USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 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 50 SER OG : rot -115:sc= 1.21 USER MOD Set 1.2: A 51 GLN : amide:sc= 0.139! C(o=1.3!,f=-10!) USER MOD Set 2.1: A 1 MET N :NH3+ -172:sc= 0.871 (180deg=-0.00657) USER MOD Set 2.2: A 3 SER OG : rot -138:sc= 0.959 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.231 K(o=0.23,f=-1.8) USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= 0.589 (180deg=0.076) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= -0.169 (180deg=-0.544) USER MOD Single : A 22 SER OG : rot 79:sc= 0.959 USER MOD Single : A 23 THR OG1 : rot -59:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0744) USER MOD Single : A 30 THR OG1 : rot 85:sc= 2.04 USER MOD Single : A 32 THR OG1 : rot 78:sc= 1.72 USER MOD Single : A 33 SER OG : rot -76:sc= 1.22 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.147 (180deg=-0.596) USER MOD Single : A 36 SER OG : rot 74:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.97 (180deg=0.962) USER MOD Single : A 44 ASN : amide:sc= 1.13 K(o=1.1,f=-0.011) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 46 MET CE :methyl -169:sc= -0.0163 (180deg=-0.299) USER MOD Single : A 47 GLN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.143 X(o=0.14,f=-0.0073) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.645 9.671 10.373 1.00 0.00 N ATOM 2 CA MET A 1 -16.776 10.321 9.407 1.00 0.00 C ATOM 3 C MET A 1 -15.584 9.414 9.115 1.00 0.00 C ATOM 4 O MET A 1 -15.268 9.151 7.958 1.00 0.00 O ATOM 5 CB MET A 1 -16.347 11.701 9.923 1.00 0.00 C ATOM 6 CG MET A 1 -15.381 12.413 8.960 1.00 0.00 C ATOM 7 SD MET A 1 -15.876 12.518 7.216 1.00 0.00 S ATOM 8 CE MET A 1 -17.406 13.465 7.354 1.00 0.00 C ATOM 0 H1 MET A 1 -18.523 10.219 10.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.872 8.711 10.045 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.163 9.617 11.293 1.00 0.00 H new ATOM 0 HA MET A 1 -17.310 10.486 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.231 12.321 10.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.869 11.590 10.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.223 13.427 9.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.419 11.903 9.008 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.833 13.613 6.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.116 12.921 7.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.195 14.434 7.806 1.00 0.00 H new ATOM 18 N ALA A 2 -14.947 8.887 10.163 1.00 0.00 N ATOM 19 CA ALA A 2 -13.943 7.841 10.003 1.00 0.00 C ATOM 20 C ALA A 2 -14.542 6.676 9.209 1.00 0.00 C ATOM 21 O ALA A 2 -13.892 6.117 8.330 1.00 0.00 O ATOM 22 CB ALA A 2 -13.428 7.392 11.369 1.00 0.00 C ATOM 0 H ALA A 2 -15.111 9.169 11.129 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.091 8.229 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.679 6.611 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.980 8.241 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.257 7.003 11.961 1.00 0.00 H new ATOM 28 N SER A 3 -15.807 6.356 9.496 1.00 0.00 N ATOM 29 CA SER A 3 -16.632 5.440 8.732 1.00 0.00 C ATOM 30 C SER A 3 -16.535 5.763 7.240 1.00 0.00 C ATOM 31 O SER A 3 -15.998 4.983 6.457 1.00 0.00 O ATOM 32 CB SER A 3 -18.071 5.611 9.232 1.00 0.00 C ATOM 33 OG SER A 3 -18.348 6.995 9.426 1.00 0.00 O ATOM 0 H SER A 3 -16.296 6.748 10.301 1.00 0.00 H new ATOM 0 HA SER A 3 -16.301 4.410 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.770 5.187 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.209 5.068 10.167 1.00 0.00 H new ATOM 0 HG SER A 3 -18.852 7.114 10.258 1.00 0.00 H new ATOM 39 N VAL A 4 -17.054 6.934 6.866 1.00 0.00 N ATOM 40 CA VAL A 4 -17.062 7.433 5.497 1.00 0.00 C ATOM 41 C VAL A 4 -15.668 7.297 4.878 1.00 0.00 C ATOM 42 O VAL A 4 -15.518 6.710 3.810 1.00 0.00 O ATOM 43 CB VAL A 4 -17.569 8.887 5.471 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.483 9.494 4.065 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.020 8.970 5.961 1.00 0.00 C ATOM 0 H VAL A 4 -17.491 7.576 7.528 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.745 6.836 4.893 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.923 9.456 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.850 10.520 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.446 9.487 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.092 8.907 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.355 10.007 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.657 8.366 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.081 8.596 6.983 1.00 0.00 H new ATOM 55 N LEU A 5 -14.642 7.826 5.547 1.00 0.00 N ATOM 56 CA LEU A 5 -13.272 7.782 5.058 1.00 0.00 C ATOM 57 C LEU A 5 -12.845 6.340 4.760 1.00 0.00 C ATOM 58 O LEU A 5 -12.357 6.058 3.667 1.00 0.00 O ATOM 59 CB LEU A 5 -12.336 8.473 6.062 1.00 0.00 C ATOM 60 CG LEU A 5 -12.594 9.988 6.174 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.912 10.551 7.425 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.064 10.744 4.952 1.00 0.00 C ATOM 0 H LEU A 5 -14.743 8.298 6.446 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.208 8.328 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.461 8.014 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.302 8.306 5.761 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.674 10.126 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.102 11.622 7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.310 10.056 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.838 10.376 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.265 11.809 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.989 10.585 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.560 10.377 4.054 1.00 0.00 H new ATOM 74 N GLU A 6 -13.056 5.419 5.703 1.00 0.00 N ATOM 75 CA GLU A 6 -12.744 4.010 5.494 1.00 0.00 C ATOM 76 C GLU A 6 -13.532 3.430 4.313 1.00 0.00 C ATOM 77 O GLU A 6 -12.966 2.709 3.497 1.00 0.00 O ATOM 78 CB GLU A 6 -12.988 3.211 6.781 1.00 0.00 C ATOM 79 CG GLU A 6 -11.951 3.537 7.866 1.00 0.00 C ATOM 80 CD GLU A 6 -10.554 3.054 7.487 1.00 0.00 C ATOM 81 OE1 GLU A 6 -10.354 1.822 7.523 1.00 0.00 O ATOM 82 OE2 GLU A 6 -9.718 3.923 7.156 1.00 0.00 O ATOM 0 H GLU A 6 -13.444 5.629 6.623 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.687 3.930 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.988 3.427 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.956 2.145 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.929 4.614 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.252 3.074 8.806 1.00 0.00 H new ATOM 89 N GLU A 7 -14.827 3.736 4.205 1.00 0.00 N ATOM 90 CA GLU A 7 -15.648 3.278 3.087 1.00 0.00 C ATOM 91 C GLU A 7 -15.049 3.750 1.755 1.00 0.00 C ATOM 92 O GLU A 7 -14.863 2.956 0.833 1.00 0.00 O ATOM 93 CB GLU A 7 -17.095 3.761 3.261 1.00 0.00 C ATOM 94 CG GLU A 7 -17.781 3.091 4.461 1.00 0.00 C ATOM 95 CD GLU A 7 -19.086 3.792 4.825 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.999 3.770 3.972 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.146 4.345 5.946 1.00 0.00 O ATOM 0 H GLU A 7 -15.331 4.304 4.886 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.659 2.188 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.103 4.843 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.661 