USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 664 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 56:sc= 0.514 USER MOD Single : A 30 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-4.1!) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -4.03! C(o=-7.5!,f=-4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 170:sc= -0.018 (180deg=-0.217) USER MOD Single : B 25 SER OG : rot 46:sc= 1.04 USER MOD Single : B 30 HIS :FLIP no HE2:sc= -2.41! C(o=-5.3!,f=-2.4!) USER MOD Single : B 35 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN :FLIP amide:sc= -0.424 F(o=-3.4!,f=-0.42) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 9.113 8.851 -0.025 1.00 0.00 N ATOM 67 CA ALA A 7 9.831 8.444 1.177 1.00 0.00 C ATOM 68 C ALA A 7 9.574 9.401 2.325 1.00 0.00 C ATOM 69 O ALA A 7 10.479 9.733 3.092 1.00 0.00 O ATOM 70 CB ALA A 7 11.317 8.336 0.896 1.00 0.00 C ATOM 0 HA ALA A 7 9.459 7.463 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.838 8.031 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.487 7.595 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.696 9.304 0.568 1.00 0.00 H new ATOM 76 N VAL A 8 8.325 9.814 2.446 1.00 0.00 N ATOM 77 CA VAL A 8 7.906 10.699 3.513 1.00 0.00 C ATOM 78 C VAL A 8 7.737 9.885 4.776 1.00 0.00 C ATOM 79 O VAL A 8 6.665 9.828 5.370 1.00 0.00 O ATOM 80 CB VAL A 8 6.607 11.449 3.161 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.479 10.472 2.879 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.223 12.421 4.267 1.00 0.00 C ATOM 0 H VAL A 8 7.576 9.545 1.808 1.00 0.00 H new ATOM 0 HA VAL A 8 8.671 11.461 3.662 1.00 0.00 H new ATOM 0 HB VAL A 8 6.786 12.028 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.572 11.024 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.753 9.832 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.301 9.857 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.303 12.938 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.069 11.872 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.022 13.150 4.404 1.00 0.00 H new ATOM 92 N ASP A 9 8.812 9.199 5.130 1.00 0.00 N ATOM 93 CA ASP A 9 8.829 8.306 6.266 1.00 0.00 C ATOM 94 C ASP A 9 8.070 7.058 5.875 1.00 0.00 C ATOM 95 O ASP A 9 7.844 6.164 6.682 1.00 0.00 O ATOM 96 CB ASP A 9 8.215 8.965 7.498 1.00 0.00 C ATOM 97 CG ASP A 9 9.005 10.172 7.967 1.00 0.00 C ATOM 98 OD1 ASP A 9 10.031 10.496 7.331 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.597 10.795 8.970 1.00 0.00 O ATOM 0 H ASP A 9 9.700 9.250 4.631 1.00 0.00 H new ATOM 0 HA ASP A 9 9.856 8.054 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.193 9.269 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.159 8.236 8.306 1.00 0.00 H new ATOM 104 N ILE A 10 7.737 7.037 4.583 1.00 0.00 N ATOM 105 CA ILE A 10 7.039 5.966 3.905 1.00 0.00 C ATOM 106 C ILE A 10 5.739 5.519 4.578 1.00 0.00 C ATOM 107 O ILE A 10 4.688 5.507 3.937 1.00 0.00 O ATOM 108 CB ILE A 10 7.980 4.794 3.660 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.558 4.098 2.390 1.00 0.00 C ATOM 110 CG2 ILE A 10 8.002 3.845 4.836 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.490 5.044 1.207 1.00 0.00 C ATOM 0 H ILE A 10 7.963 7.811 3.958 1.00 0.00 H new ATOM 0 HA ILE A 10 6.718 6.378 2.948 1.00 0.00 H new ATOM 0 HB ILE A 10 8.999 5.163 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.260 3.294 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.582 3.636 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.684 3.021 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.338 4.376 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.999 3.452 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.182 4.493 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.767 5.834 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.472 5.486 1.038 1.00 0.00 H new ATOM 123 N GLY A 11 5.790 5.170 5.854 1.00 0.00 N ATOM 124 CA GLY A 11 4.594 4.757 6.550 1.00 0.00 C ATOM 125 C GLY A 11 3.581 5.850 6.569 1.00 0.00 C ATOM 126 O GLY A 11 2.423 5.632 6.906 1.00 0.00 O ATOM 0 H GLY A 11 6.639 5.166 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.174 3.876 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.844 4.471 7.572 1.00 0.00 H new ATOM 130 N ASP A 12 4.018 7.034 6.196 1.00 0.00 N ATOM 131 CA ASP A 12 3.147 8.163 6.153 1.00 0.00 C ATOM 132 C ASP A 12 2.200 8.030 4.979 1.00 0.00 C ATOM 133 O ASP A 12 1.028 8.392 5.056 1.00 0.00 O ATOM 134 CB ASP A 12 3.977 9.432 6.032 1.00 0.00 C ATOM 135 CG ASP A 12 4.684 9.791 7.325 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.595 9.005 8.290 1.00 0.00 O ATOM 137 OD2 ASP A 12 5.329 10.860 7.372 1.00 0.00 O ATOM 0 H ASP A 12 4.980 7.229 5.919 1.00 0.00 H new ATOM 0 HA ASP A 12 2.558 8.213 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.716 9.304 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.331 10.258 5.734 1.00 0.00 H new ATOM 142 N ARG A 13 2.730 7.487 3.902 1.00 0.00 N ATOM 143 CA ARG A 13 1.979 7.262 2.693 1.00 0.00 C ATOM 144 C ARG A 13 1.040 6.094 2.896 1.00 0.00 C ATOM 145 O ARG A 13 -0.157 6.149 2.620 1.00 0.00 O ATOM 146 CB ARG A 13 2.988 6.981 1.597 1.00 0.00 C ATOM 147 CG ARG A 13 3.864 8.189 1.344 1.00 0.00 C ATOM 148 CD ARG A 13 4.642 8.107 0.050 1.00 0.00 C ATOM 149 NE ARG A 13 4.755 9.434 -0.564 1.00 0.00 N ATOM 150 CZ ARG A 13 5.175 9.661 -1.805 1.00 0.00 C ATOM 151 NH1 ARG A 13 5.447 8.654 -2.616 1.00 0.00 N ATOM 152 NH2 ARG A 13 5.296 10.907 -2.244 1.00 0.00 N ATOM 0 H ARG A 13 3.704 7.188 3.845 1.00 0.00 H new ATOM 0 HA ARG A 13 1.370 8.125 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.608 6.130 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.467 6.706 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.241 9.083 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.563 8.302 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.636 7.702 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.145 7.422 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 13 4.492 10.241 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.335 7.693 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.769 8.837 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.067 11.689 -1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.618 11.083 -3.196 1.00 0.00 H new ATOM 166 N LEU A 14 1.636 5.059 3.422 1.00 0.00 N ATOM 167 CA LEU A 14 0.981 3.819 3.764 1.00 0.00 C ATOM 168 C LEU A 14 -0.169 4.037 4.731 1.00 0.00 C ATOM 169 O LEU A 14 -1.296 3.610 4.489 1.00 0.00 O ATOM 170 CB LEU A 14 2.052 2.997 4.433 1.00 0.00 C ATOM 171 CG LEU A 14 3.036 2.361 3.473 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.435 2.495 4.015 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.672 0.911 3.229 1.00 0.00 C ATOM 0 H LEU A 14 2.634 5.053 3.634 1.00 0.00 H new ATOM 0 HA LEU A 14 0.555 3.341 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.600 3.632 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.577 2.212 5.022 1.00 0.00 H new ATOM 0 HG LEU A 14 2.991 2.877 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.139 2.036 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.679 3.551 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.500 1.995 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.388 0.468 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.694 0.366 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.671 0.854 2.801 1.00 0.00 H new ATOM 185 N ASP A 15 0.144 4.700 5.829 1.00 0.00 N ATOM 186 CA ASP A 15 -0.836 4.988 6.858 1.00 0.00 C ATOM 187 C ASP A 15 -2.051 5.640 6.233 1.00 0.00 C ATOM 188 O ASP A 15 -3.178 5.195 6.421 1.00 0.00 O ATOM 189 CB ASP A 15 -0.226 5.926 7.901 1.00 0.00 C ATOM 190 CG ASP A 15 -0.983 5.909 9.215 1.00 0.00 C ATOM 191 OD1 ASP A 15 -1.987 5.172 9.315 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.572 6.635 10.146 1.00 0.00 O ATOM 0 H ASP A 15 1.080 5.052 6.031 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.135 4.059 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.811 5.640 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.213 6.942 7.507 1.00 0.00 H new ATOM 197 N GLU A 16 -1.797 6.698 5.478 1.00 0.00 N ATOM 198 CA GLU A 16 -2.850 7.432 4.805 1.00 0.00 C ATOM 199 C GLU A 16 -3.565 6.558 3.786 1.00 0.00 C ATOM 200 O GLU A 16 -4.745 6.749 3.507 1.00 0.00 O ATOM 201 CB GLU A 16 -2.278 8.670 4.119 1.00 0.00 C ATOM 202 CG GLU A 16 -1.588 9.620 5.080 1.00 0.00 C ATOM 203 CD GLU A 16 -1.122 10.896 4.408 1.00 0.00 C ATOM 204 OE1 GLU A 16 -1.975 11.624 3.859 1.00 0.00 O ATOM 205 OE2 GLU A 16 0.097 11.168 4.430 1.00 0.00 O ATOM 0 H GLU A 16 -0.860 7.068 5.317 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.575 7.742 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.567 8.358 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.083 9.200 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.272 9.870 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.732 9.117 5.529 1.00 0.00 H new ATOM 212 N LEU A 17 -2.838 5.601 3.232 1.00 0.00 N ATOM 213 CA LEU A 17 -3.391 4.699 2.236 1.00 0.00 C ATOM 214 C LEU A 17 -4.493 3.856 2.839 1.00 0.00 C ATOM 215 O LEU A 17 -5.583 3.735 2.285 1.00 0.00 O ATOM 216 CB LEU A 17 -2.297 3.786 1.679 1.00 0.00 C ATOM 217 CG LEU A 17 -2.732 2.951 0.476 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.245 3.852 -0.633 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.586 2.095 -0.018 1.00 0.00 C ATOM 0 H LEU A 17 -1.858 5.429 3.457 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.804 5.299 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.440 4.396 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.961 3.116 2.470 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.542 2.290 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.551 3.243 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.098 4.425 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.454 4.535 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.914 1.507 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.755 2.735 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.262 1.425 0.779 1.00 0.00 H new ATOM 231 N GLU A 18 -4.188 3.291 3.984 1.00 0.00 N ATOM 232 CA GLU A 18 -5.129 2.461 4.714 1.00 0.00 C ATOM 233 C