USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 7 THR OG1 : rot 174:sc= -0.687 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc= -2.22 (180deg=-2.35) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.551 (180deg=0.412) USER MOD Single : A 2 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.048) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 14 THR OG1 : rot -52:sc= 1.09 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -3.24 (180deg=-3.63!) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -5.9! (180deg=-7.51!) USER MOD Single : A 31 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.148 (180deg=-0.485) USER MOD Single : A 40 GLN : amide:sc= -2.88 K(o=-2.9,f=-9.8!) USER MOD Single : A 41 GLN : amide:sc= -8.7! C(o=-8.7!,f=-15!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.0298 (180deg=-0.706) USER MOD Single : A 49 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 57 SER OG : rot 180:sc= 0.11 USER MOD Single : A 59 TYR OH : rot -50:sc= 0.332 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 68 HIS : no HD1:sc=-0.00649 X(o=-0.0065,f=-0.054) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.239 K(o=-0.24,f=-6.2!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 39 MET CE :methyl 156:sc= -0.0238 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 0.652 2.745 -16.910 1.00 0.00 N ATOM 2 CA ASP B 22 1.994 3.309 -16.809 1.00 0.00 C ATOM 3 C ASP B 22 1.952 4.710 -16.208 1.00 0.00 C ATOM 4 O ASP B 22 2.886 5.132 -15.526 1.00 0.00 O ATOM 5 CB ASP B 22 2.656 3.351 -18.187 1.00 0.00 C ATOM 6 CG ASP B 22 3.411 2.075 -18.507 1.00 0.00 C ATOM 7 OD1 ASP B 22 2.778 0.998 -18.512 1.00 0.00 O ATOM 8 OD2 ASP B 22 4.632 2.153 -18.751 1.00 0.00 O1- ATOM 0 HA ASP B 22 2.582 2.669 -16.151 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.894 3.519 -18.948 1.00 0.00 H new ATOM 0 HB3 ASP B 22 3.342 4.197 -18.231 1.00 0.00 H new ATOM 13 N THR B 23 0.863 5.427 -16.467 1.00 0.00 N ATOM 14 CA THR B 23 0.700 6.781 -15.951 1.00 0.00 C ATOM 15 C THR B 23 0.563 6.774 -14.432 1.00 0.00 C ATOM 16 O THR B 23 0.946 7.731 -13.760 1.00 0.00 O ATOM 17 CB THR B 23 -0.525 7.445 -16.582 1.00 0.00 C ATOM 18 OG1 THR B 23 -0.490 7.323 -17.993 1.00 0.00 O ATOM 19 CG2 THR B 23 -0.645 8.917 -16.251 1.00 0.00 C ATOM 0 H THR B 23 0.081 5.093 -17.031 1.00 0.00 H new ATOM 0 HA THR B 23 1.591 7.352 -16.214 1.00 0.00 H new ATOM 0 HB THR B 23 -1.385 6.924 -16.162 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.282 7.752 -18.378 1.00 0.00 H new ATOM 0 HG21 THR B 23 -1.535 9.326 -16.730 1.00 0.00 H new ATOM 0 HG22 THR B 23 -0.724 9.042 -15.171 1.00 0.00 H new ATOM 0 HG23 THR B 23 0.237 9.445 -16.614 1.00 0.00 H new ATOM 27 N GLN B 24 0.015 5.687 -13.896 1.00 0.00 N ATOM 28 CA GLN B 24 -0.173 5.556 -12.455 1.00 0.00 C ATOM 29 C GLN B 24 1.158 5.673 -11.720 1.00 0.00 C ATOM 30 O GLN B 24 1.222 6.207 -10.613 1.00 0.00 O ATOM 31 CB GLN B 24 -0.835 4.217 -12.126 1.00 0.00 C ATOM 32 CG GLN B 24 -2.096 3.948 -12.931 1.00 0.00 C ATOM 33 CD GLN B 24 -3.360 4.166 -12.123 1.00 0.00 C ATOM 34 OE1 GLN B 24 -3.368 4.002 -10.903 1.00 0.00 O ATOM 35 NE2 GLN B 24 -4.440 4.538 -12.802 1.00 0.00 N ATOM 0 H GLN B 24 -0.306 4.885 -14.438 1.00 0.00 H new ATOM 0 HA GLN B 24 -0.823 6.366 -12.123 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.121 3.414 -12.306 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -1.080 4.193 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -2.111 4.599 -13.805 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -2.076 2.922 -13.298 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -4.389 4.662 -13.813 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -5.320 4.699 -12.312 1.00 0.00 H new ATOM 44 N ASP B 25 2.219 5.170 -12.343 1.00 0.00 N ATOM 45 CA ASP B 25 3.549 5.219 -11.748 1.00 0.00 C ATOM 46 C ASP B 25 4.073 6.651 -11.703 1.00 0.00 C ATOM 47 O ASP B 25 4.835 7.015 -10.808 1.00 0.00 O ATOM 48 CB ASP B 25 4.516 4.335 -12.537 1.00 0.00 C ATOM 49 CG ASP B 25 4.336 2.860 -12.228 1.00 0.00 C ATOM 50 OD1 ASP B 25 3.795 2.543 -11.147 1.00 0.00 O1- ATOM 51 OD2 ASP B 25 4.734 2.025 -13.066 1.00 0.00 O ATOM 0 H ASP B 25 2.183 4.724 -13.260 1.00 0.00 H new ATOM 0 HA ASP B 25 3.477 4.846 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP B 25 4.367 4.501 -13.604 1.00 0.00 H new ATOM 0 HB3 ASP B 25 5.541 4.629 -12.309 1.00 0.00 H new ATOM 56 N ASP B 26 3.658 7.458 -12.674 1.00 0.00 N ATOM 57 CA ASP B 26 4.086 8.850 -12.745 1.00 0.00 C ATOM 58 C ASP B 26 3.219 9.733 -11.854 1.00 0.00 C ATOM 59 O ASP B 26 3.680 10.748 -11.332 1.00 0.00 O ATOM 60 CB ASP B 26 4.028 9.350 -14.190 1.00 0.00 C ATOM 61 CG ASP B 26 5.335 9.140 -14.929 1.00 0.00 C ATOM 62 OD1 ASP B 26 5.877 8.017 -14.868 1.00 0.00 O ATOM 63 OD2 ASP B 26 5.816 10.099 -15.567 1.00 0.00 O1- ATOM 0 H ASP B 26 3.026 7.172 -13.422 1.00 0.00 H new ATOM 0 HA ASP B 26 5.115 8.906 -12.389 1.00 0.00 H new ATOM 0 HB2 ASP B 26 3.228 8.832 -14.719 1.00 0.00 H new ATOM 0 HB3 ASP B 26 3.778 10.411 -14.194 1.00 0.00 H new ATOM 68 N PHE B 27 1.960 9.341 -11.683 1.00 0.00 N ATOM 69 CA PHE B 27 1.029 10.099 -10.855 1.00 0.00 C ATOM 70 C PHE B 27 1.541 10.212 -9.423 1.00 0.00 C ATOM 71 O PHE B 27 1.314 11.217 -8.751 1.00 0.00 O ATOM 72 CB PHE B 27 -0.350 9.439 -10.867 1.00 0.00 C ATOM 73 CG PHE B 27 -1.378 10.182 -10.061 1.00 0.00 C ATOM 74 CD1 PHE B 27 -1.499 9.964 -8.698 1.00 0.00 C ATOM 75 CD2 PHE B 27 -2.225 11.097 -10.667 1.00 0.00 C ATOM 76 CE1 PHE B 27 -2.444 10.645 -7.954 1.00 0.00 C ATOM 77 CE2 PHE B 27 -3.171 11.782 -9.929 1.00 0.00 C ATOM 78 CZ PHE B 27 -3.281 11.555 -8.571 1.00 0.00 C ATOM 0 H PHE B 27 1.562 8.503 -12.107 1.00 0.00 H new ATOM 0 HA PHE B 27 0.946 11.103 -11.271 1.00 0.00 H new ATOM 0 HB2 PHE B 27 -0.696 9.359 -11.897 1.00 0.00 H new ATOM 0 HB3 PHE B 27 -0.261 8.424 -10.480 1.00 0.00 H new ATOM 0 HD1 PHE B 27 -0.847 9.254 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE B 27 -2.144 11.277 -11.729 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -2.528 10.466 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE B 27 -3.823 12.494 -10.413 1.00 0.00 H new ATOM 0 HZ PHE B 27 -4.020 12.088 -7.992 1.00 0.00 H new ATOM 88 N LEU B 28 2.234 9.176 -8.962 1.00 0.00 N ATOM 89 CA LEU B 28 2.777 9.166 -7.611 1.00 0.00 C ATOM 90 C LEU B 28 3.787 10.293 -7.429 1.00 0.00 C ATOM 91 O LEU B 28 3.679 11.093 -6.500 1.00 0.00 O ATOM 92 CB LEU B 28 3.432 7.817 -7.312 1.00 0.00 C ATOM 93 CG LEU B 28 3.394 7.395 -5.844 1.00 0.00 C ATOM 94 CD1 LEU B 28 1.968 7.423 -5.316 1.00 0.00 C ATOM 95 CD2 LEU B 28 4.001 6.010 -5.672 1.00 0.00 C ATOM 0 H LEU B 28 2.432 8.335 -9.504 1.00 0.00 H new ATOM 0 HA LEU B 28 1.956 9.321 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.938 7.050 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU B 28 4.472 7.854 -7.638 1.00 0.00 H new ATOM 0 HG LEU B 28 3.987 8.105 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.962 7.119 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.567 8.433 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.352 6.737 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.966 5.725 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU B 28 3.435 5.289 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.037 6.022 -6.010 1.00 0.00 H new ATOM 107 N LYS B 29 4.765 10.354 -8.327 1.00 0.00 N ATOM 108 CA LYS B 29 5.789 11.390 -8.269 1.00 0.00 C ATOM 109 C LYS B 29 5.159 12.773 -8.401 1.00 0.00 C ATOM 110 O LYS B 29 5.649 13.748 -7.833 1.00 0.00 O ATOM 111 CB LYS B 29 6.824 11.179 -9.375 1.00 0.00 C ATOM 112 CG LYS B 29 7.899 10.165 -9.018 1.00 0.00 C ATOM 113 CD LYS B 29 7.304 8.796 -8.739 1.00 0.00 C ATOM 114 CE LYS B 29 8.367 7.806 -8.293 1.00 0.00 C ATOM 115 NZ LYS B 29 9.109 7.229 -9.447 1.00 0.00 N1+ ATOM 0 H LYS B 29 4.870 9.699 -9.102 1.00 0.00 H new ATOM 0 HA LYS B 29 6.288 11.324 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.314 10.851 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS B 29 7.298 12.133 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.616 10.091 -9.835 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.448 10.509 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.539 8.881 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.812 8.423 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS B 29 9.068 8.304 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.899 7.003 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.825 6.559 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.444 6.732 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.577 7.993 -9.975 1.00 0.00 H new ATOM 129 N TRP B 30 4.063 12.844 -9.151 1.00 0.00 N ATOM 130 CA TRP B 30 3.354 14.101 -9.358 1.00 0.00 C ATOM 131 C TRP B 30 2.885 14.682 -8.023 1.00 0.00 C ATOM 132 O TRP B 30 2.687 15.891 -7.898 1.00 0.00 O ATOM 133 CB TRP B 30 2.164 13.882 -10.304 1.00 0.00 C ATOM 134 CG TRP B 30 1.049 14.870 -10.125 1.00 0.00 C ATOM 135 CD1 TRP B 30 0.830 16.002 -10.856 1.00 0.00 C ATOM 136 CD2 TRP B 30 0.002 14.812 -9.151 1.00 0.00 C ATOM 137 NE1 TRP B 30 -0.290 16.652 -10.395 1.00 0.00 N ATOM 138 CE2 TRP B 30 -0.816 15.940 -9.348 1.00 0.00 C ATOM 139 CE3 TRP B 30 -0.323 13.913 -8.131 1.00 0.00 C ATOM 140 CZ2 TRP B 30 -1.939 16.192 -8.563 1.00 0.00 C ATOM 141 CZ3 TRP B 30 -1.437 14.165 -7.352 1.00 0.00 C ATOM 142 CH2 TRP B 30 -2.233 15.296 -7.572 1.00 0.00 C ATOM 0 H TRP B 30 3.646 12.043 -9.626 1.00 0.00 H new ATOM 0 HA TRP B 30 4.036 14.818 -9.815 1.00 0.00 H new ATOM 0 HB2 TRP B 30 2.518 13.933 -11.334 1.00 0.00 H new ATOM 0 HB3 TRP B 30 1.772 12.876 -10.151 1.00 0.00 H new ATOM 0 HD1 TRP B 30 1.447 16.338 -11.677 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -0.668 17.522 -10.770 1.00 0.00 H new ATOM 0 HE3 TRP B 30 0.285 13.038 -7.955 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -2.555 17.063 -8.731 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -1.698 13.478 -6.560 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -3.097 15.464 -6.946 1.00 0.00 H new ATOM 153 N TRP B 31 2.709 13.814 -7.031 1.00 0.00 N ATOM 154 CA TRP B 31 2.264 14.244 -5.710 1.00 0.00 C ATOM 155 C TRP B 31 3.451 14.515 -4.786 1.00 0.00 C ATOM 156 O TRP B 31 3.294 14.583 -3.567 1.00 0.00 O ATOM 157 CB TRP B 31 1.353 13.183 -5.089 1.00 0.00 C ATOM 158 CG TRP B 31 0.319 13.754 -4.167 1.00 0.00 C ATOM 159 CD1 TRP B 31 0.414 14.905 -3.440 1.00 0.00 C ATOM 160 CD2 TRP B 31 -0.968 13.197 -3.873 1.00 0.00 C ATOM 161 NE1 TRP B 31 -0.735 15.099 -2.712 1.00 0.00 N ATOM 162 CE2 TRP B 31 -1.599 14.065 -2.961 1.00 0.00 C ATOM 163 CE3 TRP B 31 -1.648 12.051 -4.293 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -2.876 13.820 -2.463 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -2.916 11.810 -3.798 1.00 0.00 C ATOM 166 CH2 TRP B 31 -3.519 12.691 -2.892 1.00 0.00 C ATOM 0 H TRP B 31 2.868 12.810 -7.117 1.00 0.00 H new ATOM 0 HA TRP B 31 1.707 15.173 -5.830 1.00 0.00 H new ATOM 0 HB2 TRP B 31 0.854 12.631 -5.886 1.00 0.00 H new ATOM 0 HB3 TRP B 31 1.964 12.467 -4.539 1.00 0.00 H new ATOM 0 HD1 TRP B 31 1.268 15.567 -3.437 1.00 0.00 H new ATOM 0 HE1 TRP B 31 -0.916 15.885 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -1.191 11.366 -4.992 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -3.342 14.497 -1.763 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -3.451 10.927 -4.116 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -4.511 12.475 -2.525 1.00 0.00 H new ATOM 177 N ARG B 32 4.637 14.670 -5.370 1.00 0.00 N ATOM 178 CA ARG B 32 5.842 14.932 -4.592 1.00 0.00 C ATOM 179 C ARG B 32 5.793 16.324 -3.967 1.00 0.00 C ATOM 180 O ARG B 32 5.693 16.466 -2.749 1.00 0.00 O ATOM 181 CB ARG B 32 7.084 14.800 -5.474 1.00 0.00 C ATOM 182 CG ARG B 32 8.392 14.912 -4.707 1.00 0.00 C ATOM 183 CD ARG B 32 