATOM 695 C LEU A 42 -16.575 14.609 0.476 1.00 0.00 C ATOM 696 O LEU A 42 -17.015 14.938 1.579 1.00 0.00 O ATOM 697 CB LEU A 42 -14.356 13.518 -0.227 1.00 0.00 C ATOM 698 CG LEU A 42 -13.561 14.631 0.473 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.300 14.287 1.941 1.00 0.00 C ATOM 700 CD2 LEU A 42 -12.221 14.822 -0.246 1.00 0.00 C ATOM 0 H LEU A 42 -15.892 12.103 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.724 12.859 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.807 12.582 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.404 13.744 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.148 15.549 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.736 15.094 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.250 14.161 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.728 13.361 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.653 15.611 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.654 13.892 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.402 15.100 -1.284 1.00 0.00 H new ATOM 712 N LYS A 43 -16.762 15.359 -0.609 1.00 0.00 N ATOM 713 CA LYS A 43 -17.378 16.676 -0.562 1.00 0.00 C ATOM 714 C LYS A 43 -18.846 16.609 -0.127 1.00 0.00 C ATOM 715 O LYS A 43 -19.337 17.554 0.486 1.00 0.00 O ATOM 716 CB LYS A 43 -17.225 17.361 -1.925 1.00 0.00 C ATOM 717 CG LYS A 43 -15.766 17.699 -2.277 1.00 0.00 C ATOM 718 CD LYS A 43 -15.078 18.672 -1.305 1.00 0.00 C ATOM 719 CE LYS A 43 -15.879 19.964 -1.094 1.00 0.00 C ATOM 720 NZ LYS A 43 -15.116 20.945 -0.304 1.00 0.00 N ATOM 0 H LYS A 43 -16.488 15.066 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.863 17.271 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.637 16.712 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.814 18.278 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.191 16.774 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.738 18.128 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.934 18.178 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.088 18.921 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.138 20.395 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.816 19.735 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.684 21.807 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.890 20.541 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.234 21.181 -0.802 1.00 0.00 H new ATOM 734 N ASN A 44 -19.549 15.517 -0.428 1.00 0.00 N ATOM 735 CA ASN A 44 -20.879 15.238 0.105 1.00 0.00 C ATOM 736 C ASN A 44 -20.812 15.043 1.616 1.00 0.00 C ATOM 737 O ASN A 44 -21.556 15.695 2.339 1.00 0.00 O ATOM 738 CB ASN A 44 -21.460 14.006 -0.600 1.00 0.00 C ATOM 739 CG ASN A 44 -22.721 13.495 0.086 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.828 13.906 -0.239 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.559 12.576 1.034 1.00 0.00 N ATOM 0 H ASN A 44 -19.204 14.792 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.538 16.085 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.687 14.255 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.712 13.214 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.372 12.191 1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -21.622 12.256 1.280 1.00 0.00 H new ATOM 748 N LYS A 45 -19.937 14.158 2.106 1.00 0.00 N ATOM 749 CA LYS A 45 -19.807 13.900 3.537 1.00 0.00 C ATOM 750 C LYS A 45 -19.452 15.185 4.295 1.00 0.00 C ATOM 751 O LYS A 45 -19.913 15.378 5.418 1.00 0.00 O ATOM 752 CB LYS A 45 -18.806 12.769 3.806 1.00 0.00 C ATOM 753 CG LYS A 45 -19.321 11.390 3.360 1.00 0.00 C ATOM 754 CD LYS A 45 -20.479 10.871 4.229 1.00 0.00 C ATOM 755 CE LYS A 45 -20.854 9.425 3.879 1.00 0.00 C ATOM 756 NZ LYS A 45 -19.768 8.474 4.178 1.00 0.00 N ATOM 0 H LYS A 45 -19.306 13.607 1.524 