GLU A 18 -6.301 3.287 5.150 1.00 0.00 C ATOM 234 O GLU A 18 -7.447 2.855 5.073 1.00 0.00 O ATOM 235 CB GLU A 18 -4.451 1.848 5.937 1.00 0.00 C ATOM 236 CG GLU A 18 -5.392 1.051 6.820 1.00 0.00 C ATOM 237 CD GLU A 18 -4.673 0.353 7.959 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.822 -0.516 7.680 1.00 0.00 O ATOM 239 OE2 GLU A 18 -4.958 0.680 9.129 1.00 0.00 O ATOM 0 H GLU A 18 -3.281 3.391 4.439 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.473 1.660 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.641 1.199 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.999 2.644 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.152 1.717 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.911 0.309 6.214 1.00 0.00 H new ATOM 246 N LYS A 19 -6.003 4.481 5.604 1.00 0.00 N ATOM 247 CA LYS A 19 -7.026 5.378 6.049 1.00 0.00 C ATOM 248 C LYS A 19 -7.930 5.717 4.885 1.00 0.00 C ATOM 249 O LYS A 19 -9.149 5.823 5.028 1.00 0.00 O ATOM 250 CB LYS A 19 -6.386 6.608 6.645 1.00 0.00 C ATOM 251 CG LYS A 19 -5.389 6.223 7.705 1.00 0.00 C ATOM 252 CD LYS A 19 -6.050 5.959 9.048 1.00 0.00 C ATOM 253 CE LYS A 19 -6.679 7.214 9.623 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.394 6.942 10.901 1.00 0.00 N ATOM 0 H LYS A 19 -5.054 4.849 5.672 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.636 4.912 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.890 7.182 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.153 7.252 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.849 5.331 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.653 7.019 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.814 5.190 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.310 5.570 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.905 7.963 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.377 7.635 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.809 7.825 11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.149 6.246 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.723 6.565 11.601 1.00 0.00 H new ATOM 268 N ALA A 20 -7.315 5.842 3.715 1.00 0.00 N ATOM 269 CA ALA A 20 -8.047 6.118 2.496 1.00 0.00 C ATOM 270 C ALA A 20 -8.950 4.961 2.192 1.00 0.00 C ATOM 271 O ALA A 20 -10.144 5.103 1.948 1.00 0.00 O ATOM 272 CB ALA A 20 -7.081 6.285 1.340 1.00 0.00 C ATOM 0 H ALA A 20 -6.306 5.755 3.590 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.626 7.032 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.639 6.492 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.404 7.114 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.504 5.369 1.213 1.00 0.00 H new ATOM 278 N LEU A 21 -8.330 3.814 2.220 1.00 0.00 N ATOM 279 CA LEU A 21 -8.969 2.567 1.966 1.00 0.00 C ATOM 280 C LEU A 21 -10.167 2.385 2.858 1.00 0.00 C ATOM 281 O LEU A 21 -11.234 1.972 2.410 1.00 0.00 O ATOM 282 CB LEU A 21 -7.952 1.497 2.208 1.00 0.00 C ATOM 283 CG LEU A 21 -7.787 0.519 1.095 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.778 0.793 0.017 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.410 0.599 0.536 1.00 0.00 C ATOM 0 H LEU A 21 -7.335 3.726 2.427 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.335 2.524 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.989 1.970 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.228 0.953 3.111 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.954 -0.483 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.647 0.072 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.787 0.707 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.626 1.801 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.304 -0.121 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.230 1.604 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.686 0.372 1.319 1.00 0.00 H new ATOM 297 N GLU A 22 -9.983 2.712 4.119 1.00 0.00 N ATOM 298 CA GLU A 22 -11.052 2.617 5.084 1.00 0.00 C ATOM 299 C GLU A 22 -12.301 3.235 4.505 1.00 0.00 C ATOM 300 O GLU A 22 -13.420 2.789 4.759 1.00 0.00 O ATOM 301 CB GLU A 22 -10.668 3.312 6.390 1.00 0.00 C ATOM 302 CG GLU A 22 -9.600 2.576 7.182 1.00 0.00 C ATOM 303 CD GLU A 22 -9.235 3.288 8.469 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.144 3.538 9.286 1.00 0.00 O ATOM 305 OE2 GLU A 22 -8.040 3.590 8.662 1.00 0.00 O ATOM 0 H GLU A 22 -9.098 3.047 4.499 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.238 1.566 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.313 4.318 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.558 3.419 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.953 1.571 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.707 2.466 6.566 1.00 0.00 H new ATOM 312 N ALA A 23 -12.081 4.247 3.691 1.00 0.00 N ATOM 313 CA ALA A 23 -13.162 4.925 3.019 1.00 0.00 C ATOM 314 C ALA A 23 -13.640 4.070 1.856 1.00 0.00 C ATOM 315 O ALA A 23 -14.837 3.867 1.667 1.00 0.00 O ATOM 316 CB ALA A 23 -12.709 6.295 2.539 1.00 0.00 C ATOM 0 H ALA A 23 -11.154 4.618 3.480 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.990 5.073 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.535 6.795 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.391 6.893 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.876 6.180 1.846 1.00 0.00 H new ATOM 322 N LEU A 24 -12.678 3.557 1.091 1.00 0.00 N ATOM 323 CA LEU A 24 -12.969 2.697 -0.054 1.00 0.00 C ATOM 324 C LEU A 24 -13.295 1.279 0.397 1.00 0.00 C ATOM 325 O LEU A 24 -13.324 0.359 -0.415 1.00 0.00 O ATOM 326 CB LEU A 24 -11.768 2.634 -1.001 1.00 0.00 C ATOM 327 CG LEU A 24 -11.398 3.928 -1.722 1.00 0.00 C ATOM 328 CD1 LEU A 24 -12.452 4.318 -2.733 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.162 5.041 -0.729 1.00 0.00 C ATOM 0 H LEU A 24 -11.684 3.724 1.245 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.829 3.125 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.901 2.302 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.966 1.870 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.471 3.753 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.157 5.243 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.555 3.526 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.405 4.466 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.899 5.955 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.069 5.208 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.347 4.765 -0.060 1.00 0.00 H new ATOM 341 N SER A 25 -13.506 1.114 1.695 1.00 0.00 N ATOM 342 CA SER A 25 -13.792 -0.194 2.289 1.00 0.00 C ATOM 343 C SER A 25 -14.856 -0.970 1.519 1.00 0.00 C ATOM 344 O SER A 25 -16.026 -0.990 1.901 1.00 0.00 O ATOM 345 CB SER A 25 -14.219 -0.027 3.743 1.00 0.00 C ATOM 346 OG SER A 25 -15.365 0.798 3.851 1.00 0.00 O ATOM 0 H SER A 25 -13.485 1.879 2.369 1.00 0.00 H new ATOM 0 HA SER A 25 -12.871 -0.775 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.430 -1.004 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.400 0.407 4.317 1.00 0.00 H new ATOM 0 HG SER A 25 -16.084 0.433 3.295 1.00 0.00 H new ATOM 352 N ALA A 26 -14.427 -1.617 0.439 1.00 0.00 N ATOM 353 CA ALA A 26 -15.317 -2.416 -0.398 1.00 0.00 C ATOM 354 C ALA A 26 -16.619 -1.683 -0.677 1.00 0.00 C ATOM 355 O ALA A 26 -17.673 -2.290 -0.864 1.00 0.00 O ATOM 356 CB ALA A 26 -15.608 -3.732 0.278 1.00 0.00 C ATOM 0 H ALA A 26 -13.458 -1.603 0.121 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.817 -2.594 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.273 -4.325 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.676 -4.275 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.086 -3.549 1.240 1.00 0.00 H new ATOM 362 N GLU A 27 -16.521 -0.375 -0.675 1.00 0.00 N ATOM 363 CA GLU A 27 -17.662 0.500 -0.898 1.00 0.00 C ATOM 364 C GLU A 27 -18.275 0.337 -2.277 1.00 0.00 C ATOM 365 O GLU A 27 -19.485 0.496 -2.443 1.00 0.00 O ATOM 366 CB GLU A 27 -17.242 1.943 -0.675 1.00 0.00 C ATOM 367 CG GLU A 27 -17.077 2.276 0.795 1.00 0.00 C ATOM 368 CD GLU A 27 -18.396 2.315 1.542 1.00 0.00 C ATOM 369 OE1 GLU A 27 -19.081 1.271 1.595 1.00 0.00 O ATOM 370 OE2 GLU A 27 -18.744 3.389 2.076 1.00 0.00 O ATOM 0 H GLU A 27 -15.644 0.122 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.434 0.217 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.302 2.130 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.986 2.607 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.424 1.537 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.582 3.243 0.890 1.00 0.00 H new ATOM 377 N ASP A 28 -17.450 0.049 -3.270 1.00 0.00 N ATOM 378 CA ASP A 28 -17.955 -0.094 -4.624 1.00 0.00 C ATOM 379 C ASP A 28 -17.059 -0.967 -5.471 1.00 0.00 C ATOM 380 O ASP A 28 -16.678 -0.609 -6.586 1.00 0.00 O ATOM 381 CB ASP A 28 -18.087 1.280 -5.242 1.00 0.00 C ATOM 382 CG ASP A 28 -19.038 1.309 -6.424 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.594 0.243 -6.767 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.226 2.397 -7.009 1.00 0.00 O ATOM 0 H ASP A 28 -16.445 -0.088 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.928 -0.583 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.436 1.981 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.104 1.623 -5.565 1.00 0.00 H new ATOM 389 N GLY A 29 -16.743 -2.118 -4.928 1.00 0.00 N ATOM 390 CA GLY A 29 -15.905 -3.064 -5.619 1.00 0.00 C ATOM 391 C GLY A 29 -14.569 -2.478 -5.994 1.00 0.00 C ATOM 392 O GLY A 29 -14.131 -2.600 -7.139 1.00 0.00 O ATOM 0 H GLY A 29 -17.056 -2.422 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.751 -3.939 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.414 -3.407 -6.520 1.00 0.00 H new ATOM 396 N HIS A 30 -13.918 -1.835 -5.032 1.00 0.00 N ATOM 397 CA HIS A 30 -12.623 -1.231 -5.278 1.00 0.00 C ATOM 398 C HIS A 30 -11.523 -2.283 -5.313 1.00 0.00 C ATOM 399 O HIS A 30 -10.452 -2.093 -4.742 1.00 0.00 O ATOM 400 CB HIS A 30 -12.304 -0.155 -4.236 1.00 0.00 C ATOM 401 CG HIS A 30 -13.173 1.058 -4.367 1.00 0.00 C ATOM 402 ND1 HIS A 30 -13.184 1.848 -5.498 1.00 0.00 N ATOM 403 CD2 HIS A 30 -14.067 1.615 -3.517 1.00 0.00 C ATOM 404 CE1 HIS A 30 -14.043 2.836 -5.337 1.00 0.00 C ATOM 405 NE2 HIS A 30 -14.595 2.717 -4.144 1.00 0.00 N ATOM 0 H HIS A 30 -14.267 -1.721 