9.434 15.698 -5.488 1.00 0.00 C ATOM 184 NE ARG B 32 10.477 14.833 -6.033 1.00 0.00 N ATOM 185 CZ ARG B 32 10.349 14.133 -7.159 1.00 0.00 C ATOM 186 NH1 ARG B 32 9.224 14.192 -7.862 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 11.348 13.372 -7.584 1.00 0.00 N ATOM 0 H ARG B 32 4.788 14.619 -6.377 1.00 0.00 H new ATOM 0 HA ARG B 32 5.895 14.194 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.055 13.838 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG B 32 7.057 15.572 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.212 15.398 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.774 13.914 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG B 32 8.947 16.236 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG B 32 9.887 16.446 -4.837 1.00 0.00 H new ATOM 0 HE ARG B 32 11.356 14.761 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG B 32 8.452 14.776 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG B 32 9.132 13.654 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG B 32 12.215 13.322 -7.049 1.00 0.00 H new ATOM 0 HH22 ARG B 32 11.250 12.836 -8.446 1.00 0.00 H new ATOM 201 N SER B 33 5.866 17.348 -4.811 1.00 0.00 N ATOM 202 CA SER B 33 5.831 18.728 -4.343 1.00 0.00 C ATOM 203 C SER B 33 4.438 19.330 -4.509 1.00 0.00 C ATOM 204 O SER B 33 4.281 20.549 -4.562 1.00 0.00 O ATOM 205 CB SER B 33 6.856 19.573 -5.103 1.00 0.00 C ATOM 206 OG SER B 33 8.174 19.286 -4.672 1.00 0.00 O ATOM 0 H SER B 33 5.950 17.248 -5.823 1.00 0.00 H new ATOM 0 HA SER B 33 6.081 18.728 -3.282 1.00 0.00 H new ATOM 0 HB2 SER B 33 6.770 19.380 -6.172 1.00 0.00 H new ATOM 0 HB3 SER B 33 6.643 20.631 -4.952 1.00 0.00 H new ATOM 0 HG SER B 33 8.810 19.838 -5.174 1.00 0.00 H new ATOM 212 N GLU B 34 3.427 18.468 -4.589 1.00 0.00 N ATOM 213 CA GLU B 34 2.050 18.920 -4.748 1.00 0.00 C ATOM 214 C GLU B 34 1.423 19.241 -3.394 1.00 0.00 C ATOM 215 O GLU B 34 0.571 20.123 -3.287 1.00 0.00 O ATOM 216 CB GLU B 34 1.221 17.853 -5.467 1.00 0.00 C ATOM 217 CG GLU B 34 -0.227 18.257 -5.692 1.00 0.00 C ATOM 218 CD GLU B 34 -1.182 17.559 -4.745 1.00 0.00 C ATOM 219 OE1 GLU B 34 -1.108 17.821 -3.527 1.00 0.00 O1- ATOM 220 OE2 GLU B 34 -2.005 16.749 -5.223 1.00 0.00 O ATOM 0 H GLU B 34 3.537 17.455 -4.546 1.00 0.00 H new ATOM 0 HA GLU B 34 2.059 19.829 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.682 17.634 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.246 16.932 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.323 19.336 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.508 18.028 -6.720 1.00 0.00 H new ATOM 227 N GLU B 35 1.852 18.521 -2.363 1.00 0.00 N ATOM 228 CA GLU B 35 1.334 18.730 -1.017 1.00 0.00 C ATOM 229 C GLU B 35 1.744 20.098 -0.482 1.00 0.00 C ATOM 230 O GLU B 35 1.017 20.716 0.294 1.00 0.00 O ATOM 231 CB GLU B 35 1.836 17.631 -0.078 1.00 0.00 C ATOM 232 CG GLU B 35 1.196 16.276 -0.331 1.00 0.00 C ATOM 233 CD GLU B 35 -0.039 16.048 0.519 1.00 0.00 C ATOM 234 OE1 GLU B 35 -0.977 16.869 0.437 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 -0.069 15.047 1.267 1.00 0.00 O ATOM 0 H GLU B 35 2.557 17.788 -2.434 1.00 0.00 H new ATOM 0 HA GLU B 35 0.246 18.690 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.917 17.539 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU B 35 1.642 17.928 0.953 1.00 0.00 H new ATOM 0 HG2 GLU B 35 0.928 16.196 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU B 35 1.924 15.491 -0.127 1.00 0.00 H new ATOM 242 N ALA B 36 2.916 20.565 -0.904 1.00 0.00 N ATOM 243 CA ALA B 36 3.424 21.859 -0.469 1.00 0.00 C ATOM 244 C ALA B 36 2.672 23.000 -1.146 1.00 0.00 C ATOM 245 O ALA B 36 2.449 24.052 -0.548 1.00 0.00 O ATOM 246 CB ALA B 36 4.914 21.964 -0.753 1.00 0.00 C ATOM 0 H ALA B 36 3.530 20.065 -1.547 1.00 0.00 H new ATOM 0 HA ALA B 36 3.264 21.941 0.606 1.00 0.00 H new ATOM 0 HB1 ALA B 36 5.280 22.936 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA B 36 5.443 21.176 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA B 36 5.089 21.855 -1.823 1.00 0.00 H new ATOM 252 N GLN B 37 2.283 22.783 -2.399 1.00 0.00 N ATOM 253 CA GLN B 37 1.556 23.793 -3.158 1.00 0.00 C ATOM 254 C GLN B 37 0.205 24.089 -2.516 1.00 0.00 C ATOM 255 O GLN B 37 -0.165 23.475 -1.514 1.00 0.00 O ATOM 256 CB GLN B 37 1.356 23.328 -4.602 1.00 0.00 C ATOM 257 CG GLN B 37 2.548 23.608 -5.502 1.00 0.00 C ATOM 258 CD GLN B 37 2.325 23.141 -6.927 1.00 0.00 C ATOM 259 OE1 GLN B 37 1.613 22.169 -7.169 1.00 0.00 O ATOM 260 NE2 GLN B 37 2.937 23.837 -7.880 1.00 0.00 N ATOM 0 H GLN B 37 2.459 21.917 -2.909 1.00 0.00 H new ATOM 0 HA GLN B 37 2.147 24.709 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN B 37 1.153 22.257 -4.605 1.00 0.00 H new ATOM 0 HB3 GLN B 37 0.476 23.821 -5.015 1.00 0.00 H new ATOM 0 HG2 GLN B 37 2.755 24.678 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.430 23.113 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN B 37 3.519 24.637 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN B 37 2.825 23.571 -8.858 1.00 0.00 H new ATOM 269 N ASP B 38 -0.528 25.032 -3.098 1.00 0.00 N ATOM 270 CA ASP B 38 -1.839 25.408 -2.582 1.00 0.00 C ATOM 271 C ASP B 38 -2.953 24.799 -3.427 1.00 0.00 C ATOM 272 O ASP B 38 -4.037 24.503 -2.924 1.00 0.00 O ATOM 273 CB ASP B 38 -1.981 26.931 -2.554 1.00 0.00 C ATOM 274 CG ASP B 38 -1.493 27.533 -1.250 1.00 0.00 C ATOM 275 OD1 ASP B 38 -1.956 27.085 -0.180 1.00 0.00 O1- ATOM 276 OD2 ASP B 38 -0.648 28.452 -1.299 1.00 0.00 O ATOM 0 H ASP B 38 -0.237 25.550 -3.927 1.00 0.00 H new ATOM 0 HA ASP B 38 -1.926 25.022 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -1.418 27.361 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.027 27.199 -2.706 1.00 0.00 H new ATOM 281 N MET B 39 -2.679 24.614 -4.715 1.00 0.00 N ATOM 282 CA MET B 39 -3.658 24.041 -5.630 1.00 0.00 C ATOM 283 C MET B 39 -4.911 24.908 -5.700 1.00 0.00 C ATOM 284 O MET B 39 -5.954 24.556 -5.148 1.00 0.00 O ATOM 285 CB MET B 39 -4.027 22.622 -5.191 1.00 0.00 C ATOM 286 CG MET B 39 -3.014 21.571 -5.615 1.00 0.00 C ATOM 287 SD MET B 39 -2.802 20.273 -4.381 1.00 0.00 S ATOM 288 CE MET B 39 -4.509 19.855 -4.033 1.00 0.00 C ATOM 0 H MET B 39 -1.787 24.853 -5.148 1.00 0.00 H new ATOM 0 HA MET B 39 -3.211 24.002 -6.623 1.00 0.00 H new ATOM 0 HB2 MET B 39 -4.127 22.601 -4.106 1.00 0.00 H new ATOM 0 HB3 MET B 39 -5.001 22.364 -5.606 1.00 0.00 H new ATOM 0 HG2 MET B 39 -3.333 21.123 -6.556 1.00 0.00 H new ATOM 0 HG3 MET B 39 -2.053 22.052 -5.800 1.00 0.00 H new ATOM 0 HE1 MET B 39 -4.563 18.837 -3.647 1.00 0.00 H new ATOM 0 HE2 MET B 39 -4.909 20.546 -3.291 1.00 0.00 H new ATOM 0 HE3 MET B 39 -5.095 19.927 -4.949 1.00 0.00 H new ATOM 298 N GLY B 40 -4.801 26.043 -6.381 1.00 0.00 N ATOM 299 CA GLY B 40 -5.931 26.944 -6.511 1.00 0.00 C ATOM 300 C GLY B 40 -5.508 28.372 -6.789 1.00 0.00 C ATOM 301 O GLY B 40 -5.496 28.768 -7.973 1.00 0.00 O ATOM 302 OXT GLY B 40 -5.186 29.094 -5.822 1.00 0.00 O ATOM 0 H GLY B 40 -3.949 26.356 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY B 40 -6.577 26.597 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY B 40 -6.521 26.915 -5.595 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -6.126 -9.581 7.962 1.00 0.00 N ATOM 308 CA MET A 1 -5.615 -8.969 6.707 1.00 0.00 C ATOM 309 C MET A 1 -4.484 -7.985 6.993 1.00 0.00 C ATOM 310 O MET A 1 -4.726 -6.822 7.319 1.00 0.00 O ATOM 311 CB MET A 1 -6.772 -8.254 6.007 1.00 0.00 C ATOM 312 CG MET A 1 -6.363 -7.534 4.734 1.00 0.00 C ATOM 313 SD MET A 1 -7.758 -6.762 3.895 1.00 0.00 S ATOM 314 CE MET A 1 -6.995 -5.254 3.307 1.00 0.00 C ATOM 0 H1 MET A 1 -6.757 -10.374 7.729 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.327 -9.929 8.529 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.652 -8.868 8.507 1.00 0.00 H new ATOM 0 HA MET A 1 -5.213 -9.753 6.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.547 -8.982 5.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.213 -7.533 6.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.622 -6.772 4.974 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.884 -8.243 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.744 -4.637 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.575 -4.706 4.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.201 -5.499 2.602 1.00 0.00 H new ATOM 326 N GLN A 2 -3.250 -8.459 6.869 1.00 0.00 N ATOM 327 CA GLN A 2 -2.081 -7.622 7.112 1.00 0.00 C ATOM 328 C GLN A 2 -1.496 -7.115 5.797 1.00 0.00 C ATOM 329 O GLN A 2 -0.825 -7.856 5.080 1.00 0.00 O ATOM 330 CB GLN A 2 -1.020 -8.404 7.889 1.00 0.00 C ATOM 331 CG GLN A 2 -1.082 -8.184 9.392 1.00 0.00 C ATOM 332 CD GLN A 2 -0.908 -9.470 10.177 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.059 -9.559 11.063 1.00 0.00 O ATOM 334 NE2 GLN A 2 -1.714 -10.475 9.854 1.00 0.00 N ATOM 0 H GLN A 2 -3.033 -9.419 6.601 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.395 -6.763 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.139 -9.467 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.032 -8.117 7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.306 -7.476 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.040 -7.732 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.404 -10.357 9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.643 -11.365 10.348 1.00 0.00 H new ATOM 343 N ILE A 3 -1.755 -5.849 5.489 1.00 0.00 N ATOM 344 CA ILE A 3 -1.254 -5.245 4.260 1.00 0.00 C ATOM 345 C ILE A 3 0.028 -4.463 4.519 1.00 0.00 C ATOM 346 O ILE A 3 0.369 -4.178 5.666 1.00 0.00 O ATOM 347 CB ILE A 3 -2.297 -4.305 3.627 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.845 -3.334 4.675 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.425 -5.111 3.001 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.551 -2.141 4.081 1.00 0.00 C ATOM 0 H ILE A 3 -2.308 -5.222 6.073 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.047 -6.061 3.568 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.812 -3.725 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.537 -3.868 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.023 -2.985 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.154 -4.433 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.020 -5.764 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.910 -5.714 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.913 -1.496 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.857 -1.583 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.394 -2.480 3.479 1.00 0.00 H new ATOM 362 N PHE A 4 0.737 -4.120 3.449 1.00 0.00 N ATOM 363 CA PHE A 4 1.982 -3.372 3.572 1.00 0.00 C ATOM 364 C PHE A 4 1.846 -1.977 2.971 1.00 0.00 C ATOM 365 O PHE A 4 1.786 -1.815 1.753 1.00 0.00 O ATOM 366 CB PHE A 4 3.130 -4.134 2.904 1.00 0.00 C ATOM 367 CG PHE A 4 4.132 -4.659 3.890 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.719 -3.805 4.807 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.470 -6.002 3.917 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.627 -4.275 5.736 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.381 -6.480 4.841 1.00 0.00 C ATOM 372 CZ PHE A 4 5.960 -5.616 5.753 1.00 0.00 C ATOM 0 H PHE A 4 0.472 -4.347 2.491 1.00 0.00 H new ATOM 0 HA PHE A 4 2.207 -3.261 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.722 -4.966 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.634 -3.475 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.464 -2.756 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.018 -6.682 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.075 -3.596 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.641 -7.528 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.670 -5.988 6.476 1.00 0.00 H new ATOM 382 N VAL A 5 1.801 -0.971 3.838 1.00 0.00 N ATOM 383 CA