USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= 0.733 K(o=1.9,f=-8.3!) USER MOD Set 1.2: A 108 LYS NZ :NH3+ -153:sc= 1.12 (180deg=-0.412) USER MOD Single : A 1 SER N :NH3+ 174:sc= 1.26 (180deg=1.19) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00989 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.08) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 9 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 15 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.71) USER MOD Single : A 18 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= -0.0356 (180deg=-0.259) USER MOD Single : A 31 SER OG : rot -108:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 44 GLN : amide:sc= -0.498 K(o=-0.5,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 0.138 (180deg=0) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.0115 F(o=-1.1,f=-0.011) USER MOD Single : A 48 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.037) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.344 F(o=-1.1,f=-0.34) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.217 F(o=-2.6!,f=-0.22) USER MOD Single : A 67 GLN : amide:sc= -0.0801 K(o=-0.08,f=-2.9!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 73 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.75) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.19) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 58:sc= 1.18 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 99 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0268 (180deg=-0.248) USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.19) USER MOD Single : A 109 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.363 3.404 15.802 1.00 0.00 N ATOM 2 CA SER A 1 15.450 2.335 16.236 1.00 0.00 C ATOM 3 C SER A 1 14.544 1.888 15.084 1.00 0.00 C ATOM 4 O SER A 1 14.360 2.617 14.116 1.00 0.00 O ATOM 5 CB SER A 1 14.615 2.834 17.405 1.00 0.00 C ATOM 6 OG SER A 1 15.446 3.372 18.415 1.00 0.00 O ATOM 0 H1 SER A 1 16.895 3.760 16.622 1.00 0.00 H new ATOM 0 H2 SER A 1 17.027 3.028 15.095 1.00 0.00 H new ATOM 0 H3 SER A 1 15.813 4.181 15.382 1.00 0.00 H new ATOM 0 HA SER A 1 16.038 1.472 16.550 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.914 3.594 17.060 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.022 2.015 17.812 1.00 0.00 H new ATOM 0 HG SER A 1 14.893 3.690 19.159 1.00 0.00 H new ATOM 14 N GLU A 2 13.975 0.693 15.200 1.00 0.00 N ATOM 15 CA GLU A 2 13.105 0.138 14.157 1.00 0.00 C ATOM 16 C GLU A 2 11.786 0.894 14.064 1.00 0.00 C ATOM 17 O GLU A 2 11.131 0.887 13.020 1.00 0.00 O ATOM 18 CB GLU A 2 12.841 -1.357 14.392 1.00 0.00 C ATOM 19 CG GLU A 2 14.008 -2.269 14.024 1.00 0.00 C ATOM 20 CD GLU A 2 15.273 -1.948 14.786 1.00 0.00 C ATOM 21 OE1 GLU A 2 15.427 -2.437 15.919 1.00 0.00 O ATOM 22 OE2 GLU A 2 16.111 -1.193 14.257 1.00 0.00 O1- ATOM 0 H GLU A 2 14.099 0.084 16.009 1.00 0.00 H new ATOM 0 HA GLU A 2 13.630 0.254 13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.594 -1.509 15.443 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.967 -1.654 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.727 -3.304 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.204 -2.186 12.955 1.00 0.00 H new ATOM 29 N PHE A 3 11.400 1.536 15.157 1.00 0.00 N ATOM 30 CA PHE A 3 10.168 2.317 15.198 1.00 0.00 C ATOM 31 C PHE A 3 10.177 3.390 14.111 1.00 0.00 C ATOM 32 O PHE A 3 9.277 3.446 13.266 1.00 0.00 O ATOM 33 CB PHE A 3 9.998 2.969 16.576 1.00 0.00 C ATOM 34 CG PHE A 3 10.029 1.989 17.714 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.169 1.842 18.487 1.00 0.00 C ATOM 36 CD2 PHE A 3 8.925 1.211 18.006 1.00 0.00 C ATOM 37 CE1 PHE A 3 11.205 0.937 19.528 1.00 0.00 C ATOM 38 CE2 PHE A 3 8.953 0.305 19.046 1.00 0.00 C ATOM 39 CZ PHE A 3 10.095 0.168 19.808 1.00 0.00 C ATOM 0 H PHE A 3 11.924 1.532 16.032 1.00 0.00 H new ATOM 0 HA PHE A 3 9.329 1.645 15.018 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.789 3.705 16.720 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.052 3.509 16.599 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.040 2.443 18.272 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.029 1.314 17.412 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.101 0.831 20.122 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.082 -0.296 19.263 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.120 -0.541 20.623 1.00 0.00 H new ATOM 49 N GLU A 4 11.222 4.207 14.118 1.00 0.00 N ATOM 50 CA GLU A 4 11.367 5.296 13.164 1.00 0.00 C ATOM 51 C GLU A 4 11.603 4.765 11.749 1.00 0.00 C ATOM 52 O GLU A 4 11.188 5.382 10.774 1.00 0.00 O ATOM 53 CB GLU A 4 12.516 6.211 13.584 1.00 0.00 C ATOM 54 CG GLU A 4 13.872 5.533 13.552 1.00 0.00 C ATOM 55 CD GLU A 4 14.964 6.366 14.158 1.00 0.00 C ATOM 56 OE1 GLU A 4 15.261 7.451 13.621 1.00 0.00 O ATOM 57 OE2 GLU A 4 15.552 5.928 15.168 1.00 0.00 O1- ATOM 0 H GLU A 4 11.991 4.133 14.784 1.00 0.00 H new ATOM 0 HA GLU A 4 10.439 5.867 13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.537 7.080 12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.327 6.579 14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.809 4.584 14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.131 5.302 12.519 1.00 0.00 H new ATOM 64 N LYS A 5 12.264 3.608 11.644 1.00 0.00 N ATOM 65 CA LYS A 5 12.540 3.005 10.339 1.00 0.00 C ATOM 66 C LYS A 5 11.244 2.655 9.638 1.00 0.00 C ATOM 67 O LYS A 5 11.086 2.896 8.439 1.00 0.00 O ATOM 68 CB LYS A 5 13.387 1.738 10.488 1.00 0.00 C ATOM 69 CG LYS A 5 14.785 1.964 11.030 1.00 0.00 C ATOM 70 CD LYS A 5 15.516 0.641 11.198 1.00 0.00 C ATOM 71 CE LYS A 5 16.898 0.835 11.792 1.00 0.00 C ATOM 72 NZ LYS A 5 17.524 -0.459 12.154 1.00 0.00 N ATOM 0 H LYS A 5 12.615 3.075 12.440 1.00 0.00 H new ATOM 0 HA LYS A 5 13.093 3.733 9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.865 1.045 11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.464 1.254 9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.343 2.610 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.730 2.479 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.933 -0.018 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.602 0.147 10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.532 1.359 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.828 1.466 12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.532 -0.311 12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.050 -0.851 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.430 -1.124 11.360 1.00 0.00 H new ATOM 86 N LEU A 6 10.306 2.102 10.396 1.00 0.00 N ATOM 87 CA LEU A 6 9.023 1.721 9.847 1.00 0.00 C ATOM 88 C LEU A 6 8.206 2.956 9.509 1.00 0.00 C ATOM 89 O LEU A 6 7.493 2.986 8.513 1.00 0.00 O ATOM 90 CB LEU A 6 8.260 0.822 10.825 1.00 0.00 C ATOM 91 CG LEU A 6 6.915 0.285 10.319 1.00 0.00 C ATOM 92 CD1 LEU A 6 7.101 -0.498 9.036 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.260 -0.587 11.370 1.00 0.00 C ATOM 0 H LEU A 6 10.415 1.910 11.392 1.00 0.00 H new ATOM 0 HA LEU A 6 9.195 1.157 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.895 -0.025 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.085 1.381 11.744 1.00 0.00 H new ATOM 0 HG LEU A 6 6.265 1.136 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.135 -0.870 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.531 0.151 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.771 -1.339 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.307 -0.958 10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.912 -1.429 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.089 -0.002 12.273 1.00 0.00 H new ATOM 105 N ARG A 7 8.332 3.983 10.334 1.00 0.00 N ATOM 106 CA ARG A 7 7.613 5.224 10.113 1.00 0.00 C ATOM 107 C ARG A 7 8.125 5.908 8.846 1.00 0.00 C ATOM 108 O ARG A 7 7.344 6.407 8.037 1.00 0.00 O ATOM 109 CB ARG A 7 7.774 6.157 11.316 1.00 0.00 C ATOM 110 CG ARG A 7 6.786 7.313 11.337 1.00 0.00 C ATOM 111 CD ARG A 7 5.359 6.810 11.507 1.00 0.00 C ATOM 112 NE ARG A 7 4.391 7.898 11.619 1.00 0.00 N ATOM 113 CZ ARG A 7 3.156 7.757 12.121 1.00 0.00 C ATOM 114 NH1 ARG A 7 2.732 6.564 12.536 1.00 0.00 N ATOM 115 NH2 ARG A 7 2.346 8.805 12.198 1.00 0.00 N ATOM 0 H ARG A 7 8.926 3.980 11.163 1.00 0.00 H new ATOM 0 HA ARG A 7 6.554 4.996 9.990 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.658 5.577 12.231 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.787 6.558 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.035 7.993 12.151 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.867 7.882 10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.096 6.180 10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.302 6.184 12.398 1.00 0.00 H new ATOM 0 HE ARG A 7 4.672 8.823 11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.348 5.753 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.792 6.461 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.663 9.719 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.407 8.696 12.580 1.00 0.00 H new ATOM 129 N GLN A 8 9.443 5.908 8.680 1.00 0.00 N ATOM 130 CA GLN A 8 10.077 6.518 7.517 1.00 0.00 C ATOM 131 C GLN A 8 9.704 5.774 6.241 1.00 0.00 C ATOM 132 O GLN A 8 9.330 6.386 5.243 1.00 0.00 O ATOM 133 CB GLN A 8 11.598 6.512 7.692 1.00 0.00 C ATOM 134 CG GLN A 8 12.364 7.112 6.522 1.00 0.00 C ATOM 135 CD GLN A 8 13.864 6.956 6.669 1.00 0.00 C ATOM 136 OE1 GLN A 8 14.395 6.918 7.783 1.00 0.00 O ATOM 137 NE2 GLN A 8 14.557 6.862 5.556 1.00 0.00 N ATOM 0 H GLN A 8 10.097 5.489 9.341 1.00 0.00 H new ATOM 0 HA GLN A 8 9.723 7.545 7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.850 7.064 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.931 5.485 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.041 6.634 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.119 8.171 6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.081 6.898 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.570 6.753 5.594 1.00 0.00 H new ATOM 146 N THR A 9 9.779 4.453 6.293 1.00 0.00 N ATOM 147 CA THR A 9 9.472 3.625 5.140 1.00 0.00 C ATOM 148 C THR A 9 7.976 3.672 4.826 1.00 0.00 C ATOM 149 O THR A 9 7.571 3.664 3.660 1.00 0.00 O ATOM 150 CB THR A 9 9.919 2.171 5.374 1.00 0.00 C ATOM 151 OG1 THR A 9 11.295 2.158 5.796 1.00 0.00 O ATOM 152 CG2 THR A 9 9.777 1.352 4.100 1.00 0.00 C ATOM 0 H THR A 9 10.051 3.931 7.126 1.00 0.00 H new ATOM 0 HA THR A 9 10.021 4.021 4.286 1.00 0.00 H new ATOM 0 HB THR A 9 9.286 1.731 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.347 2.381 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.098 0.328 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.735 1.352 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.396 1.788 3.316 1.00 0.00 H new ATOM 160 N GLY A 10 7.162 3.731 5.874 1.00 0.00 N ATOM 161 CA GLY A 10 5.731 3.840 5.701 1.00 0.00 C ATOM 162 C GLY A 10 5.363 5.116 4.993 1.00 0.00 C ATOM 163 O GLY A 10 4.478 5.133 4.137 1.00 0.00 O ATOM 0 H GLY A 10 7.473 3.705 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.365 2.986 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.241 3.807 6.674 1.00 0.00 H new ATOM 167 N ASP A 11 6.052 6.190 5.350 1.00 0.00 N ATOM 168 CA ASP A 11 5.837 7.483 4.725 1.00 0.00 C ATOM 169 C ASP A 11 6.199 7.418 3.248 1.00 0.00 C ATOM 170 O ASP A 11 5.489 7.963 2.405 1.00 0.00 O ATOM 171 CB ASP A 11 6.664 8.559 5.425 1.00 0.00 C ATOM 172 CG ASP A 11 6.381 9.950 4.904 1.00 0.00 C ATOM 173 OD1 ASP A 11 5.440 10.600 5.409 1.00 0.00 O ATOM 174 OD2 ASP A 11 7.102 10.414 4.006 1.00 0.00 O1- ATOM 0 H ASP A 11 6.770 6.189 6.075 1.00 0.00 H new ATOM 0 HA ASP A 11 4.782 7.743 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.459 8.529 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.723 8.337 5.297 1.00 0.00 H new ATOM 179 N GLU A 12 7.302 6.724 2.938 1.00 0.00 N ATOM 180 CA GLU A 12 7.735 6.542 1.551 1.00 0.00 C ATOM 181 C GLU A 12 6.663 5.804 0.768 1.00 0.00 C ATOM 182 O GLU A 12 6.335 6.169 -0.359 1.00 0.00 O ATOM 183 CB GLU A 12 9.037 5.736 1.476 1.00 0.00 C ATOM 184 CG GLU A 12 10.209 6.345 2.219 1.00 0.00 C ATOM 185 CD GLU A 12 11.501 5.597 1.956 1.00 0.00 C ATOM 186 OE1 GLU A 12 12.286 6.050 1.097 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.743 4.554 2.598 1.00 0.00 O1- ATOM 0 H GLU A 12 7.908 6.281 3.629 1.00 0.00 H new ATOM 0 HA GLU A 12 7.905 7.531 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.853 4.738 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.313 5.616 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.326 7.386 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.000 6.343 3.289 1.00 0.00 H new ATOM 194 N LEU A 13 6.117 4.767 1.388 1.00 0.00 N ATOM 195 CA LEU A 13 5.085 3.950 0.773 1.00 0.00 C ATOM 196 C LEU A 13 3.854 4.793 0.448 1.00 0.00 C ATOM 197 O LEU A 13 3.336 4.749 -0.669 1.00 0.00 O ATOM 198 CB LEU A 13 4.702 2.802 1.716 1.00 0.00 C ATOM 199 CG LEU A 13 3.709 1.782 1.160 1.00 0.00 C ATOM 200 CD1 LEU A 13 4.323 1.021 -0.001 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.261 