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.773 13.563 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.872 12.987 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.579 12.738 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.651 11.450 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.500 10.674 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.198 10.929 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.349 11.514 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.747 9.139 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.105 9.364 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.140 7.503 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.014 8.574 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.383 8.673 5.124 1.00 0.00 H new ATOM 770 N MET A 46 -18.657 16.069 3.685 1.00 0.00 N ATOM 771 CA MET A 46 -18.454 17.404 4.231 1.00 0.00 C ATOM 772 C MET A 46 -19.783 18.171 4.197 1.00 0.00 C ATOM 773 O MET A 46 -20.354 18.511 5.232 1.00 0.00 O ATOM 774 CB MET A 46 -17.373 18.151 3.436 1.00 0.00 C ATOM 775 CG MET A 46 -15.995 17.494 3.552 1.00 0.00 C ATOM 776 SD MET A 46 -15.227 17.551 5.187 1.00 0.00 S ATOM 777 CE MET A 46 -13.713 16.658 4.787 1.00 0.00 C ATOM 0 H MET A 46 -18.149 15.882 2.820 1.00 0.00 H new ATOM 0 HA MET A 46 -18.114 17.325 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 46 -17.664 18.193 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 46 -17.312 19.180 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.085 16.450 3.251 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.324 17.974 2.840 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.089 16.583 5.677 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.963 15.658 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.170 17.193 4.008 1.00 0.00 H new ATOM 787 N GLN A 47 -20.279 18.456 2.992 1.00 0.00 N ATOM 788 CA GLN A 47 -21.436 19.311 2.769 1.00 0.00 C ATOM 789 C GLN A 47 -22.733 18.520 2.953 1.00 0.00 C ATOM 790 O GLN A 47 -23.605 18.542 2.081 1.00 0.00 O ATOM 791 CB GLN A 47 -21.356 19.912 1.359 1.00 0.00 C ATOM 792 CG GLN A 47 -20.073 20.724 1.124 1.00 0.00 C ATOM 793 CD GLN A 47 -19.859 20.977 -0.363 1.00 0.00 C ATOM 794 OE1 GLN A 47 -19.876 22.111 -0.826 1.00 0.00 O ATOM 795 NE2 GLN A 47 -19.651 19.907 -1.120 1.00 0.00 N ATOM 0 H GLN A 47 -19.877 18.089 2.129 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.435 20.119 3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -21.411 19.109 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -22.221 20.554 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -20.136 21.674 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.217 20.187 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.644 18.978 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -19.498 20.014 -2.123 1.00 0.00 H new ATOM 804 N GLN A 48 -22.894 17.855 4.098 1.00 0.00 N ATOM 805 CA GLN A 48 -24.130 17.151 4.402 1.00 0.00 C ATOM 806 C GLN A 48 -25.199 18.186 4.772 1.00 0.00 C ATOM 807 O GLN A 48 -25.505 18.391 5.948 1.00 0.00 O ATOM 808 CB GLN A 48 -23.921 16.136 5.532 1.00 0.00 C ATOM 809 CG GLN A 48 -23.217 14.880 5.022 1.00 0.00 C ATOM 810 CD GLN A 48 -22.979 13.868 6.137 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.792 12.978 6.367 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.846 13.970 6.825 1.00 0.00 N ATOM 0 H GLN A 48 -22.182 17.792 4.826 1.00 0.00 H new ATOM 0 HA GLN A 48 -24.458 16.587 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.330 16.590 6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.884 15.866 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.818 14.421 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -22.263 15.156 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -21.187 