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.668 -0.752 -6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.424 -0.576 -3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.259 0.140 -4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.319 1.259 -2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.258 3.610 -6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.299 3.342 -3.752 1.00 0.00 H new ATOM 414 N ASP A 31 -11.792 -3.394 -5.994 1.00 0.00 N ATOM 415 CA ASP A 31 -10.815 -4.466 -6.112 1.00 0.00 C ATOM 416 C ASP A 31 -9.549 -3.952 -6.788 1.00 0.00 C ATOM 417 O ASP A 31 -8.492 -4.580 -6.720 1.00 0.00 O ATOM 418 CB ASP A 31 -11.397 -5.646 -6.898 1.00 0.00 C ATOM 419 CG ASP A 31 -11.664 -5.321 -8.355 1.00 0.00 C ATOM 420 OD1 ASP A 31 -11.480 -4.154 -8.754 1.00 0.00 O ATOM 421 OD2 ASP A 31 -12.064 -6.241 -9.099 1.00 0.00 O ATOM 0 H ASP A 31 -12.676 -3.573 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.562 -4.814 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.707 -6.488 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.327 -5.964 -6.427 1.00 0.00 H new ATOM 426 N ASP A 32 -9.668 -2.792 -7.430 1.00 0.00 N ATOM 427 CA ASP A 32 -8.542 -2.167 -8.111 1.00 0.00 C ATOM 428 C ASP A 32 -7.539 -1.683 -7.097 1.00 0.00 C ATOM 429 O ASP A 32 -6.354 -1.544 -7.384 1.00 0.00 O ATOM 430 CB ASP A 32 -9.012 -1.013 -9.002 1.00 0.00 C ATOM 431 CG ASP A 32 -9.799 0.039 -8.240 1.00 0.00 C ATOM 432 OD1 ASP A 32 -10.023 -0.146 -7.026 1.00 0.00 O ATOM 433 OD2 ASP A 32 -10.197 1.046 -8.863 1.00 0.00 O ATOM 0 H ASP A 32 -10.539 -2.265 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.067 -2.909 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.145 -0.544 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.631 -1.410 -9.807 1.00 0.00 H new ATOM 438 N VAL A 33 -8.027 -1.437 -5.904 1.00 0.00 N ATOM 439 CA VAL A 33 -7.188 -0.984 -4.835 1.00 0.00 C ATOM 440 C VAL A 33 -6.227 -2.079 -4.416 1.00 0.00 C ATOM 441 O VAL A 33 -5.033 -1.842 -4.251 1.00 0.00 O ATOM 442 CB VAL A 33 -8.029 -0.574 -3.640 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.142 -0.077 -2.517 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.037 0.473 -4.061 1.00 0.00 C ATOM 0 H VAL A 33 -9.010 -1.546 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.621 -0.123 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.576 -1.440 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.759 0.213 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.459 -0.871 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.569 0.784 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.639 0.765 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.514 1.346 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.685 0.063 -4.835 1.00 0.00 H new ATOM 454 N GLY A 34 -6.762 -3.284 -4.256 1.00 0.00 N ATOM 455 CA GLY A 34 -5.943 -4.411 -3.870 1.00 0.00 C ATOM 456 C GLY A 34 -4.936 -4.756 -4.938 1.00 0.00 C ATOM 457 O GLY A 34 -3.859 -5.262 -4.641 1.00 0.00 O ATOM 0 H GLY A 34 -7.751 -3.498 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.424 -4.182 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.579 -5.275 -3.676 1.00 0.00 H new ATOM 461 N GLN A 35 -5.288 -4.481 -6.189 1.00 0.00 N ATOM 462 CA GLN A 35 -4.395 -4.759 -7.298 1.00 0.00 C ATOM 463 C GLN A 35 -3.196 -3.833 -7.221 1.00 0.00 C ATOM 464 O GLN A 35 -2.064 -4.227 -7.504 1.00 0.00 O ATOM 465 CB GLN A 35 -5.132 -4.615 -8.635 1.00 0.00 C ATOM 466 CG GLN A 35 -4.986 -3.252 -9.294 1.00 0.00 C ATOM 467 CD GLN A 35 -5.677 -3.168 -10.644 1.00 0.00 C ATOM 468 OE1 GLN A 35 -6.247 -4.280 -11.099 1.00 0.00 O flip ATOM 469 NE2 GLN A 35 -5.695 -2.112 -11.276 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.182 -4.068 -6.456 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.044 -5.789 -7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.764 -5.377 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.191 -4.815 -8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.398 -2.489 -8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.927 -3.027 -9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.246 -1.280 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.159 -2.069 -12.183 1.00 0.00 H new ATOM 478 N ARG A 36 -3.457 -2.609 -6.788 1.00 0.00 N ATOM 479 CA ARG A 36 -2.425 -1.621 -6.612 1.00 0.00 C ATOM 480 C ARG A 36 -1.627 -1.989 -5.379 1.00 0.00 C ATOM 481 O ARG A 36 -0.400 -1.996 -5.382 1.00 0.00 O ATOM 482 CB ARG A 36 -3.041 -0.234 -6.431 1.00 0.00 C ATOM 483 CG ARG A 36 -3.967 0.178 -7.556 1.00 0.00 C ATOM 484 CD ARG A 36 -3.170 0.607 -8.762 1.00 0.00 C ATOM 485 NE ARG A 36 -4.022 1.010 -9.877 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.552 1.395 -11.060 1.00 0.00 C ATOM 487 NH1 ARG A 36 -2.245 1.420 -11.279 1.00 0.00 N ATOM 488 NH2 ARG A 36 -4.389 1.756 -12.023 1.00 0.00 N ATOM 0 H ARG A 36 -4.393 -2.281 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.782 -1.597 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.594 -0.213 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.240 0.500 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.620 -0.653 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.609 0.995 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.519 1.437 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.525 -0.213 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.033 0.995 -9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.599 1.144 -10.540 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.886 1.715 -12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.395 1.739 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.027 2.051 -12.930 1.00 0.00 H new ATOM 502 N LEU A 37 -2.374 -2.317 -4.333 1.00 0.00 N ATOM 503 CA LEU A 37 -1.846 -2.717 -3.067 1.00 0.00 C ATOM 504 C LEU A 37 -0.901 -3.891 -3.190 1.00 0.00 C ATOM 505 O LEU A 37 0.196 -3.888 -2.631 1.00 0.00 O ATOM 506 CB LEU A 37 -3.028 -3.089 -2.211 1.00 0.00 C ATOM 507 CG LEU A 37 -3.527 -1.972 -1.361 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.801 -2.342 -0.623 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.441 -1.550 -0.390 1.00 0.00 C ATOM 0 H LEU A 37 -3.394 -2.307 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.267 -1.903 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.837 -3.434 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.752 -3.926 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.775 -1.134 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.128 -1.498 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.579 -2.594 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.612 -3.201 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.806 -0.733 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.171 -2.395 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.564 -1.219 -0.946 1.00 0.00 H new ATOM 521 N GLU A 38 -1.345 -4.897 -3.914 1.00 0.00 N ATOM 522 CA GLU A 38 -0.557 -6.089 -4.109 1.00 0.00 C ATOM 523 C GLU A 38 0.669 -5.760 -4.919 1.00 0.00 C ATOM 524 O GLU A 38 1.786 -6.121 -4.566 1.00 0.00 O ATOM 525 CB GLU A 38 -1.391 -7.150 -4.810 1.00 0.00 C ATOM 526 CG GLU A 38 -0.934 -8.568 -4.526 1.00 0.00 C ATOM 527 CD GLU A 38 -1.721 -9.604 -5.304 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.959 -9.641 -5.157 1.00 0.00 O ATOM 529 OE2 GLU A 38 -1.098 -10.380 -6.059 1.00 0.00 O ATOM 0 H GLU A 38 -2.253 -4.910 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.242 -6.478 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.431 -7.044 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.357 -6.975 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.124 -8.661 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.031 -8.770 -3.459 1.00 0.00 H new ATOM 536 N SER A 39 0.434 -5.044 -5.993 1.00 0.00 N ATOM 537 CA SER A 39 1.509 -4.609 -6.874 1.00 0.00 C ATOM 538 C SER A 39 2.588 -3.934 -6.047 1.00 0.00 C ATOM 539 O SER A 39 3.775 -4.204 -6.207 1.00 0.00 O ATOM 540 CB SER A 39 0.975 -3.632 -7.918 1.00 0.00 C ATOM 541 OG SER A 39 1.960 -3.332 -8.891 1.00 0.00 O ATOM 0 H SER A 39 -0.496 -4.745 -6.285 1.00 0.00 H new ATOM 0 HA SER A 39 1.925 -5.476 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.098 -4.059 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.652 -2.713 -7.428 1.00 0.00 H new ATOM 0 HG SER A 39 1.591 -2.706 -9.548 1.00 0.00 H new ATOM 547 N LEU A 40 2.152 -3.070 -5.140 1.00 0.00 N ATOM 548 CA LEU A 40 3.043 -2.361 -4.259 1.00 0.00 C ATOM 549 C LEU A 40 4.022 -3.315 -3.610 1.00 0.00 C ATOM 550 O LEU A 40 5.235 -3.114 -3.660 1.00 0.00 O ATOM 551 CB LEU A 40 2.231 -1.676 -3.171 1.00 0.00 C ATOM 552 CG LEU A 40 1.366 -0.504 -3.622 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.495 -0.028 -2.472 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.233 0.627 -4.144 1.00 0.00 C ATOM 0 H LEU A 40 1.166 -2.847 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 40 3.597 -1.625 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.586 -2.420 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.917 -1.321 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 40 0.719 -0.836 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.119 0.809 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.149 -0.843 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.128 0.292 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.599 1.455 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.904 0.966 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.820 0.274 -4.992 1.00 0.00 H new ATOM 566 N LEU A 41 3.477 -4.345 -2.980 1.00 0.00 N ATOM 567 CA LEU A 41 4.285 -5.329 -2.294 1.00 0.00 C ATOM 568 C LEU A 41 5.014 -6.265 -3.228 1.00 0.00 C ATOM 569 O LEU A 41 6.220 -6.414 -3.137 1.00 0.00 O ATOM 570 CB LEU A 41 3.424 -6.135 -1.380 1.00 0.00 C ATOM 571 CG LEU A 41 3.338 -5.604 0.043 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.445 -6.499 0.867 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.717 -5.522 0.670 1.00 0.00 C ATOM 0 H LEU A 41 2.473 -4.517 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 41 5.041 -4.774 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.418 -6.182 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.805 -7.156 