0.824 2.253 1.00 0.00 C ATOM 0 H LEU A 13 6.377 4.471 2.329 1.00 0.00 H new ATOM 0 HA LEU A 13 5.475 3.537 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.612 2.275 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.282 3.230 2.626 1.00 0.00 H new ATOM 0 HG LEU A 13 2.833 2.317 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.602 0.299 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.593 1.720 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.216 0.496 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.554 0.105 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.127 0.294 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.780 1.385 3.054 1.00 0.00 H new ATOM 213 N VAL A 14 3.408 5.578 1.418 1.00 0.00 N ATOM 214 CA VAL A 14 2.248 6.438 1.235 1.00 0.00 C ATOM 215 C VAL A 14 2.522 7.504 0.178 1.00 0.00 C ATOM 216 O VAL A 14 1.679 7.768 -0.682 1.00 0.00 O ATOM 217 CB VAL A 14 1.828 7.117 2.561 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.677 8.089 2.338 1.00 0.00 C ATOM 219 CG2 VAL A 14 1.443 6.071 3.592 1.00 0.00 C ATOM 0 H VAL A 14 3.834 5.637 2.343 1.00 0.00 H new ATOM 0 HA VAL A 14 1.429 5.803 0.898 1.00 0.00 H new ATOM 0 HB VAL A 14 2.681 7.683 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.402 8.552 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.984 8.861 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.181 7.551 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.150 6.564 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.608 5.480 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.294 5.417 3.782 1.00 0.00 H new ATOM 229 N GLN A 15 3.713 8.089 0.228 1.00 0.00 N ATOM 230 CA GLN A 15 4.111 9.101 -0.684 1.00 0.00 C ATOM 231 C GLN A 15 4.139 8.552 -2.112 1.00 0.00 C ATOM 232 O GLN A 15 3.708 9.222 -3.055 1.00 0.00 O ATOM 233 CB GLN A 15 5.477 9.584 -0.261 1.00 0.00 C ATOM 234 CG GLN A 15 6.066 10.619 -1.142 1.00 0.00 C ATOM 235 CD GLN A 15 5.271 11.912 -1.159 1.00 0.00 C ATOM 236 OE1 GLN A 15 4.608 12.268 -0.177 1.00 0.00 O ATOM 237 NE2 GLN A 15 5.336 12.628 -2.262 1.00 0.00 N ATOM 0 H GLN A 15 4.424 7.855 0.921 1.00 0.00 H new ATOM 0 HA GLN A 15 3.403 9.929 -0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.409 9.983 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.154 8.730 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.084 10.830 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.133 10.228 -2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.894 12.300 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.829 13.510 -2.328 1.00 0.00 H new ATOM 246 N ALA A 16 4.631 7.326 -2.257 1.00 0.00 N ATOM 247 CA ALA A 16 4.680 6.666 -3.550 1.00 0.00 C ATOM 248 C ALA A 16 3.275 6.466 -4.104 1.00 0.00 C ATOM 249 O ALA A 16 3.031 6.680 -5.291 1.00 0.00 O ATOM 250 CB ALA A 16 5.404 5.335 -3.443 1.00 0.00 C ATOM 0 H ALA A 16 5.003 6.769 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 16 5.233 7.304 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.431 4.856 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.423 5.502 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.879 4.691 -2.738 1.00 0.00 H new ATOM 256 N PHE A 17 2.349 6.068 -3.236 1.00 0.00 N ATOM 257 CA PHE A 17 0.963 5.881 -3.639 1.00 0.00 C ATOM 258 C PHE A 17 0.321 7.204 -4.030 1.00 0.00 C ATOM 259 O PHE A 17 -0.442 7.264 -4.987 1.00 0.00 O ATOM 260 CB PHE A 17 0.148 5.197 -2.546 1.00 0.00 C ATOM 261 CG PHE A 17 0.293 3.702 -2.530 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.921 3.061 -1.482 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.210 2.939 -3.569 1.00 0.00 C ATOM 264 CE1 PHE A 17 1.044 1.685 -1.466 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.089 1.564 -3.562 1.00 0.00 C ATOM 266 CZ PHE A 17 0.536 0.937 -2.508 1.00 0.00 C ATOM 0 H PHE A 17 2.535 5.870 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 17 0.968 5.229 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.452 5.593 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.904 5.450 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.321 3.642 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.704 3.426 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.537 1.196 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.484 0.982 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.629 -0.139 -2.497 1.00 0.00 H new ATOM 276 N GLN A 18 0.633 8.264 -3.292 1.00 0.00 N ATOM 277 CA GLN A 18 0.112 9.585 -3.614 1.00 0.00 C ATOM 278 C GLN A 18 0.638 10.034 -4.969 1.00 0.00 C ATOM 279 O GLN A 18 -0.075 10.675 -5.746 1.00 0.00 O ATOM 280 CB GLN A 18 0.474 10.597 -2.528 1.00 0.00 C ATOM 281 CG GLN A 18 -0.108 10.259 -1.163 1.00 0.00 C ATOM 282 CD GLN A 18 -1.605 10.006 -1.211 1.00 0.00 C ATOM 283 OE1 GLN A 18 -2.322 10.580 -2.031 1.00 0.00 O ATOM 284 NE2 GLN A 18 -2.081 9.139 -0.344 1.00 0.00 N ATOM 0 H GLN A 18 1.240 8.234 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.975 9.527 -3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.559 10.657 -2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.122 11.583 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.393 9.376 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.096 11.077 -0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.454 8.684 0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.077 8.921 -0.335 1.00 0.00 H new ATOM 293 N ARG A 19 1.887 9.682 -5.250 1.00 0.00 N ATOM 294 CA ARG A 19 2.489 9.958 -6.542 1.00 0.00 C ATOM 295 C ARG A 19 1.781 9.134 -7.613 1.00 0.00 C ATOM 296 O ARG A 19 1.493 9.627 -8.699 1.00 0.00 O ATOM 297 CB ARG A 19 3.996 9.632 -6.507 1.00 0.00 C ATOM 298 CG ARG A 19 4.709 9.727 -7.858 1.00 0.00 C ATOM 299 CD ARG A 19 4.513 11.086 -8.515 1.00 0.00 C ATOM 300 NE ARG A 19 4.910 12.190 -7.642 1.00 0.00 N ATOM 301 CZ ARG A 19 4.609 13.469 -7.875 1.00 0.00 C ATOM 302 NH1 ARG A 19 3.988 13.813 -8.998 1.00 0.00 N ATOM 303 NH2 ARG A 19 4.956 14.402 -7.001 1.00 0.00 N ATOM 0 H ARG A 19 2.503 9.202 -4.594 1.00 0.00 H new ATOM 0 HA ARG A 19 2.378 11.016 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.483 10.311 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.125 8.623 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.774 9.542 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.334 8.947 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.094 11.128 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.466 11.205 -8.793 1.00 0.00 H new ATOM 0 HE ARG A 19 5.449 11.969 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.741 13.099 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.758 14.791 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.454 14.143 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.726 15.379 -7.180 1.00 0.00 H new ATOM 317 N LEU A 20 1.478 7.886 -7.273 1.00 0.00 N ATOM 318 CA LEU A 20 0.773 6.979 -8.170 1.00 0.00 C ATOM 319 C LEU A 20 -0.603 7.537 -8.515 1.00 0.00 C ATOM 320 O LEU A 20 -1.056 7.427 -9.654 1.00 0.00 O ATOM 321 CB LEU A 20 0.629 5.599 -7.522 1.00 0.00 C ATOM 322 CG LEU A 20 -0.031 4.523 -8.383 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.864 4.147 -9.555 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.364 3.302 -7.543 1.00 0.00 C ATOM 0 H LEU A 20 1.714 7.476 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 20 1.353 6.880 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.620 5.249 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.051 5.708 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.961 4.925 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.375 3.380 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.046 5.028 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.813 3.764 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.833 2.545 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.551 2.898 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.049 3.586 -6.744 1.00 0.00 H new ATOM 336 N ARG A 21 -1.264 8.138 -7.524 1.00 0.00 N ATOM 337 CA ARG A 21 -2.569 8.750 -7.735 1.00 0.00 C ATOM 338 C ARG A 21 -2.477 9.837 -8.794 1.00 0.00 C ATOM 339 O ARG A 21 -3.304 9.907 -9.691 1.00 0.00 O ATOM 340 CB ARG A 21 -3.131 9.329 -6.437 1.00 0.00 C ATOM 341 CG ARG A 21 -3.408 8.288 -5.372 1.00 0.00 C ATOM 342 CD ARG A 21 -4.276 8.851 -4.262 1.00 0.00 C ATOM 343 NE ARG A 21 -5.642 9.125 -4.723 1.00 0.00 N ATOM 344 CZ ARG A 21 -6.736 9.063 -3.946 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.626 8.833 -2.637 1.00 0.00 N ATOM 346 NH2 ARG A 21 -7.938 9.261 -4.479 1.00 0.00 N ATOM 0 H ARG A 21 -0.914 8.212 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.250 7.971 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.427 10.061 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.055 9.863 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.903 7.427 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.466 7.932 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.307 8.145 -3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.829 9.770 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.770 9.380 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.705 8.702 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.462 8.788 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.028 9.459 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.770 9.214 -3.891 1.00 0.00 H new ATOM 360 N GLU A 22 -1.441 10.663 -8.694 1.00 0.00 N ATOM 361 CA GLU A 22 -1.213 11.736 -9.656 1.00 0.00 C ATOM 362 C GLU A 22 -0.917 11.170 -11.038 1.00 0.00 C ATOM 363 O GLU A 22 -1.357 11.712 -12.055 1.00 0.00 O ATOM 364 CB GLU A 22 -0.059 12.622 -9.201 1.00 0.00 C ATOM 365 CG GLU A 22 -0.338 13.373 -7.917 1.00 0.00 C ATOM 366 CD GLU A 22 -1.564 14.244 -8.025 1.00 0.00 C ATOM 367 OE1 GLU A 22 -1.566 15.172 -8.862 1.00 0.00 O ATOM 368 OE2 GLU A 22 -2.530 14.020 -7.267 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.743 10.609 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.121 12.337 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.829 12.005 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.169 13.340 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.470 12.661 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.524 13.990 -7.664 1.00 0.00 H new ATOM 375 N ILE A 23 -0.169 10.080 -11.063 1.00 0.00 N ATOM 376 CA ILE A 23 0.177 9.403 -12.302 1.00 0.00 C ATOM 377 C ILE A 23 -1.083 8.866 -12.979 1.00 0.00 C ATOM 378 O ILE A 23 -1.291 9.053 -14.184 1.00 0.00 O ATOM 379 CB ILE A 23 1.162 8.240 -12.029 1.00 0.00 C ATOM 380 CG1 ILE A 23 2.476 8.786 -11.468 1.00 0.00 C ATOM 381 CG2 ILE A 23 1.416 7.435 -13.289 1.00 0.00 C ATOM 382 CD1 ILE A 23 3.476 7.716 -11.101 1.00 0.00 C ATOM 0 H ILE A 23 0.215 9.640 -10.227 1.00 0.00 H new ATOM 0 HA ILE A 23 0.659 10.123 -12.964 1.00 0.00 H new ATOM 0 HB ILE A 23 0.712 7.575 -11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.925 9.452 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.261 9.387 -10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.111 6.625 -13.069 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.476 7.019 -13.650 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.844 8.082 -14.