USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 18 GLN : amide:sc= -0.0374 K(o=-9.6,f=-10) USER MOD Set 1.2: A 38 CYS SG : rot -130:sc= -9.56! USER MOD Set 2.1: A 9 SER OG : rot 104:sc= 0.812 USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -1.83! F(o=-2,f=-1!) USER MOD Single : A 0 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.159 USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0288) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.998 (180deg=-2.04!) USER MOD Single : A 24 GLN : amide:sc= -3.35! C(o=-3.4!,f=-3.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.184 F(o=-1.3,f=-0.18) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.225 (180deg=-1.36!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.33 (180deg=-2.04!) USER MOD Single : A 41 THR OG1 : rot 160:sc= -2.23 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0915 X(o=-0.091,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.013 (180deg=-0.433) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 15.742 18.178 1.882 1.00 0.00 N ATOM 2 CA LYS A -3 14.708 17.222 1.407 1.00 0.00 C ATOM 3 C LYS A -3 15.213 15.784 1.481 1.00 0.00 C ATOM 4 O LYS A -3 16.373 15.507 1.179 1.00 0.00 O ATOM 5 CB LYS A -3 14.338 17.580 -0.034 1.00 0.00 C ATOM 6 CG LYS A -3 12.874 17.341 -0.364 1.00 0.00 C ATOM 7 CD LYS A -3 12.021 18.552 -0.024 1.00 0.00 C ATOM 8 CE LYS A -3 10.923 18.767 -1.052 1.00 0.00 C ATOM 9 NZ LYS A -3 11.297 19.801 -2.057 1.00 0.00 N ATOM 0 H1 LYS A -3 15.372 19.148 1.821 1.00 0.00 H new ATOM 0 H2 LYS A -3 15.987 17.962 2.870 1.00 0.00 H new ATOM 0 H3 LYS A -3 16.592 18.094 1.288 1.00 0.00 H new ATOM 0 HA LYS A -3 13.830 17.295 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A -3 14.575 18.629 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A -3 14.956 16.994 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A -3 12.772 17.109 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A -3 12.512 16.474 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A -3 11.576 18.420 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A -3 12.652 19.440 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A -3 10.713 17.826 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A -3 10.006 19.068 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 10.522 19.918 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 11.473 20.706 -1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 12.158 19.502 -2.558 1.00 0.00 H new ATOM 25 N LYS A -2 14.332 14.873 1.883 1.00 0.00 N ATOM 26 CA LYS A -2 14.689 13.465 1.998 1.00 0.00 C ATOM 27 C LYS A -2 14.687 12.789 0.630 1.00 0.00 C ATOM 28 O LYS A -2 13.689 12.828 -0.089 1.00 0.00 O ATOM 29 CB LYS A -2 13.714 12.746 2.933 1.00 0.00 C ATOM 30 CG LYS A -2 14.309 11.519 3.606 1.00 0.00 C ATOM 31 CD LYS A -2 13.720 11.302 4.990 1.00 0.00 C ATOM 32 CE LYS A -2 14.208 10.000 5.606 1.00 0.00 C ATOM 33 NZ LYS A -2 15.242 10.234 6.652 1.00 0.00 N ATOM 0 H LYS A -2 13.367 15.085 2.134 1.00 0.00 H new ATOM 0 HA LYS A -2 15.695 13.404 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A -2 13.378 13.444 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A -2 12.833 12.447 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A -2 14.125 10.639 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.390 11.634 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A -2 13.992 12.136 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A -2 12.632 11.290 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A -2 13.364 9.466 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A -2 14.620 9.361 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 15.549 9.322 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 16.059 10.721 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 14.842 10.823 7.410 1.00 0.00 H new ATOM 47 N GLU A -1 15.814 12.168 0.281 1.00 0.00 N ATOM 48 CA GLU A -1 15.958 11.476 -1.002 1.00 0.00 C ATOM 49 C GLU A -1 15.369 12.296 -2.149 1.00 0.00 C ATOM 50 O GLU A -1 14.173 12.226 -2.428 1.00 0.00 O ATOM 51 CB GLU A -1 15.290 10.097 -0.944 1.00 0.00 C ATOM 52 CG GLU A -1 13.876 10.119 -0.387 1.00 0.00 C ATOM 53 CD GLU A -1 13.210 8.758 -0.432 1.00 0.00 C ATOM 54 OE1 GLU A -1 13.913 7.746 -0.226 1.00 0.00 O ATOM 55 OE2 GLU A -1 11.987 8.703 -0.674 1.00 0.00 O ATOM 0 H GLU A -1 16.645 12.130 0.872 1.00 0.00 H new ATOM 0 HA GLU A -1 17.024 11.349 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A -1 15.268 9.673 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A -1 15.901 9.434 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A -1 13.901 10.473 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A -1 13.277 10.831 -0.954 1.00 0.00 H new ATOM 62 N LYS A 0 16.220 13.075 -2.809 1.00 0.00 N ATOM 63 CA LYS A 0 15.786 13.912 -3.922 1.00 0.00 C ATOM 64 C LYS A 0 15.734 13.120 -5.226 1.00 0.00 C ATOM 65 O LYS A 0 14.946 13.432 -6.119 1.00 0.00 O ATOM 66 CB LYS A 0 16.724 15.111 -4.078 1.00 0.00 C ATOM 67 CG LYS A 0 16.143 16.411 -3.542 1.00 0.00 C ATOM 68 CD LYS A 0 16.512 17.593 -4.424 1.00 0.00 C ATOM 69 CE LYS A 0 15.327 18.520 -4.639 1.00 0.00 C ATOM 70 NZ LYS A 0 14.558 18.163 -5.862 1.00 0.00 N ATOM 0 H LYS A 0 17.214 13.144 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 0 14.780 14.267 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 0 17.660 14.900 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 0 16.965 15.238 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 0 15.058 16.327 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 0 16.508 16.583 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 0 17.331 18.148 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 0 16.871 17.231 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 0 14.669 18.476 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 0 15.680 19.548 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 13.758 18.819 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 15.178 18.230 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 14.199 17.191 -5.775 1.00 0.00 H new ATOM 84 N SER A 1 16.579 12.098 -5.334 1.00 0.00 N ATOM 85 CA SER A 1 16.626 11.271 -6.537 1.00 0.00 C ATOM 86 C SER A 1 15.236 10.745 -6.898 1.00 0.00 C ATOM 87 O SER A 1 14.772 10.926 -8.024 1.00 0.00 O ATOM 88 CB SER A 1 17.600 10.105 -6.350 1.00 0.00 C ATOM 89 OG SER A 1 18.404 10.288 -5.197 1.00 0.00 O ATOM 0 H SER A 1 17.238 11.823 -4.606 1.00 0.00 H new ATOM 0 HA SER A 1 16.979 11.895 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.042 9.172 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.237 10.015 -7.230 1.00 0.00 H new ATOM 0 HG SER A 1 19.015 9.528 -5.101 1.00 0.00 H new ATOM 95 N PRO A 2 14.548 10.088 -5.947 1.00 0.00 N ATOM 96 CA PRO A 2 13.206 9.544 -6.179 1.00 0.00 C ATOM 97 C PRO A 2 12.183 10.641 -6.458 1.00 0.00 C ATOM 98 O PRO A 2 11.166 10.403 -7.111 1.00 0.00 O ATOM 99 CB PRO A 2 12.867 8.821 -4.868 1.00 0.00 C ATOM 100 CG PRO A 2 14.169 8.656 -4.161 1.00 0.00 C ATOM 101 CD PRO A 2 15.013 9.826 -4.576 1.00 0.00 C ATOM 0 HA PRO A 2 13.181 8.892 -7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.165 9.401 -4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.399 7.856 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.027 8.640 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.645 7.714 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.861 10.687 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.077 9.589 -4.547 1.00 0.00 H new ATOM 109 N LYS A 3 12.457 11.841 -5.957 1.00 0.00 N ATOM 110 CA LYS A 3 11.561 12.977 -6.148 1.00 0.00 C ATOM 111 C LYS A 3 10.225 12.735 -5.453 1.00 0.00 C ATOM 112 O LYS A 3 9.239 12.363 -6.088 1.00 0.00 O ATOM 113 CB LYS A 3 11.340 13.237 -7.642 1.00 0.00 C ATOM 114 CG LYS A 3 11.965 14.535 -8.130 1.00 0.00 C ATOM 115 CD LYS A 3 11.042 15.276 -9.083 1.00 0.00 C ATOM 116 CE LYS A 3 11.481 16.719 -9.276 1.00 0.00 C ATOM 117 NZ LYS A 3 11.132 17.567 -8.102 1.00 0.00 N ATOM 0 H LYS A 3 