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 41 2.915 -4.600 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.386 -6.116 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.447 -6.520 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.856 -7.508 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.632 -5.140 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.166 -6.515 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.345 -4.852 0.082 1.00 0.00 H new ATOM 585 N ARG A 42 4.290 -6.921 -4.112 1.00 0.00 N ATOM 586 CA ARG A 42 4.927 -7.847 -5.025 1.00 0.00 C ATOM 587 C ARG A 42 6.147 -7.187 -5.634 1.00 0.00 C ATOM 588 O ARG A 42 7.114 -7.851 -5.999 1.00 0.00 O ATOM 589 CB ARG A 42 3.964 -8.309 -6.119 1.00 0.00 C ATOM 590 CG ARG A 42 2.834 -9.186 -5.613 1.00 0.00 C ATOM 591 CD ARG A 42 3.363 -10.488 -5.033 1.00 0.00 C ATOM 592 NE ARG A 42 2.283 -11.365 -4.584 1.00 0.00 N ATOM 593 CZ ARG A 42 1.426 -11.048 -3.617 1.00 0.00 C ATOM 594 NH1 ARG A 42 1.535 -9.890 -2.979 1.00 0.00 N ATOM 595 NH2 ARG A 42 0.460 -11.894 -3.284 1.00 0.00 N ATOM 0 H ARG A 42 3.279 -6.833 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 42 5.230 -8.733 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.539 -7.433 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.525 -8.857 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.268 -8.650 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.145 -9.402 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.960 -11.004 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.025 -10.269 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 42 2.181 -12.272 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.278 -9.238 -3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.875 -9.652 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.375 -12.787 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.197 -11.651 -2.543 1.00 0.00 H new ATOM 609 N ARG A 43 6.103 -5.864 -5.692 1.00 0.00 N ATOM 610 CA ARG A 43 7.211 -5.093 -6.198 1.00 0.00 C ATOM 611 C ARG A 43 8.143 -4.765 -5.042 1.00 0.00 C ATOM 612 O ARG A 43 9.363 -4.727 -5.196 1.00 0.00 O ATOM 613 CB ARG A 43 6.736 -3.812 -6.890 1.00 0.00 C ATOM 614 CG ARG A 43 5.833 -4.055 -8.093 1.00 0.00 C ATOM 615 CD ARG A 43 6.447 -5.036 -9.077 1.00 0.00 C ATOM 616 NE ARG A 43 5.643 -5.178 -10.287 1.00 0.00 N ATOM 617 CZ ARG A 43 5.978 -5.961 -11.308 1.00 0.00 C ATOM 618 NH1 ARG A 43 7.104 -6.661 -11.270 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.189 -6.043 -12.370 1.00 0.00 N ATOM 0 H ARG A 43 5.304 -5.307 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 43 7.741 -5.681 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.201 -3.197 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.607 -3.241 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.871 -4.437 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.639 -3.109 -8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.449 -4.700 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.555 -6.009 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 43 4.775 -4.646 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.716 -6.599 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.358 -7.261 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.323 -5.505 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.448 -6.644 -13.152 1.00 0.00 H new ATOM 633 N TRP A 44 7.546 -4.549 -3.871 1.00 0.00 N ATOM 634 CA TRP A 44 8.287 -4.244 -2.670 1.00 0.00 C ATOM 635 C TRP A 44 9.042 -5.471 -2.166 1.00 0.00 C ATOM 636 O TRP A 44 10.268 -5.459 -2.059 1.00 0.00 O ATOM 637 CB TRP A 44 7.330 -3.761 -1.596 1.00 0.00 C ATOM 638 CG TRP A 44 8.033 -3.428 -0.334 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.807 -4.005 0.863 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.078 -2.466 -0.139 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.630 -3.455 1.818 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.425 -2.513 1.221 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.755 -1.564 -0.972 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.414 -1.699 1.763 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.731 -0.760 -0.417 1.00 0.00 C ATOM 646 CH2 TRP A 44 11.049 -0.834 0.928 1.00 0.00 C ATOM 0 H TRP A 44 6.535 -4.583 -3.739 1.00 0.00 H new ATOM 0 HA TRP A 44 9.013 -3.465 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.795 -2.882 -1.956 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.583 -4.531 -1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.084 -4.786 1.046 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.646 -3.707 2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.519 -1.499 -2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.669 -1.752 2.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.258 -0.058 -1.046 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.820 -0.189 1.324 1.00 0.00 H new ATOM 657 N ASN A 45 8.293 -6.528 -1.856 1.00 0.00 N ATOM 658 CA ASN A 45 8.868 -7.768 -1.361 1.00 0.00 C ATOM 659 C ASN A 45 9.906 -8.337 -2.314 1.00 0.00 C ATOM 660 O ASN A 45 10.934 -8.869 -1.892 1.00 0.00 O ATOM 661 CB ASN A 45 7.748 -8.777 -1.134 1.00 0.00 C ATOM 662 CG ASN A 45 6.904 -8.449 0.069 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.650 -8.112 -0.184 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.373 -8.483 1.207 1.00 0.00 N flip ATOM 0 H ASN A 45 7.277 -6.545 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 45 9.381 -7.558 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.113 -8.814 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.179 -9.770 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.347 -8.750 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.787 -8.245 2.007 1.00 0.00 H new ATOM 671 N SER A 46 9.622 -8.226 -3.594 1.00 0.00 N ATOM 672 CA SER A 46 10.517 -8.733 -4.628 1.00 0.00 C ATOM 673 C SER A 46 11.859 -8.011 -4.608 1.00 0.00 C ATOM 674 O SER A 46 12.914 -8.645 -4.653 1.00 0.00 O ATOM 675 CB SER A 46 9.870 -8.584 -5.999 1.00 0.00 C ATOM 676 OG SER A 46 10.714 -9.083 -7.022 1.00 0.00 O ATOM 0 H SER A 46 8.774 -7.787 -3.951 1.00 0.00 H new ATOM 0 HA SER A 46 10.698 -9.788 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.920 -9.118 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.649 -7.533 -6.187 1.00 0.00 H new ATOM 0 HG SER A 46 10.273 -8.976 -7.891 1.00 0.00 H new ATOM 682 N ARG A 47 11.815 -6.684 -4.536 1.00 0.00 N ATOM 683 CA ARG A 47 13.033 -5.887 -4.508 1.00 0.00 C ATOM 684 C ARG A 47 13.881 -6.249 -3.302 1.00 0.00 C ATOM 685 O ARG A 47 15.110 -6.267 -3.375 1.00 0.00 O ATOM 686 CB ARG A 47 12.693 -4.402 -4.493 1.00 0.00 C ATOM 687 CG ARG A 47 12.199 -3.888 -5.834 1.00 0.00 C ATOM 688 CD ARG A 47 11.629 -2.492 -5.701 1.00 0.00 C ATOM 689 NE ARG A 47 11.396 -1.857 -6.997 1.00 0.00 N ATOM 690 CZ ARG A 47 10.543 -2.318 -7.909 1.00 0.00 C ATOM 691 NH1 ARG A 47 9.840 -3.415 -7.673 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.394 -1.677 -9.060 1.00 0.00 N ATOM 0 H ARG A 47 10.952 -6.141 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 47 13.608 -6.104 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.929 -4.218 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.577 -3.836 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.020 -3.883 -6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.437 -4.560 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.691 -2.537 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.314 -1.877 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 47 11.919 -1.009 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.951 -3.911 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.188 -3.764 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.933 -0.831 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.741 -2.030 -9.759 1.00 0.00 H new ATOM 706 N ARG A 48 13.214 -6.558 -2.198 1.00 0.00 N ATOM 707 CA ARG A 48 13.905 -6.945 -0.979 1.00 0.00 C ATOM 708 C ARG A 48 14.816 -8.126 -1.263 1.00 0.00 C ATOM 709 O ARG A 48 16.012 -8.099 -0.971 1.00 0.00 O ATOM 710 CB ARG A 48 12.891 -7.326 0.094 1.00 0.00 C ATOM 711 CG ARG A 48 12.042 -6.163 0.576 1.00 0.00 C ATOM 712 CD ARG A 48 11.068 -6.602 1.654 1.00 0.00 C ATOM 713 NE ARG A 48 11.757 -7.115 2.835 1.00 0.00 N ATOM 714 CZ ARG A 48 11.131 -7.556 3.922 1.00 0.00 C ATOM 715 NH1 ARG A 48 9.806 -7.544 3.979 1.00 0.00 N ATOM 716 NH2 ARG A 48 11.830 -8.011 4.952 1.00 0.00 N ATOM 0 H ARG A 48 12.197 -6.548 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 48 14.501 -6.105 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.236 -8.104 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.420 -7.754 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.687 -5.375 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.492 -5.739 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.438 -5.759 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.408 -7.373 1.255 1.00 0.00 H new ATOM 0 HE ARG A 48 12.777 -7.136 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.265 -7.196 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.328 -7.883 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.849 -8.023 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.349 -8.349 5.785 1.00 0.00 H new ATOM 730 N ALA A 49 14.227 -9.157 -1.849 1.00 0.00 N ATOM 731 CA ALA A 49 14.953 -10.367 -2.204 1.00 0.00 C ATOM 732 C ALA A 49 16.106 -10.059 -3.145 1.00 0.00 C ATOM 733 O ALA A 49 17.178 -10.662 -3.058 1.00 0.00 O ATOM 734 CB ALA A 49 14.007 -11.379 -2.834 1.00 0.00 C ATOM 0 H ALA A 49 13.236 -9.179 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 49 15.371 -10.794 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.561 -12.281 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.218 -11.630 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.563 -10.952 -3.733 1.00 0.00 H new ATOM 946 N ALA B 7 -9.729 8.773 0.831 1.00 0.00 N ATOM 947 CA ALA B 7 -10.533 8.417 -0.332 1.00 0.00 C ATOM 948 C ALA B 7 -10.189 9.302 -1.523 1.00 0.00 C ATOM 949 O ALA B 7 -11.062 9.672 -2.309 1.00 0.00 O ATOM 950 CB ALA B 7 -12.015 8.519 -0.004 1.00 0.00 C ATOM 0 HA ALA B 7 -10.305 7.385 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.601 