VAL A 5 1.676 0.413 3.399 1.00 0.00 C ATOM 384 C VAL A 5 3.031 0.982 2.997 1.00 0.00 C ATOM 385 O VAL A 5 3.872 1.270 3.850 1.00 0.00 O ATOM 386 CB VAL A 5 1.066 1.301 4.502 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.779 2.696 3.968 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.198 0.666 5.063 1.00 0.00 C ATOM 0 H VAL A 5 1.849 -1.089 4.850 1.00 0.00 H new ATOM 0 HA VAL A 5 1.011 0.413 2.535 1.00 0.00 H new ATOM 0 HB VAL A 5 1.790 1.389 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.349 3.308 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.707 3.151 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.075 2.630 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.614 1.308 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.929 0.544 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.042 -0.309 5.487 1.00 0.00 H new ATOM 398 N LYS A 6 3.236 1.140 1.692 1.00 0.00 N ATOM 399 CA LYS A 6 4.491 1.673 1.173 1.00 0.00 C ATOM 400 C LYS A 6 4.381 3.174 0.921 1.00 0.00 C ATOM 401 O LYS A 6 3.493 3.629 0.200 1.00 0.00 O ATOM 402 CB LYS A 6 4.877 0.957 -0.122 1.00 0.00 C ATOM 403 CG LYS A 6 6.376 0.905 -0.366 1.00 0.00 C ATOM 404 CD LYS A 6 6.707 1.058 -1.842 1.00 0.00 C ATOM 405 CE LYS A 6 8.191 0.858 -2.104 1.00 0.00 C ATOM 406 NZ LYS A 6 8.439 0.176 -3.403 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.549 0.906 0.975 1.00 0.00 H new ATOM 0 HA LYS A 6 5.266 1.502 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.486 -0.060 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.398 1.460 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.866 1.697 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.773 -0.042 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.133 0.335 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.407 2.049 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.694 1.825 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.626 0.269 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.463 0.059 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.981 -0.758 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.047 0.750 -4.177 1.00 0.00 H new ATOM 420 N THR A 7 5.289 3.939 1.518 1.00 0.00 N ATOM 421 CA THR A 7 5.292 5.389 1.358 1.00 0.00 C ATOM 422 C THR A 7 6.123 5.802 0.146 1.00 0.00 C ATOM 423 O THR A 7 6.648 4.955 -0.577 1.00 0.00 O ATOM 424 CB THR A 7 5.837 6.063 2.618 1.00 0.00 C ATOM 425 OG1 THR A 7 7.219 5.800 2.770 1.00 0.00 O ATOM 426 CG2 THR A 7 5.141 5.613 3.884 1.00 0.00 C ATOM 0 H THR A 7 6.032 3.579 2.117 1.00 0.00 H new ATOM 0 HA THR A 7 4.263 5.713 1.198 1.00 0.00 H new ATOM 0 HB THR A 7 5.652 7.128 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.569 6.317 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.575 6.129 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.079 5.848 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.267 4.537 4.006 1.00 0.00 H new ATOM 434 N LEU A 8 6.240 7.108 -0.068 1.00 0.00 N ATOM 435 CA LEU A 8 7.007 7.635 -1.190 1.00 0.00 C ATOM 436 C LEU A 8 8.464 7.194 -1.110 1.00 0.00 C ATOM 437 O LEU A 8 8.999 6.610 -2.052 1.00 0.00 O ATOM 438 CB LEU A 8 6.927 9.162 -1.220 1.00 0.00 C ATOM 439 CG LEU A 8 5.535 9.732 -1.501 1.00 0.00 C ATOM 440 CD1 LEU A 8 5.218 10.883 -0.565 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.432 10.205 -2.937 1.00 0.00 C ATOM 0 H LEU A 8 5.813 7.822 0.522 1.00 0.00 H new ATOM 0 HA LEU A 8 6.575 7.237 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.274 9.548 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.615 9.532 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 8 4.812 8.934 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.223 11.269 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.249 10.532 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.953 11.676 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.435 10.607 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.175 10.982 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.612 9.367 -3.610 1.00 0.00 H new ATOM 453 N THR A 9 9.102 7.478 0.022 1.00 0.00 N ATOM 454 CA THR A 9 10.499 7.111 0.227 1.00 0.00 C ATOM 455 C THR A 9 10.704 5.611 0.038 1.00 0.00 C ATOM 456 O THR A 9 11.791 5.165 -0.329 1.00 0.00 O ATOM 457 CB THR A 9 10.957 7.528 1.626 1.00 0.00 C ATOM 458 OG1 THR A 9 10.108 6.976 2.616 1.00 0.00 O ATOM 459 CG2 THR A 9 10.981 9.028 1.824 1.00 0.00 C ATOM 0 H THR A 9 8.673 7.961 0.811 1.00 0.00 H new ATOM 0 HA THR A 9 11.098 7.636 -0.517 1.00 0.00 H new ATOM 0 HB THR A 9 11.974 7.149 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.418 7.252 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.314 9.256 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.666 9.479 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.980 9.431 1.672 1.00 0.00 H new ATOM 467 N GLY A 10 9.653 4.837 0.293 1.00 0.00 N ATOM 468 CA GLY A 10 9.739 3.396 0.144 1.00 0.00 C ATOM 469 C GLY A 10 9.584 2.667 1.465 1.00 0.00 C ATOM 470 O GLY A 10 10.131 1.579 1.647 1.00 0.00 O ATOM 0 H GLY A 10 8.744 5.182 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.966 3.058 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.700 3.136 -0.300 1.00 0.00 H new ATOM 474 N LYS A 11 8.839 3.267 2.387 1.00 0.00 N ATOM 475 CA LYS A 11 8.616 2.666 3.696 1.00 0.00 C ATOM 476 C LYS A 11 7.379 1.774 3.681 1.00 0.00 C ATOM 477 O LYS A 11 6.249 2.260 3.744 1.00 0.00 O ATOM 478 CB LYS A 11 8.464 3.752 4.763 1.00 0.00 C ATOM 479 CG LYS A 11 8.148 3.206 6.149 1.00 0.00 C ATOM 480 CD LYS A 11 9.292 3.423 7.119 1.00 0.00 C ATOM 481 CE LYS A 11 9.773 2.113 7.722 1.00 0.00 C ATOM 482 NZ LYS A 11 10.895 2.320 8.679 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.380 4.168 2.252 1.00 0.00 H new ATOM 0 HA LYS A 11 9.483 2.051 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.385 4.333 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.671 4.437 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.250 3.690 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.930 2.140 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.119 3.912 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.972 4.094 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.945 1.624 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.095 1.443 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.194 1.403 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.695 2.764 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.581 2.938 9.454 1.00 0.00 H new ATOM 496 N THR A 12 7.602 0.467 3.603 1.00 0.00 N ATOM 497 CA THR A 12 6.510 -0.498 3.586 1.00 0.00 C ATOM 498 C THR A 12 6.338 -1.133 4.961 1.00 0.00 C ATOM 499 O THR A 12 7.161 -1.942 5.386 1.00 0.00 O ATOM 500 CB THR A 12 6.774 -1.582 2.538 1.00 0.00 C ATOM 501 OG1 THR A 12 7.779 -1.169 1.629 1.00 0.00 O ATOM 502 CG2 THR A 12 5.547 -1.945 1.729 1.00 0.00 C ATOM 0 H THR A 12 8.532 0.051 3.550 1.00 0.00 H new ATOM 0 HA THR A 12 5.591 0.027 3.326 1.00 0.00 H new ATOM 0 HB THR A 12 7.089 -2.458 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.934 -1.877 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.804 -2.718 1.005 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.768 -2.316 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.184 -1.062 1.203 1.00 0.00 H new ATOM 510 N ILE A 13 5.267 -0.760 5.658 1.00 0.00 N ATOM 511 CA ILE A 13 5.009 -1.298 6.990 1.00 0.00 C ATOM 512 C ILE A 13 3.793 -2.220 7.008 1.00 0.00 C ATOM 513 O ILE A 13 2.775 -1.939 6.377 1.00 0.00 O ATOM 514 CB ILE A 13 4.791 -0.180 8.024 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.046 0.656 8.180 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.411 -0.779 9.355 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.232 -0.149 8.621 1.00 0.00 C ATOM 0 H ILE A 13 4.570 -0.093 5.326 1.00 0.00 H new ATOM 0 HA ILE A 13 5.897 -1.871 7.257 1.00 0.00 H new ATOM 0 HB ILE A 13 3.985 0.463 7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.274 1.140 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.861 1.448 8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.258 0.018 10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.490 -1.352 9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.209 -1.436 9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.100 0.504 8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.020 -0.612 9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.440 -0.925 7.884 1.00 0.00 H new ATOM 529 N THR A 14 3.910 -3.318 7.750 1.00 0.00 N ATOM 530 CA THR A 14 2.822 -4.279 7.868 1.00 0.00 C ATOM 531 C THR A 14 1.750 -3.743 8.805 1.00 0.00 C ATOM 532 O THR A 14 1.967 -3.622 10.011 1.00 0.00 O ATOM 533 CB THR A 14 3.343 -5.621 8.383 1.00 0.00 C ATOM 534 OG1 THR A 14 4.741 -5.729 8.185 1.00 0.00 O ATOM 535 CG2 THR A 14 2.689 -6.811 7.712 1.00 0.00 C ATOM 0 H THR A 14 4.748 -3.563 8.278 1.00 0.00 H new ATOM 0 HA THR A 14 2.388 -4.431 6.880 1.00 0.00 H new ATOM 0 HB THR A 14 3.095 -5.639 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.955 -5.534 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.102 -7.732 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.614 -6.784 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.879 -6.774 6.639 1.00 0.00 H new ATOM 543 N LEU A 15 0.598 -3.412 8.242 1.00 0.00 N ATOM 544 CA LEU A 15 -0.506 -2.877 9.023 1.00 0.00 C ATOM 545 C LEU A 15 -1.763 -3.720 8.835 1.00 0.00 C ATOM 546 O LEU A 15 -2.220 -3.936 7.711 1.00 0.00 O ATOM 547 CB LEU A 15 -0.761 -1.423 8.620 1.00 0.00 C ATOM 548 CG LEU A 15 -1.494 -0.575 9.656 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.814 -1.219 10.036 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.624 -0.366 10.887 1.00 0.00 C ATOM 0 H LEU A 15 0.403 -3.505 7.245 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.241 -2.911 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.197 -0.951 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.338 -1.416 7.695 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.704 0.400 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.322 -0.600 10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.441 -1.313 9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.629 -2.207 10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.163 0.241 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.381 -1.332 11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.296 0.143 10.600 1.00 0.00 H new ATOM 562 N GLU A 16 -2.311 -4.204 9.946 1.00 0.00 N ATOM 563 CA GLU A 16 -3.510 -5.034 9.915 1.00 0.00 C ATOM 564 C GLU A 16 -4.769 -4.179 9.806 1.00 0.00 C ATOM 565 O GLU A 16 -5.013 -3.306 10.639 1.00 0.00 O ATOM 566 CB GLU A 16 -3.578 -5.906 11.172 1.00 0.00 C ATOM 567 CG GLU A 16 -4.819 -6.774 11.251 1.00 0.00 C ATOM 568 CD GLU A 16 -5.045 -7.592 9.995 1.00 0.00 C ATOM 569 OE1 GLU A 16 -4.188 -8.443 9.678 1.00 0.00 O ATOM 570 OE2 GLU A 16 -6.080 -7.381 9.328 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.942 -4.035 10.882 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.456 -5.674 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.696 -6.546 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.540 -5.263 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.734 -7.445 12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.689 -6.141 11.428 1.00 0.00 H new ATOM 577 N VAL A 17 -5.567 -4.444 8.776 1.00 0.00 N ATOM 578 CA VAL A 17 -6.804 -3.707 8.555 1.00 0.00 C ATOM 579 C VAL A 17 -7.853 -4.592 7.891 1.00 0.00 C ATOM 580 O VAL A 17 -7.623 -5.145 6.816 1.00 0.00 O ATOM 581 CB VAL A 17 -6.576 -2.460 7.680 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.888 -1.361 8.475 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.770 -2.817 6.439 1.00 0.00 C ATOM 0 H VAL A 17 -5.377 -5.166 8.081 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.160 -3.389 9.535 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.548 -2.085 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.737 -0.490 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.510 -1.084 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.923 -1.720 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.619 -1.923 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.802 -3.221 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.310 -3.563 5.856 1.00 0.00 H new ATOM 593 N GLU A 18 -9.005 -4.724 8.539 1.00 0.00 N ATOM 594 CA GLU A 18 -10.089 -5.545 8.012 1.00 0.00 C ATOM 595 C GLU A 18 -10.687 -4.917 6.754 1.00 0.00 C ATOM 596 O GLU A 18 -10.807 -3.695 6.660 1.00 0.00 O ATOM 597 CB GLU A 18 -11.178 -5.730 9.071 1.00 0.00 C ATOM 598 CG GLU A 18 -10.970 -6.952 9.950 1.00 0.00 C ATOM 599 CD GLU A 18 -9.872 -6.752 10.976 1.00 0.00 C ATOM 600 OE1 GLU A 18 -10.005 -5.837 11.816 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -8.879 -7.508 10.939 1.00 0.00 O ATOM 0 H GLU A 18 -9.212 -4.273 9.