USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 396 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 Single : A 5 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.87) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.17) USER MOD Single : A 17 ASN : amide:sc= -0.597 K(o=-0.6,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 96:sc= 1.15 USER MOD Single : A 33 HIS : no HD1:sc= -0.68 K(o=-0.68,f=0.18) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= -0.0132 (180deg=-0.128) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N GLU A 4 14.580 38.097 -25.466 1.00 0.00 N ATOM 38 CA GLU A 4 15.243 37.572 -24.290 1.00 0.00 C ATOM 39 C GLU A 4 16.116 36.372 -24.722 1.00 0.00 C ATOM 40 O GLU A 4 16.071 35.975 -25.889 1.00 0.00 O ATOM 41 CB GLU A 4 14.199 37.163 -23.221 1.00 0.00 C ATOM 42 CG GLU A 4 14.784 36.721 -21.880 1.00 0.00 C ATOM 43 CD GLU A 4 15.842 37.672 -21.357 1.00 0.00 C ATOM 44 OE1 GLU A 4 15.483 38.726 -20.789 1.00 0.00 O ATOM 45 OE2 GLU A 4 17.039 37.366 -21.511 1.00 0.00 O1- ATOM 0 HA GLU A 4 15.880 38.333 -23.839 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.530 38.006 -23.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.592 36.351 -23.620 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.981 36.640 -21.148 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.218 35.727 -21.988 1.00 0.00 H new ATOM 52 N LYS A 5 16.901 35.804 -23.804 1.00 0.00 N ATOM 53 CA LYS A 5 17.782 34.692 -24.138 1.00 0.00 C ATOM 54 C LYS A 5 17.055 33.353 -24.005 1.00 0.00 C ATOM 55 O LYS A 5 17.511 32.328 -24.521 1.00 0.00 O ATOM 56 CB LYS A 5 19.022 34.722 -23.243 1.00 0.00 C ATOM 57 CG LYS A 5 19.805 36.026 -23.341 1.00 0.00 C ATOM 58 CD LYS A 5 20.952 36.081 -22.343 1.00 0.00 C ATOM 59 CE LYS A 5 20.450 36.121 -20.905 1.00 0.00 C ATOM 60 NZ LYS A 5 19.585 37.304 -20.639 1.00 0.00 N1+ ATOM 0 H LYS A 5 16.942 36.097 -22.828 1.00 0.00 H new ATOM 0 HA LYS A 5 18.092 34.799 -25.177 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.718 34.566 -22.208 1.00 0.00 H new ATOM 0 HB3 LYS A 5 19.676 33.893 -23.512 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.199 36.137 -24.351 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.133 36.866 -23.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.594 35.211 -22.480 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.563 36.962 -22.539 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.890 35.210 -20.693 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.302 36.137 -20.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.559 37.492 -19.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.970 38.134 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.621 37.113 -20.980 1.00 0.00 H new ATOM 74 N LEU A 6 15.927 33.368 -23.320 1.00 0.00 N ATOM 75 CA LEU A 6 15.129 32.171 -23.130 1.00 0.00 C ATOM 76 C LEU A 6 13.665 32.550 -22.846 1.00 0.00 C ATOM 77 O LEU A 6 13.355 33.734 -22.708 1.00 0.00 O ATOM 78 CB LEU A 6 15.720 31.290 -21.987 1.00 0.00 C ATOM 79 CG LEU A 6 16.115 32.004 -20.672 1.00 0.00 C ATOM 80 CD1 LEU A 6 14.909 32.614 -19.969 1.00 0.00 C ATOM 81 CD2 LEU A 6 16.819 31.030 -19.744 1.00 0.00 C ATOM 0 H LEU A 6 15.540 34.204 -22.882 1.00 0.00 H new ATOM 0 HA LEU A 6 15.155 31.581 -24.046 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.990 30.517 -21.745 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.604 30.783 -22.374 1.00 0.00 H new ATOM 0 HG LEU A 6 16.791 32.819 -20.931 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.233 33.105 -19.051 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.437 33.346 -20.625 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.193 31.829 -19.727 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.094 31.541 -18.821 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.152 30.199 -19.514 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.718 30.650 -20.230 1.00 0.00 H new ATOM 93 N THR A 7 12.768 31.562 -22.765 1.00 0.00 N ATOM 94 CA THR A 7 11.385 31.832 -22.447 1.00 0.00 C ATOM 95 C THR A 7 11.089 31.438 -21.011 1.00 0.00 C ATOM 96 O THR A 7 10.133 31.924 -20.408 1.00 0.00 O ATOM 97 CB THR A 7 10.445 31.056 -23.384 1.00 0.00 C ATOM 98 OG1 THR A 7 10.826 29.669 -23.407 1.00 0.00 O ATOM 99 CG2 THR A 7 10.499 31.624 -24.792 1.00 0.00 C ATOM 0 H THR A 7 12.985 30.577 -22.916 1.00 0.00 H new ATOM 0 HA THR A 7 11.215 32.901 -22.578 1.00 0.00 H new ATOM 0 HB THR A 7 9.425 31.152 -23.011 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.225 29.175 -24.003 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.826 31.060 -25.438 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.193 32.670 -24.774 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.517 31.550 -25.175 1.00 0.00 H new ATOM 107 N ALA A 8 11.932 30.531 -20.475 1.00 0.00 N ATOM 108 CA ALA A 8 11.789 29.995 -19.100 1.00 0.00 C ATOM 109 C ALA A 8 10.550 29.114 -18.989 1.00 0.00 C ATOM 110 O ALA A 8 10.220 28.615 -17.915 1.00 0.00 O ATOM 111 CB ALA A 8 11.749 31.121 -18.065 1.00 0.00 C ATOM 0 H ALA A 8 12.731 30.148 -20.980 1.00 0.00 H new ATOM 0 HA ALA A 8 12.665 29.382 -18.890 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.644 30.695 -17.067 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.673 31.697 -18.118 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.902 31.775 -18.271 1.00 0.00 H new ATOM 117 N ASP A 9 9.891 28.903 -20.115 1.00 0.00 N ATOM 118 CA ASP A 9 8.672 28.111 -20.164 1.00 0.00 C ATOM 119 C ASP A 9 8.920 26.789 -20.880 1.00 0.00 C ATOM 120 O ASP A 9 8.210 25.808 -20.661 1.00 0.00 O ATOM 121 CB ASP A 9 7.554 28.899 -20.870 1.00 0.00 C ATOM 122 CG ASP A 9 6.224 28.168 -20.889 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.413 28.360 -19.947 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.963 27.418 -21.855 1.00 0.00 O1- ATOM 0 H ASP A 9 10.184 29.274 -21.019 1.00 0.00 H new ATOM 0 HA ASP A 9 8.359 27.895 -19.143 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.426 29.860 -20.371 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.859 29.110 -21.895 1.00 0.00 H new ATOM 129 N ALA A 10 9.960 26.754 -21.713 1.00 0.00 N ATOM 130 CA ALA A 10 10.285 25.545 -22.483 1.00 0.00 C ATOM 131 C ALA A 10 10.645 24.380 -21.564 1.00 0.00 C ATOM 132 O ALA A 10 10.430 23.216 -21.905 1.00 0.00 O ATOM 133 CB ALA A 10 11.404 25.808 -23.501 1.00 0.00 C ATOM 0 H ALA A 10 10.590 27.540 -21.874 1.00 0.00 H new ATOM 0 HA ALA A 10 9.390 25.267 -23.040 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.618 24.892 -24.