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.381 8.182 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.048 7.063 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.722 7.129 -11.986 1.00 0.00 H new ATOM 394 N PHE A 24 -1.927 8.224 -12.189 1.00 0.00 N ATOM 395 CA PHE A 24 -3.182 7.677 -12.673 1.00 0.00 C ATOM 396 C PHE A 24 -4.135 8.798 -13.083 1.00 0.00 C ATOM 397 O PHE A 24 -4.845 8.694 -14.084 1.00 0.00 O ATOM 398 CB PHE A 24 -3.825 6.796 -11.595 1.00 0.00 C ATOM 399 CG PHE A 24 -5.172 6.265 -11.979 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.298 5.328 -12.988 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.315 6.708 -11.332 1.00 0.00 C ATOM 402 CE1 PHE A 24 -6.535 4.842 -13.348 1.00 0.00 C ATOM 403 CE2 PHE A 24 -7.557 6.225 -11.687 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.667 5.292 -12.695 1.00 0.00 C ATOM 0 H PHE A 24 -1.761 8.068 -11.195 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.977 7.064 -13.551 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.162 5.958 -11.379 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.920 7.373 -10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.416 4.973 -13.500 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.232 7.439 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.620 4.111 -14.139 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.441 6.577 -11.176 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.638 4.912 -12.975 1.00 0.00 H new ATOM 414 N ASP A 25 -4.129 9.868 -12.307 1.00 0.00 N ATOM 415 CA ASP A 25 -4.985 11.024 -12.558 1.00 0.00 C ATOM 416 C ASP A 25 -4.675 11.669 -13.901 1.00 0.00 C ATOM 417 O ASP A 25 -5.575 12.144 -14.597 1.00 0.00 O ATOM 418 CB ASP A 25 -4.810 12.055 -11.435 1.00 0.00 C ATOM 419 CG ASP A 25 -5.412 13.404 -11.766 1.00 0.00 C ATOM 420 OD1 ASP A 25 -6.654 13.547 -11.673 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.646 14.330 -12.109 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.533 9.964 -11.485 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.018 10.677 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.270 11.672 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.747 12.180 -11.227 1.00 0.00 H new ATOM 426 N LYS A 26 -3.412 11.660 -14.275 1.00 0.00 N ATOM 427 CA LYS A 26 -3.000 12.267 -15.522 1.00 0.00 C ATOM 428 C LYS A 26 -2.938 11.250 -16.661 1.00 0.00 C ATOM 429 O LYS A 26 -2.735 11.615 -17.820 1.00 0.00 O ATOM 430 CB LYS A 26 -1.678 13.008 -15.337 1.00 0.00 C ATOM 431 CG LYS A 26 -1.800 14.159 -14.347 1.00 0.00 C ATOM 432 CD LYS A 26 -0.481 14.863 -14.108 1.00 0.00 C ATOM 433 CE LYS A 26 -0.654 16.017 -13.126 1.00 0.00 C ATOM 434 NZ LYS A 26 -1.135 15.550 -11.794 1.00 0.00 N ATOM 0 H LYS A 26 -2.656 11.240 -13.735 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.756 12.997 -15.811 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.917 12.310 -14.988 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.341 13.392 -16.300 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.529 14.878 -14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.182 13.779 -13.399 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.249 14.154 -13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.088 15.239 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.297 16.537 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.362 16.738 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.015 16.311 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.141 15.295 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.585 14.718 -11.498 1.00 0.00 H new ATOM 448 N GLY A 27 -3.122 9.977 -16.330 1.00 0.00 N ATOM 449 CA GLY A 27 -3.169 8.941 -17.349 1.00 0.00 C ATOM 450 C GLY A 27 -1.806 8.532 -17.874 1.00 0.00 C ATOM 451 O GLY A 27 -1.682 8.125 -19.030 1.00 0.00 O ATOM 0 H GLY A 27 -3.240 9.642 -15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.667 8.063 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.778 9.292 -18.182 1.00 0.00 H new ATOM 455 N ASP A 28 -0.784 8.651 -17.051 1.00 0.00 N ATOM 456 CA ASP A 28 0.562 8.287 -17.475 1.00 0.00 C ATOM 457 C ASP A 28 0.808 6.793 -17.251 1.00 0.00 C ATOM 458 O ASP A 28 1.194 6.366 -16.169 1.00 0.00 O ATOM 459 CB ASP A 28 1.610 9.126 -16.760 1.00 0.00 C ATOM 460 CG ASP A 28 2.944 9.057 -17.452 1.00 0.00 C ATOM 461 OD1 ASP A 28 3.822 8.320 -16.987 1.00 0.00 O ATOM 462 OD2 ASP A 28 3.110 9.741 -18.482 1.00 0.00 O1- ATOM 0 H ASP A 28 -0.853 8.993 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 28 0.649 8.492 -18.542 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.277 10.163 -16.714 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.715 8.779 -15.732 1.00 0.00 H new ATOM 467 N ASP A 29 0.560 6.015 -18.284 1.00 0.00 N ATOM 468 CA ASP A 29 0.630 4.554 -18.210 1.00 0.00 C ATOM 469 C ASP A 29 2.050 3.997 -18.023 1.00 0.00 C ATOM 470 O ASP A 29 2.258 3.093 -17.203 1.00 0.00 O ATOM 471 CB ASP A 29 -0.004 3.941 -19.460 1.00 0.00 C ATOM 472 CG ASP A 29 0.229 2.448 -19.563 1.00 0.00 C ATOM 473 OD1 ASP A 29 1.116 2.034 -20.340 1.00 0.00 O ATOM 474 OD2 ASP A 29 -0.468 1.683 -18.877 1.00 0.00 O1- ATOM 0 H ASP A 29 0.303 6.370 -19.205 1.00 0.00 H new ATOM 0 HA ASP A 29 0.076 4.273 -17.315 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.076 4.137 -19.452 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.403 4.430 -20.345 1.00 0.00 H new ATOM 479 N ASP A 30 3.022 4.531 -18.763 1.00 0.00 N ATOM 480 CA ASP A 30 4.386 3.960 -18.758 1.00 0.00 C ATOM 481 C ASP A 30 5.033 3.968 -17.369 1.00 0.00 C ATOM 482 O ASP A 30 5.605 2.960 -16.945 1.00 0.00 O ATOM 483 CB ASP A 30 5.308 4.632 -19.806 1.00 0.00 C ATOM 484 CG ASP A 30 5.834 5.994 -19.394 1.00 0.00 C ATOM 485 OD1 ASP A 30 5.142 6.999 -19.630 1.00 0.00 O ATOM 486 OD2 ASP A 30 6.960 6.064 -18.849 1.00 0.00 O1- ATOM 0 H ASP A 30 2.903 5.344 -19.367 1.00 0.00 H new ATOM 0 HA ASP A 30 4.266 2.915 -19.045 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.154 3.974 -20.004 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.759 4.736 -20.742 1.00 0.00 H new ATOM 491 N SER A 31 4.946 5.085 -16.664 1.00 0.00 N ATOM 492 CA SER A 31 5.527 5.182 -15.334 1.00 0.00 C ATOM 493 C SER A 31 4.719 4.385 -14.312 1.00 0.00 C ATOM 494 O SER A 31 5.275 3.833 -13.369 1.00 0.00 O ATOM 495 CB SER A 31 5.668 6.641 -14.891 1.00 0.00 C ATOM 496 OG SER A 31 4.407 7.268 -14.765 1.00 0.00 O ATOM 0 H SER A 31 4.481 5.933 -16.988 1.00 0.00 H new ATOM 0 HA SER A 31 6.525 4.747 -15.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.194 6.684 -13.937 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.275 7.185 -15.614 1.00 0.00 H new ATOM 0 HG SER A 31 4.288 7.913 -15.494 1.00 0.00 H new ATOM 502 N LEU A 32 3.412 4.293 -14.539 1.00 0.00 N ATOM 503 CA LEU A 32 2.492 3.673 -13.585 1.00 0.00 C ATOM 504 C LEU A 32 2.879 2.212 -13.301 1.00 0.00 C ATOM 505 O LEU A 32 2.942 1.804 -12.140 1.00 0.00 O ATOM 506 CB LEU A 32 1.053 3.769 -14.135 1.00 0.00 C ATOM 507 CG LEU A 32 -0.098 3.623 -13.124 1.00 0.00 C ATOM 508 CD1 LEU A 32 -1.394 4.141 -13.726 1.00 0.00 C ATOM 509 CD2 LEU A 32 -0.273 2.176 -12.699 1.00 0.00 C ATOM 0 H LEU A 32 2.961 4.643 -15.384 1.00 0.00 H new ATOM 0 HA LEU A 32 2.552 4.207 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.945 4.733 -14.633 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.931 3.001 -14.899 1.00 0.00 H new ATOM 0 HG LEU A 32 0.153 4.213 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.201 4.032 -13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.279 5.193 -13.986 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.633 3.569 -14.623 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.093 2.103 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.498 1.565 -13.573 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.646 1.820 -12.234 1.00 0.00 H new ATOM 521 N GLU A 33 3.169 1.443 -14.345 1.00 0.00 N ATOM 522 CA GLU A 33 3.575 0.045 -14.161 1.00 0.00 C ATOM 523 C GLU A 33 4.893 -0.050 -13.395 1.00 0.00 C ATOM 524 O GLU A 33 5.061 -0.913 -12.528 1.00 0.00 O ATOM 525 CB GLU A 33 3.690 -0.676 -15.507 1.00 0.00 C ATOM 526 CG GLU A 33 2.367 -1.209 -16.041 1.00 0.00 C ATOM 527 CD GLU A 33 1.864 -2.420 -15.266 1.00 0.00 C ATOM 528 OE1 GLU A 33 2.089 -3.559 -15.725 1.00 0.00 O ATOM 529 OE2 GLU A 33 1.235 -2.238 -14.201 1.00 0.00 O1- ATOM 0 H GLU A 33 3.133 1.753 -15.316 1.00 0.00 H new ATOM 0 HA GLU A 33 2.801 -0.446 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.115 0.010 -16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.389 -1.506 -15.404 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.618 -0.419 -15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.486 -1.478 -17.090 1.00 0.00 H new ATOM 536 N GLN A 34 5.817 0.851 -13.704 1.00 0.00 N ATOM 537 CA GLN A 34 7.119 0.868 -13.046 1.00 0.00 C ATOM 538 C GLN A 34 6.985 1.256 -11.582 1.00 0.00 C ATOM 539 O GLN A 34 7.597 0.638 -10.712 1.00 0.00 O ATOM 540 CB GLN A 34 8.077 1.816 -13.764 1.00 0.00 C ATOM 541 CG GLN A 34 8.411 1.378 -15.176 1.00 0.00 C ATOM 542 CD GLN A 34 9.385 2.303 -15.870 1.00 0.00 C ATOM 543 OE1 GLN A 34 9.415 3.507 -15.611 1.00 0.00 O ATOM 544 NE2 GLN A 34 10.185 1.750 -16.756 1.00 0.00 N ATOM 0 H GLN A 34 5.690 1.580 -14.406 1.00 0.00 H new ATOM 0 HA GLN A 34 7.531 -0.140 -13.095 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.635 2.812 -13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.999 1.894 -13.188 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.831 0.373 -15.148 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.492 1.323 -15.760 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.127 0.748 -16.940 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.863 2.323 -17.258 1.00 0.00 H new ATOM 553 N VAL A 35 6.176 2.271 -11.316 1.00 0.00 N ATOM 554 CA VAL A 35 5.954 2.730 -9.955 1.00 0.00 C ATOM 555 C VAL A 35 5.309 1.635 -9.113 1.00 0.00 C ATOM 556 O VAL A 35 5.642 1.474 -7.949 1.00 0.00 O ATOM 557 CB VAL A 35 5.093 4.023 -9.916 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.764 4.422 -8.483 1.00 0.00 C ATOM 559 CG2 VAL A 35 5.825 5.155 -10.618 1.00 0.00 C ATOM 0 H VAL A 35 5.662 2.792 -12.027 1.00 0.00 H new ATOM 0 HA VAL A 35 6.929 2.969 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 35 4.155 3.823 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.161 5.330 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.207 3.619 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.688 4.603 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.215 6.058 -10.586 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.774 5.341 -10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.011 4.879 -11.656 1.00 0.00 H new ATOM 569 N LEU A 36 4.414 0.857 -9.720 1.00 0.00 N ATOM 570 CA LEU A 36 3.772 -0.251 -9.011 1.00 0.00 C ATOM 571 C LEU A 36 4.816 -1.256 -8.545 1.00 0.00 C ATOM 572 O LEU A 36 4.754 -1.758 -7.421 1.00 0.00 O ATOM 573 CB LEU A 36 2.745 -0.951 -9.906 1.00 0.00 C ATOM 574 CG LEU A 36 1.472 -0.164 -10.210 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.605 -0.925 -11.196 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.697 0.114 -8.931 1.00 0.00 C ATOM 0 H LEU A 36 4.119 0.970 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 36 3.255 0.159 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.227 -1.202 -10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.462 -1.892 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 36 1.755 0.790 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.299 -0.352 -11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.158 -1.079 -12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.333 -1.891 -10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.207 0.676 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.424 -0.830 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.317 0.696 -8.249 1.00 0.00 H new ATOM 588 N GLU A 37 5.783 -1.529 -9.405 1.00 0.00 N ATOM 589 CA GLU A 37 6.847 -2.458 -9.081 1.00 0.00 C ATOM 590 C GLU A 37 7.763 -1.869 -8.005 1.00 0.00 C ATOM 591 O GLU A 37 8.232 -2.579 -7.113 1.00 0.00 O ATOM 592 CB GLU A 37 7.644 -2.805 -10.333 1.00 0.00 C ATOM 593 CG GLU A 37 8.648 -3.916 -10.124 1.00 0.00 C ATOM 594 CD GLU A 37 9.389 -4.268 -11.384 1.00 0.00 C ATOM 595 OE1 GLU A 37 10.506 -3.746 -11.587 1.00 0.00 O ATOM 596 OE2 GLU A 37 8.860 -5.069 -12.187 1.00 0.00 O1- ATOM 0 H GLU A 37 5.851 -1.117 -10.336 1.00 0.00 H new ATOM 0 HA GLU A 37 6.403 -3.373 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.953 -3.095 -11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.168 -1.914 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.363 -3.616 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.133 -4.801 -9.750 1.00 0.00 H new ATOM 603 N GLU A 38 8.009 -0.566 -8.092 1.00 0.00 N ATOM 604 CA GLU A 38 8.826 0.117 -7.101 1.00 0.00 C ATOM 605 C GLU A 38 8.119 0.150 -5.756 1.00 0.00 C ATOM 606 O GLU A 38 8.748 -0.016 -4.709 1.00 0.00 O ATOM 607 CB GLU A 38 9.177 1.530 -7.563 1.00 0.00 C ATOM 608 CG GLU A 38 10.114 1.561 -8.755 1.00 0.00 C ATOM 609 CD GLU A 38 11.345 0.702 -8.540 1.00 0.00 C ATOM 610 OE1 GLU A 38 12.184 1.057 -7.680 1.00 0.00 O ATOM 611 OE2 GLU A 38 11.481 -0.331 -9.230 1.00 0.00 O1- ATOM 0 H GLU A 38 7.655 0.035 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 38 9.756 -0.440 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.259 2.059 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.636 2.071 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.582 1.215 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.420 2.589 -8.948 1.00 0.00 H new ATOM 618 N ILE A 39 6.808 0.360 -5.794 1.00 0.00 N ATOM 619 CA ILE A 39 5.989 0.343 -4.594 1.00 0.00 C ATOM 620 C ILE A 39 6.056 -1.030 -3.942 1.00 0.00 C ATOM 621 O ILE A 39 6.106 -1.145 -2.723 1.00 0.00 O ATOM 622 CB ILE A 39 4.512 0.708 -4.903 1.00 0.00 C ATOM 623 CG1 ILE A 39 4.395 2.189 -5.282 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.615 0.391 -3.716 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.994 2.614 -5.674 1.00 0.00 C ATOM 0 H ILE A 39 6.289 0.545 -6.652 1.00 0.00 H new ATOM 0 HA ILE A 39 6.383 1.095 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 39 4.182 0.105 -5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.726 2.797 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.072 2.396 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.585 0.656 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.673 -0.674 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.943 0.964 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.993 3.674 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.666 2.034 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.314 2.440 -4.840 1.00 0.00 H new ATOM 637 N GLU A 40 6.088 -2.064 -4.771 1.00 0.00 N ATOM 638 CA GLU A 40 6.177 -3.438 -4.297 1.00 