13.294 12.053 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 3 12.026 13.856 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.755 12.406 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.269 13.260 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.195 15.172 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.909 14.319 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.028 14.767 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.023 15.253 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.558 16.752 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.009 17.126 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.323 18.565 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.123 17.450 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.705 17.279 -7.283 1.00 0.00 H new ATOM 131 N GLY A 4 10.202 12.948 -4.140 1.00 0.00 N ATOM 132 CA GLY A 4 8.986 12.749 -3.377 1.00 0.00 C ATOM 133 C GLY A 4 9.201 11.860 -2.166 1.00 0.00 C ATOM 134 O GLY A 4 9.909 12.235 -1.232 1.00 0.00 O ATOM 0 H GLY A 4 11.006 13.255 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.603 13.716 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.226 12.305 -4.020 1.00 0.00 H new ATOM 138 N LYS A 5 8.589 10.681 -2.184 1.00 0.00 N ATOM 139 CA LYS A 5 8.718 9.736 -1.079 1.00 0.00 C ATOM 140 C LYS A 5 8.186 8.361 -1.475 1.00 0.00 C ATOM 141 O LYS A 5 7.162 7.908 -0.963 1.00 0.00 O ATOM 142 CB LYS A 5 7.977 10.249 0.162 1.00 0.00 C ATOM 143 CG LYS A 5 6.805 11.169 -0.151 1.00 0.00 C ATOM 144 CD LYS A 5 5.706 10.439 -0.905 1.00 0.00 C ATOM 145 CE LYS A 5 4.780 11.411 -1.617 1.00 0.00 C ATOM 146 NZ LYS A 5 5.193 11.636 -3.030 1.00 0.00 N ATOM 0 H LYS A 5 7.999 10.356 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 5 9.777 9.643 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.613 9.395 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.683 10.781 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.402 11.575 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.154 12.015 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.151 9.760 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.130 9.829 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.761 11.025 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.773 12.362 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.537 12.305 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.156 12.028 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.175 10.733 -3.545 1.00 0.00 H new ATOM 160 N SER A 6 8.889 7.701 -2.390 1.00 0.00 N ATOM 161 CA SER A 6 8.489 6.378 -2.855 1.00 0.00 C ATOM 162 C SER A 6 9.684 5.430 -2.897 1.00 0.00 C ATOM 163 O SER A 6 10.758 5.747 -2.387 1.00 0.00 O ATOM 164 CB SER A 6 7.850 6.474 -4.241 1.00 0.00 C ATOM 165 OG SER A 6 7.269 7.749 -4.449 1.00 0.00 O ATOM 0 H SER A 6 9.739 8.061 -2.824 1.00 0.00 H new ATOM 0 HA SER A 6 7.758 5.979 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.603 6.285 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.088 5.702 -4.347 1.00 0.00 H new ATOM 0 HG SER A 6 6.869 7.784 -5.343 1.00 0.00 H new ATOM 171 N SER A 7 9.489 4.266 -3.508 1.00 0.00 N ATOM 172 CA SER A 7 10.551 3.271 -3.618 1.00 0.00 C ATOM 173 C SER A 7 10.997 2.798 -2.238 1.00 0.00 C ATOM 174 O SER A 7 11.536 3.575 -1.450 1.00 0.00 O ATOM 175 CB SER A 7 11.743 3.849 -4.382 1.00 0.00 C ATOM 176 OG SER A 7 11.602 3.647 -5.777 1.00 0.00 O ATOM 0 H SER A 7 8.605 3.988 -3.935 1.00 0.00 H new ATOM 0 HA SER A 7 10.158 2.415 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.830 4.915 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.663 3.380 -4.035 1.00 0.00 H new ATOM 0 HG SER A 7 12.376 4.027 -6.242 1.00 0.00 H new ATOM 182 N ILE A 8 10.771 1.520 -1.954 1.00 0.00 N ATOM 183 CA ILE A 8 11.151 0.945 -0.669 1.00 0.00 C ATOM 184 C ILE A 8 11.790 -0.431 -0.850 1.00 0.00 C ATOM 185 O ILE A 8 11.719 -1.022 -1.927 1.00 0.00 O ATOM 186 CB ILE A 8 9.930 0.832 0.280 1.00 0.00 C ATOM 187 CG1 ILE A 8 10.390 0.797 1.739 1.00 0.00 C ATOM 188 CG2 ILE A 8 9.090 -0.401 -0.042 1.00 0.00 C ATOM 189 CD1 ILE A 8 9.306 1.189 2.721 1.00 0.00 C ATOM 0 H ILE A 8 10.327 0.863 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 8 11.882 1.617 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 8 9.305 1.712 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.740 -0.207 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.240 1.468 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.242 -0.452 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.727 -0.336 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.701 -1.297 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.700 1.142 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.972 2.204 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.464 0.503 2.627 1.00 0.00 H new ATOM 201 N SER A 9 12.404 -0.936 0.216 1.00 0.00 N ATOM 202 CA SER A 9 13.046 -2.248 0.192 1.00 0.00 C ATOM 203 C SER A 9 12.062 -3.310 -0.312 1.00 0.00 C ATOM 204 O SER A 9 10.935 -2.979 -0.683 1.00 0.00 O ATOM 205 CB SER A 9 13.542 -2.595 1.599 1.00 0.00 C ATOM 206 OG SER A 9 13.399 -1.493 2.480 1.00 0.00 O ATOM 0 H SER A 9 12.471 -0.454 1.112 1.00 0.00 H new ATOM 0 HA SER A 9 13.897 -2.224 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.982 -3.447 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.589 -2.895 1.555 1.00 0.00 H new ATOM 0 HG SER A 9 12.631 -1.643 3.070 1.00 0.00 H new ATOM 212 N PRO A 10 12.440 -4.607 -0.319 1.00 0.00 N ATOM 213 CA PRO A 10 11.535 -5.668 -0.771 1.00 0.00 C ATOM 214 C PRO A 10 10.211 -5.610 -0.024 1.00 0.00 C ATOM 215 O PRO A 10 9.188 -6.096 -0.502 1.00 0.00 O ATOM 216 CB PRO A 10 12.285 -6.967 -0.445 1.00 0.00 C ATOM 217 CG PRO A 10 13.376 -6.564 0.488 1.00 0.00 C ATOM 218 CD PRO A 10 13.732 -5.152 0.122 1.00 0.00 C ATOM 0 HA PRO A 10 11.289 -5.580 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.622 -7.699 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.688 -7.426 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.046 -6.627 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.239 -7.223 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.137 -4.602 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.481 -5.113 -0.669 1.00 0.00 H new ATOM 226 N GLN A 11 10.246 -4.991 1.154 1.00 0.00 N ATOM 227 CA GLN A 11 9.060 -4.837 1.980 1.00 0.00 C ATOM 228 C GLN A 11 7.917 -4.229 1.179 1.00 0.00 C ATOM 229 O GLN A 11 6.758 -4.420 1.515 1.00 0.00 O ATOM 230 CB GLN A 11 9.377 -3.962 3.195 1.00 0.00 C ATOM 231 CG GLN A 11 10.468 -4.535 4.086 1.00 0.00 C ATOM 232 CD GLN A 11 11.679 -3.626 4.188 1.00 0.00 C ATOM 233 OE1 GLN A 11 11.437 -2.328 4.331 1.00 0.00 O flip ATOM 234 NE2 GLN A 11 12.820 -4.085 4.140 1.00 0.00 N flip ATOM 0 H GLN A 11 11.092 -4.587 1.557 1.00 0.00 H new ATOM 0 HA GLN A 11 8.749 -5.824 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.681 -2.973 2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.470 -3.830 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.063 -4.708 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.778 -5.504 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.962 -5.089 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.624 -3.461 4.211 1.00 0.00 H new ATOM 243 N ALA A 12 8.236 -3.509 0.109 1.00 0.00 N ATOM 244 CA ALA A 12 7.199 -2.908 -0.724 1.00 0.00 C ATOM 245 C ALA A 12 6.096 -3.925 -1.003 1.00 0.00 C ATOM 246 O ALA A 12 4.927 -3.710 -0.671 1.00 0.00 O ATOM 247 CB ALA A 12 7.794 -2.396 -2.028 1.00 0.00 C ATOM 0 H ALA A 12 9.191 -3.328 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 12 6.767 -2.062 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.007 -1.951 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.554 -1.645 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.248 -3.225 -2.571 1.00 0.00 H new ATOM 253 N ARG A 13 6.491 -5.047 -1.592 1.00 0.00 N ATOM 254 CA ARG A 13 5.561 -6.120 -1.905 1.00 0.00 C ATOM 255 C ARG A 13 5.289 -6.971 -0.670 1.00 0.00 C ATOM 256 O ARG A 13 4.176 -7.453 -0.473 1.00 0.00 O ATOM 257 CB ARG A 13 6.130 -6.998 -3.022 1.00 0.00 C ATOM 258 CG ARG A 13 7.348 -7.805 -2.596 1.00 0.00 C ATOM 259 CD ARG A 13 8.327 -7.995 -3.743 1.00 0.00 C ATOM 260 NE ARG A 13 8.412 -9.392 -4.165 1.00 0.00 N ATOM 261 CZ ARG A 13 9.142 -9.813 -5.194 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.854 -8.952 -5.910 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.160 -11.101 -5.510 1.00 0.00 N ATOM 0 H ARG A 13 7.456 -5.236 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 13 4.623 -5.676 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.354 -7.681 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.400 -6.367 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.849 -7.299 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.028 -8.779 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.019 -7.379 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.314 -7.648 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 13 7.880 -10.085 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.844 -7.960 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.412 -9.282 -6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.614 -11.768 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.720 -11.425 -6.299 1.00 0.00 H new ATOM 277 N ALA A 14 6.318 -7.159 0.153 1.00 0.00 N ATOM 278 CA ALA A 14 6.199 -7.962 1.366 1.00 0.00 C ATOM 279 C ALA A 14 5.251 -7.317 2.374 1.00 0.00 C ATOM 280 O ALA A 14 4.307 -7.949 2.846 1.00 0.00 O ATOM 281 CB ALA A 14 7.570 -8.172 1.989 1.00 0.00 C ATOM 0 H ALA A 14 7.246 -6.764 0.001 1.00 0.00 H new ATOM 0 HA ALA A 14 5.779 -8.929 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.471 -8.772 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.217 -8.689 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.007 -7.206 2.241 1.00 0.00 H new ATOM 287 N PHE A 15 5.515 -6.056 2.698 1.00 0.00 N ATOM 288 CA PHE A 15 4.697 -5.317 3.647 1.00 0.00 C ATOM 289 C PHE A 15 3.241 -5.323 3.215 1.00 0.00 C ATOM 290 O PHE A 15 2.352 -5.586 4.021 1.00 0.00 O ATOM 291 CB PHE A 15 5.233 -3.878 3.828 1.00 0.00 C ATOM 292 CG PHE A 15 4.631 -2.833 2.912 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.281 -2.524 2.972 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.424 -2.157 1.997 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.736 -1.569 2.136 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.883 -1.199 1.160 1.00 0.00 C ATOM 297 CZ PHE A 15 3.537 -0.907 1.229 1.00 0.00 C ATOM 0 H PHE A 15 6.295 -5.523 2.313 1.00 0.00 H new ATOM 0 HA PHE A 15 4.756 -5.812 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.060 -3.573 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.312 -3.890 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.648 -3.036 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.479 -2.382 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.682 -1.340 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.513 -0.680 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.111 -0.161 0.574 1.00 0.00 H new ATOM 307 N LEU A 16 2.995 -5.039 1.940 1.00 0.00 N ATOM 308 CA LEU A 16 1.631 -5.032 1.440 1.00 0.00 C ATOM 309 C LEU A 16 1.144 -6.456 1.210 1.00 0.00 C ATOM 310 O LEU A 16 -0.056 -6.726 1.266 1.00 0.00 O ATOM 311 CB LEU A 16 1.498 -4.205 0.166 1.00 0.00 C ATOM 312 CG LEU A 16 0.202 -3.391 0.083 1.00 0.00 C ATOM 313 CD1 LEU A 16 0.498 -1.901 -0.008 1.00 0.00 C ATOM 314 CD2 LEU A 16 -0.651 -3.846 -1.094 1.00 0.00 C ATOM 0 H LEU A 16 3.710 -4.815 1.248 1.00 0.00 H new ATOM 0 HA LEU A 16 1.004 -4.563 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.347 -3.525 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.552 -4.872 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.363 -3.567 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.439 -1.347 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.052 -1.586 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.093 -1.702 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.565 -3.253 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.093 -3.712 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.906 -4.899 -0.973 1.00 0.00 H new ATOM 326 N GLU A 17 2.082 -7.373 0.980 1.00 0.00 N ATOM 327 CA GLU A 17 1.733 -8.774 0.779 1.00 0.00 C ATOM 328 C GLU A 17 0.929 -9.262 1.971 1.00 0.00 C ATOM 329 O GLU A 17 -0.198 -9.731 1.825 1.00 0.00 O ATOM 330 CB GLU A 17 2.994 -9.626 0.604 1.00 0.00 C ATOM 331 CG GLU A 17 3.275 -10.006 -0.841 1.00 0.00 C ATOM 332 CD GLU A 17 2.456 -11.197 -1.301 1.00 0.00 C ATOM 333 OE1 GLU A 17 1.309 -10.990 -1.752 1.00 0.00 O ATOM 334 OE2 GLU A 17 2.961 -12.336 -1.210 1.00 0.00 O ATOM 0 H GLU A 17 3.081 -7.172 0.929 1.00 0.00 H new ATOM 0 HA GLU A 17 1.135 -8.868 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.850 -9.079 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.894 -10.535 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.062 -9.153 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.335 -10.234 -0.953 1.00 0.00 H new ATOM 341 N GLN A 18 1.515 -9.117 3.155 1.00 0.00 N ATOM 342 CA GLN A 18 0.857 -9.512 4.391 1.00 0.00 C ATOM 343 C GLN A 18 -0.356 -8.624 4.641 1.00 0.00 C ATOM 344 O GLN A 18 -1.372 -9.078 5.167 1.00 0.00 O ATOM 345 CB GLN A 18 1.829 -9.433 5.574 1.00 0.00 C ATOM 346 CG GLN A 18 2.740 -8.214 5.547 1.00 0.00 C ATOM 347 CD GLN A 18 2.575 -7.333 6.770 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.376 -7.825 7.881 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.656 -6.022 6.572 1.00 0.00 N ATOM 0 H GLN A 18 2.449 -8.727 3.283 1.00 0.00 H new ATOM 0 HA GLN A 18 0.526 -10.546 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.256 -9.425 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.444 -10.333 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.777 -8.542 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.530 -7.629 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.822 -5.657 5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.552 -5.380 7.358 1.00 0.00 H new ATOM 358 N VAL A 19 -0.251 -7.356 4.241 1.00 0.00 N ATOM 359 CA VAL A 19 -1.354 -6.410 4.402 1.00 0.00 C ATOM 360 C VAL A 19 -2.611 -6.965 3.741 1.00 0.00 C ATOM 361 O VAL A 19 -3.630 -7.184 4.397 1.00 0.00 O ATOM 362 CB VAL A 19 -1.009 -5.033 3.789 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.243 -4.150 3.667 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.059 -4.336 4.616 1.00 0.00 C ATOM 0 H VAL A 19 0.583 -6.962 3.805 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.528 -6.273 5.469 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.622 -5.206 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.962 -3.191 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.977 -4.638 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.674 -3.989 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.290 -3.368 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.306 -4.190 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.960 -4.949 4.638 1.00 0.00 H new ATOM 374 N PHE A 20 -2.521 -7.207 2.437 1.00 0.00 N ATOM 375 CA PHE A 20 -3.637 -7.756 1.680 1.00 0.00 C ATOM 376 C PHE A 20 -3.872 -9.222 2.047 1.00 0.00 C ATOM 377 O PHE A 20 -4.885 -9.812 1.671 1.00 0.00 O ATOM 378 CB PHE A 20 -3.363 -7.635 0.183 1.00 0.00 C ATOM 379 CG PHE A 20 -4.576 -7.862 -0.669 1.00 0.00 C ATOM 380 CD1 PHE A 20 -5.683 -7.039 -0.551 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.610 -8.898 -1.588 1.00 0.00 C ATOM 382 CE1 PHE A 20 -6.801 -7.243 -1.333 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.726 -9.108 -2.374 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.824 -8.279 -2.246 1.00 0.00 C ATOM 0 H PHE A 20 -1.683 -7.030 1.883 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.533 -7.188 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.963 -6.643 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.593 -8.354 