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.678 -6.520 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.215 -4.841 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.145 -5.810 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.902 -7.189 10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.724 -7.809 9.323 1.00 0.00 H new ATOM 608 N PRO A 19 -11.073 -5.746 5.767 1.00 0.00 N ATOM 609 CA PRO A 19 -11.661 -5.260 4.515 1.00 0.00 C ATOM 610 C PRO A 19 -12.872 -4.363 4.755 1.00 0.00 C ATOM 611 O PRO A 19 -13.156 -3.463 3.966 1.00 0.00 O ATOM 612 CB PRO A 19 -12.085 -6.542 3.792 1.00 0.00 C ATOM 613 CG PRO A 19 -11.216 -7.608 4.364 1.00 0.00 C ATOM 614 CD PRO A 19 -10.969 -7.217 5.794 1.00 0.00 C ATOM 0 HA PRO A 19 -10.958 -4.650 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.140 -6.760 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.945 -6.453 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.702 -8.582 4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.279 -7.685 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.705 -7.660 6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.987 -7.545 6.137 1.00 0.00 H new ATOM 622 N SER A 20 -13.580 -4.617 5.851 1.00 0.00 N ATOM 623 CA SER A 20 -14.760 -3.834 6.196 1.00 0.00 C ATOM 624 C SER A 20 -14.365 -2.500 6.822 1.00 0.00 C ATOM 625 O SER A 20 -15.071 -1.501 6.677 1.00 0.00 O ATOM 626 CB SER A 20 -15.654 -4.617 7.159 1.00 0.00 C ATOM 627 OG SER A 20 -16.171 -5.783 6.542 1.00 0.00 O ATOM 0 H SER A 20 -13.357 -5.359 6.515 1.00 0.00 H new ATOM 0 HA SER A 20 -15.313 -3.634 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.084 -4.894 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.476 -3.984 7.493 1.00 0.00 H new ATOM 0 HG SER A 20 -16.738 -6.266 7.179 1.00 0.00 H new ATOM 633 N ASP A 21 -13.233 -2.491 7.518 1.00 0.00 N ATOM 634 CA ASP A 21 -12.743 -1.279 8.166 1.00 0.00 C ATOM 635 C ASP A 21 -12.528 -0.165 7.146 1.00 0.00 C ATOM 636 O ASP A 21 -12.042 -0.407 6.041 1.00 0.00 O ATOM 637 CB ASP A 21 -11.437 -1.565 8.909 1.00 0.00 C ATOM 638 CG ASP A 21 -11.648 -2.432 10.136 1.00 0.00 C ATOM 639 OD1 ASP A 21 -12.680 -3.133 10.196 1.00 0.00 O ATOM 640 OD2 ASP A 21 -10.781 -2.409 11.035 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.638 -3.309 7.648 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.496 -0.951 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.739 -2.059 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.978 -0.623 9.208 1.00 0.00 H new ATOM 645 N THR A 22 -12.892 1.056 7.525 1.00 0.00 N ATOM 646 CA THR A 22 -12.739 2.206 6.642 1.00 0.00 C ATOM 647 C THR A 22 -11.308 2.734 6.681 1.00 0.00 C ATOM 648 O THR A 22 -10.486 2.270 7.471 1.00 0.00 O ATOM 649 CB THR A 22 -13.714 3.314 7.040 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.360 3.866 8.296 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.149 2.843 7.133 1.00 0.00 C ATOM 0 H THR A 22 -13.294 1.274 8.437 1.00 0.00 H new ATOM 0 HA THR A 22 -12.962 1.884 5.625 1.00 0.00 H new ATOM 0 HB THR A 22 -13.644 4.059 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.995 4.574 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.788 3.678 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.469 2.457 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.225 2.054 7.882 1.00 0.00 H new ATOM 659 N ILE A 23 -11.017 3.705 5.821 1.00 0.00 N ATOM 660 CA ILE A 23 -9.685 4.294 5.757 1.00 0.00 C ATOM 661 C ILE A 23 -9.295 4.913 7.096 1.00 0.00 C ATOM 662 O ILE A 23 -8.139 4.840 7.511 1.00 0.00 O ATOM 663 CB ILE A 23 -9.597 5.374 4.660 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.055 4.805 3.315 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.177 5.913 4.556 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.276 3.583 2.879 1.00 0.00 C ATOM 0 H ILE A 23 -11.685 4.100 5.160 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.994 3.487 5.515 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.258 6.198 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.112 4.548 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.961 5.577 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.133 6.674 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.884 6.352 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.496 5.099 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.654 3.234 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.221 3.840 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.391 2.794 3.622 1.00 0.00 H new ATOM 678 N GLU A 24 -10.267 5.524 7.766 1.00 0.00 N ATOM 679 CA GLU A 24 -10.022 6.158 9.057 1.00 0.00 C ATOM 680 C GLU A 24 -9.461 5.155 10.061 1.00 0.00 C ATOM 681 O GLU A 24 -8.545 5.472 10.818 1.00 0.00 O ATOM 682 CB GLU A 24 -11.312 6.775 9.600 1.00 0.00 C ATOM 683 CG GLU A 24 -11.089 8.055 10.388 1.00 0.00 C ATOM 684 CD GLU A 24 -12.321 8.486 11.161 1.00 0.00 C ATOM 685 OE1 GLU A 24 -13.311 8.895 10.519 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -12.293 8.416 12.408 1.00 0.00 O ATOM 0 H GLU A 24 -11.230 5.594 7.437 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.284 6.947 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.984 6.983 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.812 6.047 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.261 7.910 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.796 8.852 9.704 1.00 0.00 H new ATOM 693 N ASN A 25 -10.011 3.944 10.057 1.00 0.00 N ATOM 694 CA ASN A 25 -9.555 2.894 10.966 1.00 0.00 C ATOM 695 C ASN A 25 -8.124 2.484 10.630 1.00 0.00 C ATOM 696 O ASN A 25 -7.348 2.099 11.507 1.00 0.00 O ATOM 697 CB ASN A 25 -10.481 1.680 10.884 1.00 0.00 C ATOM 698 CG ASN A 25 -10.490 0.872 12.166 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.739 1.157 13.099 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.342 -0.145 12.219 1.00 0.00 N ATOM 0 H ASN A 25 -10.771 3.665 9.437 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.578 3.285 11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.494 2.014 10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.167 1.042 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.392 -0.725 13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.947 -0.346 11.422 1.00 0.00 H new ATOM 707 N VAL A 26 -7.783 2.586 9.353 1.00 0.00 N ATOM 708 CA VAL A 26 -6.448 2.242 8.885 1.00 0.00 C ATOM 709 C VAL A 26 -5.478 3.347 9.253 1.00 0.00 C ATOM 710 O VAL A 26 -4.508 3.117 9.976 1.00 0.00 O ATOM 711 CB VAL A 26 -6.440 2.016 7.367 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.195 1.252 6.938 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.702 1.276 6.957 1.00 0.00 C ATOM 0 H VAL A 26 -8.416 2.906 8.620 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.140 1.314 9.367 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.419 2.983 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.213 1.104 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.307 1.821 7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.173 0.283 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.696 1.116 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.741 0.313 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.576 1.867 7.231 1.00 0.00 H new ATOM 723 N LYS A 27 -5.773 4.564 8.803 1.00 0.00 N ATOM 724 CA LYS A 27 -4.944 5.709 9.149 1.00 0.00 C ATOM 725 C LYS A 27 -4.882 5.814 10.667 1.00 0.00 C ATOM 726 O LYS A 27 -3.935 6.354 11.235 1.00 0.00 O ATOM 727 CB LYS A 27 -5.517 6.993 8.549 1.00 0.00 C ATOM 728 CG LYS A 27 -5.695 6.928 7.042 1.00 0.00 C ATOM 729 CD LYS A 27 -4.373 6.680 6.339 1.00 0.00 C ATOM 730 CE LYS A 27 -4.534 5.726 5.167 1.00 0.00 C ATOM 731 NZ LYS A 27 -5.144 4.433 5.584 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.571 4.779 8.205 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.942 5.574 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.481 7.203 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.857 7.825 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.397 6.133 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.129 7.862 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.965 7.627 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.655 6.269 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.156 6.191 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.560 5.539 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.007 3.727 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.690 4.101 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.162 4.567 5.752 1.00 0.00 H new ATOM 745 N ALA A 28 -5.908 5.256 11.306 1.00 0.00 N ATOM 746 CA ALA A 28 -6.007 5.227 12.751 1.00 0.00 C ATOM 747 C ALA A 28 -4.865 4.402 13.328 1.00 0.00 C ATOM 748 O ALA A 28 -4.044 4.903 14.096 1.00 0.00 O ATOM 749 CB ALA A 28 -7.348 4.635 13.148 1.00 0.00 C ATOM 0 H ALA A 28 -6.693 4.812 10.829 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.935 6.240 13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.428 4.611 14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.152 5.247 12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.429 3.621 12.756 1.00 0.00 H new ATOM 755 N LYS A 29 -4.812 3.133 12.931 1.00 0.00 N ATOM 756 CA LYS A 29 -3.758 2.238 13.388 1.00 0.00 C ATOM 757 C LYS A 29 -2.401 2.762 12.932 1.00 0.00 C ATOM 758 O LYS A 29 -1.441 2.789 13.701 1.00 0.00 O ATOM 759 CB LYS A 29 -3.982 0.825 12.848 1.00 0.00 C ATOM 760 CG LYS A 29 -5.401 0.315 13.037 1.00 0.00 C ATOM 761 CD LYS A 29 -5.900 -0.415 11.800 1.00 0.00 C ATOM 762 CE LYS A 29 -7.399 -0.656 11.862 1.00 0.00 C ATOM 763 NZ LYS A 29 -8.017 -0.667 10.507 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.485 2.704 12.296 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.780 2.199 14.477 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.738 0.809 11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.291 0.143 13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.436 -0.356 13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.063 1.152 13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.661 0.168 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.381 -1.369 11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.593 -1.607 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.867 0.120 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.044 -0.527 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.610 0.099 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.829 -1.581 10.047 1.00 0.00 H new ATOM 777 N ILE A 30 -2.338 3.192 11.674 1.00 0.00 N ATOM 778 CA ILE A 30 -1.108 3.734 11.115 1.00 0.00 C ATOM 779 C