8.250 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -12.254 7.839 0.814 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.253 9.541 0.292 1.00 0.00 H new ATOM 956 N VAL B 8 -8.909 9.635 -1.646 1.00 0.00 N ATOM 957 CA VAL B 8 -8.432 10.472 -2.737 1.00 0.00 C ATOM 958 C VAL B 8 -8.321 9.649 -4.019 1.00 0.00 C ATOM 959 O VAL B 8 -7.247 9.523 -4.608 1.00 0.00 O ATOM 960 CB VAL B 8 -7.069 11.107 -2.387 1.00 0.00 C ATOM 961 CG1 VAL B 8 -5.993 10.044 -2.250 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.675 12.148 -3.425 1.00 0.00 C ATOM 0 H VAL B 8 -8.180 9.335 -0.998 1.00 0.00 H new ATOM 0 HA VAL B 8 -9.151 11.276 -2.894 1.00 0.00 H new ATOM 0 HB VAL B 8 -7.168 11.609 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -5.043 10.518 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.268 9.348 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.895 9.502 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.711 12.582 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.601 11.675 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.430 12.933 -3.457 1.00 0.00 H new ATOM 972 N ASP B 9 -9.446 9.060 -4.421 1.00 0.00 N ATOM 973 CA ASP B 9 -9.501 8.212 -5.604 1.00 0.00 C ATOM 974 C ASP B 9 -8.873 6.856 -5.301 1.00 0.00 C ATOM 975 O ASP B 9 -8.978 5.934 -6.104 1.00 0.00 O ATOM 976 CB ASP B 9 -8.804 8.870 -6.800 1.00 0.00 C ATOM 977 CG ASP B 9 -9.459 10.175 -7.209 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.455 10.568 -6.565 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.977 10.804 -8.174 1.00 0.00 O ATOM 0 H ASP B 9 -10.339 9.158 -3.937 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.548 8.071 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.759 9.054 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -8.814 8.182 -7.645 1.00 0.00 H new ATOM 984 N ILE B 10 -8.236 6.760 -4.122 1.00 0.00 N ATOM 985 CA ILE B 10 -7.580 5.534 -3.646 1.00 0.00 C ATOM 986 C ILE B 10 -6.347 5.178 -4.481 1.00 0.00 C ATOM 987 O ILE B 10 -5.318 4.780 -3.936 1.00 0.00 O ATOM 988 CB ILE B 10 -8.563 4.337 -3.591 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.148 3.366 -2.484 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.634 3.606 -4.924 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.070 4.001 -1.112 1.00 0.00 C ATOM 0 H ILE B 10 -8.162 7.539 -3.468 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.245 5.742 -2.630 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.555 4.733 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.859 2.541 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.176 2.940 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.333 2.773 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.974 4.294 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.646 3.227 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.770 3.251 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.337 4.808 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.046 4.402 -0.841 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.448 5.330 -5.798 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.334 5.025 -6.673 1.00 0.00 C ATOM 1005 C GLY B 11 -4.193 6.013 -6.531 1.00 0.00 C ATOM 1006 O GLY B 11 -3.033 5.658 -6.726 1.00 0.00 O ATOM 0 H GLY B 11 -7.287 5.661 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.970 4.021 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.679 5.021 -7.707 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.522 7.259 -6.201 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.511 8.299 -6.044 1.00 0.00 C ATOM 1012 C ASP B 12 -2.517 7.947 -4.940 1.00 0.00 C ATOM 1013 O ASP B 12 -1.306 7.970 -5.159 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.174 9.646 -5.747 1.00 0.00 C ATOM 1015 CG ASP B 12 -4.957 10.176 -6.932 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -4.344 10.401 -7.995 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -6.183 10.363 -6.798 1.00 0.00 O ATOM 0 H ASP B 12 -5.479 7.572 -6.038 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.961 8.372 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.841 9.539 -4.892 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -3.410 10.371 -5.466 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.029 7.615 -3.759 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.170 7.251 -2.636 1.00 0.00 C ATOM 1024 C ARG B 13 -1.435 5.947 -2.922 1.00 0.00 C ATOM 1025 O ARG B 13 -0.273 5.785 -2.551 1.00 0.00 O ATOM 1026 CB ARG B 13 -2.987 7.144 -1.346 1.00 0.00 C ATOM 1027 CG ARG B 13 -3.481 8.493 -0.852 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.316 8.376 0.412 1.00 0.00 C ATOM 1029 NE ARG B 13 -4.658 9.691 0.949 1.00 0.00 N ATOM 1030 CZ ARG B 13 -5.387 9.882 2.044 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -5.887 8.846 2.702 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -5.626 11.111 2.476 1.00 0.00 N ATOM 0 H ARG B 13 -4.028 7.590 -3.555 1.00 0.00 H new ATOM 0 HA ARG B 13 -1.426 8.037 -2.503 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -3.841 6.488 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -2.377 6.679 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -2.626 9.142 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -4.074 8.968 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.229 7.821 0.197 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -3.766 7.807 1.162 1.00 0.00 H new ATOM 0 HE ARG B 13 -4.316 10.514 0.453 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -5.713 7.898 2.369 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -6.446 8.997 3.542 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -5.251 11.912 1.968 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -6.186 11.256 3.316 1.00 0.00 H new ATOM 1046 N LEU B 14 -2.116 5.033 -3.600 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.528 3.748 -3.964 1.00 0.00 C ATOM 1048 C LEU B 14 -0.358 3.944 -4.920 1.00 0.00 C ATOM 1049 O LEU B 14 0.710 3.357 -4.745 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.587 2.858 -4.615 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.581 2.219 -3.648 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -4.864 1.845 -4.371 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -2.963 0.991 -3.004 1.00 0.00 C ATOM 0 H LEU B 14 -3.080 5.157 -3.911 1.00 0.00 H new ATOM 0 HA LEU B 14 -1.159 3.267 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -3.142 3.452 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -2.083 2.066 -5.169 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.824 2.942 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.560 1.391 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -5.314 2.740 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -4.639 1.135 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.679 0.542 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.700 0.269 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -2.066 1.280 -2.457 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.574 4.776 -5.932 1.00 0.00 N ATOM 1066 CA ASP B 15 0.451 5.064 -6.928 1.00 0.00 C ATOM 1067 C ASP B 15 1.642 5.760 -6.283 1.00 0.00 C ATOM 1068 O ASP B 15 2.792 5.384 -6.512 1.00 0.00 O ATOM 1069 CB ASP B 15 -0.130 5.939 -8.042 1.00 0.00 C ATOM 1070 CG ASP B 15 0.853 6.178 -9.172 1.00 0.00 C ATOM 1071 OD1 ASP B 15 1.976 5.635 -9.111 1.00 0.00 O ATOM 1072 OD2 ASP B 15 0.496 6.907 -10.122 1.00 0.00 O ATOM 0 H ASP B 15 -1.456 5.266 -6.085 1.00 0.00 H new ATOM 0 HA ASP B 15 0.792 4.122 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.027 5.465 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.436 6.898 -7.623 1.00 0.00 H new ATOM 1077 N GLU B 16 1.358 6.773 -5.470 1.00 0.00 N ATOM 1078 CA GLU B 16 2.407 7.516 -4.787 1.00 0.00 C ATOM 1079 C GLU B 16 3.184 6.602 -3.849 1.00 0.00 C ATOM 1080 O GLU B 16 4.411 6.655 -3.796 1.00 0.00 O ATOM 1081 CB GLU B 16 1.815 8.691 -4.007 1.00 0.00 C ATOM 1082 CG GLU B 16 1.141 9.728 -4.891 1.00 0.00 C ATOM 1083 CD GLU B 16 0.589 10.900 -4.102 1.00 0.00 C ATOM 1084 OE1 GLU B 16 1.383 11.588 -3.429 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -0.638 11.128 -4.158 1.00 0.00 O ATOM 0 H GLU B 16 0.412 7.096 -5.270 1.00 0.00 H new ATOM 0 HA GLU B 16 3.091 7.908 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU B 16 1.089 8.311 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.608 9.173 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.858 10.095 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.331 9.255 -5.446 1.00 0.00 H new ATOM 1092 N LEU B 17 2.464 5.754 -3.118 1.00 0.00 N ATOM 1093 CA LEU B 17 3.099 4.822 -2.193 1.00 0.00 C ATOM 1094 C LEU B 17 4.154 3.999 -2.926 1.00 0.00 C ATOM 1095 O LEU B 17 5.258 3.793 -2.422 1.00 0.00 O ATOM 1096 CB LEU B 17 2.067 3.887 -1.564 1.00 0.00 C ATOM 1097 CG LEU B 17 2.617 3.011 -0.437 1.00 0.00 C ATOM 1098 CD1 LEU B 17 3.352 3.862 0.586 1.00 0.00 C ATOM 1099 CD2 LEU B 17 1.499 2.227 0.227 1.00 0.00 C ATOM 0 H LEU B 17 1.446 5.694 -3.149 1.00 0.00 H new ATOM 0 HA LEU B 17 3.572 5.400 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.242 4.484 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.656 3.243 -2.341 1.00 0.00 H new ATOM 0 HG LEU B 17 3.323 2.301 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.737 3.224 1.381 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.181 4.378 0.102 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.666 4.595 1.010 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.912 1.610 1.026 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.767 2.919 0.644 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.015 1.588 -0.511 1.00 0.00 H new ATOM 1111 N GLU B 18 3.801 3.536 -4.126 1.00 0.00 N ATOM 1112 CA GLU B 18 4.712 2.739 -4.941 1.00 0.00 C ATOM 1113 C GLU B 18 5.915 3.576 -5.348 1.00 0.00 C ATOM 1114 O GLU B 18 7.062 3.162 -5.178 1.00 0.00 O ATOM 1115 CB GLU B 18 4.001 2.226 -6.195 1.00 0.00 C ATOM 1116 CG GLU B 18 4.617 0.958 -6.761 1.00 0.00 C ATOM 1117 CD GLU B 18 4.040 0.573 -8.109 1.00 0.00 C ATOM 1118 OE1 GLU B 18 3.192 1.327 -8.632 1.00 0.00 O ATOM 1119 OE2 GLU B 18 4.438 -0.483 -8.644 1.00 0.00 O ATOM 0 H GLU B 18 2.890 3.701 -4.553 1.00 0.00 H new ATOM 0 