3.548 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.982 2.045 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.109 3.104 5.319 1.00 0.00 H new ATOM 104 N LEU A 8 -14.732 5.044 1.652 1.00 0.00 N ATOM 105 CA LEU A 8 -14.114 5.608 0.458 1.00 0.00 C ATOM 106 C LEU A 8 -12.769 4.922 0.178 1.00 0.00 C ATOM 107 O LEU A 8 -12.491 4.548 -0.961 1.00 0.00 O ATOM 108 CB LEU A 8 -13.966 7.132 0.599 1.00 0.00 C ATOM 109 CG LEU A 8 -15.308 7.879 0.737 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.015 9.321 1.163 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.120 7.901 -0.563 1.00 0.00 C ATOM 0 H LEU A 8 -14.898 5.724 2.394 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.760 5.422 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.349 7.348 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.434 7.518 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.906 7.349 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.952 9.867 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.489 9.319 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.395 9.804 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.053 8.441 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.544 8.399 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.341 6.879 -0.871 1.00 0.00 H new ATOM 123 N GLN A 9 -11.943 4.724 1.213 1.00 0.00 N ATOM 124 CA GLN A 9 -10.678 4.008 1.088 1.00 0.00 C ATOM 125 C GLN A 9 -10.919 2.616 0.498 1.00 0.00 C ATOM 126 O GLN A 9 -10.277 2.249 -0.481 1.00 0.00 O ATOM 127 CB GLN A 9 -9.952 3.952 2.444 1.00 0.00 C ATOM 128 CG GLN A 9 -8.453 3.624 2.326 1.00 0.00 C ATOM 129 CD GLN A 9 -8.146 2.190 1.888 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.878 1.261 2.209 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.051 2.001 1.157 1.00 0.00 N ATOM 0 H GLN A 9 -12.137 5.057 2.157 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.025 4.546 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.067 4.911 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.431 3.202 3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.999 4.312 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.978 3.805 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.462 2.795 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.800 1.062 0.847 1.00 0.00 H new ATOM 140 N LYS A 10 -11.848 1.848 1.073 1.00 0.00 N ATOM 141 CA LYS A 10 -12.189 0.516 0.597 1.00 0.00 C ATOM 142 C LYS A 10 -12.600 0.571 -0.873 1.00 0.00 C ATOM 143 O LYS A 10 -12.124 -0.227 -1.681 1.00 0.00 O ATOM 144 CB LYS A 10 -13.277 -0.094 1.495 1.00 0.00 C ATOM 145 CG LYS A 10 -13.695 -1.514 1.075 1.00 0.00 C ATOM 146 CD LYS A 10 -14.913 -1.515 0.134 1.00 0.00 C ATOM 147 CE LYS A 10 -15.367 -2.941 -0.199 1.00 0.00 C ATOM 148 NZ LYS A 10 -14.405 -3.635 -1.073 1.00 0.00 N ATOM 0 H LYS A 10 -12.386 2.141 1.889 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.317 -0.135 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.916 -0.119 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.154 0.553 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.857 -2.005 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.927 -2.099 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.734 -0.971 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.663 -0.988 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.492 -3.507 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.341 -2.907 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.259 -4.605 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.777 -3.666 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.499 -3.125 -1.066 1.00 0.00 H new ATOM 162 N ASP A 11 -13.478 1.513 -1.230 1.00 0.00 N ATOM 163 CA ASP A 11 -13.899 1.690 -2.614 1.00 0.00 C ATOM 164 C ASP A 11 -12.682 1.924 -3.516 1.00 0.00 C ATOM 165 O ASP A 11 -12.548 1.290 -4.559 1.00 0.00 O ATOM 166 CB ASP A 11 -14.909 2.836 -2.728 1.00 0.00 C ATOM 167 CG ASP A 11 -15.523 2.876 -4.124 1.00 0.00 C ATOM 168 OD1 ASP A 11 -14.813 3.334 -5.045 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.689 2.440 -4.246 1.00 0.00 O ATOM 0 H ASP A 11 -13.909 2.164 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.394 0.779 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.695 2.710 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.416 3.784 -2.515 1.00 0.00 H new ATOM 174 N LEU A 12 -11.773 2.811 -3.107 1.00 0.00 N ATOM 175 CA LEU A 12 -10.552 3.067 -3.852 1.00 0.00 C ATOM 176 C LEU A 12 -9.723 1.785 -3.970 1.00 0.00 C ATOM 177 O LEU A 12 -9.262 1.449 -5.054 1.00 0.00 O ATOM 178 CB LEU A 12 -9.757 4.201 -3.193 1.00 0.00 C ATOM 179 CG LEU A 12 -8.637 4.723 -4.108 1.00 0.00 C ATOM 180 CD1 LEU A 12 -9.180 5.696 -5.163 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.582 5.434 -3.257 1.00 0.00 C ATOM 0 H LEU A 12 -11.867 3.365 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.808 3.387 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.432 5.019 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.325 3.846 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.196 3.872 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.361 6.045 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.920 5.187 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.645 6.548 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.785 5.806 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.042 6.270 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.166 4.733 -2.533 1.00 0.00 H new ATOM 193 N GLU A 13 -9.537 1.044 -2.876 1.00 0.00 N ATOM 194 CA GLU A 13 -8.819 -0.224 -2.888 1.00 0.00 C ATOM 195 C GLU A 13 -9.427 -1.150 -3.951 1.00 0.00 C ATOM 196 O GLU A 13 -8.723 -1.713 -4.789 1.00 0.00 O ATOM 197 CB GLU A 13 -8.861 -0.846 -1.481 1.00 0.00 C ATOM 198 CG GLU A 13 -7.710 -1.833 -1.243 1.00 0.00 C ATOM 199 CD GLU A 13 -6.370 -1.119 -1.085 1.00 0.00 C ATOM 200 OE1 GLU A 13 -6.241 -0.365 -0.093 1.00 0.00 O ATOM 201 OE2 GLU A 13 -5.503 -1.326 -1.960 1.00 0.00 O ATOM 0 H GLU A 13 -9.883 1.311 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.773 -0.067 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.816 -0.053 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.812 -1.361 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.915 -2.421 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.653 -2.532 -2.078 1.00 0.00 H new ATOM 208 N GLU A 14 -10.756 -1.267 -3.941 1.00 0.00 N ATOM 209 CA GLU A 14 -11.485 -2.009 -4.954 1.00 0.00 C ATOM 210 C GLU A 14 -11.179 -1.453 -6.350 1.00 0.00 C ATOM 211 O GLU A 14 -10.942 -2.226 -7.279 1.00 0.00 O ATOM 212 CB GLU A 14 -12.983 -1.995 -4.627 1.00 0.00 C ATOM 213 CG GLU A 14 -13.745 -3.062 -5.421 1.00 0.00 C ATOM 214 CD GLU A 14 -15.221 -3.081 -5.034 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.488 -3.372 -3.848 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.050 -2.798 -5.926 1.00 0.00 O ATOM 0 H GLU A 14 -11.351 -0.847 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.160 -3.050 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.124 -2.165 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.395 -1.011 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.648 -2.865 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.304 -4.042 -5.236 1.00 0.00 H new ATOM 223 N VAL A 15 -11.160 -0.123 -6.514 1.00 0.00 N ATOM 224 CA VAL A 