ILE A 30 -0.684 4.986 11.878 1.00 0.00 C ATOM 780 O ILE A 30 0.499 5.323 11.934 1.00 0.00 O ATOM 781 CB ILE A 30 -1.268 4.080 9.616 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.672 2.834 8.825 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.024 4.665 9.060 1.00 0.00 C ATOM 784 CD1 ILE A 30 -2.047 3.124 7.389 1.00 0.00 C ATOM 0 H ILE A 30 -3.125 3.175 11.025 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.341 2.966 11.212 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.054 4.828 9.516 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.847 2.121 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.516 2.356 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.109 4.902 8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.277 5.573 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.829 3.939 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.322 2.195 6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.892 3.812 7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.198 3.574 6.875 1.00 0.00 H new ATOM 796 N GLN A 31 -1.663 5.666 12.471 1.00 0.00 N ATOM 797 CA GLN A 31 -1.403 6.876 13.237 1.00 0.00 C ATOM 798 C GLN A 31 -0.810 6.532 14.599 1.00 0.00 C ATOM 799 O GLN A 31 0.094 7.211 15.083 1.00 0.00 O ATOM 800 CB GLN A 31 -2.696 7.678 13.413 1.00 0.00 C ATOM 801 CG GLN A 31 -2.538 8.909 14.291 1.00 0.00 C ATOM 802 CD GLN A 31 -2.697 8.599 15.766 1.00 0.00 C ATOM 803 OE1 GLN A 31 -1.716 8.511 16.504 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.940 8.426 16.204 1.00 0.00 N ATOM 0 H GLN A 31 -2.646 5.396 12.434 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.682 7.483 12.689 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.058 7.986 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.459 7.030 13.845 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.555 9.349 14.120 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.276 9.656 13.999 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.725 8.508 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.109 8.211 17.187 1.00 0.00 H new ATOM 813 N ASP A 32 -1.324 5.471 15.211 1.00 0.00 N ATOM 814 CA ASP A 32 -0.844 5.036 16.518 1.00 0.00 C ATOM 815 C ASP A 32 0.404 4.163 16.389 1.00 0.00 C ATOM 816 O ASP A 32 1.077 3.882 17.381 1.00 0.00 O ATOM 817 CB ASP A 32 -1.941 4.267 17.255 1.00 0.00 C ATOM 818 CG ASP A 32 -1.938 4.540 18.746 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.874 5.727 19.132 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.996 3.568 19.528 1.00 0.00 O ATOM 0 H ASP A 32 -2.072 4.896 14.824 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.580 5.926 17.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.912 4.539 16.841 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.809 3.199 17.084 1.00 0.00 H new ATOM 825 N LYS A 33 0.709 3.732 15.167 1.00 0.00 N ATOM 826 CA LYS A 33 1.876 2.889 14.924 1.00 0.00 C ATOM 827 C LYS A 33 3.052 3.708 14.397 1.00 0.00 C ATOM 828 O LYS A 33 4.211 3.353 14.615 1.00 0.00 O ATOM 829 CB LYS A 33 1.528 1.778 13.930 1.00 0.00 C ATOM 830 CG LYS A 33 1.217 0.445 14.592 1.00 0.00 C ATOM 831 CD LYS A 33 1.773 -0.718 13.791 1.00 0.00 C ATOM 832 CE LYS A 33 3.084 -1.221 14.373 1.00 0.00 C ATOM 833 NZ LYS A 33 4.013 -0.104 14.699 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.166 3.952 14.332 1.00 0.00 H new ATOM 0 HA LYS A 33 2.170 2.444 15.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.668 2.089 13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.361 1.646 13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.638 0.430 15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.138 0.333 14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.046 -1.530 13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.928 -0.408 12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.882 -1.800 15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.562 -1.895 13.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.967 -0.483 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.041 0.567 13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.681 0.385 15.555 1.00 0.00 H new ATOM 847 N GLU A 34 2.750 4.798 13.698 1.00 0.00 N ATOM 848 CA GLU A 34 3.792 5.654 13.136 1.00 0.00 C ATOM 849 C GLU A 34 3.708 7.073 13.692 1.00 0.00 C ATOM 850 O GLU A 34 4.730 7.726 13.901 1.00 0.00 O ATOM 851 CB GLU A 34 3.681 5.685 11.611 1.00 0.00 C ATOM 852 CG GLU A 34 4.529 4.632 10.918 1.00 0.00 C ATOM 853 CD GLU A 34 6.015 4.849 11.125 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.575 5.764 10.486 1.00 0.00 O ATOM 855 OE2 GLU A 34 6.618 4.106 11.928 1.00 0.00 O1- ATOM 0 H GLU A 34 1.798 5.109 13.507 1.00 0.00 H new ATOM 0 HA GLU A 34 4.757 5.236 13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.638 5.543 11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.977 6.671 11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.254 3.646 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.310 4.640 9.850 1.00 0.00 H new ATOM 862 N GLY A 35 2.489 7.549 13.924 1.00 0.00 N ATOM 863 CA GLY A 35 2.306 8.891 14.447 1.00 0.00 C ATOM 864 C GLY A 35 1.897 9.876 13.370 1.00 0.00 C ATOM 865 O GLY A 35 2.192 11.067 13.462 1.00 0.00 O ATOM 0 H GLY A 35 1.626 7.031 13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.546 8.874 15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.233 9.227 14.911 1.00 0.00 H new ATOM 869 N ILE A 36 1.218 9.374 12.342 1.00 0.00 N ATOM 870 CA ILE A 36 0.769 10.211 11.237 1.00 0.00 C ATOM 871 C ILE A 36 -0.743 10.424 11.286 1.00 0.00 C ATOM 872 O ILE A 36 -1.514 9.511 10.991 1.00 0.00 O ATOM 873 CB ILE A 36 1.141 9.585 9.879 1.00 0.00 C ATOM 874 CG1 ILE A 36 2.603 9.139 9.880 1.00 0.00 C ATOM 875 CG2 ILE A 36 0.884 10.572 8.750 1.00 0.00 C ATOM 876 CD1 ILE A 36 2.982 8.318 8.667 1.00 0.00 C ATOM 0 H ILE A 36 0.967 8.389 12.253 1.00 0.00 H new ATOM 0 HA ILE A 36 1.272 11.172 11.341 1.00 0.00 H new ATOM 0 HB ILE A 36 0.514 8.708 9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.244 10.020 9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.796 8.555 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.152 10.114 7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.172 10.844 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.487 11.467 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.033 8.035 8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.366 7.419 8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.821 8.907 7.764 1.00 0.00 H new ATOM 888 N PRO A 37 -1.194 11.637 11.658 1.00 0.00 N ATOM 889 CA PRO A 37 -2.623 11.954 11.739 1.00 0.00 C ATOM 890 C PRO A 37 -3.366 11.611 10.449 1.00 0.00 C ATOM 891 O PRO A 37 -2.798 11.690 9.359 1.00 0.00 O ATOM 892 CB PRO A 37 -2.643 13.465 11.981 1.00 0.00 C ATOM 893 CG PRO A 37 -1.331 13.763 12.622 1.00 0.00 C ATOM 894 CD PRO A 37 -0.351 12.790 12.029 1.00 0.00 C ATOM 0 HA PRO A 37 -3.123 11.379 12.519 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.761 14.014 11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.473 13.752 12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.026 14.791 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.390 13.647 13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.158 13.211 11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.420 12.509 12.746 1.00 0.00 H new ATOM 902 N PRO A 38 -4.649 11.222 10.553 1.00 0.00 N ATOM 903 CA PRO A 38 -5.463 10.865 9.385 1.00 0.00 C ATOM 904 C PRO A 38 -5.509 11.980 8.345 1.00 0.00 C ATOM 905 O PRO A 38 -5.587 11.717 7.144 1.00 0.00 O ATOM 906 CB PRO A 38 -6.859 10.632 9.974 1.00 0.00 C ATOM 907 CG PRO A 38 -6.620 10.309 11.408 1.00 0.00 C ATOM 908 CD PRO A 38 -5.406 11.097 11.812 1.00 0.00 C ATOM 0 HA PRO A 38 -5.057 10.000 8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.486 11.517 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.371 9.816 9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.482 10.580 12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.455 9.240 11.545 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.676 12.072 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.829 10.581 12.579 1.00 0.00 H new ATOM 916 N ASP A 39 -5.461 13.223 8.811 1.00 0.00 N ATOM 917 CA ASP A 39 -5.500 14.376 7.918 1.00 0.00 C ATOM 918 C ASP A 39 -4.095 14.903 7.641 1.00 0.00 C ATOM 919 O ASP A 39 -3.902 16.101 7.431 1.00 0.00 O ATOM 920 CB ASP A 39 -6.362 15.485 8.522 1.00 0.00 C ATOM 921 CG ASP A 39 -7.169 16.226 7.473 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.279 15.762 7.140 1.00 0.00 O ATOM 923 OD2 ASP A 39 -6.690 17.270 6.984 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.395 13.458 9.801 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.939 14.055 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.039 15.054 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.722 16.192 9.051 1.00 0.00 H new ATOM 928 N GLN A 40 -3.118 14.003 7.643 1.00 0.00 N ATOM 929 CA GLN A 40 -1.730 14.379 7.392 1.00 0.00 C ATOM 930 C GLN A 40 -1.175 13.645 6.174 1.00 0.00 C ATOM 931 O GLN A 40 -0.403 14.206 5.397 1.00 0.00 O ATOM 932 CB GLN A 40 -0.869 14.079 8.620 1.00 0.00 C ATOM 933 CG GLN A 40 0.176 15.144 8.905 1.00 0.00 C ATOM 934 CD GLN A 40 1.362 15.064 7.963 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.424 14.191 7.096 1.00 0.00 O ATOM 936 NE2 GLN A 40 2.312 15.977 8.129 1.00 0.00 N ATOM 0 H GLN A 40 -3.261 13.008 7.816 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.702 15.450 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.516 13.975 9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.370 13.121 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.283 16.129 8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.525 15.040 9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.220 16.682 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.134 15.973 7.525 1.00 0.00 H new ATOM 945 N GLN A 41 -1.571 12.385 6.016 1.00 0.00 N ATOM 946 CA GLN A 41 -1.110 11.574 4.896 1.00 0.00 C ATOM 947 C GLN A 41 -2.256 11.256 3.940 1.00 0.00 C ATOM 948 O GLN A 41 -3.407 11.612 4.194 1.00 0.00 O ATOM 949 CB GLN A 41 -0.484 10.276 5.407 1.00 0.00 C ATOM 950 CG GLN A 41 -1.426 9.445 6.263 1.00 0.00 C ATOM 951 CD GLN A 41 -0.830 8.108 6.659 1.00 0.00 C ATOM 952 OE1 GLN A 41 -0.427 7.319 5.806 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.772 7.848 7.960 1.00 0.00 N ATOM 0 H GLN A 41 -2.210 11.905 6.650 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.358 12.146 4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.158 9.679 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.407 10.515 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.682 10.005 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.354 9.277 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.118 8.532 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.381 6.964 8.287 1.00 0.00 H new ATOM 962 N ARG A 42 -1.931 10.580 2.843 1.00 0.00 N ATOM 963 CA ARG A 42 -2.929 10.208 1.847 1.00 0.00 C ATOM 964 C ARG A 42 -2.565 8.878 1.192 1.00 0.00 C ATOM 965 O ARG A 42 -1.559 8.777 0.489 1.00 0.00 O ATOM 966 CB ARG A 42 -3.054 11.303 0.784 1.00 0.00 C ATOM 967 CG ARG A 42 -4.402 12.005 0.791 1.00 0.00 C ATOM 968 CD ARG A 42 -5.545 11.020 0.611 1.00 0.00 C ATOM 969 NE ARG A 42 -6.167 10.663 1.883 1.00 0.00 N ATOM 970 CZ ARG A 42 -6.985 11.468 2.559 1.00 0.00 C ATOM 971 NH1 ARG A 42 -7.280 12.673 2.088 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -7.508 11.065 3.709 1.00 0.00 N ATOM 0 H ARG A 42 -0.982 10.278 2.621 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.890 10.095 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.268 12.042 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.887 