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.087 26.585 -24.197 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.303 26.134 -22.978 1.00 0.00 H new ATOM 139 N GLU A 11 11.173 24.694 -20.390 1.00 0.00 N ATOM 140 CA GLU A 11 11.529 23.668 -19.422 1.00 0.00 C ATOM 141 C GLU A 11 10.280 23.179 -18.690 1.00 0.00 C ATOM 142 O GLU A 11 10.233 22.057 -18.189 1.00 0.00 O ATOM 143 CB GLU A 11 12.563 24.203 -18.427 1.00 0.00 C ATOM 144 CG GLU A 11 13.863 24.643 -19.082 1.00 0.00 C ATOM 145 CD GLU A 11 14.857 25.207 -18.092 1.00 0.00 C ATOM 146 OE1 GLU A 11 15.511 24.417 -17.382 1.00 0.00 O ATOM 147 OE2 GLU A 11 14.996 26.441 -18.018 1.00 0.00 O1- ATOM 0 H GLU A 11 11.364 25.649 -20.086 1.00 0.00 H new ATOM 0 HA GLU A 11 11.973 22.826 -19.953 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.133 25.047 -17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.780 23.430 -17.690 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.312 23.793 -19.596 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.646 25.395 -19.840 1.00 0.00 H new ATOM 154 N LEU A 12 9.263 24.022 -18.663 1.00 0.00 N ATOM 155 CA LEU A 12 8.005 23.702 -18.000 1.00 0.00 C ATOM 156 C LEU A 12 7.092 22.926 -18.941 1.00 0.00 C ATOM 157 O LEU A 12 6.156 22.255 -18.504 1.00 0.00 O ATOM 158 CB LEU A 12 7.304 24.983 -17.536 1.00 0.00 C ATOM 159 CG LEU A 12 8.114 25.884 -16.600 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.346 27.158 -16.293 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.461 25.148 -15.314 1.00 0.00 C ATOM 0 H LEU A 12 9.282 24.945 -19.097 1.00 0.00 H new ATOM 0 HA LEU A 12 8.224 23.084 -17.129 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.026 25.562 -18.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.378 24.706 -17.032 1.00 0.00 H new ATOM 0 HG LEU A 12 9.043 26.153 -17.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.936 27.787 -15.626 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.149 27.696 -17.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.401 26.906 -15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.037 25.805 -14.662 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.544 24.848 -14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.052 24.263 -15.549 1.00 0.00 H new ATOM 173 N GLN A 13 7.381 23.028 -20.237 1.00 0.00 N ATOM 174 CA GLN A 13 6.581 22.368 -21.283 1.00 0.00 C ATOM 175 C GLN A 13 6.458 20.858 -21.046 1.00 0.00 C ATOM 176 O GLN A 13 5.468 20.248 -21.429 1.00 0.00 O ATOM 177 CB GLN A 13 7.168 22.642 -22.685 1.00 0.00 C ATOM 178 CG GLN A 13 6.336 22.072 -23.829 1.00 0.00 C ATOM 179 CD GLN A 13 4.914 22.609 -23.842 1.00 0.00 C ATOM 180 OE1 GLN A 13 4.658 23.735 -23.423 1.00 0.00 O ATOM 181 NE2 GLN A 13 3.985 21.807 -24.323 1.00 0.00 N ATOM 0 H GLN A 13 8.170 23.565 -20.596 1.00 0.00 H new ATOM 0 HA GLN A 13 5.579 22.795 -21.232 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.266 23.719 -22.822 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.172 22.222 -22.735 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.818 22.309 -24.777 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.309 20.985 -23.748 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.238 20.879 -24.662 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.013 22.115 -24.357 1.00 0.00 H new ATOM 190 N ARG A 14 7.458 20.267 -20.400 1.00 0.00 N ATOM 191 CA ARG A 14 7.434 18.824 -20.113 1.00 0.00 C ATOM 192 C ARG A 14 6.242 18.476 -19.221 1.00 0.00 C ATOM 193 O ARG A 14 5.552 17.479 -19.442 1.00 0.00 O ATOM 194 CB ARG A 14 8.739 18.367 -19.444 1.00 0.00 C ATOM 195 CG ARG A 14 8.822 16.862 -19.227 1.00 0.00 C ATOM 196 CD ARG A 14 10.126 16.468 -18.552 1.00 0.00 C ATOM 197 NE ARG A 14 11.295 16.962 -19.288 1.00 0.00 N ATOM 198 CZ ARG A 14 12.375 16.234 -19.575 1.00 0.00 C ATOM 199 NH1 ARG A 14 12.461 14.973 -19.163 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 13.371 16.771 -20.269 1.00 0.00 N ATOM 0 H ARG A 14 8.290 20.753 -20.065 1.00 0.00 H new ATOM 0 HA ARG A 14 7.335 18.299 -21.063 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.582 18.683 -20.058 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.839 18.870 -18.482 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.981 16.534 -18.616 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.738 16.350 -20.185 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.143 16.864 -17.536 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.180 15.382 -18.472 1.00 0.00 H new ATOM 0 HE ARG A 14 11.281 17.932 -19.603 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.699 14.559 -18.625 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.289 14.419 -19.384 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.310 17.740 -20.582 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.197 16.215 -20.489 1.00 0.00 H new ATOM 214 N LEU A 15 5.989 19.327 -18.234 1.00 0.00 N ATOM 215 CA LEU A 15 4.882 19.118 -17.298 1.00 0.00 C ATOM 216 C LEU A 15 3.545 19.251 -18.028 1.00 0.00 C ATOM 217 O LEU A 15 2.546 18.628 -17.649 1.00 0.00 O ATOM 218 CB LEU A 15 4.951 20.130 -16.125 1.00 0.00 C ATOM 219 CG LEU A 15 3.942 19.911 -14.994 1.00 0.00 C ATOM 220 CD1 LEU A 15 4.322 18.693 -14.170 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.849 21.148 -14.114 1.00 0.00 C ATOM 0 H LEU A 15 6.534 20.171 -18.058 1.00 0.00 H new ATOM 0 HA LEU A 15 4.966 18.112 -16.887 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.955 20.098 -15.702 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.806 21.133 -16.527 1.00 0.00 H new ATOM 0 HG LEU A 15 2.962 19.733 -15.