0.00 C ATOM 639 C GLU A 40 7.441 -3.618 -3.449 1.00 0.00 C ATOM 640 O GLU A 40 7.406 -4.230 -2.378 1.00 0.00 O ATOM 641 CB GLU A 40 6.199 -4.386 -5.496 1.00 0.00 C ATOM 642 CG GLU A 40 6.222 -5.855 -5.138 1.00 0.00 C ATOM 643 CD GLU A 40 6.334 -6.730 -6.361 1.00 0.00 C ATOM 644 OE1 GLU A 40 7.464 -7.104 -6.725 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.292 -7.044 -6.971 1.00 0.00 O1- ATOM 0 H GLU A 40 6.053 -1.975 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 40 5.310 -3.667 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.322 -4.190 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.075 -4.160 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.062 -6.053 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.314 -6.110 -4.591 1.00 0.00 H new ATOM 652 N GLU A 41 8.543 -3.053 -3.925 1.00 0.00 N ATOM 653 CA GLU A 41 9.805 -3.089 -3.206 1.00 0.00 C ATOM 654 C GLU A 41 9.694 -2.329 -1.883 1.00 0.00 C ATOM 655 O GLU A 41 10.268 -2.738 -0.866 1.00 0.00 O ATOM 656 CB GLU A 41 10.908 -2.490 -4.066 1.00 0.00 C ATOM 657 CG GLU A 41 11.346 -3.382 -5.212 1.00 0.00 C ATOM 658 CD GLU A 41 12.113 -4.598 -4.735 1.00 0.00 C ATOM 659 OE1 GLU A 41 13.340 -4.490 -4.540 1.00 0.00 O ATOM 660 OE2 GLU A 41 11.498 -5.670 -4.558 1.00 0.00 O1- ATOM 0 H GLU A 41 8.585 -2.559 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 41 10.050 -4.128 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.564 -1.538 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.771 -2.275 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.469 -3.706 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.969 -2.808 -5.898 1.00 0.00 H new ATOM 667 N LEU A 42 8.949 -1.227 -1.904 1.00 0.00 N ATOM 668 CA LEU A 42 8.724 -0.428 -0.704 1.00 0.00 C ATOM 669 C LEU A 42 7.875 -1.201 0.295 1.00 0.00 C ATOM 670 O LEU A 42 8.127 -1.160 1.497 1.00 0.00 O ATOM 671 CB LEU A 42 8.053 0.904 -1.052 1.00 0.00 C ATOM 672 CG LEU A 42 8.840 1.821 -1.990 1.00 0.00 C ATOM 673 CD1 LEU A 42 8.062 3.095 -2.263 1.00 0.00 C ATOM 674 CD2 LEU A 42 10.210 2.145 -1.405 1.00 0.00 C ATOM 0 H LEU A 42 8.490 -0.867 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 42 9.692 -0.214 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.085 0.694 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.858 1.444 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 42 8.989 1.298 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.636 3.736 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.108 2.846 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.882 3.619 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.752 2.798 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.086 2.647 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.772 1.222 -1.262 1.00 0.00 H new ATOM 686 N ILE A 43 6.868 -1.910 -0.216 1.00 0.00 N ATOM 687 CA ILE A 43 6.010 -2.745 0.619 1.00 0.00 C ATOM 688 C ILE A 43 6.851 -3.811 1.305 1.00 0.00 C ATOM 689 O ILE A 43 6.637 -4.133 2.475 1.00 0.00 O ATOM 690 CB ILE A 43 4.893 -3.441 -0.215 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.976 -2.399 -0.864 1.00 0.00 C ATOM 692 CG2 ILE A 43 4.080 -4.396 0.658 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.932 -2.992 -1.790 1.00 0.00 C ATOM 0 H ILE A 43 6.628 -1.921 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 43 5.534 -2.099 1.356 1.00 0.00 H new ATOM 0 HB ILE A 43 5.371 -4.021 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.473 -1.833 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.586 -1.692 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.306 -4.871 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.738 -5.161 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.615 -3.839 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.322 -2.192 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.426 -3.533 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.296 -3.677 -1.230 1.00 0.00 H new ATOM 705 N GLN A 44 7.821 -4.335 0.570 1.00 0.00 N ATOM 706 CA GLN A 44 8.723 -5.340 1.086 1.00 0.00 C ATOM 707 C GLN A 44 9.525 -4.765 2.256 1.00 0.00 C ATOM 708 O GLN A 44 9.645 -5.403 3.307 1.00 0.00 O ATOM 709 CB GLN A 44 9.656 -5.817 -0.035 1.00 0.00 C ATOM 710 CG GLN A 44 10.331 -7.153 0.224 1.00 0.00 C ATOM 711 CD GLN A 44 11.466 -7.084 1.229 1.00 0.00 C ATOM 712 OE1 GLN A 44 12.158 -6.068 1.346 1.00 0.00 O ATOM 713 NE2 GLN A 44 11.665 -8.162 1.960 1.00 0.00 N ATOM 0 H GLN A 44 8.000 -4.072 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 44 8.152 -6.194 1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.083 -5.888 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.426 -5.062 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.585 -7.863 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.716 -7.543 -0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.071 -8.981 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.413 -8.177 2.653 1.00 0.00 H new ATOM 722 N LYS A 45 10.055 -3.550 2.072 1.00 0.00 N ATOM 723 CA LYS A 45 10.807 -2.870 3.131 1.00 0.00 C ATOM 724 C LYS A 45 9.908 -2.624 4.328 1.00 0.00 C ATOM 725 O LYS A 45 10.286 -2.872 5.474 1.00 0.00 O ATOM 726 CB LYS A 45 11.324 -1.512 2.649 1.00 0.00 C ATOM 727 CG LYS A 45 12.318 -1.551 1.504 1.00 0.00 C ATOM 728 CD LYS A 45 12.700 -0.131 1.070 1.00 0.00 C ATOM 729 CE LYS A 45 13.331 0.658 2.219 1.00 0.00 C ATOM 730 NZ LYS A 45 13.591 2.079 1.861 1.00 0.00 N ATOM 0 H LYS A 45 9.977 -3.020 1.204 1.00 0.00 H new ATOM 0 HA LYS A 45 11.647 -3.510 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.470 -0.907 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.790 -1.002 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.211 -2.096 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.888 -2.091 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.399 -0.181 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.813 0.392 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.672 0.620 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.268 0.183 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.499 2.380 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.629 2.175 0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.827 2.677 2.236 1.00 0.00 H new ATOM 744 N HIS A 46 8.710 -2.142 4.037 1.00 0.00 N ATOM 745 CA HIS A 46 7.734 -1.809 5.054 1.00 0.00 C ATOM 746 C HIS A 46 7.370 -3.043 5.874 1.00 0.00 C ATOM 747 O HIS A 46 7.381 -3.005 7.099 1.00 0.00 O ATOM 748 CB HIS A 46 6.484 -1.204 4.400 1.00 0.00 C ATOM 749 CG HIS A 46 5.511 -0.617 5.370 1.00 0.00 C ATOM 750 ND1 HIS A 46 5.603 0.504 6.121 1.00 0.00 N flip ATOM 751 CD2 HIS A 46 4.283 -1.164 5.658 1.00 0.00 C flip ATOM 752 CE1 HIS A 46 4.442 0.653 6.869 1.00 0.00 C flip ATOM 753 NE2 HIS A 46 3.683 -0.374 6.554 1.00 0.00 N flip ATOM 0 H HIS A 46 8.389 -1.971 3.084 1.00 0.00 H new ATOM 0 HA HIS A 46 8.168 -1.072 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.793 -0.429 3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.980 -1.977 3.820 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.400 1.140 6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.876 -2.071 5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.211 1.447 7.564 1.00 0.00 H new ATOM 761 N ARG A 47 7.068 -4.141 5.194 1.00 0.00 N ATOM 762 CA ARG A 47 6.714 -5.375 5.880 1.00 0.00 C ATOM 763 C ARG A 47 7.884 -5.948 6.655 1.00 0.00 C ATOM 764 O ARG A 47 7.699 -6.508 7.722 1.00 0.00 O ATOM 765 CB ARG A 47 6.165 -6.422 4.923 1.00 0.00 C ATOM 766 CG ARG A 47 4.693 -6.257 4.607 1.00 0.00 C ATOM 767 CD ARG A 47 4.055 -7.604 4.326 1.00 0.00 C ATOM 768 NE ARG A 47 4.240 -8.530 5.453 1.00 0.00 N ATOM 769 CZ ARG A 47 3.643 -9.714 5.567 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.789 -10.133 4.635 1.00 0.00 N ATOM 771 NH2 ARG A 47 3.897 -10.474 6.623 1.00 0.00 N ATOM 0 H ARG A 47 7.061 -4.202 4.176 1.00 0.00 H new ATOM 0 HA ARG A 47 5.928 -5.112 6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.732 -6.382 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.325 -7.411 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.187 -5.776 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.572 -5.603 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.990 -7.471 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.491 -8.034 3.424 1.00 0.00 H new ATOM 0 HE ARG A 47 4.871 -8.244 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.588 -9.545 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.336 -11.042 4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.546 -10.150 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.444 -11.383 6.718 1.00 0.00 H new ATOM 785 N GLN A 48 9.088 -5.784 6.130 1.00 0.00 N ATOM 786 CA GLN A 48 10.271 -6.310 6.787 1.00 0.00 C ATOM 787 C GLN A 48 10.421 -5.668 8.158 1.00 0.00 C ATOM 788 O GLN A 48 10.675 -6.347 9.155 1.00 0.00 O ATOM 789 CB GLN A 48 11.506 -6.012 5.932 1.00 0.00 C ATOM 790 CG GLN A 48 12.799 -6.591 6.473 1.00 0.00 C ATOM 791 CD GLN A 48 12.814 -8.104 6.453 1.00 0.00 C ATOM 792 OE1 GLN A 48 12.410 -8.757 7.413 1.00 0.00 O ATOM 793 NE2 GLN A 48 13.285 -8.672 5.361 1.00 0.00 N ATOM 0 H GLN A 48 9.270 -5.293 5.255 1.00 0.00 H new ATOM 0 HA GLN A 48 10.172 -7.389 6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.340 -6.402 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.617 -4.932 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.635 -6.216 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.948 -6.244 7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.611 -8.095 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.324 -9.689 5.291 1.00 0.00 H new ATOM 802 N LEU A 49 10.237 -4.364 8.198 1.00 0.00 N ATOM 803 CA LEU A 49 10.317 -3.613 9.432 1.00 0.00 C ATOM 804 C LEU A 49 9.087 -3.856 10.311 1.00 0.00 C ATOM 805 O LEU A 49 9.195 -3.937 11.536 1.00 0.00 O ATOM 806 CB LEU A 49 10.484 -2.130 9.120 1.00 0.00 C ATOM 807 CG LEU A 49 11.763 -1.768 8.361 1.00 0.00 C ATOM 808 CD1 LEU A 49 11.725 -0.325 7.909 1.00 0.00 C ATOM 809 CD2 LEU A 49 12.993 -2.027 9.222 1.00 0.00 C ATOM 0 H LEU A 49 10.028 -3.797 7.377 1.00 0.00 H new ATOM 0 HA LEU A 49 11.186 -3.955 9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.626 -1.799 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.465 -1.573 10.057 1.00 0.00 H new ATOM 0 HG LEU A 49 11.825 -2.403 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.643 -0.088 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.870 -0.172 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.635 0.326 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.891 -1.763 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.938 -1.422 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.032 -3.082 9.493 1.00 0.00 H new ATOM 821 N PHE A 50 7.922 -3.979 9.678 1.00 0.00 N ATOM 822 CA PHE A 50 6.664 -4.218 10.394 1.00 0.00 C ATOM 823 C PHE A 50 6.680 -5.573 11.094 1.00 0.00 C ATOM 824 O PHE A 50 6.378 -5.668 12.286 1.00 0.00 O ATOM 825 CB PHE A 50 5.478 -4.138 9.418 1.00 0.00 C ATOM 826 CG PHE A 50 4.144 -4.496 10.023 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.447 -3.580 10.793 1.00 0.00 C ATOM 828 CD2 PHE A 50 3.587 -5.749 9.811 1.00 0.00 C ATOM 829 CE1 PHE A 50 2.220 -3.908 11.342 1.00 0.00 C ATOM 830 CE2 PHE A 50 2.363 -6.081 10.358 1.00 0.00 C ATOM 831 CZ PHE A 50 1.679 -5.159 11.125 1.00 0.00 C ATOM 0 H PHE A 50 7.820 -3.917 8.665 1.00 0.00 H new ATOM 0 HA PHE A 50 6.553 -3.446 11.155 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.421 -3.126 9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.671 -4.803 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.865 -2.600 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.117 -6.474 9.211 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.686 -3.185 11.940 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.942 -7.060 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.722 -5.416 11.555 1.00 0.00 H new ATOM 841 N ASP A 51 7.064 -6.607 10.357 1.00 0.00 N ATOM 842 CA ASP A 51 7.129 -7.961 10.899 1.00 0.00 C ATOM 843 C ASP A 51 8.225 -8.064 11.952 1.00 0.00 C ATOM 844 O ASP A 51 8.183 -8.927 12.828 1.00 0.00 O ATOM 845 CB ASP A 51 7.358 -9.002 9.782 1.00 0.00 C ATOM 846 CG ASP A 51 6.118 -9.257 8.920 1.00 0.00 C ATOM 847 OD1 ASP A 51 5.180 -9.923 9.404 1.00 0.00 O ATOM 848 OD2 ASP A 51 6.088 -8.822 7.747 1.00 0.00 O1- ATOM 0 H ASP A 51 7.337 -6.535 9.377 1.00 0.00 H new ATOM 0 HA ASP A 51 6.170 -8.177 11.369 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.172 -8.663 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.677 -9.942 10.232 1.00 0.00 H new ATOM 853 N ASN A 52 9.208 -7.177 11.859 1.00 0.00 N ATOM 854 CA ASN A 52 10.316 -7.156 12.809 1.00 0.00 C ATOM 855 C ASN A 52 9.916 -6.451 14.102 1.00 0.00 C ATOM 856 O ASN A 52 10.346 -6.838 15.183 1.00 0.00 O ATOM 857 CB ASN A 52 11.541 -6.463 12.200 1.00 0.00 C ATOM 858 CG ASN A 52 12.766 -6.532 13.101 1.00 0.00 C ATOM 859 OD1 ASN A 52 12.950 -5.529 13.938 1.00 0.00 O flip ATOM 860 ND2 ASN A 52 13.548 -7.477 13.030 1.00 0.00 N flip ATOM 0 H ASN A 52 9.261 -6.461 11.134 1.00 0.00 H new ATOM 0 HA ASN A 52 10.572 -8.190 13.040 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.775 -6.925 11.