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.671 -6.228 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.754 -9.549 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.658 -6.593 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.740 -9.919 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.699 -8.441 -2.859 1.00 0.00 H new ATOM 394 N ARG A 21 -2.929 -9.804 2.782 1.00 0.00 N ATOM 395 CA ARG A 21 -3.030 -11.195 3.203 1.00 0.00 C ATOM 396 C ARG A 21 -3.986 -11.327 4.380 1.00 0.00 C ATOM 397 O ARG A 21 -4.799 -12.250 4.438 1.00 0.00 O ATOM 398 CB ARG A 21 -1.653 -11.718 3.605 1.00 0.00 C ATOM 399 CG ARG A 21 -1.476 -13.212 3.388 1.00 0.00 C ATOM 400 CD ARG A 21 -0.253 -13.504 2.535 1.00 0.00 C ATOM 401 NE ARG A 21 0.474 -14.682 3.003 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.024 -15.916 2.985 1.00 0.00 C ATOM 403 NH1 ARG A 21 -1.248 -16.139 2.522 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.703 -16.932 3.430 1.00 0.00 N ATOM 0 H ARG A 21 -2.083 -9.330 3.099 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.413 -11.782 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.892 -11.185 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.481 -11.490 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.378 -13.713 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.364 -13.620 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.561 -13.656 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.411 -12.640 2.547 1.00 0.00 H new ATOM 0 HE ARG A 21 1.419 -14.551 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.812 -15.362 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.624 -17.087 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.645 -16.768 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.321 -17.878 3.416 1.00 0.00 H new ATOM 418 N ARG A 22 -3.876 -10.395 5.318 1.00 0.00 N ATOM 419 CA ARG A 22 -4.725 -10.396 6.505 1.00 0.00 C ATOM 420 C ARG A 22 -6.196 -10.291 6.118 1.00 0.00 C ATOM 421 O ARG A 22 -7.041 -11.019 6.638 1.00 0.00 O ATOM 422 CB ARG A 22 -4.345 -9.238 7.429 1.00 0.00 C ATOM 423 CG ARG A 22 -3.254 -9.588 8.427 1.00 0.00 C ATOM 424 CD ARG A 22 -2.443 -8.363 8.823 1.00 0.00 C ATOM 425 NE ARG A 22 -2.533 -8.085 10.254 1.00 0.00 N ATOM 426 CZ ARG A 22 -2.013 -8.869 11.195 1.00 0.00 C ATOM 427 NH1 ARG A 22 -1.367 -9.979 10.861 1.00 0.00 N ATOM 428 NH2 ARG A 22 -2.139 -8.543 12.474 1.00 0.00 N ATOM 0 H ARG A 22 -3.206 -9.627 5.281 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.572 -11.338 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.014 -8.394 6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.232 -8.912 7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.702 -10.031 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.592 -10.339 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.399 -8.515 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.797 -7.498 8.263 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.023 -7.241 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.267 -10.235 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.970 -10.576 11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.635 -7.691 12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.740 -9.144 13.195 1.00 0.00 H new ATOM 442 N LYS A 23 -6.490 -9.382 5.196 1.00 0.00 N ATOM 443 CA LYS A 23 -7.855 -9.177 4.725 1.00 0.00 C ATOM 444 C LYS A 23 -7.844 -8.625 3.302 1.00 0.00 C ATOM 445 O LYS A 23 -6.887 -8.833 2.562 1.00 0.00 O ATOM 446 CB LYS A 23 -8.608 -8.233 5.668 1.00 0.00 C ATOM 447 CG LYS A 23 -8.109 -6.797 5.619 1.00 0.00 C ATOM 448 CD LYS A 23 -8.791 -5.899 6.650 1.00 0.00 C ATOM 449 CE LYS A 23 -9.234 -6.665 7.890 1.00 0.00 C ATOM 450 NZ LYS A 23 -8.087 -7.322 8.575 1.00 0.00 N ATOM 0 H LYS A 23 -5.799 -8.773 4.758 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.373 -10.136 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.668 -8.249 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.519 -8.605 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.032 -6.785 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.279 -6.392 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.106 -5.104 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.658 -5.421 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.727 -5.982 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.969 -7.419 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.257 -8.346 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.214 -7.146 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.987 -6.933 9.534 1.00 0.00 H new ATOM 464 N GLN A 24 -8.908 -7.928 2.915 1.00 0.00 N ATOM 465 CA GLN A 24 -8.989 -7.371 1.571 1.00 0.00 C ATOM 466 C GLN A 24 -9.608 -5.980 1.581 1.00 0.00 C ATOM 467 O GLN A 24 -9.097 -5.056 0.953 1.00 0.00 O ATOM 468 CB GLN A 24 -9.817 -8.287 0.664 1.00 0.00 C ATOM 469 CG GLN A 24 -9.550 -9.771 0.870 1.00 0.00 C ATOM 470 CD GLN A 24 -8.339 -10.260 0.100 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.333 -10.264 -1.131 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.307 -10.680 0.822 1.00 0.00 N ATOM 0 H GLN A 24 -9.717 -7.737 3.506 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.972 -7.295 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.875 -8.092 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.612 -8.033 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.403 -9.965 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.427 -10.340 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.355 -10.659 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.466 -11.024 0.358 1.00 0.00 H new ATOM 481 N SER A 25 -10.726 -5.848 2.276 1.00 0.00 N ATOM 482 CA SER A 25 -11.438 -4.577 2.342 1.00 0.00 C ATOM 483 C SER A 25 -10.847 -3.630 3.387 1.00 0.00 C ATOM 484 O SER A 25 -11.403 -3.468 4.473 1.00 0.00 O ATOM 485 CB SER A 25 -12.916 -4.825 2.641 1.00 0.00 C ATOM 486 OG SER A 25 -13.673 -3.636 2.493 1.00 0.00 O ATOM 0 H SER A 25 -11.162 -6.604 2.803 1.00 0.00 H new ATOM 0 HA SER A 25 -11.330 -4.094 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.302 -5.592 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.026 -5.206 3.656 1.00 0.00 H new ATOM 0 HG SER A 25 -14.615 -3.822 2.688 1.00 0.00 H new ATOM 492 N LEU A 26 -9.733 -2.987 3.043 1.00 0.00 N ATOM 493 CA LEU A 26 -9.093 -2.033 3.947 1.00 0.00 C ATOM 494 C LEU A 26 -9.815 -0.688 3.883 1.00 0.00 C ATOM 495 O LEU A 26 -9.979 -0.117 2.806 1.00 0.00 O ATOM 496 CB LEU A 26 -7.611 -1.840 3.584 1.00 0.00 C ATOM 497 CG LEU A 26 -6.696 -3.058 3.788 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.388 -2.649 4.457 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.389 -4.137 4.606 1.00 0.00 C ATOM 0 H LEU A 26 -9.256 -3.108 2.149 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.153 -2.432 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.551 -1.539 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.218 -1.014 4.