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.594 18.553 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.334 17.810 -14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.312 18.841 -13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.127 20.973 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.826 21.360 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.527 21.999 -14.715 1.00 0.00 H new ATOM 233 N LYS A 16 3.547 20.041 -19.099 1.00 0.00 N ATOM 234 CA LYS A 16 2.349 20.286 -19.883 1.00 0.00 C ATOM 235 C LYS A 16 2.136 19.161 -20.890 1.00 0.00 C ATOM 236 O LYS A 16 1.064 18.572 -20.958 1.00 0.00 O ATOM 237 CB LYS A 16 2.466 21.617 -20.636 1.00 0.00 C ATOM 238 CG LYS A 16 2.891 22.797 -19.775 1.00 0.00 C ATOM 239 CD LYS A 16 2.969 24.073 -20.601 1.00 0.00 C ATOM 240 CE LYS A 16 3.580 25.220 -19.812 1.00 0.00 C ATOM 241 NZ LYS A 16 3.609 26.480 -20.600 1.00 0.00 N1+ ATOM 0 H LYS A 16 4.377 20.525 -19.443 1.00 0.00 H new ATOM 0 HA LYS A 16 1.500 20.329 -19.201 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.185 21.499 -21.447 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.504 21.846 -21.094 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.181 22.931 -18.959 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.862 22.592 -19.323 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.563 23.891 -21.496 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.969 24.352 -20.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.008 25.377 -18.897 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.594 24.955 -19.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.001 27.246 -20.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.203 26.348 -21.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.643 26.729 -20.893 1.00 0.00 H new ATOM 255 N ASN A 17 3.185 18.857 -21.651 1.00 0.00 N ATOM 256 CA ASN A 17 3.119 17.834 -22.707 1.00 0.00 C ATOM 257 C ASN A 17 2.749 16.458 -22.148 1.00 0.00 C ATOM 258 O ASN A 17 2.019 15.701 -22.783 1.00 0.00 O ATOM 259 CB ASN A 17 4.444 17.759 -23.506 1.00 0.00 C ATOM 260 CG ASN A 17 4.396 16.748 -24.647 1.00 0.00 C ATOM 261 OD1 ASN A 17 5.393 16.092 -24.945 1.00 0.00 O ATOM 262 ND2 ASN A 17 3.253 16.633 -25.305 1.00 0.00 N ATOM 0 H ASN A 17 4.097 19.304 -21.560 1.00 0.00 H new ATOM 0 HA ASN A 17 2.326 18.138 -23.390 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.674 18.745 -23.911 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.256 17.495 -22.828 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.178 15.984 -26.088 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.447 17.194 -25.029 1.00 0.00 H new ATOM 269 N GLU A 18 3.232 16.138 -20.953 1.00 0.00 N ATOM 270 CA GLU A 18 2.916 14.848 -20.351 1.00 0.00 C ATOM 271 C GLU A 18 1.607 14.912 -19.589 1.00 0.00 C ATOM 272 O GLU A 18 1.104 13.889 -19.120 1.00 0.00 O ATOM 273 CB GLU A 18 4.030 14.370 -19.426 1.00 0.00 C ATOM 274 CG GLU A 18 5.328 14.038 -20.136 1.00 0.00 C ATOM 275 CD GLU A 18 6.240 13.213 -19.269 1.00 0.00 C ATOM 276 OE1 GLU A 18 5.833 12.095 -18.880 1.00 0.00 O ATOM 277 OE2 GLU A 18 7.358 13.664 -18.958 1.00 0.00 O1- ATOM 0 H GLU A 18 3.833 16.741 -20.391 1.00 0.00 H new ATOM 0 HA GLU A 18 2.818 14.130 -21.166 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.224 15.141 -18.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.687 13.486 -18.889 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.111 13.495 -21.056 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.833 14.961 -20.421 1.00 0.00 H new ATOM 284 N ARG A 19 1.065 16.124 -19.463 1.00 0.00 N ATOM 285 CA ARG A 19 -0.192 16.363 -18.753 1.00 0.00 C ATOM 286 C ARG A 19 -0.120 15.833 -17.323 1.00 0.00 C ATOM 287 O ARG A 19 -1.132 15.442 -16.742 1.00 0.00 O ATOM 288 CB ARG A 19 -1.366 15.724 -19.504 1.00 0.00 C ATOM 289 CG ARG A 19 -1.502 16.190 -20.946 1.00 0.00 C ATOM 290 CD ARG A 19 -2.755 15.630 -21.592 1.00 0.00 C ATOM 291 NE ARG A 19 -3.971 16.148 -20.960 1.00 0.00 N ATOM 292 CZ ARG A 19 -5.086 15.437 -20.769 1.00 0.00 C ATOM 293 NH1 ARG A 19 -5.147 14.168 -21.155 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 -6.135 15.999 -20.188 1.00 0.00 N ATOM 0 H ARG A 19 1.486 16.968 -19.851 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.355 17.440 -18.708 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.246 14.641 -19.492 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.290 15.948 -18.971 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.530 17.279 -20.977 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.626 15.878 -21.515 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.761 15.882 -22.652 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.745 14.542 -21.523 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.966 17.118 -20.644 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.340 13.731 -21.600 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.001 13.630 -21.007 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.091 16.973 -19.887 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.987 15.458 -20.041 1.00 0.00 H new ATOM 308 N HIS A 20 1.082 15.862 -16.749 1.00 0.00 N ATOM 309 CA HIS A 20 1.301 15.344 -15.385 1.00 0.00 C ATOM 310 C HIS A 20 0.447 16.103 -14.379 1.00 0.00 C ATOM 311 O HIS A 20 -0.104 15.512 -13.453 1.00 0.00 O ATOM 312 CB HIS A 20 2.791 15.423 -14.991 1.00 0.00 C ATOM 313 CG HIS A 20 3.082 14.915 -13.606 1.00 0.00 C ATOM 314 ND1 HIS A 20 3.095 15.734 -12.494 1.00 0.00 N ATOM 315 CD2 HIS A 20 3.365 13.670 -13.153 1.00 0.00 C ATOM 316 CE1 HIS A 20 3.375 15.014 -11.424 1.00 0.00 C ATOM 317 NE2 HIS A 20 3.543 13.764 -11.794 1.00 0.00 N ATOM 0 H HIS A 20 1.919 16.235 -17.198 1.00 0.00 H new ATOM 0 HA HIS A 20 1.003 14.296 -15.375 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.378 14.849 -15.709 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.122 16.459 -15.065 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.437 12.772 -13.749 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.453 15.389 -10.414 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.769 12.988 -11.172 1.00 0.00 H new ATOM 325 N GLU A 21 0.325 17.409 -14.575 1.00 0.00 N ATOM 326 CA GLU A 21 -0.491 18.226 -13.683 1.00 0.00 C ATOM 327 C GLU A 21 -1.958 17.826 -13.795 1.00 0.00 C ATOM 328 O GLU A 21 -2.664 17.719 -12.789 1.00 0.00 O ATOM 329 CB GLU A 21 -0.321 19.726 -13.977 1.00 0.00 C ATOM 330 CG GLU A 21 -1.148 20.619 -13.065 1.00 0.00 C ATOM 331 CD GLU A 21 -0.914 22.088 -13.315 1.00 0.00 C ATOM 332 OE1 GLU A 21 -1.422 22.611 -14.328 1.00 0.00 O ATOM 333 OE2 GLU A 21 -0.225 22.732 -12.494 1.00 0.00 O1- ATOM 0 H GLU A 21 0.774 17.922 -15.334 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.151 18.048 -12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.731 19.991 -13.