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.300 -5.419 12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.373 -8.235 12.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.372 -7.503 13.631 1.00 0.00 H new ATOM 867 N ARG A 53 9.095 -5.412 13.988 1.00 0.00 N ATOM 868 CA ARG A 53 8.665 -4.661 15.166 1.00 0.00 C ATOM 869 C ARG A 53 7.746 -5.482 16.049 1.00 0.00 C ATOM 870 O ARG A 53 7.844 -5.423 17.271 1.00 0.00 O ATOM 871 CB ARG A 53 7.976 -3.352 14.778 1.00 0.00 C ATOM 872 CG ARG A 53 8.932 -2.204 14.509 1.00 0.00 C ATOM 873 CD ARG A 53 8.180 -0.902 14.285 1.00 0.00 C ATOM 874 NE ARG A 53 7.288 -0.575 15.407 1.00 0.00 N ATOM 875 CZ ARG A 53 6.646 0.592 15.557 1.00 0.00 C ATOM 876 NH1 ARG A 53 6.800 1.565 14.659 1.00 0.00 N ATOM 877 NH2 ARG A 53 5.855 0.782 16.609 1.00 0.00 N ATOM 0 H ARG A 53 8.717 -5.072 13.104 1.00 0.00 H new ATOM 0 HA ARG A 53 9.567 -4.425 15.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.371 -3.523 13.888 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.293 -3.063 15.577 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.615 -2.092 15.351 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.540 -2.431 13.633 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.895 -0.091 14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.595 -0.975 13.368 1.00 0.00 H new ATOM 0 HE ARG A 53 7.148 -1.288 16.123 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.409 1.423 13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.309 2.451 14.778 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.738 0.041 17.300 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.365 1.669 16.725 1.00 0.00 H new ATOM 891 N GLN A 54 6.865 -6.249 15.437 1.00 0.00 N ATOM 892 CA GLN A 54 5.952 -7.084 16.186 1.00 0.00 C ATOM 893 C GLN A 54 5.436 -8.213 15.321 1.00 0.00 C ATOM 894 O GLN A 54 5.225 -8.043 14.115 1.00 0.00 O ATOM 895 CB GLN A 54 4.792 -6.248 16.780 1.00 0.00 C ATOM 896 CG GLN A 54 3.839 -5.626 15.757 1.00 0.00 C ATOM 897 CD GLN A 54 2.647 -6.519 15.442 1.00 0.00 C ATOM 898 OE1 GLN A 54 2.205 -7.306 16.280 1.00 0.00 O ATOM 899 NE2 GLN A 54 2.114 -6.391 14.245 1.00 0.00 N ATOM 0 H GLN A 54 6.764 -6.310 14.424 1.00 0.00 H new ATOM 0 HA GLN A 54 6.496 -7.524 17.022 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.214 -6.885 17.449 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.217 -5.449 17.388 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.480 -4.669 16.136 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.386 -5.419 14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.510 -5.728 13.579 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.305 -6.955 13.984 1.00 0.00 H new ATOM 908 N GLU A 55 5.260 -9.363 15.923 1.00 0.00 N ATOM 909 CA GLU A 55 4.776 -10.510 15.208 1.00 0.00 C ATOM 910 C GLU A 55 3.276 -10.631 15.362 1.00 0.00 C ATOM 911 O GLU A 55 2.752 -10.631 16.480 1.00 0.00 O ATOM 912 CB GLU A 55 5.451 -11.777 15.710 1.00 0.00 C ATOM 913 CG GLU A 55 5.120 -13.003 14.885 1.00 0.00 C ATOM 914 CD GLU A 55 5.723 -14.259 15.448 1.00 0.00 C ATOM 915 OE1 GLU A 55 5.045 -14.936 16.248 1.00 0.00 O ATOM 916 OE2 GLU A 55 6.881 -14.580 15.092 1.00 0.00 O1- ATOM 0 H GLU A 55 5.447 -9.527 16.912 1.00 0.00 H new ATOM 0 HA GLU A 55 5.015 -10.380 14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.531 -11.629 15.710 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.154 -11.953 16.744 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.037 -13.117 14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.478 -12.858 13.866 1.00 0.00 H new ATOM 923 N ALA A 56 2.589 -10.723 14.249 1.00 0.00 N ATOM 924 CA ALA A 56 1.161 -10.880 14.254 1.00 0.00 C ATOM 925 C ALA A 56 0.812 -12.355 14.240 1.00 0.00 C ATOM 926 O ALA A 56 1.631 -13.191 13.840 1.00 0.00 O ATOM 927 CB ALA A 56 0.547 -10.173 13.055 1.00 0.00 C ATOM 0 H ALA A 56 3.006 -10.691 13.319 1.00 0.00 H new ATOM 0 HA ALA A 56 0.754 -10.429 15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.535 -10.301 13.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.788 -9.111 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.948 -10.600 12.136 1.00 0.00 H new ATOM 933 N ALA A 57 -0.379 -12.680 14.692 1.00 0.00 N ATOM 934 CA ALA A 57 -0.828 -14.053 14.692 1.00 0.00 C ATOM 935 C ALA A 57 -1.128 -14.509 13.272 1.00 0.00 C ATOM 936 O ALA A 57 -1.236 -13.686 12.361 1.00 0.00 O ATOM 937 CB ALA A 57 -2.046 -14.215 15.582 1.00 0.00 C ATOM 0 H ALA A 57 -1.054 -12.011 15.064 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.032 -14.681 15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.370 -15.256 15.569 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.792 -13.926 16.602 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.852 -13.580 15.215 1.00 0.00 H new ATOM 943 N ASP A 58 -1.286 -15.808 13.092 1.00 0.00 N ATOM 944 CA ASP A 58 -1.535 -16.381 11.768 1.00 0.00 C ATOM 945 C ASP A 58 -2.818 -15.830 11.163 1.00 0.00 C ATOM 946 O ASP A 58 -2.857 -15.490 9.984 1.00 0.00 O ATOM 947 CB ASP A 58 -1.611 -17.916 11.842 1.00 0.00 C ATOM 948 CG ASP A 58 -2.726 -18.409 12.750 1.00 0.00 C ATOM 949 OD1 ASP A 58 -3.858 -18.602 12.265 1.00 0.00 O ATOM 950 OD2 ASP A 58 -2.472 -18.590 13.961 1.00 0.00 O1- ATOM 0 H ASP A 58 -1.247 -16.494 13.846 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.700 -16.099 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.762 -18.316 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.658 -18.305 12.201 1.00 0.00 H new ATOM 955 N THR A 59 -3.847 -15.721 11.978 1.00 0.00 N ATOM 956 CA THR A 59 -5.127 -15.230 11.525 1.00 0.00 C ATOM 957 C THR A 59 -5.045 -13.739 11.204 1.00 0.00 C ATOM 958 O THR A 59 -5.565 -13.281 10.194 1.00 0.00 O ATOM 959 CB THR A 59 -6.191 -15.456 12.604 1.00 0.00 C ATOM 960 OG1 THR A 59 -5.894 -16.671 13.316 1.00 0.00 O ATOM 961 CG2 THR A 59 -7.577 -15.559 11.983 1.00 0.00 C ATOM 0 H THR A 59 -3.818 -15.969 12.967 1.00 0.00 H new ATOM 0 HA THR A 59 -5.402 -15.776 10.622 1.00 0.00 H new ATOM 0 HB THR A 59 -6.180 -14.608 13.289 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.572 -16.818 14.008 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.316 -15.719 12.768 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.807 -14.636 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.602 -16.396 11.285 1.00 0.00 H new ATOM 969 N GLU A 60 -4.360 -13.001 12.063 1.00 0.00 N ATOM 970 CA GLU A 60 -4.216 -11.558 11.908 1.00 0.00 C ATOM 971 C GLU A 60 -3.385 -11.211 10.678 1.00 0.00 C ATOM 972 O GLU A 60 -3.764 -10.350 9.885 1.00 0.00 O ATOM 973 CB GLU A 60 -3.570 -10.956 13.166 1.00 0.00 C ATOM 974 CG GLU A 60 -4.524 -10.764 14.343 1.00 0.00 C ATOM 975 CD GLU A 60 -5.390 -11.975 14.621 1.00 0.00 C ATOM 976 OE1 GLU A 60 -4.886 -12.961 15.196 1.00 0.00 O ATOM 977 OE2 GLU A 60 -6.586 -11.937 14.275 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.889 -13.381 12.884 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.211 -11.133 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.750 -11.602 13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.134 -9.991 12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.945 -10.529 15.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.166 -9.906 14.144 1.00 0.00 H new ATOM 984 N ALA A 61 -2.271 -11.903 10.509 1.00 0.00 N ATOM 985 CA ALA A 61 -1.376 -11.649 9.393 1.00 0.00 C ATOM 986 C ALA A 61 -2.034 -11.998 8.068 1.00 0.00 C ATOM 987 O ALA A 61 -1.952 -11.237 7.108 1.00 0.00 O ATOM 988 CB ALA A 61 -0.079 -12.427 9.561 1.00 0.00 C ATOM 0 H ALA A 61 -1.964 -12.649 11.134 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.147 -10.583 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.579 -12.224 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.412 -12.121 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.298 -13.494 9.603 1.00 0.00 H new ATOM 994 N ALA A 62 -2.706 -13.138 8.030 1.00 0.00 N ATOM 995 CA ALA A 62 -3.346 -13.601 6.810 1.00 0.00 C ATOM 996 C ALA A 62 -4.551 -12.749 6.442 1.00 0.00 C ATOM 997 O ALA A 62 -4.724 -12.386 5.285 1.00 0.00 O ATOM 998 CB ALA A 62 -3.755 -15.055 6.948 1.00 0.00 C ATOM 0 H ALA A 62 -2.822 -13.759 8.831 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.618 -13.507 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.233 -15.388 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.872 -15.665 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.454 -15.159 7.777 1.00 0.00 H new ATOM 1004 N LYS A 63 -5.368 -12.411 7.430 1.00 0.00 N ATOM 1005 CA LYS A 63 -6.580 -11.636 7.183 1.00 0.00 C ATOM 1006 C LYS A 63 -6.248 -10.235 6.670 1.00 0.00 C ATOM 1007 O LYS A 63 -6.857 -9.755 5.712 1.00 0.00 O ATOM 1008 CB LYS A 63 -7.423 -11.557 8.460 1.00 0.00 C ATOM 1009 CG LYS A 63 -8.765 -10.864 8.291 1.00 0.00 C ATOM 1010 CD LYS A 63 -9.563 -10.902 9.583 1.00 0.00 C ATOM 1011 CE LYS A 63 -10.896 -10.185 9.442 1.00 0.00 C ATOM 1012 NZ LYS A 63 -11.676 -10.218 10.706 1.00 0.00 N ATOM 0 H LYS A 63 -5.216 -12.659 8.408 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.157 -12.143 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.595 -12.568 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.851 -11.031 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.608 -9.829 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.331 -11.348 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.736 -11.938 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.984 -10.440 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.723 -9.150 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.476 -10.649 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.578 -9.719 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.863 -11.206 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.133 -9.752 11.461 1.00 0.00 H new ATOM 1026 N GLN A 64 -5.271 -9.589 7.292 1.00 0.00 N ATOM 1027 CA GLN A 64 -4.871 -8.250 6.879 1.00 0.00 C ATOM 1028 C GLN A 64 -4.049 -8.297 5.598 1.00 0.00 C ATOM 1029 O GLN A 64 -4.213 -7.459 4.708 1.00 0.00 O ATOM 1030 CB GLN A 64 -4.086 -7.547 7.989 1.00 0.00 C ATOM 1031 CG GLN A 64 -4.847 -7.440 9.303 1.00 0.00 C ATOM 1032 CD GLN A 64 -6.199 -6.775 9.145 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -6.236 -5.470 9.297 1.00 0.00 O flip ATOM 1034 NE2 GLN A 64 -7.205 -7.437 8.894 1.00 0.00 N flip ATOM 0 H GLN A 64 -4.744 -9.967 8.079 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.778 -7.678 6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.155 -8.087 8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.816 -6.546 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.984 -8.437 9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.250 -6.874 10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.135 -8.449 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.109 -6.974 8.797 1.00 0.00 H new ATOM 1043 N GLY A 65 -3.174 -9.289 5.508 1.00 0.00 N ATOM 1044 CA GLY A 65 -2.318 -9.430 4.350 1.00 0.00 C ATOM 1045 C GLY A 65 -3.093 -9.732 3.088 1.00 0.00 C ATOM 1046 O GLY A 65 -2.847 -9.126 2.047 1.00 0.00 O ATOM 0 H GLY A 65 -3.042 -10.004 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.747 -8.512 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.598 -10.229 4.530 1.00 0.00 H new ATOM 1050 N ASP A 66 -4.049 -10.650 3.186 1.00 0.00 N ATOM 1051 CA ASP A 66 -4.857 -11.052 2.034 1.00 0.00 C ATOM 1052 C ASP A 66 -5.636 -9.867 1.491 1.00 0.00 C ATOM 1053 O ASP A 66 -5.741 -9.681 0.280 1.00 0.00 O ATOM 1054 CB ASP A 66 -5.820 -12.177 2.425 1.00 0.00 C ATOM 1055 CG ASP A 66 -6.544 -12.782 1.240 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -6.009 -13.737 0.637 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -7.663 -12.332 0.923 1.00 0.00 O1- ATOM 0 H ASP A 66 -4.286 -11.132 4.053 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.187 -11.416 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.264 -12.960 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.554 -11.789 3.131 1.00 0.00 H new ATOM 1062 N GLN A 67 -6.154 -9.048 2.398 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.917 -7.868 2.022 1.00 0.00 C ATOM 1064 C GLN A 67 -6.029 -6.864 1.285 1.00 0.00 C ATOM 1065 O GLN A 67 -6.429 -6.291 0.269 1.00 0.00 O ATOM 1066 CB GLN A 67 -7.523 -7.215 3.268 1.00 0.00 C ATOM 1067 CG GLN A 67 -8.342 -5.968 2.976 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.863 -5.301 4.233 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.240 -5.368 5.298 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -10.005 -4.657 4.123 1.00 0.00 N ATOM 0 H GLN A 67 -6.058 -9.182 3.405 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.721 -8.176 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.156 -7.943 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.719 -6.956 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.729 -5.258 2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.183 -6.233 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.488 -4.625 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.407 -4.189 4.935 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.816 -6.675 1.788 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.879 -5.742 1.197 1.00 0.00 C ATOM 1081 C TRP A 68 -3.421 -6.220 -0.182 1.00 0.00 C ATOM 1082 O TRP A 68 -3.429 -5.452 -1.151 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.684 -5.544 2.129 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.573 -4.755 1.523 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.358 -5.231 1.148 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -1.576 -3.358 1.211 1.00 0.00 C ATOM 1087 NE1 TRP A 68 0.406 -4.216 0.627 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -0.321 -3.054 0.655 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -2.518 -2.334 1.351 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 0.018 -1.771 0.238 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -2.180 -1.061 0.937 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -0.923 -0.790 0.386 1.00 0.00 C ATOM 0 H TRP A 68 -4.460 -7.162 2.611 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.382 -4.784 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.021 -5.042 3.036 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.303 -6.520 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.039 -6.258 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 68 1.359 -4.311 0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.491 -2.535 1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.988 -1.558 -0.