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.471 -3.468 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.757 -3.528 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.870 -1.923 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.600 -2.203 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.717 -4.985 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.657 -3.737 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.291 -4.463 4.088 1.00 0.00 H new ATOM 511 N ASN A 27 -10.246 -0.187 5.036 1.00 0.00 N ATOM 512 CA ASN A 27 -10.952 1.092 5.094 1.00 0.00 C ATOM 513 C ASN A 27 -10.039 2.183 5.643 1.00 0.00 C ATOM 514 O ASN A 27 -8.874 1.936 5.938 1.00 0.00 O ATOM 515 CB ASN A 27 -12.219 0.988 5.957 1.00 0.00 C ATOM 516 CG ASN A 27 -12.447 -0.405 6.519 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.960 -0.640 7.733 1.00 0.00 O flip ATOM 518 ND2 ASN A 27 -13.052 -1.258 5.870 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.121 -0.643 5.940 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.248 1.353 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.149 1.698 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.083 1.278 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.409 -1.034 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.196 -2.189 6.261 1.00 0.00 H new ATOM 525 N SER A 28 -10.579 3.391 5.786 1.00 0.00 N ATOM 526 CA SER A 28 -9.806 4.516 6.310 1.00 0.00 C ATOM 527 C SER A 28 -9.156 4.146 7.639 1.00 0.00 C ATOM 528 O SER A 28 -8.122 4.698 8.018 1.00 0.00 O ATOM 529 CB SER A 28 -10.706 5.742 6.488 1.00 0.00 C ATOM 530 OG SER A 28 -10.136 6.670 7.395 1.00 0.00 O ATOM 0 H SER A 28 -11.545 3.616 5.548 1.00 0.00 H new ATOM 0 HA SER A 28 -9.020 4.757 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.864 6.223 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.684 5.428 6.852 1.00 0.00 H new ATOM 0 HG SER A 28 -10.731 7.443 7.489 1.00 0.00 H new ATOM 536 N LYS A 29 -9.771 3.201 8.337 1.00 0.00 N ATOM 537 CA LYS A 29 -9.268 2.736 9.617 1.00 0.00 C ATOM 538 C LYS A 29 -8.116 1.763 9.420 1.00 0.00 C ATOM 539 O LYS A 29 -7.062 1.898 10.037 1.00 0.00 O ATOM 540 CB LYS A 29 -10.397 2.055 10.380 1.00 0.00 C ATOM 541 CG LYS A 29 -11.641 2.918 10.521 1.00 0.00 C ATOM 542 CD LYS A 29 -12.711 2.527 9.514 1.00 0.00 C ATOM 543 CE LYS A 29 -13.194 3.726 8.714 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.429 4.914 9.583 1.00 0.00 N ATOM 0 H LYS A 29 -10.628 2.739 8.032 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.900 3.590 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.663 1.129 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.040 1.781 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.039 2.822 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.375 3.966 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.314 1.772 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.554 2.074 10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.457 3.974 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.117 3.468 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.197 5.490 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.694 4.599 10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.560 5.483 9.635 1.00 0.00 H new ATOM 558 N GLU A 30 -8.321 0.791 8.543 1.00 0.00 N ATOM 559 CA GLU A 30 -7.300 -0.197 8.252 1.00 0.00 C ATOM 560 C GLU A 30 -6.190 0.441 7.443 1.00 0.00 C ATOM 561 O GLU A 30 -5.024 0.133 7.626 1.00 0.00 O ATOM 562 CB GLU A 30 -7.893 -1.377 7.486 1.00 0.00 C ATOM 563 CG GLU A 30 -9.174 -1.918 8.101 1.00 0.00 C ATOM 564 CD GLU A 30 -8.993 -3.282 8.741 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.844 -3.773 8.784 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.001 -3.859 9.200 1.00 0.00 O ATOM 0 H GLU A 30 -9.189 0.668 8.021 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.895 -0.568 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.094 -1.070 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.155 -2.178 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.535 -1.215 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.942 -1.983 7.330 1.00 0.00 H new ATOM 573 N LYS A 31 -6.559 1.347 6.557 1.00 0.00 N ATOM 574 CA LYS A 31 -5.585 2.037 5.737 1.00 0.00 C ATOM 575 C LYS A 31 -4.613 2.808 6.624 1.00 0.00 C ATOM 576 O LYS A 31 -3.429 2.910 6.324 1.00 0.00 O ATOM 577 CB LYS A 31 -6.300 2.973 4.759 1.00 0.00 C ATOM 578 CG LYS A 31 -6.463 4.392 5.270 1.00 0.00 C ATOM 579 CD LYS A 31 -7.061 5.298 4.209 1.00 0.00 C ATOM 580 CE LYS A 31 -7.389 6.672 4.768 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.134 7.509 3.787 1.00 0.00 N ATOM 0 H LYS A 31 -7.527 1.621 6.388 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.015 1.310 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.743 2.997 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.285 2.563 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.103 4.391 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.494 4.782 5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.361 5.399 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.966 4.842 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.983 6.562 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.466 7.179 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.338 8.438 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.558 7.636 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.027 7.039 3.537 1.00 0.00 H new ATOM 595 N GLU A 32 -5.129 3.342 7.726 1.00 0.00 N ATOM 596 CA GLU A 32 -4.312 4.096 8.667 1.00 0.00 C ATOM 597 C GLU A 32 -3.712 3.168 9.721 1.00 0.00 C ATOM 598 O GLU A 32 -2.567 3.340 10.142 1.00 0.00 O ATOM 599 CB GLU A 32 -5.153 5.191 9.333 1.00 0.00 C ATOM 600 CG GLU A 32 -6.112 4.677 10.396 1.00 0.00 C ATOM 601 CD GLU A 32 -6.771 5.796 11.177 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.206 6.910 11.210 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.851 5.559 11.758 1.00 0.00 O ATOM 0 H GLU A 32 -6.112 3.266 7.989 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.494 4.565 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.484 5.923 9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.724 5.713 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.882 4.068 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.571 4.028 11.085 1.00 0.00 H new ATOM 610 N GLU A 33 -4.500 2.184 10.138 1.00 0.00 N ATOM 611 CA GLU A 33 -4.072 1.216 11.139 1.00 0.00 C ATOM 612 C GLU A 33 -3.064 0.235 10.550 1.00 0.00 C ATOM 613 O GLU A 33 -2.129 -0.198 11.225 1.00 0.00 O ATOM 614 CB GLU A 33 -5.288 0.457 11.665 1.00 0.00 C ATOM 615 CG GLU A 33 -6.217 1.310 12.513 1.00 0.00 C ATOM 616 CD GLU A 33 -5.981 1.131 13.999 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.894 1.516 14.478 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.884 0.604 14.684 1.00 0.00 O ATOM 0 H GLU A 33 -5.449 2.035 9.794 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.590 1.750 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.848 0.054 10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.948 -0.393 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.080 2.359 12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.251 1.056 12.280 1.00 0.00 H new ATOM 625 N VAL A 34 -3.269 -0.107 9.286 1.00 0.00 N ATOM 626 CA VAL A 34 -2.396 -1.036 8.577 1.00 0.00 C ATOM 627 C VAL A 34 -1.134 -0.325 8.101 1.00 0.00 C ATOM 628 O VAL A 34 -0.038 -0.882 8.149 1.00 0.00 O ATOM 629 CB VAL A 34 -3.126 -1.670 7.368 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.197 -2.555 6.550 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.331 -2.468 7.840 1.00 0.00 C ATOM 0 H VAL A 34 -4.042 0.249 8.723 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.119 -1.829 9.271 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.463 -0.858 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.746 -2.982 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.365 -1.960 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.813 -3.359 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.835 -2.908 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.002 -3.260 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.021 -1.808 8.366 1.00 0.00 H new ATOM 641 N ALA A 35 -1.300 0.907 7.637 1.00 0.00 N ATOM 642 CA ALA A 35 -0.175 1.694 7.145 1.00 0.00 C ATOM 643 C ALA A 35 0.873 1.940 8.228 1.00 0.00 C ATOM 644 O ALA A 35 2.061 2.065 7.934 1.00 0.00 O ATOM 645 CB ALA A 35 -0.661 3.019 6.589 1.00 0.00 C ATOM 0 H ALA A 35 -2.201 1.383 7.591 1.00 0.00 H new ATOM 0 HA ALA A 35 0.298 1.116 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.190 3.595 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.353 2.837 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.169 3.579 7.374 1.00 0.00 H new ATOM 651 N LYS A 36 0.428 2.037 9.474 1.00 0.00 N ATOM 652 CA LYS A 36 1.333 2.303 10.589 1.00 0.00 C ATOM 653 C LYS A 36 1.936 1.028 11.175 1.00 0.00 C ATOM 654 O LYS A 36 2.969 1.079 11.843 1.00 0.00 O ATOM 655 CB LYS A 36 0.594 3.070 11.683 1.00 0.00 C ATOM 656 CG LYS A 36 -0.448 2.238 12.413 1.00 0.00 C ATOM 657 CD LYS A 36 -1.093 3.021 13.544 1.00 0.00 C ATOM 658 CE LYS A 36 -2.035 4.091 13.016 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.735 4.807 14.118 1.00 0.00 N ATOM 0 H LYS A 36 -0.552 1.936 9.740 1.00 0.00 H new ATOM 0 HA LYS A 36 2.156 2.901 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.319 3.444 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.108 3.939 11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.215 1.915 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.018 1.337 12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.643 2.339 14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.318 3.486 14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.472 4.807 12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.771 3.633 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.368 5.528 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.293 4.128 14.