15 -10.847 0.457 -7.809 1.00 0.00 C ATOM 225 C VAL A 15 -9.447 0.053 -8.253 1.00 0.00 C ATOM 226 O VAL A 15 -9.286 -0.322 -9.407 1.00 0.00 O ATOM 227 CB VAL A 15 -11.125 1.975 -7.904 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.886 2.887 -7.913 1.00 0.00 C ATOM 229 CG2 VAL A 15 -11.845 2.231 -9.232 1.00 0.00 C ATOM 0 H VAL A 15 -11.355 0.553 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.547 0.033 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.694 2.220 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.201 3.928 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.319 2.740 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.259 2.640 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.057 3.296 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.211 1.908 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.780 1.671 -9.253 1.00 0.00 H new ATOM 239 N LYS A 16 -8.447 0.081 -7.362 1.00 0.00 N ATOM 240 CA LYS A 16 -7.102 -0.390 -7.694 1.00 0.00 C ATOM 241 C LYS A 16 -7.174 -1.802 -8.280 1.00 0.00 C ATOM 242 O LYS A 16 -6.671 -2.049 -9.378 1.00 0.00 O ATOM 243 CB LYS A 16 -6.164 -0.350 -6.479 1.00 0.00 C ATOM 244 CG LYS A 16 -5.944 1.072 -5.953 1.00 0.00 C ATOM 245 CD LYS A 16 -5.068 1.018 -4.697 1.00 0.00 C ATOM 246 CE LYS A 16 -5.009 2.387 -4.012 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.212 2.329 -2.775 1.00 0.00 N ATOM 0 H LYS A 16 -8.547 0.425 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.684 0.285 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.580 -0.968 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.203 -0.786 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.466 1.685 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.902 1.539 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.465 0.277 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.061 0.697 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.575 3.119 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.019 2.725 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.189 3.270 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.641 1.647 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.242 2.029 -3.001 1.00 0.00 H new ATOM 261 N VAL A 17 -7.847 -2.714 -7.570 1.00 0.00 N ATOM 262 CA VAL A 17 -8.042 -4.077 -8.051 1.00 0.00 C ATOM 263 C VAL A 17 -8.684 -4.069 -9.445 1.00 0.00 C ATOM 264 O VAL A 17 -8.203 -4.760 -10.348 1.00 0.00 O ATOM 265 CB VAL A 17 -8.832 -4.908 -7.024 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.105 -6.321 -7.555 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.043 -5.039 -5.714 1.00 0.00 C ATOM 0 H VAL A 17 -8.265 -2.528 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.072 -4.563 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.775 -4.390 -6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.664 -6.888 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.686 -6.258 -8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.159 -6.823 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.618 -5.630 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.091 -5.533 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.859 -4.048 -5.299 1.00 0.00 H new ATOM 277 N LEU A 18 -9.748 -3.280 -9.647 1.00 0.00 N ATOM 278 CA LEU A 18 -10.330 -3.135 -10.976 1.00 0.00 C ATOM 279 C LEU A 18 -9.303 -2.644 -11.991 1.00 0.00 C ATOM 280 O LEU A 18 -9.283 -3.176 -13.096 1.00 0.00 O ATOM 281 CB LEU A 18 -11.550 -2.204 -11.022 1.00 0.00 C ATOM 282 CG LEU A 18 -12.863 -2.763 -10.457 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.973 -1.770 -10.826 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.232 -4.130 -11.050 1.00 0.00 C ATOM 0 H LEU A 18 -10.213 -2.742 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.666 -4.138 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.304 -1.293 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.721 -1.917 -12.060 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.746 -2.894 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.927 -2.131 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.751 -0.797 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.031 -1.676 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.169 -4.475 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.347 -4.039 -12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.442 -4.848 -10.828 1.00 0.00 H new ATOM 296 N LEU A 19 -8.488 -1.632 -11.676 1.00 0.00 N ATOM 297 CA LEU A 19 -7.510 -1.112 -12.627 1.00 0.00 C ATOM 298 C LEU A 19 -6.584 -2.250 -13.055 1.00 0.00 C ATOM 299 O LEU A 19 -6.369 -2.466 -14.245 1.00 0.00 O ATOM 300 CB LEU A 19 -6.660 0.040 -12.061 1.00 0.00 C ATOM 301 CG LEU A 19 -7.372 1.238 -11.408 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.403 2.425 -11.408 1.00 0.00 C ATOM 303 CD2 LEU A 19 -8.688 1.660 -12.066 1.00 0.00 C ATOM 0 H LEU A 19 -8.489 -1.160 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.068 -0.709 -13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.982 -0.384 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.044 0.425 -12.874 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.649 0.918 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.885 3.288 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.509 2.165 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.124 2.667 -12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.107 2.511 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.503 1.940 -13.103 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.393 0.829 -12.035 1.00 0.00 H new ATOM 315 N GLU A 20 -6.048 -2.974 -12.068 1.00 0.00 N ATOM 316 CA GLU A 20 -5.151 -4.095 -12.297 1.00 0.00 C ATOM 317 C GLU A 20 -5.799 -5.106 -13.250 1.00 0.00 C ATOM 318 O GLU A 20 -5.241 -5.407 -14.306 1.00 0.00 O ATOM 319 CB GLU A 20 -4.774 -4.742 -10.957 1.00 0.00 C ATOM 320 CG GLU A 20 -3.919 -3.810 -10.085 1.00 0.00 C ATOM 321 CD GLU A 20 -3.795 -4.345 -8.661 1.00 0.00 C ATOM 322 OE1 GLU A 20 -3.111 -5.380 -8.506 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.393 -3.721 -7.758 1.00 0.00 O ATOM 0 H GLU A 20 -6.230 -2.791 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.235 -3.738 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.682 -5.011 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.227 -5.667 -11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.927 -3.705 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.365 -2.816 -10.065 1.00 0.00 H new ATOM 330 N LYS A 21 -6.969 -5.634 -12.876 1.00 0.00 N ATOM 331 CA LYS A 21 -7.646 -6.650 -13.676 1.00 0.00 C ATOM 332 C LYS A 21 -8.032 -6.115 -15.059 1.00 0.00 C ATOM 333 O LYS A 21 -7.797 -6.763 -16.078 1.00 0.00 O ATOM 334 CB LYS A 21 -8.882 -7.172 -12.932 1.00 0.00 C ATOM 335 CG LYS A 21 -8.490 -8.036 -11.726 1.00 0.00 C ATOM 336 CD LYS A 21 -9.744 -8.648 -11.086 1.00 0.00 C ATOM 337 CE LYS A 21 -9.399 -9.793 -10.125 1.00 0.00 C ATOM 338 NZ LYS A 21 -8.546 -9.346 -9.011 1.00 0.00 N ATOM 0 H LYS A 21 -7.464 -5.372 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.951 -7.475 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.488 -6.331 -12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.499 -7.757 -13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.810 -8.827 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.957 -7.431 