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.898 -0.261 1.040 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.691 0.216 0.071 1.00 0.00 H new ATOM 1103 N VAL A 69 -3.037 -7.491 -0.269 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.594 -8.071 -1.531 1.00 0.00 C ATOM 1105 C VAL A 69 -3.718 -8.014 -2.566 1.00 0.00 C ATOM 1106 O VAL A 69 -3.479 -7.723 -3.741 1.00 0.00 O ATOM 1107 CB VAL A 69 -2.108 -9.536 -1.354 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.668 -10.128 -2.685 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.969 -9.604 -0.349 1.00 0.00 C ATOM 0 H VAL A 69 -3.024 -8.138 0.520 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.749 -7.480 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.945 -10.123 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.332 -11.154 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.506 -10.119 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.850 -9.535 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.642 -10.638 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.136 -8.996 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.311 -9.227 0.615 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.946 -8.260 -2.112 1.00 0.00 N ATOM 1120 CA GLN A 70 -6.106 -8.227 -2.990 1.00 0.00 C ATOM 1121 C GLN A 70 -6.286 -6.837 -3.587 1.00 0.00 C ATOM 1122 O GLN A 70 -6.511 -6.696 -4.785 1.00 0.00 O ATOM 1123 CB GLN A 70 -7.370 -8.628 -2.220 1.00 0.00 C ATOM 1124 CG GLN A 70 -8.641 -8.597 -3.057 1.00 0.00 C ATOM 1125 CD GLN A 70 -9.887 -8.909 -2.248 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -9.842 -9.654 -1.269 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -11.010 -8.350 -2.658 1.00 0.00 N ATOM 0 H GLN A 70 -5.159 -8.484 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.941 -8.939 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.236 -9.633 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.492 -7.959 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.746 -7.612 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.552 -9.317 -3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.007 -7.738 -3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.881 -8.530 -2.159 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.157 -5.815 -2.751 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.317 -4.437 -3.199 1.00 0.00 C ATOM 1138 C LEU A 71 -5.280 -4.073 -4.252 1.00 0.00 C ATOM 1139 O LEU A 71 -5.612 -3.480 -5.278 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.223 -3.467 -2.014 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.370 -3.533 -1.003 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.094 -2.615 0.176 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -8.688 -3.160 -1.666 1.00 0.00 C ATOM 0 H LEU A 71 -5.942 -5.914 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.306 -4.351 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.288 -3.658 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.167 -2.451 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.445 -4.556 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.920 -2.675 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.171 -2.922 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.993 -1.589 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.492 -3.212 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.623 -2.146 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.895 -3.854 -2.481 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.034 -4.449 -4.008 1.00 0.00 N ATOM 1156 CA PHE A 72 -2.951 -4.137 -4.930 1.00 0.00 C ATOM 1157 C PHE A 72 -3.141 -4.860 -6.266 1.00 0.00 C ATOM 1158 O PHE A 72 -3.009 -4.254 -7.337 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.597 -4.507 -4.310 1.00 0.00 C ATOM 1160 CG PHE A 72 -0.410 -4.013 -5.097 1.00 0.00 C ATOM 1161 CD1 PHE A 72 0.079 -2.730 -4.902 1.00 0.00 C ATOM 1162 CD2 PHE A 72 0.215 -4.829 -6.028 1.00 0.00 C ATOM 1163 CE1 PHE A 72 1.168 -2.272 -5.620 1.00 0.00 C ATOM 1164 CE2 PHE A 72 1.303 -4.375 -6.749 1.00 0.00 C ATOM 1165 CZ PHE A 72 1.780 -3.095 -6.544 1.00 0.00 C ATOM 0 H PHE A 72 -3.747 -4.971 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.968 -3.064 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.547 -4.099 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.534 -5.591 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.396 -2.081 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.153 -5.831 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.540 -1.271 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.780 -5.020 -7.472 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.631 -2.739 -7.106 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.466 -6.148 -6.200 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.656 -6.951 -7.404 1.00 0.00 C ATOM 1177 C GLN A 73 -4.848 -6.468 -8.214 1.00 0.00 C ATOM 1178 O GLN A 73 -4.750 -6.289 -9.424 1.00 0.00 O ATOM 1179 CB GLN A 73 -3.856 -8.426 -7.047 1.00 0.00 C ATOM 1180 CG GLN A 73 -2.638 -9.091 -6.436 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.890 -10.542 -6.071 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -4.009 -10.927 -5.729 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -1.856 -11.352 -6.138 1.00 0.00 N ATOM 0 H GLN A 73 -3.603 -6.657 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.755 -6.841 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.689 -8.509 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.139 -8.971 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.807 -9.036 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.338 -8.542 -5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.945 -10.994 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.965 -12.338 -5.902 1.00 0.00 H new ATOM 1192 N ARG A 74 -5.962 -6.230 -7.538 1.00 0.00 N ATOM 1193 CA ARG A 74 -7.190 -5.829 -8.212 1.00 0.00 C ATOM 1194 C ARG A 74 -7.089 -4.437 -8.809 1.00 0.00 C ATOM 1195 O ARG A 74 -7.594 -4.196 -9.899 1.00 0.00 O ATOM 1196 CB ARG A 74 -8.390 -5.916 -7.270 1.00 0.00 C ATOM 1197 CG ARG A 74 -8.692 -7.324 -6.780 1.00 0.00 C ATOM 1198 CD ARG A 74 -8.988 -8.272 -7.930 1.00 0.00 C ATOM 1199 NE ARG A 74 -9.378 -9.599 -7.455 1.00 0.00 N ATOM 1200 CZ ARG A 74 -9.321 -10.711 -8.190 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -8.902 -10.661 -9.452 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -9.695 -11.871 -7.666 1.00 0.00 N ATOM 0 H ARG A 74 -6.042 -6.307 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.339 -6.530 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.210 -5.273 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.269 -5.524 -7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.843 -7.700 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.545 -7.298 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.786 -7.858 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.107 -8.358 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.717 -9.680 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.623 -9.770 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.860 -11.514 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.026 -11.912 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.652 -12.722 -8.227 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.432 -3.521 -8.104 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.309 -2.156 -8.594 1.00 0.00 C ATOM 1218 C PHE A 75 -5.556 -2.114 -9.915 1.00 0.00 C ATOM 1219 O PHE A 75 -6.021 -1.519 -10.882 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.611 -1.265 -7.558 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.365 0.141 -8.035 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.409 1.044 -8.139 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.088 0.557 -8.383 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.188 2.333 -8.581 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.860 1.845 -8.824 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.911 2.734 -8.924 1.00 0.00 C ATOM 0 H PHE A 75 -5.983 -3.697 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.316 -1.773 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.218 -1.231 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.658 -1.718 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.409 0.736 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.262 -0.135 -8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.012 3.027 -8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.861 2.157 -9.090 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.735 3.742 -9.270 1.00 0.00 H new ATOM 1236 N ARG A 76 -4.407 -2.766 -9.962 1.00 0.00 N ATOM 1237 CA ARG A 76 -3.622 -2.797 -11.180 1.00 0.00 C ATOM 1238 C ARG A 76 -4.327 -3.612 -12.275 1.00 0.00 C ATOM 1239 O ARG A 76 -4.260 -3.275 -13.458 1.00 0.00 O ATOM 1240 CB ARG A 76 -2.180 -3.270 -10.921 1.00 0.00 C ATOM 1241 CG ARG A 76 -2.010 -4.746 -10.602 1.00 0.00 C ATOM 1242 CD ARG A 76 -0.542 -5.066 -10.312 1.00 0.00 C ATOM 1243 NE ARG A 76 0.351 -4.483 -11.327 1.00 0.00 N ATOM 1244 CZ ARG A 76 1.690 -4.559 -11.316 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.318 -5.242 -10.358 1.00 0.00 N ATOM 1246 NH2 ARG A 76 2.395 -3.948 -12.270 1.00 0.00 N ATOM 0 H ARG A 76 -4.001 -3.276 -9.178 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.542 -1.775 -11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.579 -3.037 -11.