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.034 5.266 14.734 1.00 0.00 H new ATOM 673 N LYS A 37 1.291 -0.110 10.946 1.00 0.00 N ATOM 674 CA LYS A 37 1.785 -1.375 11.484 1.00 0.00 C ATOM 675 C LYS A 37 2.443 -2.226 10.404 1.00 0.00 C ATOM 676 O LYS A 37 3.301 -3.058 10.697 1.00 0.00 O ATOM 677 CB LYS A 37 0.645 -2.155 12.144 1.00 0.00 C ATOM 678 CG LYS A 37 -0.363 -2.716 11.155 1.00 0.00 C ATOM 679 CD LYS A 37 -1.433 -3.541 11.854 1.00 0.00 C ATOM 680 CE LYS A 37 -1.746 -4.816 11.086 1.00 0.00 C ATOM 681 NZ LYS A 37 -3.184 -4.899 10.709 1.00 0.00 N ATOM 0 H LYS A 37 0.434 -0.185 10.398 1.00 0.00 H new ATOM 0 HA LYS A 37 2.541 -1.141 12.234 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.066 -2.975 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.127 -1.501 12.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.832 -1.898 10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.153 -3.335 10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.099 -3.794 12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.341 -2.947 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.132 -4.858 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.480 -5.681 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.285 -5.479 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.722 -5.333 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.550 -3.943 10.525 1.00 0.00 H new ATOM 695 N CYS A 38 2.033 -2.022 9.159 1.00 0.00 N ATOM 696 CA CYS A 38 2.586 -2.784 8.049 1.00 0.00 C ATOM 697 C CYS A 38 3.707 -2.017 7.356 1.00 0.00 C ATOM 698 O CYS A 38 4.616 -2.620 6.787 1.00 0.00 O ATOM 699 CB CYS A 38 1.482 -3.142 7.055 1.00 0.00 C ATOM 700 SG CYS A 38 0.201 -4.214 7.752 1.00 0.00 S ATOM 0 H CYS A 38 1.323 -1.339 8.894 1.00 0.00 H new ATOM 0 HA CYS A 38 3.013 -3.705 8.447 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.019 -2.224 6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.928 -3.636 6.192 1.00 0.00 H new ATOM 0 HG CYS A 38 0.002 -5.224 6.959 1.00 0.00 H new ATOM 706 N GLY A 39 3.655 -0.689 7.420 1.00 0.00 N ATOM 707 CA GLY A 39 4.698 0.113 6.801 1.00 0.00 C ATOM 708 C GLY A 39 4.204 0.979 5.658 1.00 0.00 C ATOM 709 O GLY A 39 4.993 1.399 4.811 1.00 0.00 O ATOM 0 H GLY A 39 2.918 -0.158 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.151 0.752 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.482 -0.549 6.432 1.00 0.00 H new ATOM 713 N ILE A 40 2.909 1.264 5.635 1.00 0.00 N ATOM 714 CA ILE A 40 2.341 2.104 4.588 1.00 0.00 C ATOM 715 C ILE A 40 1.935 3.462 5.162 1.00 0.00 C ATOM 716 O ILE A 40 2.386 3.843 6.242 1.00 0.00 O ATOM 717 CB ILE A 40 1.119 1.444 3.904 1.00 0.00 C ATOM 718 CG1 ILE A 40 0.946 -0.013 4.339 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.252 1.522 2.387 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.285 -0.661 3.746 1.00 0.00 C ATOM 0 H ILE A 40 2.236 0.929 6.324 1.00 0.00 H new ATOM 0 HA ILE A 40 3.114 2.237 3.831 1.00 0.00 H new ATOM 0 HB ILE A 40 0.232 1.995 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.828 -0.582 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.886 -0.058 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.385 1.054 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.309 2.566 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.157 1.002 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.355 -1.693 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.173 -0.113 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.216 -0.645 2.658 1.00 0.00 H new ATOM 732 N THR A 41 1.088 4.192 4.441 1.00 0.00 N ATOM 733 CA THR A 41 0.638 5.504 4.898 1.00 0.00 C ATOM 734 C THR A 41 -0.733 5.842 4.313 1.00 0.00 C ATOM 735 O THR A 41 -1.111 5.325 3.261 1.00 0.00 O ATOM 736 CB THR A 41 1.656 6.580 4.514 1.00 0.00 C ATOM 737 OG1 THR A 41 2.854 5.994 4.035 1.00 0.00 O ATOM 738 CG2 THR A 41 2.024 7.493 5.662 1.00 0.00 C ATOM 0 H THR A 41 0.701 3.900 3.543 1.00 0.00 H new ATOM 0 HA THR A 41 0.550 5.474 5.984 1.00 0.00 H new ATOM 0 HB THR A 41 1.168 7.171 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.352 6.653 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.749 8.232 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.130 8.002 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.458 6.904 6.470 1.00 0.00 H new ATOM 746 N PRO A 42 -1.498 6.720 4.989 1.00 0.00 N ATOM 747 CA PRO A 42 -2.831 7.126 4.528 1.00 0.00 C ATOM 748 C PRO A 42 -2.841 7.513 3.053 1.00 0.00 C ATOM 749 O PRO A 42 -3.862 7.397 2.377 1.00 0.00 O ATOM 750 CB PRO A 42 -3.150 8.337 5.405 1.00 0.00 C ATOM 751 CG PRO A 42 -2.386 8.102 6.660 1.00 0.00 C ATOM 752 CD PRO A 42 -1.125 7.387 6.252 1.00 0.00 C ATOM 0 HA PRO A 42 -3.558 6.319 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.846 9.266 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.220 8.414 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.156 9.044 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.965 7.502 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.298 8.082 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.810 6.667 7.008 1.00 0.00 H new ATOM 760 N LEU A 43 -1.694 7.969 2.562 1.00 0.00 N ATOM 761 CA LEU A 43 -1.562 8.369 1.166 1.00 0.00 C ATOM 762 C LEU A 43 -1.154 7.178 0.303 1.00 0.00 C ATOM 763 O LEU A 43 -1.474 7.117 -0.887 1.00 0.00 O ATOM 764 CB LEU A 43 -0.531 9.491 1.030 1.00 0.00 C ATOM 765 CG LEU A 43 -0.554 10.233 -0.307 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.804 11.093 -0.420 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.697 11.084 -0.465 1.00 0.00 C ATOM 0 H LEU A 43 -0.841 8.071 3.111 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.529 8.734 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.694 10.212 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.463 9.070 1.177 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.572 9.496 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.802 11.613 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.689 10.460 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.818 11.823 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.664 11.605 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.746 11.813 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.579 10.444 -0.430 1.00 0.00 H new ATOM 779 N GLN A 44 -0.457 6.224 0.912 1.00 0.00 N ATOM 780 CA GLN A 44 -0.025 5.035 0.195 1.00 0.00 C ATOM 781 C GLN A 44 -1.157 4.025 0.146 1.00 0.00 C ATOM 782 O GLN A 44 -1.592 3.619 -0.922 1.00 0.00 O ATOM 783 CB GLN A 44 1.204 4.407 0.854 1.00 0.00 C ATOM 784 CG GLN A 44 2.167 5.418 1.456 1.00 0.00 C ATOM 785 CD GLN A 44 2.900 6.224 0.403 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.284 7.311 -0.046 1.00 0.00 O flip ATOM 787 NE2 GLN A 44 4.008 5.875 -0.004 1.00 0.00 N flip ATOM 0 H GLN A 44 -0.182 6.252 1.894 1.00 0.00 H new ATOM 0 HA GLN A 44 0.247 5.329 