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.290 -7.874 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.406 -9.019 -11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.319 -10.221 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.891 -10.585 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.664 -9.897 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.324 -8.337 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.047 -9.489 -8.111 1.00 0.00 H new ATOM 352 N SER A 22 -8.642 -4.934 -15.104 1.00 0.00 N ATOM 353 CA SER A 22 -9.202 -4.345 -16.312 1.00 0.00 C ATOM 354 C SER A 22 -8.106 -3.637 -17.112 1.00 0.00 C ATOM 355 O SER A 22 -8.243 -2.466 -17.463 1.00 0.00 O ATOM 356 CB SER A 22 -10.344 -3.389 -15.937 1.00 0.00 C ATOM 357 OG SER A 22 -11.161 -3.948 -14.927 1.00 0.00 O ATOM 0 H SER A 22 -8.763 -4.347 -14.279 1.00 0.00 H new ATOM 0 HA SER A 22 -9.614 -5.129 -16.947 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.931 -2.441 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.947 -3.173 -16.819 1.00 0.00 H new ATOM 0 HG SER A 22 -10.723 -3.843 -14.057 1.00 0.00 H new ATOM 363 N THR A 23 -7.021 -4.354 -17.409 1.00 0.00 N ATOM 364 CA THR A 23 -5.808 -3.794 -17.985 1.00 0.00 C ATOM 365 C THR A 23 -6.041 -3.222 -19.391 1.00 0.00 C ATOM 366 O THR A 23 -5.286 -2.373 -19.862 1.00 0.00 O ATOM 367 CB THR A 23 -4.723 -4.885 -17.995 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.993 -5.874 -17.016 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.333 -4.294 -17.747 1.00 0.00 C ATOM 0 H THR A 23 -6.965 -5.360 -17.251 1.00 0.00 H new ATOM 0 HA THR A 23 -5.482 -2.954 -17.372 1.00 0.00 H new ATOM 0 HB THR A 23 -4.737 -5.343 -18.984 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.031 -5.456 -16.130 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.591 -5.092 -17.761 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.101 -3.569 -18.528 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.316 -3.799 -16.776 1.00 0.00 H new ATOM 377 N ARG A 24 -7.080 -3.688 -20.086 1.00 0.00 N ATOM 378 CA ARG A 24 -7.398 -3.225 -21.427 1.00 0.00 C ATOM 379 C ARG A 24 -8.061 -1.844 -21.371 1.00 0.00 C ATOM 380 O ARG A 24 -9.274 -1.735 -21.540 1.00 0.00 O ATOM 381 CB ARG A 24 -8.287 -4.258 -22.137 1.00 0.00 C ATOM 382 CG ARG A 24 -7.674 -5.665 -22.222 1.00 0.00 C ATOM 383 CD ARG A 24 -6.391 -5.708 -23.060 1.00 0.00 C ATOM 384 NE ARG A 24 -5.950 -7.095 -23.265 1.00 0.00 N ATOM 385 CZ ARG A 24 -4.903 -7.462 -24.016 1.00 0.00 C ATOM 386 NH1 ARG A 24 -4.147 -6.539 -24.622 1.00 0.00 N ATOM 387 NH2 ARG A 24 -4.616 -8.760 -24.160 1.00 0.00 N ATOM 0 H ARG A 24 -7.721 -4.397 -19.730 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.479 -3.121 -22.003 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.241 -4.321 -21.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.500 -3.905 -23.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.456 -6.022 -21.215 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.406 -6.349 -22.652 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.564 -5.230 -24.024 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.605 -5.142 -22.560 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.480 -7.833 -22.801 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.366 -5.549 -24.514 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.351 -6.826 -25.192 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.193 -9.464 -23.699 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.820 -9.046 -24.730 1.00 0.00 H new ATOM 401 N LYS A 25 -7.258 -0.801 -21.127 1.00 0.00 N ATOM 402 CA LYS A 25 -7.573 0.634 -21.140 1.00 0.00 C ATOM 403 C LYS A 25 -8.578 1.125 -20.082 1.00 0.00 C ATOM 404 O LYS A 25 -8.418 2.237 -19.573 1.00 0.00 O ATOM 405 CB LYS A 25 -7.858 1.177 -22.553 1.00 0.00 C ATOM 406 CG LYS A 25 -9.178 0.728 -23.195 1.00 0.00 C ATOM 407 CD LYS A 25 -9.484 1.595 -24.423 1.00 0.00 C ATOM 408 CE LYS A 25 -10.779 1.158 -25.120 1.00 0.00 C ATOM 409 NZ LYS A 25 -11.958 1.334 -24.254 1.00 0.00 N ATOM 0 H LYS A 25 -6.277 -0.955 -20.893 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.640 1.091 -20.809 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.850 2.266 -22.510 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.039 0.878 -23.207 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.112 -0.320 -23.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.990 0.807 -22.472 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.569 2.638 -24.119 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.654 1.534 -25.127 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.911 1.736 -26.035 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.698 0.111 -25.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.823 1.157 -24.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.909 0.663 -23.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.976 2.306 -23.885 1.00 0.00 H new ATOM 423 N ARG A 26 -9.584 0.309 -19.736 1.00 0.00 N ATOM 424 CA ARG A 26 -10.607 0.571 -18.727 1.00 0.00 C ATOM 425 C ARG A 26 -10.071 1.332 -17.520 1.00 0.00 C ATOM 426 O ARG A 26 -10.789 2.173 -16.983 1.00 0.00 O ATOM 427 CB ARG A 26 -11.219 -0.750 -18.232 1.00 0.00 C ATOM 428 CG ARG A 26 -12.460 -1.250 -18.983 1.00 0.00 C ATOM 429 CD ARG A 26 -13.594 -0.222 -19.112 1.00 0.00 C ATOM 430 NE ARG A 26 -13.871 0.442 -17.833 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.798 1.389 -17.638 1.00 0.00 C ATOM 432 NH1 ARG A 26 -15.598 1.780 -18.636 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.903 1.941 -16.428 1.00 0.00 N ATOM 0 H ARG A 26 -9.708 -0.601 -20.180 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.360 1.191 -19.214 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.452 -1.523 -18.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.480 -0.633 -17.180 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.160 -1.566 -19.982 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.845 -2.132 -18.472 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.325 0.525 -19.859 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.497 -0.718 -19.468 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.313 0.160 -17.028 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.506 1.356 -19.559 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.300 2.502 -18.474 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.285 1.640 -15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.602 2.664 -16.256 1.00 0.00 H new ATOM 447 N LEU A 27 -8.851 1.014 -17.070 1.00 0.00 N ATOM 448 CA LEU A 27 -8.171 1.697 -15.978 1.00 0.00 C ATOM 449 C LEU A 27 -8.475 3.197 -15.973 1.00 0.00 C ATOM 450 O LEU A 27 -8.898 3.737 -14.955 1.00 0.00 O ATOM 451 CB LEU A 27 -6.644 1.506 -16.006 1.00 0.00 C ATOM 452 CG LEU A 27 -6.155 0.113 -16.428 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.037 0.001 -17.958 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.759 -0.149 -15.851 1.00 0.00 C ATOM 0 H LEU A 27 -8.301 0.254 -17.470 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.559 1.237 -15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.217 2.242 -16.686 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.251 1.724 -15.013 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.882 -0.608 -16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.689 -0.997 -18.