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.600 19.919 -15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.205 20.395 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.910 20.390 -12.026 1.00 0.00 H new ATOM 340 N GLU A 22 -2.404 17.572 -15.016 1.00 0.00 N ATOM 341 CA GLU A 22 -3.781 17.177 -15.250 1.00 0.00 C ATOM 342 C GLU A 22 -4.075 15.816 -14.634 1.00 0.00 C ATOM 343 O GLU A 22 -5.156 15.596 -14.106 1.00 0.00 O ATOM 344 CB GLU A 22 -4.119 17.176 -16.746 1.00 0.00 C ATOM 345 CG GLU A 22 -4.057 18.542 -17.391 1.00 0.00 C ATOM 346 CD GLU A 22 -4.562 18.522 -18.809 1.00 0.00 C ATOM 347 OE1 GLU A 22 -5.782 18.356 -19.006 1.00 0.00 O ATOM 348 OE2 GLU A 22 -3.749 18.674 -19.741 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.832 17.633 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.417 17.917 -14.763 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.429 16.509 -17.263 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.120 16.766 -16.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.649 19.246 -16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.028 18.902 -17.378 1.00 0.00 H new ATOM 355 N ALA A 23 -3.094 14.915 -14.670 1.00 0.00 N ATOM 356 CA ALA A 23 -3.278 13.576 -14.114 1.00 0.00 C ATOM 357 C ALA A 23 -3.304 13.627 -12.595 1.00 0.00 C ATOM 358 O ALA A 23 -3.875 12.757 -11.942 1.00 0.00 O ATOM 359 CB ALA A 23 -2.191 12.617 -14.602 1.00 0.00 C ATOM 0 H ALA A 23 -2.173 15.085 -15.074 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.238 13.198 -14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.356 11.630 -14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.228 12.549 -15.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.213 12.988 -14.294 1.00 0.00 H new ATOM 365 N GLU A 24 -2.699 14.662 -12.043 1.00 0.00 N ATOM 366 CA GLU A 24 -2.659 14.840 -10.602 1.00 0.00 C ATOM 367 C GLU A 24 -4.000 15.370 -10.108 1.00 0.00 C ATOM 368 O GLU A 24 -4.664 14.744 -9.276 1.00 0.00 O ATOM 369 CB GLU A 24 -1.522 15.805 -10.203 1.00 0.00 C ATOM 370 CG GLU A 24 -1.351 15.984 -8.702 1.00 0.00 C ATOM 371 CD GLU A 24 -1.016 14.691 -7.998 1.00 0.00 C ATOM 372 OE1 GLU A 24 -1.831 14.225 -7.185 1.00 0.00 O ATOM 373 OE2 GLU A 24 0.065 14.128 -8.264 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.227 15.395 -12.572 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.465 13.874 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.585 15.438 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.713 16.779 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.561 16.711 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.269 16.395 -8.282 1.00 0.00 H new ATOM 380 N LEU A 25 -4.409 16.508 -10.659 1.00 0.00 N ATOM 381 CA LEU A 25 -5.655 17.159 -10.252 1.00 0.00 C ATOM 382 C LEU A 25 -6.891 16.341 -10.623 1.00 0.00 C ATOM 383 O LEU A 25 -7.885 16.377 -9.912 1.00 0.00 O ATOM 384 CB LEU A 25 -5.773 18.596 -10.818 1.00 0.00 C ATOM 385 CG LEU A 25 -4.941 19.686 -10.110 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.448 19.434 -10.252 1.00 0.00 C ATOM 387 CD2 LEU A 25 -5.303 21.061 -10.647 1.00 0.00 C ATOM 0 H LEU A 25 -3.897 17.001 -11.390 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.614 17.223 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.483 18.574 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.822 18.891 -10.783 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.181 19.648 -9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.896 20.222 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.198 18.470 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.179 19.429 -11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.708 21.819 -10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.100 21.099 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.362 21.253 -10.472 1.00 0.00 H new ATOM 399 N GLU A 26 -6.824 15.594 -11.724 1.00 0.00 N ATOM 400 CA GLU A 26 -7.975 14.786 -12.165 1.00 0.00 C ATOM 401 C GLU A 26 -8.348 13.751 -11.112 1.00 0.00 C ATOM 402 O GLU A 26 -9.519 13.586 -10.772 1.00 0.00 O ATOM 403 CB GLU A 26 -7.697 14.081 -13.496 1.00 0.00 C ATOM 404 CG GLU A 26 -8.882 13.292 -14.019 1.00 0.00 C ATOM 405 CD GLU A 26 -8.539 12.472 -15.234 1.00 0.00 C ATOM 406 OE1 GLU A 26 -8.266 11.261 -15.080 1.00 0.00 O ATOM 407 OE2 GLU A 26 -8.545 13.031 -16.353 1.00 0.00 O1- ATOM 0 H GLU A 26 -6.001 15.527 -12.323 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.809 15.474 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.409 14.824 -14.239 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.848 13.408 -13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.251 12.633 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.691 13.979 -14.265 1.00 0.00 H new ATOM 414 N ARG A 27 -7.343 13.074 -10.583 1.00 0.00 N ATOM 415 CA ARG A 27 -7.564 12.046 -9.574 1.00 0.00 C ATOM 416 C ARG A 27 -8.007 12.666 -8.254 1.00 0.00 C ATOM 417 O ARG A 27 -8.589 12.001 -7.412 1.00 0.00 O ATOM 418 CB ARG A 27 -6.308 11.200 -9.388 1.00 0.00 C ATOM 419 CG ARG A 27 -5.877 10.487 -10.657 1.00 0.00 C ATOM 420 CD ARG A 27 -4.551 9.778 -10.480 1.00 0.00 C ATOM 421 NE ARG A 27 -4.078 9.193 -11.736 1.00 0.00 N ATOM 422 CZ ARG A 27 -2.856 9.382 -12.244 1.00 0.00 C ATOM 423 NH1 ARG A 27 -1.962 10.119 -11.583 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -2.526 8.831 -13.407 1.00 0.00 N ATOM 0 H ARG A 27 -6.365 13.216 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.365 11.393 -9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.495 11.839 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.487 10.462 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.640 9.764 