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.875 3.724 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.736 3.810 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.616 6.095 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.893 4.896 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.446 5.032 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.488 6.429 -0.713 1.00 0.00 H new ATOM 796 N VAL A 45 -1.640 3.640 1.319 1.00 0.00 N ATOM 797 CA VAL A 45 -2.738 2.682 1.437 1.00 0.00 C ATOM 798 C VAL A 45 -3.773 2.847 0.326 1.00 0.00 C ATOM 799 O VAL A 45 -4.370 1.874 -0.120 1.00 0.00 O ATOM 800 CB VAL A 45 -3.440 2.841 2.786 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.510 2.411 3.901 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.889 4.282 2.984 1.00 0.00 C ATOM 0 H VAL A 45 -1.286 3.979 2.213 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.296 1.689 1.352 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.325 2.205 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.015 2.526 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.232 1.367 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.613 3.030 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.387 4.379 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.021 4.941 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.581 4.560 2.189 1.00 0.00 H new ATOM 812 N ARG A 46 -3.979 4.077 -0.124 1.00 0.00 N ATOM 813 CA ARG A 46 -4.937 4.336 -1.186 1.00 0.00 C ATOM 814 C ARG A 46 -4.314 4.076 -2.558 1.00 0.00 C ATOM 815 O ARG A 46 -4.854 3.309 -3.351 1.00 0.00 O ATOM 816 CB ARG A 46 -5.470 5.768 -1.099 1.00 0.00 C ATOM 817 CG ARG A 46 -4.416 6.803 -0.745 1.00 0.00 C ATOM 818 CD ARG A 46 -4.548 8.056 -1.599 1.00 0.00 C ATOM 819 NE ARG A 46 -4.661 7.741 -3.020 1.00 0.00 N ATOM 820 CZ ARG A 46 -5.149 8.583 -3.930 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.565 9.791 -3.570 1.00 0.00 N ATOM 822 NH2 ARG A 46 -5.220 8.215 -5.201 1.00 0.00 N ATOM 0 H ARG A 46 -3.499 4.905 0.228 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.775 3.651 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.919 6.035 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.264 5.804 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.507 7.069 0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.424 6.373 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.425 8.620 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.682 8.697 -1.438 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.348 6.823 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.512 10.078 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.938 10.432 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.901 7.288 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.593 8.859 -5.898 1.00 0.00 H new ATOM 836 N VAL A 47 -3.170 4.701 -2.831 1.00 0.00 N ATOM 837 CA VAL A 47 -2.486 4.513 -4.109 1.00 0.00 C ATOM 838 C VAL A 47 -1.901 3.108 -4.208 1.00 0.00 C ATOM 839 O VAL A 47 -1.981 2.452 -5.246 1.00 0.00 O ATOM 840 CB VAL A 47 -1.345 5.531 -4.285 1.00 0.00 C ATOM 841 CG1 VAL A 47 -1.871 6.952 -4.153 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.240 5.264 -3.273 1.00 0.00 C ATOM 0 H VAL A 47 -2.699 5.338 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.228 4.661 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.928 5.418 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.050 7.657 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.627 7.133 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.314 7.086 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.561 5.991 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.642 5.351 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.154 4.259 -3.421 1.00 0.00 H new ATOM 852 N TRP A 48 -1.304 2.667 -3.110 1.00 0.00 N ATOM 853 CA TRP A 48 -0.687 1.357 -3.030 1.00 0.00 C ATOM 854 C TRP A 48 -1.736 0.254 -3.181 1.00 0.00 C ATOM 855 O TRP A 48 -1.603 -0.619 -4.039 1.00 0.00 O ATOM 856 CB TRP A 48 0.072 1.231 -1.707 1.00 0.00 C ATOM 857 CG TRP A 48 1.528 0.931 -1.886 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.577 1.778 -1.667 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.095 -0.304 -2.323 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.763 1.139 -1.937 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.493 -0.142 -2.342 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.554 -1.532 -2.698 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.356 -1.167 -2.721 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.406 -2.547 -3.073 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.794 -2.362 -3.083 1.00 0.00 C ATOM 0 H TRP A 48 -1.235 3.211 -2.250 1.00 0.00 H new ATOM 0 HA TRP A 48 0.023 1.242 -3.849 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.034 2.159 -1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.384 0.442 -1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.487 2.800 -1.331 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.692 1.551 -1.850 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.485 -1.685 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.427 -1.025 -2.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.996 -3.503 -3.365 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.434 -3.179 -3.382 1.00 0.00 H new ATOM 876 N PHE A 49 -2.790 0.303 -2.363 1.00 0.00 N ATOM 877 CA PHE A 49 -3.855 -0.692 -2.446 1.00 0.00 C ATOM 878 C PHE A 49 -4.630 -0.547 -3.753 1.00 0.00 C ATOM 879 O PHE A 49 -5.392 -1.432 -4.128 1.00 0.00 O ATOM 880 CB PHE A 49 -4.830 -0.571 -1.270 1.00 0.00 C ATOM 881 CG PHE A 49 -4.214 -0.795 0.086 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.976 -1.405 0.221 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.886 -0.395 1.230 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.422 -1.607 1.470 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.336 -0.594 2.480 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.104 -1.201 2.601 1.00 0.00 C ATOM 0 H PHE A 49 -2.926 1.014 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.380 -1.672 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.280 0.422 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.637 -1.290 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.439 -1.725 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.853 0.079 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.456 -2.082 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.870 -0.275 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.673 -1.359 3.578 1.00 0.00 H new ATOM 896 N ILE A 50 -4.444 0.572 -4.447 1.00 0.00 N ATOM 897 CA ILE A 50 -5.140 0.794 -5.709 1.00 0.00 C ATOM 898 C ILE A 50 -4.641 -0.186 -6.772 1.00 0.00 C ATOM 899 O ILE A 50 -5.421 -0.943 -7.348 1.00 0.00 O ATOM 900 CB ILE A 50 -4.974 2.257 -6.199 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.193 3.088 -5.789 1.00 0.00 C ATOM 902 CG2 ILE A 50 -4.769 2.324 -7.709 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.467 2.686 -6.501 1.00 0.00 C ATOM 0 H ILE A 50 -3.825 1.330 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.202 0.619 -5.539 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.082 2.670 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.342 2.993 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.990 4.140 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.657 3.364 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.872 1.767 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.632 1.889 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.288 3.317 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.337 2.808 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.694 1.643 -6.279 1.00 0.00 H new ATOM 915 N ASN A 51 -3.336 -0.169 -7.021 1.00 0.00 N ATOM 916 CA ASN A 51 -2.734 -1.058 -8.009 1.00 0.00 C ATOM 917 C ASN A 51 -2.680 -2.493 -7.494 1.00 0.00 C ATOM 918 O ASN A 51 -2.752 -3.445 -8.272 1.00 0.00 O ATOM 919 CB