14.719 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -21.636 13.299 7.564 1.00 0.00 H new ATOM 821 N LYS A 49 -25.737 18.871 3.761 1.00 0.00 N ATOM 822 CA LYS A 49 -26.778 19.872 3.933 1.00 0.00 C ATOM 823 C LYS A 49 -27.926 19.278 4.756 1.00 0.00 C ATOM 824 O LYS A 49 -28.330 18.139 4.531 1.00 0.00 O ATOM 825 CB LYS A 49 -27.266 20.373 2.567 1.00 0.00 C ATOM 826 CG LYS A 49 -26.177 21.160 1.822 1.00 0.00 C ATOM 827 CD LYS A 49 -26.570 21.453 0.368 1.00 0.00 C ATOM 828 CE LYS A 49 -27.829 22.323 0.260 1.00 0.00 C ATOM 829 NZ LYS A 49 -28.101 22.697 -1.138 1.00 0.00 N ATOM 0 H LYS A 49 -25.455 18.740 2.790 1.00 0.00 H new ATOM 0 HA LYS A 49 -26.376 20.730 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -27.580 19.524 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -28.142 21.007 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.989 22.099 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.246 20.594 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -25.742 21.954 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.737 20.512 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.683 21.782 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.705 23.223 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -28.958 23.285 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -27.295 23.233 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.243 21.837 -1.706 1.00 0.00 H new ATOM 843 N SER A 50 -28.413 20.043 5.736 1.00 0.00 N ATOM 844 CA SER A 50 -29.406 19.586 6.699 1.00 0.00 C ATOM 845 C SER A 50 -28.901 18.364 7.473 1.00 0.00 C ATOM 846 O SER A 50 -29.626 17.385 7.642 1.00 0.00 O ATOM 847 CB SER A 50 -30.748 19.323 6.005 1.00 0.00 C ATOM 848 OG SER A 50 -31.101 20.418 5.177 1.00 0.00 O ATOM 0 H SER A 50 -28.122 21.010 5.881 1.00 0.00 H new ATOM 0 HA SER A 50 -29.570 20.376 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 50 -30.683 18.414 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 50 -31.525 19.159 6.752 1.00 0.00 H new ATOM 0 HG SER A 50 -31.959 20.234 4.740 1.00 0.00 H new ATOM 854 N GLN A 51 -27.654 18.435 7.956 1.00 0.00 N ATOM 855 CA GLN A 51 -26.996 17.480 8.845 1.00 0.00 C ATOM 856 C GLN A 51 -26.615 16.166 8.151 1.00 0.00 C ATOM 857 O GLN A 51 -25.513 15.669 8.372 1.00 0.00 O ATOM 858 CB GLN A 51 -27.791 17.235 10.141 1.00 0.00 C ATOM 859 CG GLN A 51 -27.928 18.490 11.019 1.00 0.00 C ATOM 860 CD GLN A 51 -28.893 19.527 10.455 1.00 0.00 C ATOM 861 OE1 GLN A 51 -28.491 20.615 10.057 1.00 0.00 O ATOM 862 NE2 GLN A 51 -30.182 19.203 10.403 1.00 0.00 N ATOM 0 H GLN A 51 -27.041 19.214 7.718 1.00 0.00 H new ATOM 0 HA GLN A 51 -26.057 17.953 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -28.785 16.869 9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -27.301 16.450 10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -28.266 18.193 12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.946 18.948 11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -30.493 18.292 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -30.860 19.866 10.026 1.00 0.00 H new ATOM 871 N LYS A 52 -27.523 15.588 7.360 1.00 0.00 N ATOM 872 CA LYS A 52 -27.297 14.357 6.614 1.00 0.00 C ATOM 873 C LYS A 52 -27.527 14.603 5.122 1.00 0.00 C ATOM 874 O LYS A 52 -26.591 14.537 4.328 1.00 0.00 O ATOM 875 CB LYS A 52 -28.200 13.242 7.160 1.00 0.00 C ATOM 876 CG LYS A 52 -27.846 12.910 8.616 1.00 0.00 C ATOM 877 CD LYS A 52 -28.674 11.714 9.104 1.00 0.00 C ATOM 878 CE LYS A 52 -28.414 11.402 10.583 1.00 0.00 C ATOM 879 NZ LYS A 52 -27.011 11.018 10.829 1.00 0.00 N ATOM 0 H LYS A 52 -28.456 15.976 7.220 1.00 0.00 H new ATOM 0 HA LYS A 52 -26.263 14.034 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -29.243 13.551 