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.798 11.208 -11.470 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.809 10.483 -10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.655 8.994 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.724 8.602 -12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.210 10.540 -10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.030 10.262 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.205 8.263 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.593 8.976 -13.794 1.00 0.00 H new ATOM 438 N LEU A 28 -7.735 13.947 -8.087 1.00 0.00 N ATOM 439 CA LEU A 28 -8.169 14.657 -6.896 1.00 0.00 C ATOM 440 C LEU A 28 -9.619 15.100 -7.059 1.00 0.00 C ATOM 441 O LEU A 28 -10.336 15.305 -6.078 1.00 0.00 O ATOM 442 CB LEU A 28 -7.262 15.865 -6.618 1.00 0.00 C ATOM 443 CG LEU A 28 -5.788 15.540 -6.361 1.00 0.00 C ATOM 444 CD1 LEU A 28 -4.975 16.813 -6.222 1.00 0.00 C ATOM 445 CD2 LEU A 28 -5.640 14.677 -5.115 1.00 0.00 C ATOM 0 H LEU A 28 -7.218 14.516 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.098 13.983 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.323 16.545 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.654 16.400 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.408 14.981 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.931 16.560 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.052 17.396 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.357 17.399 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.586 14.456 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.040 15.211 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.189 13.745 -5.251 1.00 0.00 H new ATOM 457 N LYS A 29 -10.048 15.226 -8.311 1.00 0.00 N ATOM 458 CA LYS A 29 -11.411 15.624 -8.618 1.00 0.00 C ATOM 459 C LYS A 29 -12.340 14.414 -8.625 1.00 0.00 C ATOM 460 O LYS A 29 -13.530 14.541 -8.355 1.00 0.00 O ATOM 461 CB LYS A 29 -11.484 16.365 -9.967 1.00 0.00 C ATOM 462 CG LYS A 29 -10.705 17.670 -9.997 1.00 0.00 C ATOM 463 CD LYS A 29 -10.731 18.302 -11.380 1.00 0.00 C ATOM 464 CE LYS A 29 -9.939 19.602 -11.414 1.00 0.00 C ATOM 465 NZ LYS A 29 -9.941 20.222 -12.766 1.00 0.00 N1+ ATOM 0 H LYS A 29 -9.465 15.056 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.740 16.309 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.105 15.709 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.528 16.571 -10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.127 18.364 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.673 17.486 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.318 17.604 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.763 18.495 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.361 20.302 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.912 19.408 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.391 21.104 -12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.515 19.565 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.919 20.431 -13.051 1.00 0.00 H new ATOM 479 N SER A 30 -11.791 13.238 -8.918 1.00 0.00 N ATOM 480 CA SER A 30 -12.588 12.023 -8.931 1.00 0.00 C ATOM 481 C SER A 30 -12.973 11.632 -7.510 1.00 0.00 C ATOM 482 O SER A 30 -14.124 11.286 -7.235 1.00 0.00 O ATOM 483 CB SER A 30 -11.827 10.882 -9.620 1.00 0.00 C ATOM 484 OG SER A 30 -10.558 10.679 -9.024 1.00 0.00 O ATOM 0 H SER A 30 -10.806 13.105 -9.147 1.00 0.00 H new ATOM 0 HA SER A 30 -13.499 12.212 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.411 9.964 -9.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.702 11.112 -10.678 1.00 0.00 H new ATOM 0 HG SER A 30 -10.621 9.965 -8.356 1.00 0.00 H new ATOM 490 N GLU A 31 -12.012 11.735 -6.597 1.00 0.00 N ATOM 491 CA GLU A 31 -12.244 11.391 -5.201 1.00 0.00 C ATOM 492 C GLU A 31 -13.086 12.470 -4.523 1.00 0.00 C ATOM 493 O GLU A 31 -13.542 12.303 -3.392 1.00 0.00 O ATOM 494 CB GLU A 31 -10.915 11.214 -4.459 1.00 0.00 C ATOM 495 CG GLU A 31 -9.894 10.361 -5.202 1.00 0.00 C ATOM 496 CD GLU A 31 -10.459 9.048 -5.698 1.00 0.00 C ATOM 497 OE1 GLU A 31 -10.528 8.085 -4.904 1.00 0.00 O ATOM 498 OE2 GLU A 31 -10.828 8.971 -6.891 1.00 0.00 O1- ATOM 0 H GLU A 31 -11.065 12.054 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.787 10.446 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.483 12.197 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.112 10.761 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.507 10.926 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.050 10.159 -4.542 1.00 0.00 H new ATOM 505 N ARG A 32 -13.296 13.572 -5.237 1.00 0.00 N ATOM 506 CA ARG A 32 -14.088 14.683 -4.736 1.00 0.00 C ATOM 507 C ARG A 32 -15.582 14.347 -4.828 1.00 0.00 C ATOM 508 O ARG A 32 -16.433 15.087 -4.344 1.00 0.00 O ATOM 509 CB ARG A 32 -13.770 15.949 -5.537 1.00 0.00 C ATOM 510 CG ARG A 32 -14.257 17.238 -4.900 1.00 0.00 C ATOM 511 CD ARG A 32 -13.909 18.433 -5.767 1.00 0.00 C ATOM 512 NE ARG A 32 -14.225 19.701 -5.114 1.00 0.00 N ATOM 513 CZ ARG A 32 -14.273 20.877 -5.736 1.00 0.00 C ATOM 514 NH1 ARG A 32 -14.092 20.950 -7.050 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -14.521 21.977 -5.045 1.00 0.00 N ATOM 0 H ARG A 32 -12.922 13.717 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.838 14.860 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.691 16.013 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.215 15.858 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.336 17.191 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.806 17.355 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.847 18.406 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.453 18.366 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.422 19.684 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.915 20.102 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.130 21.854 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.675 21.923 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.558 22.879 -5.519 1.00 0.00 H new ATOM 529 N HIS A 33 -15.883 13.206 -5.443 1.00 0.00 N ATOM 530 CA HIS A 33 -17.259 12.729 -5.577 1.00 0.00 C ATOM 531 C HIS A 33 -17.640 11.893 -4.358 1.00 0.00 C ATOM 532 O HIS A 33 -18.553 11.064 -4.412 1.00 0.00 O ATOM 533 CB HIS A 33 -17.420 11.882 -6.851 1.00 0.00 C ATOM 534 CG HIS A 33 -17.308 12.655 -8.133 1.00 0.00 C ATOM 535 ND1 HIS A 33 -18.374 12.864 -8.978 1.00 0.00 N ATOM 536 CD2 HIS A 33 -16.245 13.249 -8.723 1.00 0.00 C ATOM 537 CE1 HIS A 33 -17.970 13.553 -10.032 1.00 0.00 C ATOM 538 NE2 HIS A 33 -16.687 13.797 -9.900 1.00 0.00 N ATOM 0 H HIS A 33 -15.186 12.589 -5.860 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.917 13.595 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -16.664 11.097 -6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -18.391 11.388 -6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -15.236 13.285 -8.339 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -18.590 13.862 -10.860 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -16.111 14.312 -10.566 1.00 0.00 H new ATOM 546 N ASP A 34 -16.937 12.120 -3.259 1.00 0.00 N ATOM 547 CA ASP A 34 -17.171 11.382 -2.031 1.00 0.00 C ATOM 548 C ASP A 34 -18.486 11.826 -1.384 1.00 0.00 C ATOM 549 O ASP A 34 -19.099 12.818 -1.805 1.00 0.00 O ATOM 550 CB ASP A 34 -15.995 11.582 -1.056 1.00 0.00 C ATOM 551 CG ASP A 34 -15.767 10.384 -0.138 1.00 0.00 C ATOM 552 OD1 ASP A 34 -14.609 9.947 -0.007 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.743 9.863 0.438 1.00 0.00 O1- ATOM 0 H ASP A 34 -16.194 12.816 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.246 10.321 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.086 11.773 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.181 12.467 -0.448 1.00 0.00 H new ATOM 558 N HIS A 35 -18.899 11.109 -0.354 1.00 0.00 N ATOM 559 CA HIS A 35 -20.152 11.374 0.341 1.00 0.00 C ATOM 560 C HIS A 35 -20.133 12.763 0.990 1.00 0.00 C ATOM 561 O HIS A 35 -21.185 13.335 1.278 1.00 0.00 O ATOM 562 CB HIS A 35 -20.396 10.287 1.395 1.00 0.00 C ATOM 563 CG HIS A 35 -21.823 10.156 1.830 1.00 0.00 C ATOM 564 ND1 HIS A 35 -22.221 10.225 3.147 1.00 0.00 N ATOM 565 CD2 HIS A 35 -22.949 9.924 1.113 1.00 0.00 C ATOM 566 CE1 HIS A 35 -23.528 10.039 3.219 1.00 0.00 C ATOM 567 NE2 HIS A 35 -23.990 9.856 2.001 1.00 0.00 N ATOM 0 H HIS A 35 -18.374 10.322 0.028 1.00 0.00 H new ATOM 0 HA HIS A 35 -20.967 11.357 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -20.061 9.330 0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -19.781 10.501 2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -23.014 9.813 0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -24.117 10.038 4.124 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -24.966 9.690 1.757 1.00 0.00 H new ATOM 575 N ASP A 36 -18.923 13.297 1.197 1.00 0.00 N ATOM 576 CA ASP A 36 -18.731 14.632 1.781 1.00 0.00 C ATOM 577 C ASP A 36 -19.518 15.686 1.022 1.00 0.00 C ATOM 578 O ASP A 36 -20.182 16.533 1.620 1.00 0.00 O ATOM 579 CB ASP A 36 -17.247 15.026 1.775 1.00 0.00 C ATOM 580 CG ASP A 36 -16.405 14.195 2.708 1.00 0.00 C ATOM 581 OD1 ASP A 36 -16.327 14.533 3.904 1.00 0.00 O ATOM 582 OD2 ASP A 36 -15.806 13.198 2.251 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.052 12.819 0.966 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.093 14.584 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.857 14.930 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.156 16.076 2.053 1.00 0.00 H new ATOM 587 N LYS A 37 -19.433 15.642 -0.296 1.00 0.00 N ATOM 588 CA LYS A 37 -20.134 16.604 -1.126 1.00 0.00 C ATOM 589 C LYS A 37 -21.628 16.325 -1.119 1.00 0.00 C ATOM 590 O LYS A 37 -22.438 17.239 -0.981 1.00 0.00 O ATOM 591 CB LYS A 37 -19.606 16.571 -2.561 1.00 0.00 C ATOM 592 CG LYS A 37 -20.291 17.571 -3.478 1.00 0.00 C ATOM 593 CD LYS A 37 -19.792 17.462 -4.904 1.00 0.00 C ATOM 594 CE LYS A 37 -20.513 18.444 -5.809 1.00 0.00 C ATOM 595 NZ LYS A 37 -20.038 18.365 -7.209 1.00 0.00 N1+ ATOM 0 H LYS A 37 -18.887 14.952 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.957 17.597 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.535 16.772 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.738 15.568 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -21.368 17.405 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -20.117 18.581 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.720 17.655 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.944 16.446 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.584 18.245 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.366 19.457 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.557 19.053 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.021 18.580 -7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.201 17.406 -7.577 1.00 0.00 H new ATOM 609 N LYS A 38 -21.977 15.054 -1.236 1.00 0.00 N ATOM 610 CA LYS A 38 -23.373 14.630 -1.287 1.00 0.00 C ATOM 611 C LYS A 38 -24.141 15.070 -0.043 1.00 0.00 C ATOM 612 O LYS A 38 -25.285 15.530 -0.141 1.00 0.00 O ATOM 613 CB LYS A 38 -23.460 13.118 -1.462 1.00 0.00 C ATOM 614 CG LYS A 38 -22.752 12.615 -2.707 1.00 0.00 C ATOM 615 CD LYS A 38 -22.927 11.122 -2.881 1.00 0.00 C ATOM 616 CE LYS A 38 -22.209 10.627 -4.122 1.00 0.00 C ATOM 617 NZ LYS A 38 -22.431 9.181 -4.356 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.307 14.288 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.837 15.113 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.029 12.633 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.509 12.824 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.143 13.133 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.690 12.853 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.542 10.603 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.988 10.883 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.554 11.191 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.140 10.818 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.922 8.886 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.079 8.639 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.448 9.001 -4.478 1.00 0.00 H new ATOM 631 N GLU A 39 -23.511 14.938 1.120 1.00 0.00 N ATOM 632 CA GLU A 39 -24.133 15.364 2.374 1.00 0.00 C