HA GLU B 18 5.046 1.887 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU B 18 2.954 2.038 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU B 18 4.021 3.003 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.694 1.095 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.462 0.140 -6.058 1.00 0.00 H new ATOM 1126 N LYS B 19 5.636 4.766 -5.871 1.00 0.00 N ATOM 1127 CA LYS B 19 6.682 5.688 -6.290 1.00 0.00 C ATOM 1128 C LYS B 19 7.673 5.898 -5.158 1.00 0.00 C ATOM 1129 O LYS B 19 8.881 5.989 -5.376 1.00 0.00 O ATOM 1130 CB LYS B 19 6.070 7.030 -6.695 1.00 0.00 C ATOM 1131 CG LYS B 19 6.144 7.327 -8.184 1.00 0.00 C ATOM 1132 CD LYS B 19 5.416 6.284 -9.012 1.00 0.00 C ATOM 1133 CE LYS B 19 5.392 6.670 -10.481 1.00 0.00 C ATOM 1134 NZ LYS B 19 6.763 6.831 -11.039 1.00 0.00 N ATOM 0 H LYS B 19 4.688 5.114 -6.015 1.00 0.00 H new ATOM 0 HA LYS B 19 7.202 5.261 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.025 7.048 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS B 19 6.578 7.827 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS B 19 5.713 8.309 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.188 7.370 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.905 5.317 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.396 6.172 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS B 19 4.858 5.907 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS B 19 4.840 7.602 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.708 6.926 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.204 7.682 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.336 5.997 -10.798 1.00 0.00 H new ATOM 1148 N ALA B 20 7.142 5.973 -3.945 1.00 0.00 N ATOM 1149 CA ALA B 20 7.958 6.170 -2.761 1.00 0.00 C ATOM 1150 C ALA B 20 8.843 4.965 -2.495 1.00 0.00 C ATOM 1151 O ALA B 20 10.052 5.107 -2.315 1.00 0.00 O ATOM 1152 CB ALA B 20 7.075 6.448 -1.561 1.00 0.00 C ATOM 0 H ALA B 20 6.142 5.899 -3.758 1.00 0.00 H new ATOM 0 HA ALA B 20 8.606 7.029 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.697 6.594 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.486 7.347 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.406 5.603 -1.398 1.00 0.00 H new ATOM 1158 N LEU B 21 8.242 3.775 -2.469 1.00 0.00 N ATOM 1159 CA LEU B 21 9.005 2.558 -2.219 1.00 0.00 C ATOM 1160 C LEU B 21 10.175 2.468 -3.181 1.00 0.00 C ATOM 1161 O LEU B 21 11.262 2.055 -2.799 1.00 0.00 O ATOM 1162 CB LEU B 21 8.148 1.299 -2.360 1.00 0.00 C ATOM 1163 CG LEU B 21 6.895 1.203 -1.483 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.743 -0.212 -0.961 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.941 2.175 -0.321 1.00 0.00 C ATOM 0 H LEU B 21 7.243 3.631 -2.616 1.00 0.00 H new ATOM 0 HA LEU B 21 9.363 2.613 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.838 1.216 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.778 0.436 -2.145 1.00 0.00 H new ATOM 0 HG LEU B 21 6.037 1.466 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.851 -0.276 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.650 -0.901 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.619 -0.477 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.034 2.073 0.274 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.809 1.958 0.301 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.013 3.194 -0.702 1.00 0.00 H new ATOM 1177 N GLU B 22 9.948 2.864 -4.432 1.00 0.00 N ATOM 1178 CA GLU B 22 11.000 2.832 -5.438 1.00 0.00 C ATOM 1179 C GLU B 22 12.266 3.461 -4.875 1.00 0.00 C ATOM 1180 O GLU B 22 13.378 2.999 -5.133 1.00 0.00 O ATOM 1181 CB GLU B 22 10.559 3.568 -6.705 1.00 0.00 C ATOM 1182 CG GLU B 22 9.321 2.971 -7.357 1.00 0.00 C ATOM 1183 CD GLU B 22 8.932 3.687 -8.635 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.714 4.916 -8.584 1.00 0.00 O ATOM 1185 OE2 GLU B 22 8.838 3.019 -9.685 1.00 0.00 O ATOM 0 H GLU B 22 9.049 3.209 -4.769 1.00 0.00 H new ATOM 0 HA GLU B 22 11.202 1.794 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.362 4.611 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.378 3.559 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.502 1.918 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.489 3.012 -6.654 1.00 0.00 H new ATOM 1192 N ALA B 23 12.079 4.511 -4.082 1.00 0.00 N ATOM 1193 CA ALA B 23 13.188 5.207 -3.449 1.00 0.00 C ATOM 1194 C ALA B 23 13.759 4.380 -2.300 1.00 0.00 C ATOM 1195 O ALA B 23 14.974 4.260 -2.158 1.00 0.00 O ATOM 1196 CB ALA B 23 12.739 6.572 -2.949 1.00 0.00 C ATOM 0 H ALA B 23 11.162 4.899 -3.863 1.00 0.00 H new ATOM 0 HA ALA B 23 13.973 5.349 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.579 7.081 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.379 7.167 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.936 6.447 -2.222 1.00 0.00 H new ATOM 1202 N LEU B 24 12.871 3.815 -1.481 1.00 0.00 N ATOM 1203 CA LEU B 24 13.282 2.997 -0.342 1.00 0.00 C ATOM 1204 C LEU B 24 13.374 1.527 -0.726 1.00 0.00 C ATOM 1205 O LEU B 24 13.432 0.663 0.144 1.00 0.00 O ATOM 1206 CB LEU B 24 12.296 3.142 0.819 1.00 0.00 C ATOM 1207 CG LEU B 24 11.995 4.572 1.250 1.00 0.00 C ATOM 1208 CD1 LEU B 24 10.848 5.130 0.431 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.685 4.630 2.737 1.00 0.00 C ATOM 0 H LEU B 24 11.861 3.910 -1.587 1.00 0.00 H new ATOM 0 HA LEU B 24 14.265 3.351 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.359 2.661 0.539 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.690 2.598 1.677 1.00 0.00 H new ATOM 0 HG LEU B 24 12.877 5.187 1.071 1.00 0.00 H new ATOM 0 HD11 LEU B 24 10.640 6.153 0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.118 5.123 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU B 24 9.960 4.516 0.582 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.473 5.660 3.025 1.00 0.00 H new ATOM 0 HD22 LEU B 24 10.817 4.007 2.952 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.543 4.265 3.302 1.00 0.00 H new ATOM 1221 N SER B 25 13.350 1.251 -2.025 1.00 0.00 N ATOM 1222 CA SER B 25 13.394 -0.120 -2.525 1.00 0.00 C ATOM 1223 C SER B 25 14.528 -0.919 -1.888 1.00 0.00 C ATOM 1224 O SER B 25 15.599 -1.081 -2.475 1.00 0.00 O ATOM 1225 CB SER B 25 13.531 -0.125 -4.046 1.00 0.00 C ATOM 1226 OG SER B 25 14.774 0.420 -4.454 1.00 0.00 O ATOM 0 H SER B 25 13.300 1.962 -2.755 1.00 0.00 H new ATOM 0 HA SER B 25 12.456 -0.602 -2.249 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.440 -1.146 -4.418 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.717 0.450 -4.488 1.00 0.00 H new ATOM 0 HG SER B 25 15.492 0.044 -3.904 1.00 0.00 H new ATOM 1232 N ALA B 26 14.272 -1.418 -0.683 1.00 0.00 N ATOM 1233 CA ALA B 26 15.248 -2.207 0.055 1.00 0.00 C ATOM 1234 C ALA B 26 16.603 -1.504 0.108 1.00 0.00 C ATOM 1235 O ALA B 26 17.652 -2.143 0.022 1.00 0.00 O ATOM 1236 CB ALA B 26 15.382 -3.581 -0.580 1.00 0.00 C ATOM 0 H ALA B 26 13.387 -1.287 -0.194 1.00 0.00 H new ATOM 0 HA ALA B 26 14.897 -2.320 1.081 1.00 0.00 H new ATOM 0 HB1 ALA B 26 16.113 -4.169 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.417 -4.088 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.712 -3.474 -1.613 1.00 0.00 H new ATOM 1242 N GLU B 27 16.571 -0.181 0.247 1.00 0.00 N ATOM 1243 CA GLU B 27 17.790 0.618 0.308 1.00 0.00 C ATOM 1244 C GLU B 27 18.528 0.428 1.630 1.00 0.00 C ATOM 1245 O GLU B 27 19.757 0.465 1.670 1.00 0.00 O ATOM 1246 CB GLU B 27 17.465 2.098 0.104 1.00 0.00 C ATOM 1247 CG GLU B 27 17.011 2.435 -1.306 1.00 0.00 C ATOM 1248 CD GLU B 27 18.105 2.241 -2.339 1.00 0.00 C ATOM 1249 OE1 GLU B 27 18.581 1.097 -2.495 1.00 0.00 O ATOM 1250 OE2 GLU B 27 18.486 3.235 -2.992 1.00 0.00 O ATOM 0 H GLU B 27 15.710 0.361 0.320 1.00 0.00 H new ATOM 0 HA GLU B 27 18.445 0.275 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.685 2.390 0.807 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.348 2.691 0.343 1.00 0.00 H new ATOM 0 HG2 GLU B 27 16.157 1.810 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.670 3.470 -1.335 1.00 0.00 H new ATOM 1257 N ASP B 28 17.777 0.241 2.710 1.00 0.00 N ATOM 1258 CA ASP B 28 18.380 0.067 4.027 1.00 0.00 C ATOM 1259 C ASP B 28 17.503 -0.805 4.924 1.00 0.00 C ATOM 1260 O ASP B 28 17.145 -0.408 6.033 1.00 0.00 O ATOM 1261 CB ASP B 28 18.606 1.433 4.681 1.00 0.00 C ATOM 1262 CG ASP B 28 19.372 1.341 5.987 1.00 0.00 C ATOM 1263 OD1 ASP B 28 19.764 0.218 6.371 1.00 0.00 O ATOM 1264 OD2 ASP B 28 19.585 2.394 6.625 1.00 0.00 O ATOM 0 H ASP B 28 16.758 0.206 2.701 1.00 0.00 H new ATOM 0 HA ASP B 28 19.339 -0.436 3.900 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.151 2.076 3.990 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.642 1.907 4.864 1.00 0.00 H new ATOM 1269 N GLY B 29 17.163 -1.994 4.437 1.00 0.00 N ATOM 1270 CA GLY B 29 16.335 -2.900 5.212 1.00 0.00 C ATOM 1271 C GLY B 29 15.009 -2.275 5.591 1.00 0.00 C ATOM 1272 O GLY B 29 14.616 -2.293 6.759 1.00 0.00 O ATOM 0 H GLY B 29 17.445 -2.346 3.522 1.00 0.00 H new ATOM 0 HA2 GLY B 29 16.156 -3.809 4.637 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.868 -3.195 6.116 1.00 0.00 H new ATOM 1276 N HIS B 30 14.327 -1.714 4.602 1.00 0.00 N ATOM 1277 CA HIS B 30 13.039 -1.066 4.821 1.00 0.00 C ATOM 1278 C HIS B 30 11.922 -2.088 5.029 1.00 0.00 C ATOM 1279 O HIS B 30 10.794 -1.887 4.586 1.00 0.00 O ATOM 1280 CB HIS B 30 12.726 -0.146 3.640 1.00 0.00 C ATOM 1281 CG HIS B 30 13.551 1.102 3.644 1.00 0.00 C ATOM 1282 ND1 HIS B 30 14.426 1.587 2.735 1.00 0.00 N flip ATOM 1283 CD2 HIS B 30 13.541 2.005 4.686 1.00 0.00 C flip ATOM 1284 CE1 HIS B 30 14.926 2.762 3.241 1.00 0.00 C flip ATOM 1285 NE2 HIS B 30 14.376 2.992 4.418 1.00 0.00 N flip ATOM 0 H HIS B 30 14.646 -1.694 3.633 1.00 0.00 H new ATOM 0 HA HIS B 30 13.100 -0.472 5.733 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.897 -0.686 2.709 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.670 0.122 3.664 1.00 0.00 H new ATOM 0 HD1 HIS B 30 14.669 1.160 1.841 1.00 0.00 H new ATOM 0 HD2 HIS B 30 12.943 1.918 5.581 1.00 0.00 H new ATOM 0 HE1 HIS B 30 15.652 3.396 2.754 1.00 0.00 H new ATOM 1294 N ASP B 31 12.242 -3.172 5.727 1.00 0.00 N ATOM 1295 CA ASP B 31 11.270 -4.219 6.017 1.00 0.00 C ATOM 1296 C ASP B 31 9.983 -3.627 6.585 1.00 0.00 C ATOM 1297 O ASP B 31 