10.864 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.528 12.542 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.431 12.747 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.296 11.453 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.173 10.119 0.124 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.963 9.744 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.880 12.987 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.907 13.285 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.284 10.140 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.135 11.680 4.228 1.00 0.00 H new ATOM 986 N LEU A 43 -3.386 7.861 1.431 1.00 0.00 N ATOM 987 CA LEU A 43 -3.145 6.537 0.868 1.00 0.00 C ATOM 988 C LEU A 43 -3.833 6.381 -0.486 1.00 0.00 C ATOM 989 O LEU A 43 -4.884 6.972 -0.732 1.00 0.00 O ATOM 990 CB LEU A 43 -3.633 5.453 1.833 1.00 0.00 C ATOM 991 CG LEU A 43 -2.689 4.270 2.012 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.314 4.763 2.396 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.230 3.308 3.058 1.00 0.00 C ATOM 0 H LEU A 43 -4.223 7.928 2.010 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.071 6.425 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.807 5.909 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.594 5.080 1.479 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.615 3.732 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.645 3.912 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.929 5.414 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.375 5.319 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.542 2.470 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.331 3.826 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.205 2.937 2.742 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.231 5.577 -1.357 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.781 5.334 -2.685 1.00 0.00 C ATOM 1007 C ILE A 44 -3.545 3.890 -3.118 1.00 0.00 C ATOM 1008 O ILE A 44 -2.545 3.276 -2.747 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.162 6.277 -3.735 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.211 7.725 -3.246 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.885 6.137 -5.066 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.982 8.143 -2.470 1.00 0.00 C ATOM 0 H ILE A 44 -2.360 5.082 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.852 5.526 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.118 5.998 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.331 8.386 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.091 7.858 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.436 6.810 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.801 5.109 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.937 6.392 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.086 9.181 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.872 7.506 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.100 8.043 -3.103 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.472 3.355 -3.906 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.363 1.984 -4.390 1.00 0.00 C ATOM 1026 C PHE A 45 -5.347 1.729 -5.527 1.00 0.00 C ATOM 1027 O PHE A 45 -6.489 2.187 -5.489 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.616 0.997 -3.250 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.456 -0.442 -3.655 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.208 -1.041 -3.649 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.555 -1.191 -4.042 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.057 -2.364 -4.020 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.411 -2.514 -4.415 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.161 -3.101 -4.405 1.00 0.00 C ATOM 0 H PHE A 45 -5.306 3.850 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.352 1.838 -4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.929 1.215 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.625 1.148 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.342 -0.468 -3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.535 -0.736 -4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.078 -2.821 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.275 -3.088 -4.714 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.046 -4.134 -4.698 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.897 0.994 -6.539 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.736 0.675 -7.688 1.00 0.00 C ATOM 1046 C ALA A 46 -6.268 1.942 -8.349 1.00 0.00 C ATOM 1047 O ALA A 46 -7.429 2.006 -8.751 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.888 -0.225 -7.264 1.00 0.00 C ATOM 0 H ALA A 46 -3.954 0.608 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.124 0.146 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.507 -0.456 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.492 -1.150 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.491 0.285 -6.513 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.409 2.951 -8.458 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.811 4.204 -9.070 1.00 0.00 C ATOM 1056 C GLY A 47 -6.970 4.858 -8.345 1.00 0.00 C ATOM 1057 O GLY A 47 -7.733 5.619 -8.939 1.00 0.00 O ATOM 0 H GLY A 47 -4.442 2.923 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.962 4.888 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.091 4.024 -10.108 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.103 4.560 -7.056 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.178 5.124 -6.249 1.00 0.00 C ATOM 1063 C LYS A 48 -7.625 5.765 -4.979 1.00 0.00 C ATOM 1064 O LYS A 48 -6.840 5.153 -4.255 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.194 4.040 -5.886 1.00 0.00 C ATOM 1066 CG LYS A 48 -10.067 3.611 -7.054 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.396 2.129 -6.988 1.00 0.00 C ATOM 1068 CE LYS A 48 -11.153 1.671 -8.225 1.00 0.00 C ATOM 1069 NZ LYS A 48 -10.532 2.183 -9.478 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.480 3.932 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.675 5.895 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.663 3.170 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.832 4.406 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.990 4.190 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.556 3.830 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.475 1.555 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.993 1.927 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.179 0.582 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.186 2.013 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.789 1.562 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.875 3.146 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.498 2.199 -9.372 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.040 6.999 -4.716 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.586 7.724 -3.536 1.00 0.00 C ATOM 1085 C GLN A 49 -8.298 7.227 -2.282 1.00 0.00 C ATOM 1086 O GLN A 49 -9.502 7.421 -2.122 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.827 9.225 -3.711 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.336 9.769 -5.043 1.00 0.00 C ATOM 1089 CD GLN A 49 -5.990 10.459 -4.929 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.691 11.100 -3.921 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -5.171 10.333 -5.966 1.00 0.00 N ATOM 0 H GLN A 49 -8.691 7.518 -5.305 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.517 7.544 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.894 9.427 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.329 9.761 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.262 8.952 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.069 10.473 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.460 9.792 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.253 10.777 -5.948 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.544 6.584 -1.396 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.104 6.060 -0.155 1.00 0.00 C ATOM 1102 C LEU A 50 -8.434 7.194 0.811 1.00 0.00 C ATOM 1103 O LEU A 50 -7.694 7.452 1.759 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.120 5.087 0.501 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.256 3.630 0.056 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.108 3.512 -1.452 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.233 2.760 0.764 1.00 0.00 C ATOM 0 H LEU A 50 -6.545 6.413 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.025 5.529 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.105 5.423 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.252 5.135 1.582 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.252 3.280 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.208 2.467 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.883 4.103 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.127 3.881 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.344 1.727 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.229 3.111 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.390 2.817 1.841 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.552 7.870 0.561 1.00 0.00 N ATOM 1120 CA GLU A 51 -9.981 8.978 1.407 1.00 0.00 C ATOM 1121 C GLU A 51 -10.728 8.469 2.636 1.00 0.00 C ATOM 1122 O GLU A 51 -11.271 7.364 2.632 1.00 0.00 O ATOM 1123 CB GLU A 51 -10.872 9.936 0.616 1.00 0.00 C ATOM 1124 CG GLU A 51 -10.239 10.427 -0.676 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.027 11.550 -1.321 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -11.423 12.489 -0.598 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -11.248 11.492 -2.549 1.00 0.00 O ATOM 0 H GLU A 51 -10.176 7.670 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.091 9.512 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.812 9.436 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.114 10.795 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.225 10.770 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.159 9.595 -1.376 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.754 9.285 3.685 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.436 8.919 4.921 1.00 0.00 C ATOM 1136 C ASP A 52 -12.920 8.674 4.670 1.00 0.00 C ATOM 1137 O ASP A 52 -13.543 9.353 3.854 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.259 10.018 5.970 1.00 0.00 C ATOM 1139 CG ASP A 52 -11.670 11.383 5.453 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -11.170 11.787 4.381 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -12.491 12.047 6.119 1.00 0.00 O ATOM 0 H ASP A 52 -10.311 10.204 3.704 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.991 7.996 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.851 9.773 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.216 10.051 6.285 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.481 7.699 5.378 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.888 7.381 5.217 1.00 0.00 C ATOM 1148 C GLY A 53 -15.137 6.330 4.150 1.00 0.00 C ATOM 1149 O GLY A 53 -16.285 5.998 3.856 1.00 0.00 O ATOM 0 H GLY A 53 -12.987 7.124 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.287 7.028 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.434 8.289 4.960 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.062 5.802 3.567 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.179 4.783 2.531 1.00 0.00 C ATOM 1155 C ARG A 54 -13.771 3.415 3.066 1.00 0.00 C ATOM 1156 O ARG A 54 -12.898 3.310 3.927 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.316 5.152 1.323 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.891 6.284 0.488 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.139 5.845 -0.262 1.00 0.00 