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.772 -2.690 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.623 -5.011 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.361 -5.348 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.273 -4.683 -9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.404 -6.147 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.084 -3.981 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.780 -5.710 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.337 -5.296 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.915 -3.426 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.414 -4.003 -12.266 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.011 -4.679 -11.860 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.766 -5.534 -12.777 1.00 0.00 C ATOM 1262 C GLU A 77 -6.885 -4.741 -13.457 1.00 0.00 C ATOM 1263 O GLU A 77 -7.114 -4.873 -14.659 1.00 0.00 O ATOM 1264 CB GLU A 77 -6.356 -6.724 -12.014 1.00 0.00 C ATOM 1265 CG GLU A 77 -7.179 -7.672 -12.868 1.00 0.00 C ATOM 1266 CD GLU A 77 -7.771 -8.807 -12.060 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -8.869 -8.626 -11.478 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -7.150 -9.886 -12.007 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.057 -4.974 -10.885 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.087 -5.902 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.542 -7.284 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.982 -6.347 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.982 -7.117 -13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.552 -8.081 -13.660 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.572 -3.914 -12.677 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.657 -3.090 -13.190 1.00 0.00 C ATOM 1277 C ALA A 78 -8.148 -2.104 -14.237 1.00 0.00 C ATOM 1278 O ALA A 78 -8.847 -1.803 -15.208 1.00 0.00 O ATOM 1279 CB ALA A 78 -9.362 -2.365 -12.056 1.00 0.00 C ATOM 0 H ALA A 78 -7.394 -3.797 -11.680 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.380 -3.746 -13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.169 -1.755 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.773 -3.094 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.650 -1.725 -11.535 1.00 0.00 H new ATOM 1285 N ILE A 79 -6.924 -1.606 -14.038 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.298 -0.686 -14.993 1.00 0.00 C ATOM 1287 C ILE A 79 -6.145 -1.370 -16.350 1.00 0.00 C ATOM 1288 O ILE A 79 -6.351 -0.758 -17.397 1.00 0.00 O ATOM 1289 CB ILE A 79 -4.901 -0.211 -14.500 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.028 0.515 -13.159 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.244 0.699 -15.538 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.704 0.961 -12.573 1.00 0.00 C ATOM 0 H ILE A 79 -6.347 -1.824 -13.225 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.945 0.186 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.269 -1.088 -14.363 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.669 1.387 -13.289 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.526 -0.143 -12.447 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.268 1.020 -15.174 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.121 0.154 -16.474 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.874 1.572 -15.707 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.878 1.467 -11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.067 0.092 -12.409 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.212 1.646 -13.264 1.00 0.00 H new ATOM 1304 N ASP A 80 -5.814 -2.657 -16.312 1.00 0.00 N ATOM 1305 CA ASP A 80 -5.643 -3.463 -17.525 1.00 0.00 C ATOM 1306 C ASP A 80 -6.958 -3.568 -18.293 1.00 0.00 C ATOM 1307 O ASP A 80 -6.973 -3.725 -19.518 1.00 0.00 O ATOM 1308 CB ASP A 80 -5.142 -4.868 -17.153 1.00 0.00 C ATOM 1309 CG ASP A 80 -4.919 -5.766 -18.356 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -3.827 -5.701 -18.953 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.824 -6.567 -18.695 1.00 0.00 O1- ATOM 0 H ASP A 80 -5.656 -3.172 -15.446 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.907 -2.974 -18.164 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.208 -4.778 -16.598 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.865 -5.339 -16.486 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.061 -3.472 -17.568 1.00 0.00 N ATOM 1317 CA LYS A 81 -9.379 -3.573 -18.171 1.00 0.00 C ATOM 1318 C LYS A 81 -9.918 -2.191 -18.512 1.00 0.00 C ATOM 1319 O LYS A 81 -10.891 -2.058 -19.250 1.00 0.00 O ATOM 1320 CB LYS A 81 -10.350 -4.297 -17.227 1.00 0.00 C ATOM 1321 CG LYS A 81 -9.770 -5.553 -16.583 1.00 0.00 C ATOM 1322 CD LYS A 81 -9.144 -6.474 -17.617 1.00 0.00 C ATOM 1323 CE LYS A 81 -8.450 -7.652 -16.960 1.00 0.00 C ATOM 1324 NZ LYS A 81 -7.673 -8.446 -17.939 1.00 0.00 N ATOM 0 H LYS A 81 -8.069 -3.324 -16.559 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.288 -4.151 -19.091 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.658 -3.608 -16.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.247 -4.568 -17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.019 -5.271 -15.845 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.557 -6.086 -16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.914 -6.837 -18.297 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.426 -5.915 -18.217 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.785 -7.291 -16.175 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.192 -8.291 -16.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.255 -9.271 -17.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.302 -8.769 -18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.916 -7.857 -18.341 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.270 -1.168 -17.975 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.692 0.194 -18.215 1.00 0.00 C ATOM 1340 C GLY A 82 -10.985 0.525 -17.504 1.00 0.00 C ATOM 1341 O GLY A 82 -11.701 1.453 -17.894 1.00 0.00 O ATOM 0 H GLY A 82 -8.452 -1.260 -17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.911 0.878 -17.883 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.818 0.350 -19.286 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.293 -0.230 -16.457 1.00 0.00 N ATOM 1346 CA ASP A 83 -12.522 -0.015 -15.715 1.00 0.00 C ATOM 1347 C ASP A 83 -12.321 1.022 -14.630 1.00 0.00 C ATOM 1348 O ASP A 83 -11.927 0.702 -13.507 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.060 -1.318 -15.114 1.00 0.00 C ATOM 1350 CG ASP A 83 -14.408 -1.121 -14.438 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -14.455 -1.061 -13.195 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -15.428 -1.010 -15.153 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.711 -0.991 -16.107 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.265 0.356 -16.421 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.155 -2.067 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.344 -1.705 -14.389 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.577 2.269 -14.978 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.426 3.377 -14.050 1.00 0.00 C ATOM 1359 C LYS A 84 -13.409 3.265 -12.891 1.00 0.00 C ATOM 1360 O LYS A 84 -13.165 3.799 -11.814 1.00 0.00 O ATOM 1361 CB LYS A 84 -12.579 4.725 -14.763 1.00 0.00 C ATOM 1362 CG LYS A 84 -13.907 4.904 -15.486 1.00 0.00 C ATOM 1363 CD LYS A 84 -14.038 6.300 -16.082 1.00 0.00 C ATOM 1364 CE LYS A 84 -14.065 7.367 -14.997 1.00 0.00 C ATOM 1365 NZ LYS A 84 -14.270 8.726 -15.556 1.00 0.00 N ATOM 0 H LYS A 84 -12.894 2.543 -15.908 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.417 3.325 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.466 5.525 -14.031 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.769 4.836 -15.483 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.994 4.160 -16.278 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.727 4.726 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.204 6.488 -16.759 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.950 6.360 -16.676 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.862 7.143 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.128 7.342 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.282 9.421 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.496 8.952 -16.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.176 8.759 -16.065 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.514 2.557 -13.121 1.00 0.00 N ATOM 1380 CA ASP A 85 -15.543 2.381 -12.098 1.00 0.00 C ATOM 1381 C ASP A 85 -14.950 1.740 -10.846 1.00 0.00 C ATOM 1382 O ASP A 85 -15.141 2.235 -9.733 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.679 1.508 -12.645 1.00 0.00 C ATOM 1384 CG ASP A 85 -17.741 1.189 -11.608 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -18.714 1.953 -11.494 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.615 0.158 -10.914 1.00 0.00 O1- ATOM 0 H ASP A 85 -14.719 2.096 -14.007 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.940 3.361 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.145 2.017 -13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.261 0.576 -13.026 1.00 0.00 H new ATOM 1391 N SER A 86 -14.219 0.652 -11.032 1.00 0.00 N ATOM 1392 CA SER A 86 -13.552 -0.002 -9.925 1.00 0.00 C ATOM 1393 C SER A 86 -12.370 0.832 -9.443 1.00 0.00 C ATOM 1394 O SER A 86 -12.147 0.972 -8.248 1.00 0.00 O ATOM 1395 CB SER A 86 -13.074 -1.395 -10.334 1.00 0.00 C ATOM 1396 OG SER A 86 -14.151 -2.182 -10.807 1.00 0.00 O ATOM 0 H SER A 86 -14.075 0.207 -11.938 1.00 0.00 H new ATOM 0 HA SER A 86 -14.268 -0.101 -9.109 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.313 -1.309 -11.110 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.606 -1.888 -9.482 1.00 0.00 H new ATOM 0 HG SER A 86 -14.575 -1.733 -11.568 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.646 1.416 -10.391 1.00 0.00 N ATOM 1403 CA LEU A 87 -10.429 2.176 -10.098 1.00 0.00 C ATOM 1404 C LEU A 87 -10.677 3.352 -9.163 1.00 0.00 C ATOM 1405 O LEU A 87 -9.958 3.523 -8.178 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.792 2.668 -11.395 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.262 1.573 -12.315 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -8.815 2.146 -13.647 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.121 0.848 -11.648 1.00 0.00 C ATOM 0 H LEU A 87 -11.882 1.378 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.749 1.497 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.529 3.255 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.971 3.340 -11.146 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.070 0.867 -12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.442 1.342 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.659 2.632 -14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.022 2.875 -13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.748 0.068 -12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.319 1.553 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.470 0.398 -10.719 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.692 4.148 -9.457 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.990 5.315 -8.642 1.00 0.00 C ATOM 1423 C GLU A 88 -12.363 4.918 -7.218 1.00 0.00 C ATOM 1424 O GLU A 88 -11.959 5.573 -6.257 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.091 6.162 -9.278 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.718 6.704 -10.651 1.00 0.00 C ATOM 1427 CD GLU A 88 -13.642 7.802 -11.115 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -13.319 8.986 -10.885 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -14.692 7.502 -11.707 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.320 4.009 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.085 5.920 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.996 5.561 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.325 6.997 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.696 7.083 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.736 5.890 -11.375 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.116 3.836 -7.089 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.513 3.329 -5.787 1.00 0.00 C ATOM 1438 C GLN A 89 -12.301 2.747 -5.053 1.00 0.00 C ATOM 1439 O GLN A 89 -12.098 2.996 -3.863 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.595 2.264 -5.952 1.00 0.00 C ATOM 1441 CG GLN A 89 -15.204 1.795 -4.645 1.00 0.00 C ATOM 1442 CD GLN A 89 -16.253 0.720 -4.847 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -16.909 0.663 -5.884 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -16.432 -0.129 -3.854 1.00 0.00 N ATOM 0 H GLN A 89 -13.466 3.290 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.915 4.151 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -15.386 2.660 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.169 1.405 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.416 1.412 -3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.653 2.645 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.868 -0.050 -3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.134 -0.864 -3.932 1.00 0.00 H new ATOM 1453 N LEU A 90 -11.493 1.989 -5.786 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.297 1.352 -5.243 1.00 0.00 C ATOM 1455 C LEU A 90 -9.298 2.374 -4.717 1.00 0.00 C ATOM 1456 O LEU A 90 -8.593 2.105 -3.752 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.639 0.429 -6.273 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.433 -0.836 -6.633 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.714 -1.632 -7.705 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.667 -1.696 -5.398 1.00 0.00 C ATOM 0 H LEU A 90 -11.649 1.798 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.619 0.742 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.464 0.999 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.663 0.128 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.402 -0.528 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.293 -2.524 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.602 -1.019 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.729 -1.926 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.231 -2.586 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.708 -1.992 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.230 -1.126 -4.659 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.232 3.540 -5.357 1.00 0.00 N ATOM 1473 CA LEU A 91 -8.315 4.596 -4.925 1.00 0.00 C ATOM 1474 C LEU A 91 -8.580 4.977 -3.474 1.00 0.00 C ATOM 1475 O LEU A 91 -7.649 5.124 -2.683 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.460 5.839 -5.811 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.879 5.739 -7.221 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.259 6.963 -8.036 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.363 