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.012 0.178 -18.412 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.327 0.743 -18.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.420 -1.139 -16.155 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.064 0.603 -16.224 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.799 -0.098 -14.763 1.00 0.00 H new ATOM 466 N ARG A 28 -8.267 3.856 -17.118 1.00 0.00 N ATOM 467 CA ARG A 28 -8.461 5.291 -17.270 1.00 0.00 C ATOM 468 C ARG A 28 -9.894 5.669 -16.891 1.00 0.00 C ATOM 469 O ARG A 28 -10.125 6.431 -15.948 1.00 0.00 O ATOM 470 CB ARG A 28 -8.094 5.677 -18.715 1.00 0.00 C ATOM 471 CG ARG A 28 -8.488 7.093 -19.168 1.00 0.00 C ATOM 472 CD ARG A 28 -8.154 8.203 -18.165 1.00 0.00 C ATOM 473 NE ARG A 28 -6.783 8.096 -17.653 1.00 0.00 N ATOM 474 CZ ARG A 28 -6.354 8.575 -16.476 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.186 9.184 -15.619 1.00 0.00 N ATOM 476 NH2 ARG A 28 -5.063 8.443 -16.153 1.00 0.00 N ATOM 0 H ARG A 28 -7.955 3.396 -17.973 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.812 5.851 -16.597 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.016 5.568 -18.834 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.563 4.960 -19.389 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.986 7.311 -20.111 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.560 7.111 -19.366 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.286 9.174 -18.643 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.855 8.160 -17.332 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.100 7.618 -18.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.172 9.292 -15.856 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.833 9.539 -14.730 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.420 7.983 -16.798 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.721 8.802 -15.262 1.00 0.00 H new ATOM 490 N ASP A 29 -10.853 5.124 -17.642 1.00 0.00 N ATOM 491 CA ASP A 29 -12.278 5.381 -17.479 1.00 0.00 C ATOM 492 C ASP A 29 -12.680 5.163 -16.022 1.00 0.00 C ATOM 493 O ASP A 29 -13.224 6.052 -15.365 1.00 0.00 O ATOM 494 CB ASP A 29 -13.074 4.438 -18.396 1.00 0.00 C ATOM 495 CG ASP A 29 -12.670 4.554 -19.861 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.557 4.076 -20.178 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.477 5.111 -20.635 1.00 0.00 O ATOM 0 H ASP A 29 -10.650 4.474 -18.401 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.496 6.414 -17.751 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.929 3.410 -18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.137 4.657 -18.299 1.00 0.00 H new ATOM 502 N THR A 30 -12.393 3.958 -15.532 1.00 0.00 N ATOM 503 CA THR A 30 -12.729 3.484 -14.202 1.00 0.00 C ATOM 504 C THR A 30 -12.173 4.443 -13.150 1.00 0.00 C ATOM 505 O THR A 30 -12.929 4.989 -12.348 1.00 0.00 O ATOM 506 CB THR A 30 -12.191 2.052 -14.034 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.596 1.257 -15.130 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.714 1.383 -12.767 1.00 0.00 C ATOM 0 H THR A 30 -11.896 3.257 -16.082 1.00 0.00 H new ATOM 0 HA THR A 30 -13.810 3.457 -14.066 1.00 0.00 H new ATOM 0 HB THR A 30 -11.105 2.130 -13.974 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.960 1.368 -15.867 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.306 0.375 -12.693 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.408 1.963 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.802 1.332 -12.805 1.00 0.00 H new ATOM 516 N LEU A 31 -10.855 4.664 -13.164 1.00 0.00 N ATOM 517 CA LEU A 31 -10.181 5.523 -12.205 1.00 0.00 C ATOM 518 C LEU A 31 -10.827 6.902 -12.214 1.00 0.00 C ATOM 519 O LEU A 31 -11.222 7.398 -11.165 1.00 0.00 O ATOM 520 CB LEU A 31 -8.678 5.582 -12.528 1.00 0.00 C ATOM 521 CG LEU A 31 -7.791 6.383 -11.556 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.825 7.897 -11.805 1.00 0.00 C ATOM 523 CD2 LEU A 31 -8.092 6.073 -10.084 1.00 0.00 C ATOM 0 H LEU A 31 -10.227 4.245 -13.850 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.283 5.118 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.299 4.561 -12.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.561 6.008 -13.525 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.777 6.045 -11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.178 8.399 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.475 8.107 -12.816 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.846 8.262 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.437 6.666 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.131 6.319 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.922 5.013 -9.893 1.00 0.00 H new ATOM 535 N THR A 32 -10.937 7.523 -13.390 1.00 0.00 N ATOM 536 CA THR A 32 -11.409 8.898 -13.487 1.00 0.00 C ATOM 537 C THR A 32 -12.848 9.015 -12.974 1.00 0.00 C ATOM 538 O THR A 32 -13.146 9.867 -12.134 1.00 0.00 O ATOM 539 CB THR A 32 -11.251 9.402 -14.929 1.00 0.00 C ATOM 540 OG1 THR A 32 -9.942 9.114 -15.376 1.00 0.00 O ATOM 541 CG2 THR A 32 -11.467 10.915 -15.020 1.00 0.00 C ATOM 0 H THR A 32 -10.705 7.093 -14.285 1.00 0.00 H new ATOM 0 HA THR A 32 -10.800 9.538 -12.848 1.00 0.00 H new ATOM 0 HB THR A 32 -11.998 8.903 -15.546 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.879 8.165 -15.613 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.348 11.238 -16.054 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.472 11.160 -14.677 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.735 11.425 -14.394 1.00 0.00 H new ATOM 549 N SER A 33 -13.744 8.158 -13.475 1.00 0.00 N ATOM 550 CA SER A 33 -15.142 8.176 -13.065 1.00 0.00 C ATOM 551 C SER A 33 -15.257 7.974 -11.552 1.00 0.00 C ATOM 552 O SER A 33 -15.865 8.790 -10.856 1.00 0.00 O ATOM 553 CB SER A 33 -15.943 7.129 -13.849 1.00 0.00 C ATOM 554 OG SER A 33 -15.392 5.836 -13.698 1.00 0.00 O ATOM 0 H SER A 33 -13.520 7.443 -14.167 1.00 0.00 H new ATOM 0 HA SER A 33 -15.569 9.152 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.977 7.128 -13.504 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.959 7.398 -14.905 1.00 0.00 H new ATOM 0 HG SER A 33 -14.587 5.757 -14.251 1.00 0.00 H new ATOM 560 N GLU A 34 -14.652 6.896 -11.044 1.00 0.00 N ATOM 561 CA GLU A 34 -14.708 6.578 -9.628 1.00 0.00 C ATOM 562 C GLU A 34 -14.144 7.739 -8.810 1.00 0.00 C ATOM 563 O GLU A 34 -14.815 8.233 -7.916 1.00 0.00 O ATOM 564 CB GLU A 34 -13.978 5.259 -9.345 1.00 0.00 C ATOM 565 CG GLU A 34 -14.263 4.742 -7.926 1.00 0.00 C ATOM 566 CD GLU A 34 -15.732 4.371 -7.737 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.109 3.289 -8.236 1.00 0.00 O ATOM 568 OE2 GLU A 34 -16.453 5.187 -7.124 1.00 0.00 O ATOM 0 H GLU A 34 -14.117 6.230 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.747 6.438 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.286 4.509 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.905 5.403 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.640 3.870 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.985 5.506 -7.199 1.00 0.00 H new ATOM 575 N LYS A 35 -12.930 8.197 -9.126 1.00 0.00 N ATOM 576 CA LYS A 35 -12.303 9.339 -8.474 1.00 0.00 C ATOM 577 C LYS A 35 -13.265 10.526 -8.420 1.00 0.00 C ATOM 578 O LYS A 35 -13.429 11.130 -7.362 1.00 0.00 O ATOM 579 CB LYS A 35 -10.991 9.702 -9.186 1.00 0.00 C ATOM 580 CG LYS A 35 -10.303 10.913 -8.536 1.00 0.00 C ATOM 581 CD LYS A 35 -8.920 11.201 -9.140 1.00 0.00 C ATOM 582 CE LYS A 35 -7.770 10.555 -8.354 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.879 9.089 -8.298 1.00 0.00 N ATOM 0 H LYS A 35 -12.351 7.776 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.062 9.070 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.317 8.846 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.195 9.920 -10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.937 11.792 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.198 10.735 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.897 10.839 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.765 12.279 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.821 10.828 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.758 10.954 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.958 8.682 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.589 8.821 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.167 8.726 -9.229 1.00 0.00 H new ATOM 597 N SER A 36 -13.904 10.862 -9.543 1.00 0.00 N ATOM 598 CA SER A 36 -14.872 11.950 -9.574 1.00 0.00 C ATOM 599 C SER A 36 -15.968 11.729 -8.526 1.00 0.00 C ATOM 600 O SER A 36 -16.207 12.603 -7.692 1.00 0.00 O ATOM 601 CB SER A 36 -15.451 12.121 -10.983 1.00 0.00 C ATOM 602 OG SER A 36 -14.409 12.322 -11.917 1.00 0.00 O ATOM 0 H SER A 36 -13.766 10.395 -10.439 1.00 0.00 H new ATOM 0 HA SER A 36 -14.362 12.879 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.029 11.238 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.136 12.969 -11.003 1.00 0.00 H new ATOM 0 HG SER A 36 -13.945 11.474 -12.077 1.00 0.00 H new ATOM 608 N LYS A 37 -16.623 10.564 -8.547 1.00 0.00 N ATOM 609 CA LYS A 37 -17.644 10.219 -7.560 1.00 0.00 C ATOM 610 C LYS A 37 -17.098 10.333 -6.133 1.00 0.00 C ATOM 611 O LYS A 37 -17.679 11.039 -5.311 1.00 0.00 O ATOM 612 CB LYS A 37 -18.208 8.816 -7.827 1.00 0.00 C ATOM 613 CG LYS A 37 -18.945 8.685 -9.169 1.00 0.00 C ATOM 614 CD LYS A 37 -20.138 9.637 -9.350 1.00 0.00 C ATOM 615 CE LYS A 37 -21.176 9.501 -8.228 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.364 10.330 -8.495 1.00 0.00 N ATOM 0 H LYS A 37 -16.460 9.839 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.460 10.935 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.390 8.096 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.892 8.551 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.234 8.861 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.299 7.659 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.776 10.665 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.616 9.436 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.473 8.457 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.729 9.797 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.048 10.217 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.082 11.329 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.803 10.030 -9.389 1.00 0.00 H new ATOM 630 N ILE A 38 -15.980 9.666 -5.841 1.00 0.00 N ATOM 631 CA ILE A 38 -15.318 9.680 -4.541 1.00 0.00 C ATOM 632 C ILE A 38 -15.141 11.120 -4.059 1.00 0.00 C ATOM 633 O ILE A 38 -15.577 11.459 -2.961 1.00 0.00 O ATOM 634 CB ILE A 38 -13.969 8.934 -4.630 1.00 0.00 C ATOM 635 CG1 ILE A 38 -14.149 7.427 -4.881 1.00 0.00 C ATOM 636 CG2 ILE A 38 -13.079 9.161 -3.399 1.00 0.00 C ATOM 637 CD1 ILE A 38 -14.644 6.637 -3.670 1.00 0.00 C ATOM 0 H ILE A 38 -15.498 9.084 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.937 9.161 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.460 9.366 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.854 7.290 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.196 7.009 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.145 8.612 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.864 10.225 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.595 8.808 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.742 5.585 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.930 6.739 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.613 7.023 -3.355 1.00 0.00 H new ATOM 649 N GLU A 39 -14.512 11.967 -4.877 1.00 0.00 N ATOM 650 CA GLU A 39 -14.275 13.365 -4.546 1.00 0.00 C ATOM 651 C GLU A 39 -15.597 14.098 -4.304 1.00 0.00 C ATOM 652 O GLU A 39 -15.741 14.796 -3.302 1.00 0.00 O ATOM 653 CB GLU A 39 -13.453 14.018 -5.664 1.00 0.00 C ATOM 654 CG GLU A 39 -12.010 13.487 -5.651 1.00 0.00 C ATOM 655 CD GLU A 39 -11.178 13.973 -6.836 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.764 14.607 -7.740 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.961 13.686 -6.820 1.00 0.00 O ATOM 0 H GLU A 39 -14.152 11.696 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.705 13.429 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.914 13.812 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.450 15.101 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.525 13.795 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.031 12.397 -5.653 1.00 0.00 H new ATOM 664 N THR A 40 -16.564 13.933 -5.207 1.00 0.00 N ATOM 665 CA THR A 40 -17.882 14.552 -5.095 1.00 0.00 C ATOM 666 C THR A 40 -18.531 14.207 -3.746 1.00 0.00 C ATOM 667 O THR A 40 -18.964 15.097 -3.009 1.00 0.00 O ATOM 668 CB THR A 40 -18.743 14.113 -6.292 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.127 14.520 -7.497 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.146 14.716 -6.274 1.00 0.00 C ATOM 0 H THR A 40 -16.452 13.360 -6.044 1.00 0.00 H new ATOM 0 HA THR A 40 -17.789 15.638 -5.122 1.00 0.00 H new ATOM 0 HB THR A 40 -18.829 13.029 -6.222 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.410 13.892 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.703 14.368 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.663 14.408 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.075 15.803 -6.300 1.00 0.00 H new ATOM 678 N GLU A 41 -18.594 12.912 -3.427 1.00 0.00 N ATOM 679 CA GLU A 41 -19.155 12.409 -2.184 1.00 0.00 C ATOM 680 C GLU A 41 -18.385 12.980 -0.994 1.00 0.00 C ATOM 681 O GLU A 41 -18.981 13.599 -0.117 1.00 0.00 O ATOM 682 CB GLU A 41 -19.118 10.874 -2.189 1.00 0.00 C ATOM 683 CG GLU A 41 -20.126 10.297 -3.192 1.00 0.00 C ATOM 684 CD GLU A 41 -20.005 8.779 -3.278 1.00 0.00 C ATOM 685 OE1 GLU A 41 -20.691 8.112 -2.473 1.00 0.00 O ATOM 686 OE2 GLU A 41 -19.221 8.317 -4.136 1.00 0.00 O ATOM 0 H GLU A 41 -18.248 12.175 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 41 -20.194 12.727 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.114 10.533 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.340 10.499 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.138 10.568 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.957 10.735 -4.176 1.00 0.00 H new ATOM 693 N LEU A 42 -17.066 12.776 -0.970 1.00 0.00 N ATOM 694 CA LEU A 42 -16.182 13.252 0.087 1.00 0.00 C ATOM 695 C LEU A 42 -16.430 14.736 0.370 1.00 0.00 C ATOM 696 O LEU A 42 -16.637 15.122 1.519 1.00 0.00 O ATOM 697 CB LEU A 42 -14.727 12.959 -0.317 1.00 0.00 C ATOM 698 CG LEU A 42 -13.663 13.518 0.639 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.824 12.978 2.065 1.00 0.00 C ATOM 700 CD2 LEU A 42 -12.273 13.146 0.112 1.00 0.00 C ATOM 0 H LEU A 42 -16.576 12.263 