C ATOM 1160 NE ARG A 54 -14.824 5.312 -1.585 1.00 0.00 N ATOM 1161 CZ ARG A 54 -15.720 5.168 -2.559 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -16.986 5.515 -2.362 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -15.350 4.674 -3.732 1.00 0.00 N ATOM 0 H ARG A 54 -13.103 6.064 3.795 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.223 4.734 2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.322 5.436 1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.194 4.272 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.132 7.128 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.141 6.630 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.663 5.086 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.817 6.692 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.861 5.034 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.277 5.894 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.668 5.403 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.379 4.404 -3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.036 4.564 -4.478 1.00 0.00 H new ATOM 1177 N THR A 55 -14.409 2.369 2.553 1.00 0.00 N ATOM 1178 CA THR A 55 -14.114 1.008 2.982 1.00 0.00 C ATOM 1179 C THR A 55 -13.031 0.378 2.110 1.00 0.00 C ATOM 1180 O THR A 55 -12.869 0.740 0.946 1.00 0.00 O ATOM 1181 CB THR A 55 -15.381 0.151 2.937 1.00 0.00 C ATOM 1182 OG1 THR A 55 -16.143 0.444 1.779 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.278 0.347 4.139 1.00 0.00 C ATOM 0 H THR A 55 -15.134 2.438 1.839 1.00 0.00 H new ATOM 0 HA THR A 55 -13.746 1.052 4.007 1.00 0.00 H new ATOM 0 HB THR A 55 -15.032 -0.882 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.948 -0.115 1.767 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.158 -0.289 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.734 0.082 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.589 1.390 4.195 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.295 -0.568 2.686 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.229 -1.254 1.968 1.00 0.00 C ATOM 1193 C LEU A 56 -11.786 -2.103 0.834 1.00 0.00 C ATOM 1194 O LEU A 56 -11.283 -2.067 -0.290 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.430 -2.131 2.921 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.731 -1.397 4.065 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.435 -2.083 4.398 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.427 0.037 3.702 1.00 0.00 C ATOM 0 H LEU A 56 -12.419 -0.877 3.650 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.574 -0.495 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.100 -2.877 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.677 -2.670 2.346 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.406 -1.412 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.943 -1.554 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.635 -3.111 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.787 -2.082 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.930 0.527 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.775 0.061 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.356 0.560 3.475 1.00 0.00 H new ATOM 1210 N SER A 57 -12.830 -2.870 1.135 1.00 0.00 N ATOM 1211 CA SER A 57 -13.460 -3.734 0.146 1.00 0.00 C ATOM 1212 C SER A 57 -13.851 -2.946 -1.102 1.00 0.00 C ATOM 1213 O SER A 57 -13.930 -3.501 -2.198 1.00 0.00 O ATOM 1214 CB SER A 57 -14.690 -4.410 0.752 1.00 0.00 C ATOM 1215 OG SER A 57 -15.127 -3.729 1.917 1.00 0.00 O ATOM 0 H SER A 57 -13.258 -2.909 2.060 1.00 0.00 H new ATOM 0 HA SER A 57 -12.741 -4.498 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.495 -4.433 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.455 -5.445 0.999 1.00 0.00 H new ATOM 0 HG SER A 57 -15.916 -4.181 2.284 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.092 -1.650 -0.929 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.469 -0.788 -2.043 1.00 0.00 C ATOM 1223 C ASP A 58 -13.285 -0.570 -2.980 1.00 0.00 C ATOM 1224 O ASP A 58 -13.459 -0.399 -4.187 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.980 0.556 -1.525 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.764 1.319 -2.574 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -15.135 1.868 -3.504 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -17.008 1.369 -2.468 1.00 0.00 O1- ATOM 0 H ASP A 58 -14.033 -1.174 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.267 -1.279 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.612 0.390 -0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.135 1.161 -1.196 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.082 -0.579 -2.417 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.867 -0.385 -3.200 1.00 0.00 C ATOM 1235 C TYR A 59 -10.259 -1.723 -3.617 1.00 0.00 C ATOM 1236 O TYR A 59 -9.414 -1.777 -4.510 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.845 0.424 -2.400 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.270 1.851 -2.138 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.637 2.690 -3.183 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.305 2.359 -0.845 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -11.027 3.995 -2.948 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.694 3.663 -0.602 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.053 4.477 -1.655 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.440 5.775 -1.417 1.00 0.00 O ATOM 0 H TYR A 59 -11.922 -0.719 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.134 0.165 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.667 -0.074 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.897 0.430 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.617 2.316 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.024 1.725 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.310 4.634 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.717 4.043 0.409 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.944 6.378 -2.009 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.691 -2.801 -2.965 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.184 -4.136 -3.270 1.00 0.00 C ATOM 1256 C ASN A 60 -8.715 -4.260 -2.880 1.00 0.00 C ATOM 1257 O ASN A 60 -7.839 -4.367 -3.739 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.361 -4.448 -4.759 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.628 -5.918 -5.013 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -9.713 -6.742 -4.984 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.888 -6.255 -5.264 1.00 0.00 N ATOM 0 H ASN A 60 -11.390 -2.775 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.758 -4.857 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.187 -3.858 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.464 -4.145 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.129 -7.230 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.614 -5.539 -5.278 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.453 -4.244 -1.577 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.090 -4.354 -1.069 1.00 0.00 C ATOM 1270 C ILE A 61 -6.851 -5.718 -0.430 1.00 0.00 C ATOM 1271 O ILE A 61 -7.308 -5.983 0.681 1.00 0.00 O ATOM 1272 CB ILE A 61 -6.788 -3.253 -0.034 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.197 -1.883 -0.578 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.311 -3.263 0.334 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.343 -0.824 0.493 1.00 0.00 C ATOM 0 H ILE A 61 -9.167 -4.156 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.422 -4.234 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.369 -3.453 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.454 -1.553 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.142 -1.981 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.113 -2.480 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.049 -4.232 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.712 -3.085 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.635 0.120 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.107 -1.131 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.392 -0.697 1.011 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.132 -6.581 -1.143 1.00 0.00 N ATOM 1288 CA GLN A 62 -5.832 -7.919 -0.646 1.00 0.00 C ATOM 1289 C GLN A 62 -4.802 -7.865 0.479 1.00 0.00 C ATOM 1290 O GLN A 62 -4.368 -6.788 0.884 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.315 -8.803 -1.784 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.363 -9.103 -2.844 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.581 -9.806 -2.277 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.544 -11.002 -1.990 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.669 -9.064 -2.113 1.00 0.00 N ATOM 0 H GLN A 62 -5.747 -6.377 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.753 -8.347 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.463 -8.313 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.952 -9.743 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.673 -8.171 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.920 -9.724 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.655 -8.076 -2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.519 -9.482 -1.735 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.418 -9.035 0.978 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.439 -9.122 2.057 1.00 0.00 C ATOM 1306 C LYS A 63 -2.047 -8.743 1.560 1.00 0.00 C ATOM 1307 O LYS A 63 -1.697 -9.000 0.409 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.419 -10.533 2.647 1.00 0.00 C ATOM 1309 CG LYS A 63 -2.925 -11.595 1.677 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.075 -12.365 1.056 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.288 -13.703 1.748 1.00 0.00 C ATOM 1312 NZ LYS A 63 -4.876 -14.716 0.827 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.769 -9.936 0.653 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.731 -8.417 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.783 -10.538 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.425 -10.794 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.336 -11.124 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.264 -12.286 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.987 -11.772 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.875 -12.530 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.336 -14.070 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.946 -13.567 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.006 -15.614 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.797 -14.378 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.236 -14.865 0.020 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.259 -8.129 2.437 1.00 0.00 N ATOM 1327 CA GLU A 64 0.096 -7.712 2.091 1.00 0.00 C ATOM 1328 C GLU A 64 0.094 -6.805 0.863 1.00 0.00 C ATOM 1329 O GLU A 64 1.093 -6.705 0.152 1.00 0.00 O ATOM 1330 CB GLU A 64 0.980 -8.935 1.835 1.00 0.00 C ATOM 1331 CG GLU A 64 1.336 -9.703 3.096 1.00 0.00 C ATOM 1332 CD GLU A 64 2.283 -10.856 2.827 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.509 -10.622 2.790 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.797 -11.995 2.655 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.536 -7.909 3.394 1.00 0.00 H new ATOM 0 HA GLU A 64 0.500 -7.150 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.468 -9.605 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.898 -8.613 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.792 -9.023 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.424 -10.086 3.554 1.00 0.00 H new ATOM 1341 N SER A 65 -1.035 -6.145 0.620 1.00 0.00 N ATOM 1342 CA SER A 65 -1.162 -5.246 -0.520 1.00 0.00 