ATOM 633 C GLU A 39 -24.392 16.864 2.374 1.00 0.00 C ATOM 634 O GLU A 39 -25.403 17.324 2.901 1.00 0.00 O ATOM 635 CB GLU A 39 -23.279 14.967 3.592 1.00 0.00 C ATOM 636 CG GLU A 39 -23.339 13.491 3.922 1.00 0.00 C ATOM 637 CD GLU A 39 -24.689 13.076 4.463 1.00 0.00 C ATOM 638 OE1 GLU A 39 -24.869 13.091 5.695 1.00 0.00 O ATOM 639 OE2 GLU A 39 -25.583 12.734 3.666 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.576 14.543 1.223 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.090 14.848 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.242 15.246 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.611 15.538 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -23.116 12.912 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.568 13.254 4.655 1.00 0.00 H new ATOM 646 N ALA A 40 -23.502 17.621 1.741 1.00 0.00 N ATOM 647 CA ALA A 40 -23.645 19.068 1.698 1.00 0.00 C ATOM 648 C ALA A 40 -24.723 19.476 0.706 1.00 0.00 C ATOM 649 O ALA A 40 -25.388 20.490 0.891 1.00 0.00 O ATOM 650 CB ALA A 40 -22.314 19.754 1.378 1.00 0.00 C ATOM 0 H ALA A 40 -22.681 17.259 1.255 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.953 19.400 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.458 20.834 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.581 19.503 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.954 19.414 0.407 1.00 0.00 H new ATOM 656 N GLU A 41 -24.909 18.667 -0.336 1.00 0.00 N ATOM 657 CA GLU A 41 -25.930 18.945 -1.339 1.00 0.00 C ATOM 658 C GLU A 41 -27.310 18.699 -0.750 1.00 0.00 C ATOM 659 O GLU A 41 -28.213 19.524 -0.882 1.00 0.00 O ATOM 660 CB GLU A 41 -25.724 18.072 -2.582 1.00 0.00 C ATOM 661 CG GLU A 41 -24.381 18.280 -3.263 1.00 0.00 C ATOM 662 CD GLU A 41 -24.212 17.427 -4.498 1.00 0.00 C ATOM 663 OE1 GLU A 41 -23.765 16.272 -4.374 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.523 17.914 -5.605 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.368 17.819 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.847 19.990 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.818 17.024 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.520 18.281 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.276 19.330 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.582 18.052 -2.558 1.00 0.00 H new ATOM 671 N ARG A 42 -27.453 17.568 -0.076 1.00 0.00 N ATOM 672 CA ARG A 42 -28.720 17.208 0.560 1.00 0.00 C ATOM 673 C ARG A 42 -29.046 18.197 1.677 1.00 0.00 C ATOM 674 O ARG A 42 -30.201 18.602 1.854 1.00 0.00 O ATOM 675 CB ARG A 42 -28.660 15.777 1.125 1.00 0.00 C ATOM 676 CG ARG A 42 -29.976 15.282 1.699 1.00 0.00 C ATOM 677 CD ARG A 42 -29.816 13.906 2.319 1.00 0.00 C ATOM 678 NE ARG A 42 -31.080 13.380 2.831 1.00 0.00 N ATOM 679 CZ ARG A 42 -31.328 13.122 4.119 1.00 0.00 C ATOM 680 NH1 ARG A 42 -30.429 13.425 5.054 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -32.486 12.577 4.471 1.00 0.00 N ATOM 0 H ARG A 42 -26.710 16.881 0.047 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.506 17.249 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -28.343 15.098 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.898 15.737 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -30.336 15.984 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -30.729 15.245 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.413 13.219 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -29.091 13.957 3.131 1.00 0.00 H new ATOM 0 HE ARG A 42 -31.825 13.197 2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -29.544 13.857 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -30.626 13.225 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -33.183 12.356 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -32.679 12.379 5.453 1.00 0.00 H new ATOM 695 N LYS A 43 -28.014 18.601 2.411 1.00 0.00 N ATOM 696 CA LYS A 43 -28.180 19.546 3.511 1.00 0.00 C ATOM 697 C LYS A 43 -28.498 20.944 2.978 1.00 0.00 C ATOM 698 O LYS A 43 -29.179 21.717 3.634 1.00 0.00 O ATOM 699 CB LYS A 43 -26.929 19.581 4.416 1.00 0.00 C ATOM 700 CG LYS A 43 -27.119 20.364 5.706 1.00 0.00 C ATOM 701 CD LYS A 43 -25.843 20.378 6.534 1.00 0.00 C ATOM 702 CE LYS A 43 -26.059 21.047 7.884 1.00 0.00 C ATOM 703 NZ LYS A 43 -26.538 22.446 7.748 1.00 0.00 N1+ ATOM 0 H LYS A 43 -27.054 18.289 2.264 1.00 0.00 H new ATOM 0 HA LYS A 43 -29.020 19.207 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -26.643 18.558 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -26.101 20.017 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -27.416 21.387 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.928 19.922 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.495 19.356 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.060 20.904 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.783 20.472 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.125 21.038 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.525 22.909 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.916 22.964 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -27.509 22.446 7.374 1.00 0.00 H new ATOM 717 N ALA A 44 -28.021 21.256 1.771 1.00 0.00 N ATOM 718 CA ALA A 44 -28.285 22.558 1.169 1.00 0.00 C ATOM 719 C ALA A 44 -29.752 22.682 0.780 1.00 0.00 C ATOM 720 O ALA A 44 -30.309 23.784 0.750 1.00 0.00 O ATOM 721 CB ALA A 44 -27.378 22.801 -0.037 1.00 0.00 C ATOM 0 H ALA A 44 -27.456 20.629 1.198 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.063 23.325 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.597 23.779 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.335 22.769 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.554 22.029 -0.786 1.00 0.00 H new ATOM 727 N LEU A 45 -30.385 21.543 0.503 1.00 0.00 N ATOM 728 CA LEU A 45 -31.792 21.527 0.149 1.00 0.00 C ATOM 729 C LEU A 45 -32.641 21.557 1.411 1.00 0.00 C ATOM 730 O LEU A 45 -33.759 22.069 1.413 1.00 0.00 O ATOM 731 CB LEU A 45 -32.132 20.286 -0.695 1.00 0.00 C ATOM 732 CG LEU A 45 -31.320 20.110 -1.980 1.00 0.00 C ATOM 733 CD1 LEU A 45 -31.718 18.827 -2.688 1.00 0.00 C ATOM 734 CD2 LEU A 45 -31.501 21.306 -2.900 1.00 0.00 C ATOM 