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 42 -16.388 12.727 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.597 11.879 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.552 13.370 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.786 14.600 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.049 13.402 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.805 13.256 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.733 11.892 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.511 13.539 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.183 12.061 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.134 13.573 -0.881 1.00 0.00 H new ATOM 712 N LYS A 43 -16.436 15.563 -0.680 1.00 0.00 N ATOM 713 CA LYS A 43 -16.763 16.974 -0.564 1.00 0.00 C ATOM 714 C LYS A 43 -18.126 17.126 0.104 1.00 0.00 C ATOM 715 O LYS A 43 -18.214 17.685 1.196 1.00 0.00 O ATOM 716 CB LYS A 43 -16.711 17.646 -1.949 1.00 0.00 C ATOM 717 CG LYS A 43 -16.875 19.177 -1.930 1.00 0.00 C ATOM 718 CD LYS A 43 -18.319 19.663 -1.715 1.00 0.00 C ATOM 719 CE LYS A 43 -18.399 21.188 -1.785 1.00 0.00 C ATOM 720 NZ LYS A 43 -19.751 21.661 -1.437 1.00 0.00 N ATOM 0 H LYS A 43 -16.214 15.266 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.028 17.478 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.759 17.402 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.495 17.218 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.246 19.587 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.506 19.581 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.970 19.226 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.682 19.320 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.670 21.626 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.139 21.524 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.767 22.701 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.435 21.301 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.007 21.316 -0.490 1.00 0.00 H new ATOM 734 N ASN A 44 -19.189 16.660 -0.560 1.00 0.00 N ATOM 735 CA ASN A 44 -20.562 16.932 -0.139 1.00 0.00 C ATOM 736 C ASN A 44 -20.826 16.473 1.291 1.00 0.00 C ATOM 737 O ASN A 44 -21.555 17.134 2.024 1.00 0.00 O ATOM 738 CB ASN A 44 -21.576 16.309 -1.110 1.00 0.00 C ATOM 739 CG ASN A 44 -21.797 17.190 -2.337 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.765 17.941 -2.405 1.00 0.00 O ATOM 741 ND2 ASN A 44 -20.904 17.117 -3.318 1.00 0.00 N ATOM 0 H ASN A 44 -19.120 16.086 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.691 18.014 -0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.222 15.328 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.525 16.156 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.014 17.694 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.108 16.484 -3.237 1.00 0.00 H new ATOM 748 N LYS A 45 -20.247 15.343 1.699 1.00 0.00 N ATOM 749 CA LYS A 45 -20.415 14.832 3.049 1.00 0.00 C ATOM 750 C LYS A 45 -19.778 15.758 4.093 1.00 0.00 C ATOM 751 O LYS A 45 -20.293 15.847 5.206 1.00 0.00 O ATOM 752 CB LYS A 45 -19.876 13.398 3.132 1.00 0.00 C ATOM 753 CG LYS A 45 -20.785 12.445 2.342 1.00 0.00 C ATOM 754 CD LYS A 45 -20.198 11.030 2.309 1.00 0.00 C ATOM 755 CE LYS A 45 -21.054 10.074 1.468 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.374 9.836 2.079 1.00 0.00 N ATOM 0 H LYS A 45 -19.654 14.764 1.104 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.479 14.807 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.862 13.359 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.822 13.081 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.776 12.421 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.909 12.815 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.188 11.066 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.118 10.646 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.186 10.489 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.531 9.125 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.882 9.109 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.249 9.512 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.924 10.719 2.073 1.00 0.00 H new ATOM 770 N MET A 46 -18.672 16.438 3.768 1.00 0.00 N ATOM 771 CA MET A 46 -18.028 17.363 4.697 1.00 0.00 C ATOM 772 C MET A 46 -18.600 18.769 4.502 1.00 0.00 C ATOM 773 O MET A 46 -19.290 19.317 5.359 1.00 0.00 O ATOM 774 CB MET A 46 -16.507 17.353 4.478 1.00 0.00 C ATOM 775 CG MET A 46 -15.888 15.990 4.807 1.00 0.00 C ATOM 776 SD MET A 46 -14.076 15.946 4.823 1.00 0.00 S ATOM 777 CE MET A 46 -13.705 16.576 3.172 1.00 0.00 C ATOM 0 H MET A 46 -18.206 16.362 2.864 1.00 0.00 H new ATOM 0 HA MET A 46 -18.226 17.048 5.721 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.288 17.610 3.441 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.046 18.120 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.251 15.671 5.784 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.246 15.262 4.080 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.647 16.427 2.955 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.305 16.042 2.435 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.939 17.640 3.128 1.00 0.00 H new ATOM 787 N GLN A 47 -18.296 19.355 3.346 1.00 0.00 N ATOM 788 CA GLN A 47 -18.738 20.675 2.945 1.00 0.00 C ATOM 789 C GLN A 47 -20.160 20.544 2.404 1.00 0.00 C ATOM 790 O GLN A 47 -20.394 20.657 1.200 1.00 0.00 O ATOM 791 CB GLN A 47 -17.751 21.238 1.916 1.00 0.00 C ATOM 792 CG GLN A 47 -16.394 21.535 2.568 1.00 0.00 C ATOM 793 CD GLN A 47 -15.324 21.826 1.523 1.00 0.00 C ATOM 794 OE1 GLN A 47 -14.912 22.966 1.334 1.00 0.00 O ATOM 795 NE2 GLN A 47 -14.860 20.788 0.835 1.00 0.00 N ATOM 0 H GLN A 47 -17.714 18.901 2.642 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.758 21.376 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.620 20.524 1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.156 22.150 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.491 22.389 3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.088 20.684 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.224 19.852 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.140 20.927 0.126 1.00 0.00 H new ATOM 804 N GLN A 48 -21.096 20.288 3.321 1.00 0.00 N ATOM 805 CA GLN A 48 -22.515 20.188 3.021 1.00 0.00 C ATOM 806 C GLN A 48 -22.990 21.459 2.314 1.00 0.00 C ATOM 807 O GLN A 48 -22.504 22.553 2.594 1.00 0.00 O ATOM 808 CB GLN A 48 -23.314 19.930 4.310 1.00 0.00 C ATOM 809 CG GLN A 48 -22.838 18.653 5.016 1.00 0.00 C ATOM 810 CD GLN A 48 -23.775 18.198 6.129 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.285 17.083 6.095 1.00 0.00 O ATOM 812 NE2 GLN A 48 -24.026 19.031 7.136 1.00 0.00 N ATOM 0 H GLN A 48 -20.879 20.143 4.307 1.00 0.00 H new ATOM 0 HA GLN A 48 -22.683 19.345 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.208 20.781 4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.374 19.843 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.742 17.854 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.845 18.824 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.596 19.956 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.649 18.745 7.891 1.00 0.00 H new ATOM 821 N LYS A 49 -23.950 21.331 1.395 1.00 0.00 N ATOM 822 CA LYS A 49 -24.484 22.467 0.653 1.00 