ASN A 51 -1.325 -0.578 -8.364 1.00 0.00 C ATOM 920 CG ASN A 51 -1.321 0.817 -8.952 1.00 0.00 C ATOM 921 OD1 ASN A 51 -0.622 1.708 -8.467 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.104 1.014 -10.005 1.00 0.00 N ATOM 0 H ASN A 51 -2.675 0.450 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.356 -1.038 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.703 -0.594 -7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.877 -1.271 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.144 1.933 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.666 0.247 -10.373 1.00 0.00 H new ATOM 929 N LYS A 52 -2.551 -2.642 -6.180 1.00 0.00 N ATOM 930 CA LYS A 52 -2.485 -3.960 -5.561 1.00 0.00 C ATOM 931 C LYS A 52 -3.884 -4.537 -5.361 1.00 0.00 C ATOM 932 O LYS A 52 -4.122 -5.720 -5.607 1.00 0.00 O ATOM 933 CB LYS A 52 -1.754 -3.877 -4.216 1.00 0.00 C ATOM 934 CG LYS A 52 -0.240 -4.004 -4.328 1.00 0.00 C ATOM 935 CD LYS A 52 0.165 -5.220 -5.151 1.00 0.00 C ATOM 936 CE LYS A 52 1.257 -6.024 -4.463 1.00 0.00 C ATOM 937 NZ LYS A 52 0.717 -6.860 -3.354 1.00 0.00 N ATOM 0 H LYS A 52 -2.490 -1.865 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.932 -4.622 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.995 -2.926 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.127 -4.664 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.168 -3.103 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.193 -4.079 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.706 -5.855 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.514 -4.896 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.751 -6.665 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.015 -5.346 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.493 -7.392 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.268 -6.247 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.013 -7.525 -3.732 1.00 0.00 H new ATOM 951 N ARG A 53 -4.803 -3.691 -4.911 1.00 0.00 N ATOM 952 CA ARG A 53 -6.179 -4.101 -4.671 1.00 0.00 C ATOM 953 C ARG A 53 -7.150 -3.355 -5.583 1.00 0.00 C ATOM 954 O ARG A 53 -8.244 -2.983 -5.161 1.00 0.00 O ATOM 955 CB ARG A 53 -6.560 -3.847 -3.212 1.00 0.00 C ATOM 956 CG ARG A 53 -7.860 -4.519 -2.805 1.00 0.00 C ATOM 957 CD ARG A 53 -8.282 -4.112 -1.405 1.00 0.00 C ATOM 958 NE ARG A 53 -8.393 -2.660 -1.269 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.524 -2.017 -0.974 1.00 0.00 C ATOM 960 NH1 ARG A 53 -10.653 -2.687 -0.777 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.523 -0.695 -0.874 1.00 0.00 N ATOM 0 H ARG A 53 -4.617 -2.710 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.247 -5.167 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.757 -4.204 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.647 -2.773 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.645 -4.255 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.741 -5.602 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.240 -4.573 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.558 -4.490 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.550 -2.102 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.662 -3.704 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.512 -2.184 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.659 -0.173 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.386 -0.200 -0.649 1.00 0.00 H new ATOM 975 N MET A 54 -6.752 -3.132 -6.832 1.00 0.00 N ATOM 976 CA MET A 54 -7.603 -2.428 -7.787 1.00 0.00 C ATOM 977 C MET A 54 -8.971 -3.102 -7.903 1.00 0.00 C ATOM 978 O MET A 54 -9.193 -3.930 -8.786 1.00 0.00 O ATOM 979 CB MET A 54 -6.928 -2.374 -9.160 1.00 0.00 C ATOM 980 CG MET A 54 -7.026 -1.014 -9.833 1.00 0.00 C ATOM 981 SD MET A 54 -5.573 -0.625 -10.827 1.00 0.00 S ATOM 982 CE MET A 54 -6.147 -1.083 -12.460 1.00 0.00 C ATOM 0 H MET A 54 -5.850 -3.427 -7.206 1.00 0.00 H new ATOM 0 HA MET A 54 -7.751 -1.412 -7.422 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.877 -2.641 -9.050 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.381 -3.124 -9.808 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.912 -0.990 -10.467 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.157 -0.245 -9.072 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.357 -0.900 -13.188 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.411 -2.141 -12.470 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.023 -0.488 -12.718 1.00 0.00 H new ATOM 992 N ARG A 55 -9.881 -2.740 -7.003 1.00 0.00 N ATOM 993 CA ARG A 55 -11.225 -3.307 -6.999 1.00 0.00 C ATOM 994 C ARG A 55 -12.162 -2.479 -7.871 1.00 0.00 C ATOM 995 O ARG A 55 -12.701 -2.970 -8.862 1.00 0.00 O ATOM 996 CB ARG A 55 -11.769 -3.374 -5.569 1.00 0.00 C ATOM 997 CG ARG A 55 -10.989 -4.313 -4.660 1.00 0.00 C ATOM 998 CD ARG A 55 -11.600 -5.706 -4.638 1.00 0.00 C ATOM 999 NE ARG A 55 -10.628 -6.737 -4.992 1.00 0.00 N ATOM 1000 CZ ARG A 55 -10.840 -8.042 -4.837 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -11.988 -8.478 -4.332 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -9.903 -8.913 -5.185 1.00 0.00 N ATOM 0 H ARG A 55 -9.711 -2.055 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.170 -4.316 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.757 -2.373 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.810 -3.695 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.955 -4.374 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.969 -3.908 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.000 -5.911 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.439 -5.745 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.733 -6.439 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.712 -7.812 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.146 -9.479 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.019 -8.583 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.066 -9.913 -5.066 1.00 0.00 H new ATOM 1016 N SER A 56 -12.348 -1.218 -7.496 1.00 0.00 N ATOM 1017 CA SER A 56 -13.218 -0.317 -8.242 1.00 0.00 C ATOM 1018 C SER A 56 -12.400 0.739 -8.976 1.00 0.00 C ATOM 1019 O SER A 56 -12.190 1.838 -8.465 1.00 0.00 O ATOM 1020 CB SER A 56 -14.218 0.358 -7.300 1.00 0.00 C ATOM 1021 OG SER A 56 -15.380 0.769 -7.999 1.00 0.00 O ATOM 0 H SER A 56 -11.907 -0.796 -6.679 1.00 0.00 H new ATOM 0 HA SER A 56 -13.766 -0.905 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.494 -0.332 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.750 1.221 -6.826 1.00 0.00 H new ATOM 0 HG SER A 56 -16.003 1.196 -7.375 1.00 0.00 H new ATOM 1027 N LYS A 57 -11.941 0.393 -10.178 1.00 0.00 N ATOM 1028 CA LYS A 57 -11.141 1.304 -10.997 1.00 0.00 C ATOM 1029 C LYS A 57 -10.086 2.028 -10.161 1.00 0.00 C ATOM 1030 O LYS A 57 -9.055 1.400 -9.841 1.00 0.00 O ATOM 1031 CB LYS A 57 -12.041 2.320 -11.708 1.00 0.00 C ATOM 1032 CG LYS A 57 -13.040 3.005 -10.788 1.00 0.00 C ATOM 1033 CD LYS A 57 -13.806 4.100 -11.513 1.00 0.00 C ATOM 1034 CE LYS A 57 -14.001 5.319 -10.628 1.00 0.00 C ATOM 1035 NZ LYS A 57 -14.517 4.952 -9.280 1.00 0.00 N ATOM 1036 OXT LYS A 57 -10.300 3.215 -9.834 1.00 0.00 O ATOM 0 H LYS A 57 -12.110 -0.516 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.624 0.705 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.416 3.078 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.584 1.814 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.741 2.267 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.516 3.432 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.267 4.387 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.777 3.719 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.053 5.846 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.697 6.008 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.039 5.756 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.152 4.133 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.720 4.710 -8.657 1.00 0.00 H new TER 1050 LYS A 57