0 H LEU A 45 -29.942 20.624 0.518 1.00 0.00 H new ATOM 0 HA LEU A 45 -32.009 22.412 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -31.993 19.400 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -33.189 20.328 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 45 -30.266 20.044 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -31.131 18.717 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -31.532 17.977 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -32.778 18.865 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -30.915 21.159 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -32.554 21.408 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -31.164 22.210 -2.392 1.00 0.00 H new ATOM 746 N GLU A 46 -32.086 21.033 2.493 1.00 0.00 N ATOM 747 CA GLU A 46 -32.785 20.993 3.767 1.00 0.00 C ATOM 748 C GLU A 46 -32.579 22.307 4.512 1.00 0.00 C ATOM 749 O GLU A 46 -33.389 22.691 5.358 1.00 0.00 O ATOM 750 CB GLU A 46 -32.302 19.809 4.617 1.00 0.00 C ATOM 751 CG GLU A 46 -33.090 19.610 5.896 1.00 0.00 C ATOM 752 CD GLU A 46 -32.562 18.467 6.722 1.00 0.00 C ATOM 753 OE1 GLU A 46 -31.718 18.704 7.593 1.00 0.00 O ATOM 754 OE2 GLU A 46 -32.991 17.318 6.501 1.00 0.00 O1- ATOM 0 H GLU A 46 -31.150 20.628 2.513 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.850 20.858 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -32.360 18.899 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -31.252 19.959 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -33.058 20.526 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -34.136 19.425 5.651 1.00 0.00 H new ATOM 761 N ASP A 47 -31.498 23.003 4.172 1.00 0.00 N ATOM 762 CA ASP A 47 -31.180 24.293 4.790 1.00 0.00 C ATOM 763 C ASP A 47 -32.292 25.290 4.529 1.00 0.00 C ATOM 764 O ASP A 47 -32.581 26.133 5.361 1.00 0.00 O ATOM 765 CB ASP A 47 -29.829 24.849 4.282 1.00 0.00 C ATOM 766 CG ASP A 47 -29.461 26.171 4.930 1.00 0.00 C ATOM 767 OD1 ASP A 47 -29.791 27.237 4.363 1.00 0.00 O ATOM 768 OD2 ASP A 47 -28.825 26.151 6.002 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.824 22.697 3.470 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.090 24.134 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.043 24.120 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.878 24.980 3.201 1.00 0.00 H new ATOM 773 N LYS A 48 -32.941 25.157 3.377 1.00 0.00 N ATOM 774 CA LYS A 48 -34.038 26.040 3.018 1.00 0.00 C ATOM 775 C LYS A 48 -35.264 25.731 3.866 1.00 0.00 C ATOM 776 O LYS A 48 -36.035 26.624 4.220 1.00 0.00 O ATOM 777 CB LYS A 48 -34.373 25.908 1.528 1.00 0.00 C ATOM 778 CG LYS A 48 -33.232 26.316 0.606 1.00 0.00 C ATOM 779 CD LYS A 48 -33.606 26.168 -0.862 1.00 0.00 C ATOM 780 CE LYS A 48 -33.734 24.707 -1.269 1.00 0.00 C ATOM 781 NZ LYS A 48 -34.044 24.556 -2.716 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.724 24.446 2.678 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.730 27.068 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -34.648 24.875 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -35.246 26.522 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -32.955 27.351 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -32.356 25.704 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -34.549 26.682 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -32.850 26.652 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -32.805 24.185 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -34.519 24.234 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -34.123 23.546 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -34.944 25.032 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -33.283 24.984 -3.281 1.00 0.00 H new ATOM 795 N LEU A 49 -35.418 24.465 4.211 1.00 0.00 N ATOM 796 CA LEU A 49 -36.542 24.025 5.031 1.00 0.00 C ATOM 797 C LEU A 49 -36.322 24.421 6.485 1.00 0.00 C ATOM 798 O LEU A 49 -37.226 24.926 7.146 1.00 0.00 O ATOM 799 CB LEU A 49 -36.743 22.503 4.920 1.00 0.00 C ATOM 800 CG LEU A 49 -37.924 21.929 5.708 1.00 0.00 C ATOM 801 CD1 LEU A 49 -39.242 22.469 5.177 1.00 0.00 C ATOM 802 CD2 LEU A 49 -37.905 20.410 5.658 1.00 0.00 C ATOM 0 H LEU A 49 -34.779 23.719 3.937 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.443 24.516 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.874 22.248 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -35.831 22.009 5.257 1.00 0.00 H new ATOM 0 HG LEU A 49 -37.827 22.241 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -40.066 22.047 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -39.254 23.555 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -39.352 22.192 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -38.750 20.017 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.975 20.079 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -36.976 20.043 6.094 1.00 0.00 H new ATOM 814 N ALA A 50 -35.104 24.209 6.972 1.00 0.00 N ATOM 815 CA ALA A 50 -34.762 24.548 8.354 1.00 0.00 C ATOM 816 C ALA A 50 -34.708 26.060 8.542 1.00 0.00 C ATOM 817 O ALA A 50 -34.874 26.563 9.651 1.00 0.00 O ATOM 818 CB ALA A 50 -33.436 23.903 8.773 1.00 0.00 C ATOM 0 H ALA A 50 -34.337 23.805 6.434 1.00 0.00 H new ATOM 0 HA ALA A 50 -35.546 24.149 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -33.210 24.174 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -33.517 22.819 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -32.637 24.257 8.121 1.00 0.00 H new ATOM 824 N ASP A 51 -34.491 26.774 7.447 1.00 0.00 N ATOM 825 CA ASP A 51 -34.423 28.236 7.479 1.00 0.00 C ATOM 826 C ASP A 51 -35.828 28.829 7.473 1.00 0.00 C ATOM 827 O ASP A 51 -36.031 29.984 7.865 1.00 0.00 O ATOM 828 CB ASP A 51 -33.622 28.766 6.274 1.00 0.00 C ATOM 829 CG ASP A 51 -33.335 30.245 6.355 1.00 0.00 C ATOM 830 OD1 ASP A 51 -32.376 30.630 7.061 1.00 0.00 O ATOM 831 OD2 ASP A 51 -34.043 31.029 5.705 1.00 0.00 O1- ATOM 0 H ASP A 51 -34.358 26.368 6.521 1.00 0.00 H new ATOM 0 HA ASP A 51 -33.915 28.538 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -32.679 28.223 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -34.176 28.560 5.358 1.00 0.00 H new