0.00 C ATOM 823 C LYS A 49 -25.539 23.194 1.497 1.00 0.00 C ATOM 824 O LYS A 49 -26.673 23.373 1.061 1.00 0.00 O ATOM 825 CB LYS A 49 -25.024 21.994 -0.704 1.00 0.00 C ATOM 826 CG LYS A 49 -23.923 21.297 -1.517 1.00 0.00 C ATOM 827 CD LYS A 49 -24.379 20.936 -2.938 1.00 0.00 C ATOM 828 CE LYS A 49 -25.514 19.903 -2.938 1.00 0.00 C ATOM 829 NZ LYS A 49 -25.813 19.439 -4.304 1.00 0.00 N ATOM 0 H LYS A 49 -24.376 20.438 1.147 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.693 23.188 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.857 21.309 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.411 22.846 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -23.051 21.948 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.611 20.391 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -24.711 21.838 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.532 20.543 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -25.235 19.053 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -26.409 20.342 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.584 18.742 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -26.102 20.248 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -24.965 18.999 -4.715 1.00 0.00 H new ATOM 843 N SER A 50 -25.135 23.595 2.705 1.00 0.00 N ATOM 844 CA SER A 50 -25.837 24.310 3.764 1.00 0.00 C ATOM 845 C SER A 50 -25.081 23.964 5.052 1.00 0.00 C ATOM 846 O SER A 50 -24.041 23.311 4.997 1.00 0.00 O ATOM 847 CB SER A 50 -27.332 23.954 3.877 1.00 0.00 C ATOM 848 OG SER A 50 -27.944 24.805 4.833 1.00 0.00 O ATOM 0 H SER A 50 -24.178 23.396 2.997 1.00 0.00 H new ATOM 0 HA SER A 50 -25.842 25.379 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 -27.819 24.066 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 50 -27.448 22.912 4.173 1.00 0.00 H new ATOM 0 HG SER A 50 -28.252 24.272 5.595 1.00 0.00 H new ATOM 854 N GLN A 51 -25.598 24.375 6.210 1.00 0.00 N ATOM 855 CA GLN A 51 -25.039 23.945 7.487 1.00 0.00 C ATOM 856 C GLN A 51 -25.292 22.444 7.688 1.00 0.00 C ATOM 857 O GLN A 51 -24.348 21.680 7.890 1.00 0.00 O ATOM 858 CB GLN A 51 -25.481 24.843 8.662 1.00 0.00 C ATOM 859 CG GLN A 51 -26.945 24.744 9.121 1.00 0.00 C ATOM 860 CD GLN A 51 -27.918 25.059 7.995 1.00 0.00 C ATOM 861 OE1 GLN A 51 -28.452 24.150 7.367 1.00 0.00 O ATOM 862 NE2 GLN A 51 -28.098 26.332 7.668 1.00 0.00 N ATOM 0 H GLN A 51 -26.399 25.002 6.288 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.957 24.076 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.845 24.615 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -25.285 25.879 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -27.140 23.740 9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -27.113 25.433 9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -27.641 27.067 8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -28.693 26.576 6.876 1.00 0.00 H new ATOM 871 N LYS A 52 -26.558 22.018 7.603 1.00 0.00 N ATOM 872 CA LYS A 52 -26.924 20.610 7.661 1.00 0.00 C ATOM 873 C LYS A 52 -26.895 19.994 6.257 1.00 0.00 C ATOM 874 O LYS A 52 -26.663 20.686 5.265 1.00 0.00 O ATOM 875 CB LYS A 52 -28.283 20.425 8.362 1.00 0.00 C ATOM 876 CG LYS A 52 -29.488 20.894 7.534 1.00 0.00 C ATOM 877 CD LYS A 52 -30.802 20.407 8.157 1.00 0.00 C ATOM 878 CE LYS A 52 -31.980 20.659 7.208 1.00 0.00 C ATOM 879 NZ LYS A 52 -31.944 19.758 6.038 1.00 0.00 N ATOM 0 H LYS A 52 -27.354 22.646 7.492 1.00 0.00 H new ATOM 0 HA LYS A 52 -26.189 20.075 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -28.413 19.371 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -28.270 20.971 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -29.491 21.982 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -29.403 20.518 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -30.731 19.343 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -30.974 20.921 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -32.917 20.518 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -31.959 21.695 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -32.706 20.015 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -31.026 19.849 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -32.075 18.775 6.352 1.00 0.00 H new ATOM 893 N LYS A 53 -27.187 18.694 6.175 1.00 0.00 N ATOM 894 CA LYS A 53 -27.339 17.976 4.920 1.00 0.00 C ATOM 895 C LYS A 53 -28.387 18.682 4.044 1.00 0.00 C ATOM 896 O LYS A 53 -29.452 19.043 4.552 1.00 0.00 O ATOM 897 CB LYS A 53 -27.756 16.535 5.251 1.00 0.00 C ATOM 898 CG LYS A 53 -27.878 15.631 4.017 1.00 0.00 C ATOM 899 CD LYS A 53 -28.299 14.222 4.451 1.00 0.00 C ATOM 900 CE LYS A 53 -28.478 13.313 3.231 1.00 0.00 C ATOM 901 NZ LYS A 53 -28.887 11.956 3.631 1.00 0.00 N ATOM 0 H LYS A 53 -27.326 18.106 6.997 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.404 17.959 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -27.027 16.103 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.713 16.553 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -28.611 16.043 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -26.926 15.590 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.546 13.801 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -29.231 14.272 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -29.227 13.739 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -27.544 13.264 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -29.000 11.364 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -28.160 11.542 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.790 12.003 4.144 1.00 0.00 H new ATOM 915 N PRO A 54 -28.135 18.874 2.739 1.00 0.00 N ATOM 916 CA PRO A 54 -29.078 19.513 1.829 1.00 0.00 C ATOM 917 C PRO A 54 -30.226 18.554 1.486 1.00 0.00 C ATOM 918 O PRO A 54 -30.387 18.128 0.344 1.00 0.00 O ATOM 919 CB PRO A 54 -28.236 19.902 0.608 1.00 0.00 C ATOM 920 CG PRO A 54 -27.172 18.803 0.570 1.00 0.00 C ATOM 921 CD PRO A 54 -26.893 18.561 2.051 1.00 0.00 C ATOM 0 HA PRO A 54 -29.563 20.390 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -28.831 19.921 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -27.793 20.891 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -27.536 17.903 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -26.277 19.123 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -26.595 17.528 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -26.079 19.193 2.405 1.00 0.00 H new ATOM 929 N GLU A 55 -31.040 18.203 2.484 1.00 0.00 N ATOM 930 CA GLU A 55 -32.163 17.294 2.313 1.00 0.00 C ATOM 931 C GLU A 55 -33.180 17.905 1.345 1.00 0.00 C ATOM 932 O GLU A 55 -34.183 18.476 1.769 1.00 0.00 O ATOM 933 CB GLU A 55 -32.783 16.976 3.683 1.00 0.00 C ATOM 934 CG GLU A 55 -31.782 16.258 4.599 1.00 0.00 C ATOM 935 CD GLU A 55 -32.371 16.002 5.981 1.00 0.00 C ATOM 936 OE1 GLU A 55 -32.421 16.979 6.761 1.00 0.00 O ATOM 937 OE2 GLU A 55 -32.756 14.841 6.230 1.00 0.00 O ATOM 0 H GLU A 55 -30.933 18.547 3.438 1.00 0.00 H new ATOM 0 HA GLU A 55 -31.823 16.354 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -33.114 17.900 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -33.667 16.352 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -31.488 15.311 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -30.878 16.860 4.694 1.00 0.00 H new TER 944 GLU A 55