C ATOM 1343 C SER A 65 -0.311 -3.996 -0.320 1.00 0.00 C ATOM 1344 O SER A 65 -0.234 -3.458 0.784 1.00 0.00 O ATOM 1345 CB SER A 65 -2.627 -4.854 -0.726 1.00 0.00 C ATOM 1346 OG SER A 65 -3.270 -5.739 -1.627 1.00 0.00 O ATOM 0 H SER A 65 -1.873 -6.216 1.197 1.00 0.00 H new ATOM 0 HA SER A 65 -0.806 -5.769 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.147 -4.864 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.684 -3.835 -1.109 1.00 0.00 H new ATOM 0 HG SER A 65 -3.978 -5.260 -2.106 1.00 0.00 H new ATOM 1352 N THR A 66 0.326 -3.542 -1.394 1.00 0.00 N ATOM 1353 CA THR A 66 1.172 -2.357 -1.330 1.00 0.00 C ATOM 1354 C THR A 66 0.341 -1.085 -1.460 1.00 0.00 C ATOM 1355 O THR A 66 -0.040 -0.688 -2.561 1.00 0.00 O ATOM 1356 CB THR A 66 2.240 -2.402 -2.426 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.996 -3.470 -3.325 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.641 -2.571 -1.882 1.00 0.00 C ATOM 0 H THR A 66 0.273 -3.975 -2.316 1.00 0.00 H new ATOM 0 HA THR A 66 1.664 -2.347 -0.358 1.00 0.00 H new ATOM 0 HB THR A 66 2.175 -1.440 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.689 -3.479 -4.018 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.352 -2.596 -2.708 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.879 -1.736 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.704 -3.504 -1.322 1.00 0.00 H new ATOM 1366 N LEU A 67 0.065 -0.447 -0.326 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.718 0.783 -0.312 1.00 0.00 C ATOM 1368 C LEU A 67 0.193 2.002 -0.415 1.00 0.00 C ATOM 1369 O LEU A 67 1.035 2.236 0.452 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.563 0.860 0.964 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.738 -0.114 1.029 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.644 0.218 2.204 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.528 -0.098 -0.273 1.00 0.00 C ATOM 0 H LEU A 67 0.372 -0.762 0.594 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.384 0.776 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.914 0.679 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.948 1.875 1.065 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.338 -1.118 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.475 -0.487 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.076 0.149 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.031 1.231 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.359 -0.799 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.914 0.906 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.877 -0.389 -1.097 1.00 0.00 H new ATOM 1385 N HIS A 68 0.023 2.773 -1.485 1.00 0.00 N ATOM 1386 CA HIS A 68 0.833 3.966 -1.705 1.00 0.00 C ATOM 1387 C HIS A 68 0.487 5.059 -0.701 1.00 0.00 C ATOM 1388 O HIS A 68 -0.614 5.608 -0.719 1.00 0.00 O ATOM 1389 CB HIS A 68 0.632 4.487 -3.130 1.00 0.00 C ATOM 1390 CG HIS A 68 1.062 3.518 -4.187 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.997 2.528 -3.966 1.00 0.00 N ATOM 1392 CD2 HIS A 68 0.679 3.388 -5.480 1.00 0.00 C ATOM 1393 CE1 HIS A 68 2.171 1.834 -5.077 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.383 2.336 -6.009 1.00 0.00 N ATOM 0 H HIS A 68 -0.668 2.593 -2.213 1.00 0.00 H new ATOM 0 HA HIS A 68 1.879 3.692 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.421 4.727 -3.275 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.190 5.415 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.046 3.999 -5.998 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.844 0.998 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.309 1.997 -6.968 1.00 0.00 H new ATOM 1403 N LEU A 69 1.437 5.373 0.175 1.00 0.00 N ATOM 1404 CA LEU A 69 1.232 6.404 1.187 1.00 0.00 C ATOM 1405 C LEU A 69 1.784 7.745 0.715 1.00 0.00 C ATOM 1406 O LEU A 69 2.830 7.805 0.069 1.00 0.00 O ATOM 1407 CB LEU A 69 1.904 6.000 2.502 1.00 0.00 C ATOM 1408 CG LEU A 69 1.222 6.517 3.762 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.571 5.647 4.961 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.630 7.951 4.007 1.00 0.00 C ATOM 0 H LEU A 69 2.355 4.929 0.204 1.00 0.00 H new ATOM 0 HA LEU A 69 0.159 6.508 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.946 4.912 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.933 6.359 2.491 1.00 0.00 H new ATOM 0 HG LEU A 69 0.142 6.474 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.073 6.035 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.241 4.625 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.650 5.657 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.141 8.319 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.711 8.005 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.332 8.564 3.157 1.00 0.00 H new ATOM 1422 N VAL A 70 1.076 8.820 1.045 1.00 0.00 N ATOM 1423 CA VAL A 70 1.495 10.162 0.656 1.00 0.00 C ATOM 1424 C VAL A 70 1.562 11.087 1.867 1.00 0.00 C ATOM 1425 O VAL A 70 0.549 11.642 2.293 1.00 0.00 O ATOM 1426 CB VAL A 70 0.542 10.769 -0.390 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.080 12.099 -0.898 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.328 9.800 -1.542 1.00 0.00 C ATOM 0 H VAL A 70 0.209 8.788 1.581 1.00 0.00 H new ATOM 0 HA VAL A 70 2.488 10.069 0.217 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.421 10.952 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.392 12.512 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.177 12.794 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.056 11.945 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.348 10.246 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.284 9.584 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.106 8.875 -1.163 1.00 0.00 H new ATOM 1438 N LEU A 71 2.762 11.250 2.415 1.00 0.00 N ATOM 1439 CA LEU A 71 2.961 12.109 3.577 1.00 0.00 C ATOM 1440 C LEU A 71 2.981 13.580 3.169 1.00 0.00 C ATOM 1441 O LEU A 71 3.857 14.014 2.420 1.00 0.00 O ATOM 1442 CB LEU A 71 4.267 11.742 4.288 1.00 0.00 C ATOM 1443 CG LEU A 71 4.098 11.133 5.682 1.00 0.00 C ATOM 1444 CD1 LEU A 71 3.554 12.168 6.654 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.183 9.919 5.625 1.00 0.00 C ATOM 0 H LEU A 71 3.611 10.799 2.073 1.00 0.00 H new ATOM 0 HA LEU A 71 2.128 11.955 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.816 11.037 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.881 12.639 4.372 1.00 0.00 H new ATOM 0 HG LEU A 71 5.076 10.810 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.440 11.717 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.246 13.008 6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.585 12.522 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.074 9.498 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.205 10.218 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.614 9.170 4.961 1.00 0.00 H new ATOM 1457 N ARG A 72 2.010 14.339 3.664 1.00 0.00 N ATOM 1458 CA ARG A 72 1.916 15.760 3.351 1.00 0.00 C ATOM 1459 C ARG A 72 3.154 16.507 3.835 1.00 0.00 C ATOM 1460 O ARG A 72 3.882 16.027 4.704 1.00 0.00 O ATOM 1461 CB ARG A 72 0.662 16.362 3.987 1.00 0.00 C ATOM 1462 CG ARG A 72 0.421 17.813 3.604 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.859 18.349 4.222 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.119 19.732 3.831 1.00 0.00 N ATOM 1465 CZ ARG A 72 -2.034 20.506 4.411 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -2.778 20.037 5.405 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -2.206 21.754 3.995 1.00 0.00 N ATOM 0 H ARG A 72 1.277 13.994 4.284 1.00 0.00 H new ATOM 0 HA ARG A 72 1.851 15.864 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.204 15.769 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.745 16.290 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.265 18.421 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.366 17.899 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.698 17.723 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.791 18.286 5.308 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.568 20.128 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.651 19.078 5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.477 20.635 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.637 22.120 3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.907 22.348 4.439 1.00 0.00 H new ATOM 1481 N LEU A 73 3.387 17.686 3.267 1.00 0.00 N ATOM 1482 CA LEU A 73 4.538 18.500 3.640 1.00 0.00 C ATOM 1483 C LEU A 73 4.412 18.996 5.077 1.00 0.00 C ATOM 1484 O LEU A 73 3.306 19.205 5.577 1.00 0.00 O ATOM 1485 CB LEU A 73 4.677 19.690 2.688 1.00 0.00 C ATOM 1486 CG LEU A 73 5.953 20.515 2.865 1.00 0.00 C ATOM 1487 CD1 LEU A 73 7.080 19.945 2.018 1.00 0.00 C ATOM 1488 CD2 LEU A 73 5.698 21.972 2.507 1.00 0.00 C ATOM 0 H LEU A 73 2.794 18.099 2.547 1.00 0.00 H new ATOM 0 HA LEU A 73 5.430 17.878 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.640 19.322 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.817 20.346 2.823 1.00 0.00 H new ATOM 0 HG LEU A 73 6.253 20.465 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.979 20.545 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.279 18.917 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.791 19.963 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.616 22.545 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.373 22.040 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.922 22.376 3.157 1.00 0.00 H new ATOM 1500 N ARG A 74 5.550 19.181 5.737 1.00 0.00 N ATOM 1501 CA ARG A 74 5.567 19.652 7.116 1.00 0.00 C ATOM 1502 C ARG A 74 6.800 20.509 7.383 1.00 0.00 C ATOM 1503 O ARG A 74 7.931 20.068 7.184 1.00 0.00 O ATOM 1504 CB ARG A 74 5.538 18.465 8.083 1.00 0.00 C ATOM 1505 CG ARG A 74 5.440 18.873 9.544 1.00 0.00 C ATOM 1506 CD ARG A 74 5.338 17.661 10.454 1.00 0.00 C ATOM 1507 NE ARG A 74 6.061 17.856 11.709 1.00 0.00 N ATOM 1508 CZ ARG A 74 6.299 16.883 12.586 1.00 0.00 C ATOM 1509 NH1 ARG A 74 5.874 15.648 12.349 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 6.964 17.147 13.703 1.00 0.00 N ATOM 0 H ARG A 74 6.473 19.012 5.338 1.00 0.00 H new ATOM 0 HA ARG A 74 4.679 20.264 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.691 17.826 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.439 17.869 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.315 19.462 9.818 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.568 19.511 9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.289 17.456 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.735 16.786 9.939 1.00 0.00 H new ATOM 0 HE ARG A 74 6.403 18.792 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.362 15.441 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.059 14.906 13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.292 18.095 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.147 16.402 14.376 1.00 0.00 H new ATOM 1524 N GLY A 75 6.571 21.738 7.837 1.00 0.00 N ATOM 1525 CA GLY A 75 7.673 22.638 8.124 1.00 0.00 C ATOM 1526 C GLY A 75 7.975 23.573 6.969 1.00 0.00 C ATOM 1527 O GLY A 75 7.332 24.612 6.819 1.00 0.00 O ATOM 0 H GLY A 75 5.644 22.126 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.436 23.226 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.563 22.054 8.357 1.00 0.00 H new ATOM 1531 N GLY A 76 8.955 23.203 6.152 1.00 0.00 N ATOM 1532 CA GLY A 76 9.323 24.026 5.016 1.00 0.00 C ATOM 1533 C GLY A 76 10.702 23.694 4.480 1.00 0.00 C ATOM 1534 O GLY A 76 11.670 24.381 4.866 1.00 0.00 O ATOM 1535 OXT GLY A 76 10.813 22.745 3.675 1.00 0.00 O ATOM 0 H GLY A 76 9.501 22.348 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.587 23.894 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.293 25.076 5.307 1.00 0.00 H new TER 1539 GLY A 76