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -28.094 12.349 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -26.783 12.683 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -28.036 13.776 9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -29.734 11.923 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -28.436 10.838 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -28.662 12.275 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -29.072 10.595 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.902 10.718 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -26.750 10.233 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -26.391 11.832 10.643 1.00 0.00 H new ATOM 893 N LYS A 53 -28.781 14.857 4.738 1.00 0.00 N ATOM 894 CA LYS A 53 -29.187 15.098 3.360 1.00 0.00 C ATOM 895 C LYS A 53 -30.271 16.175 3.371 1.00 0.00 C ATOM 896 O LYS A 53 -31.077 16.198 4.304 1.00 0.00 O ATOM 897 CB LYS A 53 -29.758 13.811 2.742 1.00 0.00 C ATOM 898 CG LYS A 53 -28.692 12.730 2.527 1.00 0.00 C ATOM 899 CD LYS A 53 -29.274 11.393 2.039 1.00 0.00 C ATOM 900 CE LYS A 53 -30.039 11.485 0.711 1.00 0.00 C ATOM 901 NZ LYS A 53 -31.467 11.808 0.900 1.00 0.00 N ATOM 0 H LYS A 53 -29.558 14.901 5.397 1.00 0.00 H new ATOM 0 HA LYS A 53 -28.328 15.417 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -30.541 13.418 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -30.225 14.049 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.962 13.088 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.157 12.566 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.461 10.675 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -29.944 11.000 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -29.578 12.247 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -29.952 10.537 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -32.041 11.237 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -31.744 11.597 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -31.623 12.818 0.706 1.00 0.00 H new ATOM 915 N PRO A 54 -30.339 17.037 2.343 1.00 0.00 N ATOM 916 CA PRO A 54 -31.371 18.050 2.209 1.00 0.00 C ATOM 917 C PRO A 54 -32.686 17.380 1.792 1.00 0.00 C ATOM 918 O PRO A 54 -33.142 17.525 0.660 1.00 0.00 O ATOM 919 CB PRO A 54 -30.828 19.023 1.158 1.00 0.00 C ATOM 920 CG PRO A 54 -29.987 18.121 0.254 1.00 0.00 C ATOM 921 CD PRO A 54 -29.411 17.091 1.224 1.00 0.00 C ATOM 0 HA PRO A 54 -31.593 18.583 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -31.632 19.510 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -30.228 19.812 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -30.593 17.650 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -29.201 18.680 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -29.316 16.115 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -28.414 17.382 1.556 1.00 0.00 H new ATOM 929 N GLU A 55 -33.282 16.613 2.709 1.00 0.00 N ATOM 930 CA GLU A 55 -34.448 15.780 2.446 1.00 0.00 C ATOM 931 C GLU A 55 -34.204 14.920 1.204 1.00 0.00 C ATOM 932 O GLU A 55 -33.366 14.018 1.231 1.00 0.00 O ATOM 933 CB GLU A 55 -35.704 16.657 2.329 1.00 0.00 C ATOM 934 CG GLU A 55 -36.990 15.822 2.313 1.00 0.00 C ATOM 935 CD GLU A 55 -38.221 16.719 2.238 1.00 0.00 C ATOM 936 OE1 GLU A 55 -38.593 17.074 1.098 1.00 0.00 O ATOM 937 OE2 GLU A 55 -38.759 17.040 3.319 1.00 0.00 O ATOM 0 H GLU A 55 -32.957 16.556 3.674 1.00 0.00 H new ATOM 0 HA GLU A 55 -34.615 15.097 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -35.737 17.356 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -35.647 17.252 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -36.977 15.144 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -37.039 15.205 3.210 1.00 0.00 H new TER 944 GLU A 55