8.895 -4.164 6.374 1.00 0.00 O ATOM 1298 CB ASP B 31 11.868 -5.225 7.002 1.00 0.00 C ATOM 1299 CG ASP B 31 10.829 -6.153 7.595 1.00 0.00 C ATOM 1300 OD1 ASP B 31 10.200 -6.908 6.828 1.00 0.00 O ATOM 1301 OD2 ASP B 31 10.643 -6.120 8.829 1.00 0.00 O ATOM 0 H ASP B 31 13.173 -3.349 6.104 1.00 0.00 H new ATOM 0 HA ASP B 31 11.026 -4.730 5.086 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.629 -5.817 6.493 1.00 0.00 H new ATOM 0 HB3 ASP B 31 12.368 -4.686 7.806 1.00 0.00 H new ATOM 1306 N ASP B 32 10.118 -2.520 7.309 1.00 0.00 N ATOM 1307 CA ASP B 32 8.970 -1.852 7.911 1.00 0.00 C ATOM 1308 C ASP B 32 7.926 -1.484 6.859 1.00 0.00 C ATOM 1309 O ASP B 32 6.726 -1.536 7.122 1.00 0.00 O ATOM 1310 CB ASP B 32 9.416 -0.604 8.678 1.00 0.00 C ATOM 1311 CG ASP B 32 10.220 0.363 7.828 1.00 0.00 C ATOM 1312 OD1 ASP B 32 10.482 0.046 6.648 1.00 0.00 O ATOM 1313 OD2 ASP B 32 10.594 1.436 8.345 1.00 0.00 O ATOM 0 H ASP B 32 11.013 -2.066 7.493 1.00 0.00 H new ATOM 0 HA ASP B 32 8.510 -2.549 8.611 1.00 0.00 H new ATOM 0 HB2 ASP B 32 8.537 -0.091 9.068 1.00 0.00 H new ATOM 0 HB3 ASP B 32 10.015 -0.908 9.537 1.00 0.00 H new ATOM 1318 N VAL B 33 8.379 -1.114 5.665 1.00 0.00 N ATOM 1319 CA VAL B 33 7.462 -0.751 4.595 1.00 0.00 C ATOM 1320 C VAL B 33 6.634 -1.960 4.178 1.00 0.00 C ATOM 1321 O VAL B 33 5.472 -1.830 3.801 1.00 0.00 O ATOM 1322 CB VAL B 33 8.191 -0.175 3.366 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.191 0.470 2.422 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.246 0.832 3.795 1.00 0.00 C ATOM 0 H VAL B 33 9.367 -1.058 5.417 1.00 0.00 H new ATOM 0 HA VAL B 33 6.809 0.029 4.987 1.00 0.00 H new ATOM 0 HB VAL B 33 8.691 -0.990 2.842 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.716 0.874 1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.468 -0.276 2.092 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.670 1.276 2.939 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.751 1.228 2.914 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.770 1.648 4.338 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.975 0.342 4.441 1.00 0.00 H new ATOM 1334 N GLY B 34 7.249 -3.138 4.254 1.00 0.00 N ATOM 1335 CA GLY B 34 6.566 -4.366 3.889 1.00 0.00 C ATOM 1336 C GLY B 34 5.483 -4.762 4.872 1.00 0.00 C ATOM 1337 O GLY B 34 4.401 -5.182 4.467 1.00 0.00 O ATOM 0 H GLY B 34 8.213 -3.263 4.564 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.124 -4.248 2.900 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.296 -5.173 3.818 1.00 0.00 H new ATOM 1341 N GLN B 35 5.771 -4.641 6.166 1.00 0.00 N ATOM 1342 CA GLN B 35 4.801 -5.005 7.195 1.00 0.00 C ATOM 1343 C GLN B 35 3.554 -4.132 7.096 1.00 0.00 C ATOM 1344 O GLN B 35 2.432 -4.627 7.196 1.00 0.00 O ATOM 1345 CB GLN B 35 5.417 -4.893 8.594 1.00 0.00 C ATOM 1346 CG GLN B 35 5.734 -3.468 9.020 1.00 0.00 C ATOM 1347 CD GLN B 35 6.366 -3.384 10.398 1.00 0.00 C ATOM 1348 OE1 GLN B 35 6.615 -4.533 11.016 1.00 0.00 O flip ATOM 1349 NE2 GLN B 35 6.632 -2.293 10.901 1.00 0.00 N flip ATOM 0 H GLN B 35 6.661 -4.296 6.525 1.00 0.00 H new ATOM 0 HA GLN B 35 4.512 -6.043 7.029 1.00 0.00 H new ATOM 0 HB2 GLN B 35 4.731 -5.333 9.318 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.333 -5.482 8.624 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.407 -3.018 8.290 1.00 0.00 H new ATOM 0 HG3 GLN B 35 4.816 -2.880 9.011 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.425 -1.433 10.393 1.00 0.00 H new ATOM 0 HE22 GLN B 35 7.060 -2.249 11.826 1.00 0.00 H new ATOM 1358 N ARG B 36 3.756 -2.833 6.891 1.00 0.00 N ATOM 1359 CA ARG B 36 2.642 -1.901 6.771 1.00 0.00 C ATOM 1360 C ARG B 36 1.917 -2.104 5.449 1.00 0.00 C ATOM 1361 O ARG B 36 0.690 -2.178 5.410 1.00 0.00 O ATOM 1362 CB ARG B 36 3.134 -0.459 6.889 1.00 0.00 C ATOM 1363 CG ARG B 36 3.774 -0.154 8.233 1.00 0.00 C ATOM 1364 CD ARG B 36 4.151 1.310 8.356 1.00 0.00 C ATOM 1365 NE ARG B 36 4.767 1.610 9.646 1.00 0.00 N ATOM 1366 CZ ARG B 36 4.130 1.521 10.811 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.852 1.168 10.851 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.773 1.791 11.940 1.00 0.00 N ATOM 0 H ARG B 36 4.678 -2.405 6.805 1.00 0.00 H new ATOM 0 HA ARG B 36 1.943 -2.097 7.584 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.856 -0.262 6.097 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.295 0.219 6.731 1.00 0.00 H new ATOM 0 HG2 ARG B 36 3.084 -0.420 9.033 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.664 -0.771 8.361 1.00 0.00 H new ATOM 0 HD2 ARG B 36 4.841 1.575 7.555 1.00 0.00 H new ATOM 0 HD3 ARG B 36 3.261 1.926 8.227 1.00 0.00 H new ATOM 0 HE ARG B 36 5.743 1.905 9.654 1.00 0.00 H new ATOM 0 HH11 ARG B 36 2.352 0.963 9.986 1.00 0.00 H new ATOM 0 HH12 ARG B 36 2.369 1.101 11.747 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.755 2.067 11.914 1.00 0.00 H new ATOM 0 HH22 ARG B 36 4.285 1.723 12.833 1.00 0.00 H new ATOM 1382 N LEU B 37 2.686 -2.209 4.368 1.00 0.00 N ATOM 1383 CA LEU B 37 2.119 -2.422 3.042 1.00 0.00 C ATOM 1384 C LEU B 37 1.265 -3.680 3.053 1.00 0.00 C ATOM 1385 O LEU B 37 0.167 -3.712 2.497 1.00 0.00 O ATOM 1386 CB LEU B 37 3.239 -2.570 2.008 1.00 0.00 C ATOM 1387 CG LEU B 37 2.958 -1.976 0.624 1.00 0.00 C ATOM 1388 CD1 LEU B 37 4.095 -2.325 -0.329 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.624 -2.463 0.072 1.00 0.00 C ATOM 0 H LEU B 37 3.704 -2.150 4.386 1.00 0.00 H new ATOM 0 HA LEU B 37 1.503 -1.564 2.775 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.139 -2.102 2.407 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.458 -3.631 1.888 1.00 0.00 H new ATOM 0 HG LEU B 37 2.896 -0.892 0.722 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.890 -1.900 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU B 37 5.030 -1.917 0.055 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.180 -3.408 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.455 -2.023 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.641 -3.549 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.821 -2.165 0.746 1.00 0.00 H new ATOM 1401 N GLU B 38 1.786 -4.714 3.704 1.00 0.00 N ATOM 1402 CA GLU B 38 1.090 -5.984 3.813 1.00 0.00 C ATOM 1403 C GLU B 38 -0.151 -5.822 4.680 1.00 0.00 C ATOM 1404 O GLU B 38 -1.219 -6.338 4.357 1.00 0.00 O ATOM 1405 CB GLU B 38 2.015 -7.044 4.413 1.00 0.00 C ATOM 1406 CG GLU B 38 1.802 -8.430 3.835 1.00 0.00 C ATOM 1407 CD GLU B 38 2.459 -9.518 4.663 1.00 0.00 C ATOM 1408 OE1 GLU B 38 2.131 -9.628 5.863 1.00 0.00 O ATOM 1409 OE2 GLU B 38 3.295 -10.261 4.112 1.00 0.00 O ATOM 0 H GLU B 38 2.695 -4.693 4.166 1.00 0.00 H new ATOM 0 HA GLU B 38 0.788 -6.307 2.817 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.051 -6.746 4.249 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.861 -7.081 5.491 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.733 -8.629 3.764 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.200 -8.461 2.821 1.00 0.00 H new ATOM 1416 N SER B 39 0.001 -5.085 5.776 1.00 0.00 N ATOM 1417 CA SER B 39 -1.105 -4.831 6.688 1.00 0.00 C ATOM 1418 C SER B 39 -2.249 -4.162 5.942 1.00 0.00 C ATOM 1419 O SER B 39 -3.421 -4.427 6.210 1.00 0.00 O ATOM 1420 CB SER B 39 -0.647 -3.946 7.850 1.00 0.00 C ATOM 1421 OG SER B 39 -1.713 -3.693 8.751 1.00 0.00 O ATOM 0 H SER B 39 0.882 -4.653 6.053 1.00 0.00 H new ATOM 0 HA SER B 39 -1.451 -5.783 7.092 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.173 -4.431 8.379 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.262 -3.002 7.463 1.00 0.00 H new ATOM 0 HG SER B 39 -1.394 -3.127 9.485 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.895 -3.299 4.992 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.883 -2.594 4.190 1.00 0.00 C ATOM 1429 C LEU B 40 -3.841 -3.582 3.540 1.00 0.00 C ATOM 1430 O LEU B 40 -5.055 -3.421 3.611 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.196 -1.772 3.097 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.208 -0.714 3.587 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.467 -0.102 2.409 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -1.924 0.362 4.384 1.00 0.00 C ATOM 0 H LEU B 40 -0.927 -3.073 4.761 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.440 -1.928 4.849 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.668 -2.455 2.432 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -2.964 -1.278 2.502 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.483 -1.196 4.243 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.234 0.650 2.771 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.080 -0.882 1.878 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.182 0.365 1.732 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.202 1.105 4.723 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.672 0.844 3.754 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.413 -0.089 5.247 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.273 -4.599 2.898 1.00 0.00 N ATOM 1447 CA LEU B 41 -4.059 -5.622 2.217 1.00 0.00 C ATOM 1448 C LEU B 41 -4.719 -6.587 3.195 1.00 0.00 C ATOM 1449 O LEU B 41 -5.902 -6.886 3.064 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.184 -6.380 1.223 1.00 0.00 C ATOM 1451 CG LEU B 41 -3.010 -5.677 -0.120 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.880 -6.296 -0.926 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.313 -5.715 -0.902 1.00 0.00 C ATOM 0 H LEU B 41 -2.264 -4.736 2.835 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.860 -5.116 1.678 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.201 -6.538 1.668 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.618 -7.365 1.051 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.745 -4.637 0.072 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.782 -5.772 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.947 -6.213 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.099 -7.348 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.178 -5.211 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.603 -6.751 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.094 -5.210 -0.333 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.967 -7.070 4.176 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.528 -7.991 5.156 1.00 0.00 C ATOM 1467 C ARG B 42 -5.813 -7.415 5.735 1.00 0.00 C ATOM 1468 O ARG B 42 -6.758 -8.145 6.031 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.516 -8.292 6.264 1.00 0.00 C ATOM 1470 CG ARG B 42 -2.347 -9.144 5.793 1.00 0.00 C ATOM 1471 CD ARG B 42 -2.820 -10.498 5.281 1.00 0.00 C ATOM 1472 NE ARG B 42 -1.722 -11.313 4.768 1.00 0.00 N ATOM 1473 CZ ARG B 42 -0.993 -10.990 3.703 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -1.247 -9.872 3.034 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -0.013 -11.787 3.302 1.00 0.00 N ATOM 0 H ARG B 42 -2.982 -6.844 4.314 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.762 -8.931 4.657 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.135 -7.352 6.664 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -4.024 -8.804 7.082 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -1.809 -8.622 5.002 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.645 -9.288 6.614 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.321 -11.034 6.087 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -3.557 -10.348 4.492 1.00 0.00 H new ATOM 0 HE ARG B 42 -1.501 -12.181 5.255 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.003 -9.258 3.336 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -0.686 -9.627 2.218 1.00 0.00 H new ATOM 0 HH21 ARG B 42 0.183 -12.649 3.810 1.00 0.00 H new ATOM 0 HH22 ARG B 42 0.545 -11.538 2.485 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.847 -6.092 5.863 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.023 -5.397 6.368 1.00 0.00 C ATOM 1491 C ARG B 43 -7.969 -5.068 5.214 1.00 0.00 C ATOM 1492 O ARG B 43 -9.190 -5.142 5.349 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.612 -4.113 7.096 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.642 -4.343 8.246 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.230 -5.264 9.303 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.311 -5.471 10.420 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.576 -6.258 11.458 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.725 -6.918 11.518 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.691 -6.386 12.438 1.00 0.00 N ATOM 0 H ARG B 43 -5.069 -5.478 5.622 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.538 -6.047 7.075 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.156 -3.430 6.379 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.506 -3.622 7.480 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.718 -4.774 7.861 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.383 -3.387 8.700 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.163 -4.840 9.675 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.474 -6.225 8.851 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.415 -4.984 10.402 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.408 -6.822 10.766 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.926 -7.521 12.316 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.806 -5.880 12.395 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -4.895 -6.990 13.234 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.380 -4.706 4.076 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.135 -4.359 2.873 1.00 0.00 C ATOM 1515 C TRP B 44 -8.985 -5.537 2.396 1.00 0.00 C ATOM 1516 O TRP B 44 -10.211 -5.451 2.337 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.161 -3.945 1.768 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.817 -3.609 0.466 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.442 -4.047 -0.771 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.946 -2.753 0.263 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.272 -3.526 -1.728 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.202 -2.729 -1.120 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.771 -2.007 1.110 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.238 -1.992 -1.671 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.801 -1.272 0.552 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.024 -1.270 -0.826 1.00 0.00 C ATOM 0 H TRP B 44 -6.368 -4.645 3.962 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.805 -3.532 3.110 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.590 -3.081 2.108 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.449 -4.754 1.605 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.611 -4.709 -0.967 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.207 -3.704 -2.730 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.607 -2.005 2.178 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.416 -1.990 -2.736 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.445 -0.689 1.194 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.836 -0.684 -1.230 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.314 -6.634 2.055 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.981 -7.839 1.575 1.00 0.00 C ATOM 1539 C ASN B 45 -9.933 -8.405 2.625 1.00 0.00 C ATOM 1540 O ASN B 45 -11.043 -8.826 2.301 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.942 -8.896 1.193 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.022 -8.429 0.082 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.728 -8.356 0.375 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.468 -8.136 -1.027 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.298 -6.712 2.103 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.567 -7.570 0.697 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.347 -9.150 2.070 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.453 -9.806 0.879 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.469 -8.207 -1.209 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.836 -7.823 -1.764 1.00 0.00 H new ATOM 1551 N SER B 46 -9.493 -8.420 3.881 1.00 0.00 N ATOM 1552 CA SER B 46 -10.314 -8.941 4.970 1.00 0.00 C ATOM 1553 C SER B 46 -11.674 -8.254 4.993 1.00 0.00 C ATOM 1554 O SER B 46 -12.711 -8.912 5.083 1.00 0.00 O ATOM 1555 CB SER B 46 -9.609 -8.748 6.313 1.00 0.00 C ATOM 1556 OG SER B 46 -10.391 -9.257 7.378 1.00 0.00 O ATOM 0 H SER B 46 -8.576 -8.079 4.169 1.00 0.00 H new ATOM 0 HA SER B 46 -10.464 -10.007 4.802 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.642 -9.251 6.295 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.414 -7.688 6.476 1.00 0.00 H new ATOM 0 HG SER B 46 -9.917 -9.123 8.225 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.662 -6.930 4.902 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.896 -6.153 4.901 1.00 0.00 C ATOM 1564 C ARG B 47 -13.773 -6.539 3.716 1.00 0.00 C ATOM 1565 O ARG B 47 -14.998 -6.592 3.831 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.585 -4.656 4.872 1.00 0.00 C ATOM 1567 CG ARG B 47 -12.029 -4.130 6.186 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.631 -2.666 6.082 1.00 0.00 C ATOM 1569 NE ARG B 47 -11.291 -2.092 7.384 1.00 0.00 N ATOM 1570 CZ ARG B 47 -10.316 -2.545 8.168 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -9.575 -3.577 7.789 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.080 -1.962 9.337 1.00 0.00 N ATOM 0 H ARG B 47 -10.812 -6.371 4.828 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.442 -6.375 5.818 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.867 -4.457 4.076 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.494 -4.108 4.625 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.776 -4.249 6.971 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.162 -4.723 6.478 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.778 -2.570 5.411 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.450 -2.099 5.640 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.836 -1.294 7.711 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.751 -4.029 6.892 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -8.829 -3.919 8.395 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.646 -1.167 9.634 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -9.333 -2.309 9.938 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.140 -6.819 2.579 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.866 -7.213 1.378 1.00 0.00 C ATOM 1588 C ARG B 48 -14.725 -8.441 1.656 1.00 0.00 C ATOM 1589 O ARG B 48 -15.905 -8.482 1.308 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.893 -7.512 0.236 1.00 0.00 C ATOM 1591 CG ARG B 48 -12.043 -6.320 -0.175 1.00 0.00 C ATOM 1592 CD ARG B 48 -11.085 -6.685 -1.297 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.789 -7.179 -2.479 1.00 0.00 N ATOM 1594 CZ ARG B 48 -11.178 -7.586 -3.587 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -9.853 -7.559 -3.667 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -11.890 -8.022 -4.617 1.00 0.00 N ATOM 0 H ARG B 48 -12.127 -6.780 2.466 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.512 -6.386 1.084 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.236 -8.329 0.535 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.458 -7.859 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.689 -5.504 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.479 -5.959 0.685 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.493 -5.811 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.388 -7.446 -0.946 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.808 -7.213 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -9.301 -7.225 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.387 -7.872 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.908 -8.045 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.420 -8.334 -5.467 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.120 -9.439 2.294 1.00 0.00 N ATOM 1611 CA ALA B 49 -14.821 -10.671 2.631 1.00 0.00 C ATOM 1612 C ALA B 49 -15.953 -10.399 3.615 1.00 0.00 C ATOM 1613 O ALA B 49 -17.034 -10.979 3.511 1.00 0.00 O ATOM 1614 CB ALA B 49 -13.850 -11.691 3.208 1.00 0.00 C ATOM 0 H ALA B 49 -13.144 -9.417 2.588 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.255 -11.078 1.718 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.388 -12.606 3.455 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.076 -11.912 2.473 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.390 -11.286 4.109 1.00 0.00 H new