5.595 -7.162 1.00 0.00 C ATOM 0 H LEU A 91 -9.798 3.778 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.299 4.211 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.520 6.078 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.984 6.678 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.294 4.855 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.838 6.878 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.345 7.033 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.867 7.858 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.965 5.525 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.934 6.464 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.105 4.693 -6.607 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.846 5.117 -3.126 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.223 5.465 -1.767 1.00 0.00 C ATOM 1493 C GLU A 92 -9.958 4.303 -0.822 1.00 0.00 C ATOM 1494 O GLU A 92 -9.512 4.495 0.310 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.689 5.882 -1.712 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.008 7.060 -2.612 1.00 0.00 C ATOM 1497 CD GLU A 92 -11.090 8.240 -2.365 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -11.258 8.922 -1.341 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -10.198 8.495 -3.203 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.631 4.995 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.613 6.309 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.312 5.035 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.950 6.137 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.925 6.751 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.041 7.367 -2.452 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.218 3.094 -1.303 1.00 0.00 N ATOM 1507 CA GLU A 93 -9.975 1.885 -0.525 1.00 0.00 C ATOM 1508 C GLU A 93 -8.495 1.763 -0.198 1.00 0.00 C ATOM 1509 O GLU A 93 -8.115 1.452 0.932 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.435 0.654 -1.308 1.00 0.00 C ATOM 1511 CG GLU A 93 -11.904 0.681 -1.692 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.817 0.641 -0.493 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -13.019 1.687 0.148 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.346 -0.445 -0.183 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.599 2.924 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.541 1.947 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.835 0.567 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.242 -0.237 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.108 1.582 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.122 -0.169 -2.339 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.672 2.020 -1.199 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.229 1.972 -1.065 1.00 0.00 C ATOM 1523 C LEU A 94 -5.745 3.079 -0.131 1.00 0.00 C ATOM 1524 O LEU A 94 -4.853 2.867 0.689 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.587 2.120 -2.449 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.067 2.000 -2.513 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -3.616 0.619 -2.061 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.583 2.286 -3.925 1.00 0.00 C ATOM 0 H LEU A 94 -7.990 2.270 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.938 1.014 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.016 1.364 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.869 3.092 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.630 2.735 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.529 0.556 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.939 0.449 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.056 -0.138 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.497 2.198 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.029 1.569 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.875 3.296 -4.212 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.356 4.252 -0.258 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.019 5.401 0.575 1.00 0.00 C ATOM 1542 C GLU A 95 -6.275 5.082 2.050 1.00 0.00 C ATOM 1543 O GLU A 95 -5.424 5.320 2.909 1.00 0.00 O ATOM 1544 CB GLU A 95 -6.857 6.610 0.142 1.00 0.00 C ATOM 1545 CG GLU A 95 -6.525 7.901 0.868 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.104 8.356 0.626 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -4.776 8.708 -0.530 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -4.316 8.393 1.592 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.095 4.433 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.961 5.634 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.721 6.765 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.911 6.380 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.213 8.682 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.681 7.762 1.938 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.445 4.515 2.328 1.00 0.00 N ATOM 1556 CA GLN A 96 -7.803 4.134 3.688 1.00 0.00 C ATOM 1557 C GLN A 96 -6.920 2.999 4.181 1.00 0.00 C ATOM 1558 O GLN A 96 -6.557 2.952 5.352 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.274 3.735 3.780 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.238 4.868 3.481 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.680 4.484 3.735 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.060 3.318 3.606 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.487 5.456 4.101 1.00 0.00 N ATOM 0 H GLN A 96 -8.160 4.310 1.630 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.644 5.003 4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.463 2.917 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.475 3.354 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.981 5.731 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.124 5.173 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.130 6.407 4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.470 5.259 4.290 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.568 2.092 3.276 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.723 0.952 3.611 1.00 0.00 C ATOM 1574 C ALA A 97 -4.359 1.413 4.109 1.00 0.00 C ATOM 1575 O ALA A 97 -3.790 0.815 5.022 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.567 0.031 2.412 1.00 0.00 C ATOM 0 H ALA A 97 -6.857 2.125 2.298 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.208 0.397 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.933 -0.814 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.547 -0.334 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.109 0.580 1.589 1.00 0.00 H new ATOM 1582 N LEU A 98 -3.846 2.483 3.517 1.00 0.00 N ATOM 1583 CA LEU A 98 -2.561 3.034 3.922 1.00 0.00 C ATOM 1584 C LEU A 98 -2.620 3.516 5.363 1.00 0.00 C ATOM 1585 O LEU A 98 -1.715 3.252 6.155 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.167 4.191 3.006 1.00 0.00 C ATOM 1587 CG LEU A 98 -1.947 3.831 1.541 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -1.627 5.074 0.729 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -0.835 2.803 1.410 1.00 0.00 C ATOM 0 H LEU A 98 -4.300 2.986 2.755 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.811 2.247 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.944 4.954 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.252 4.640 3.392 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.866 3.395 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.473 4.798 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.456 5.778 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.722 5.540 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.690 2.556 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.089 3.213 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.106 1.902 1.960 1.00 0.00 H new ATOM 1601 N GLN A 99 -3.700 4.197 5.701 1.00 0.00 N ATOM 1602 CA GLN A 99 -3.896 4.699 7.052 1.00 0.00 C ATOM 1603 C GLN A 99 -4.161 3.536 8.002 1.00 0.00 C ATOM 1604 O GLN A 99 -3.719 3.538 9.148 1.00 0.00 O ATOM 1605 CB GLN A 99 -5.069 5.679 7.087 1.00 0.00 C ATOM 1606 CG GLN A 99 -4.958 6.824 6.087 1.00 0.00 C ATOM 1607 CD GLN A 99 -3.722 7.679 6.299 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -2.666 7.429 5.713 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -3.844 8.684 7.140 1.00 0.00 N ATOM 0 H GLN A 99 -4.459 4.417 5.056 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.993 5.222 7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.991 5.131 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.150 6.095 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.942 6.416 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.845 7.453 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.736 8.856 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.046 9.291 7.328 1.00 0.00 H new ATOM 1618 N LYS A 100 -4.868 2.540 7.490 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.218 1.345 8.243 1.00 0.00 C ATOM 1620 C LYS A 100 -3.961 0.594 8.678 1.00 0.00 C ATOM 1621 O LYS A 100 -3.836 0.186 9.833 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.092 0.443 7.367 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.630 -0.798 8.053 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.344 -1.694 7.052 1.00 0.00 C ATOM 1625 CE LYS A 100 -8.006 -2.878 7.727 1.00 0.00 C ATOM 1626 NZ LYS A 100 -9.094 -2.458 8.641 1.00 0.00 N ATOM 0 H LYS A 100 -5.218 2.538 6.532 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.767 1.634 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.934 1.028 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.511 0.135 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.812 -1.346 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.318 -0.511 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.096 -1.114 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.630 -2.051 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.408 -3.549 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.259 -3.441 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.681 -3.282 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.683 -2.058 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.682 -1.739 8.173 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.028 0.424 7.752 1.00 0.00 N ATOM 1641 CA ILE A 101 -1.786 -0.270 8.049 1.00 0.00 C ATOM 1642 C ILE A 101 -0.918 0.561 8.993 1.00 0.00 C ATOM 1643 O ILE A 101 -0.315 0.027 9.923 1.00 0.00 O ATOM 1644 CB ILE A 101 -0.989 -0.606 6.766 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.807 -1.535 5.862 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.341 -1.258 7.122 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.111 -1.895 4.568 1.00 0.00 C ATOM 0 H ILE A 101 -3.108 0.757 6.791 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.053 -1.209 8.534 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.790 0.321 6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.035 -2.450 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.759 -1.057 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.889 -1.488 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.928 -0.575 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.158 -2.178 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.751 -2.554 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.907 -0.987 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.172 -2.403 4.789 1.00 0.00 H new ATOM 1659 N ARG A 102 -0.875 1.871 8.758 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.097 2.775 9.606 1.00 0.00 C ATOM 1661 C ARG A 102 -0.600 2.737 11.044 1.00 0.00 C ATOM 1662 O ARG A 102 0.192 2.750 11.987 1.00 0.00 O ATOM 1663 CB ARG A 102 -0.140 4.208 9.063 1.00 0.00 C ATOM 1664 CG ARG A 102 0.676 4.407 7.794 1.00 0.00 C ATOM 1665 CD ARG A 102 0.509 5.812 7.229 1.00 0.00 C ATOM 1666 NE ARG A 102 0.871 6.851 8.198 1.00 0.00 N ATOM 1667 CZ ARG A 102 1.519 7.983 7.896 1.00 0.00 C ATOM 1668 NH1 ARG A 102 1.914 8.223 6.644 1.00 0.00 N ATOM 1669 NH2 ARG A 102 1.765 8.877 8.849 1.00 0.00 N ATOM 0 H ARG A 102 -1.367 2.330 7.991 1.00 0.00 H new ATOM 0 HA ARG A 102 0.939 2.435 9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.176 4.481 8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.227 4.889 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.729 4.223 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.369 3.676 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.128 5.918 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.526 5.955 6.917 1.00 0.00 H new ATOM 0 HE ARG A 102 0.610 6.701 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.723 7.542 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.407 9.088 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.460 8.699 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.258 9.741 8.623 1.00 0.00 H new ATOM 1683 N GLU A 103 -1.917 2.667 11.200 1.00 0.00 N ATOM 1684 CA GLU A 103 -2.540 2.598 12.476 1.00 0.00 C ATOM 1685 C GLU A 103 -2.133 1.315 13.197 1.00 0.00 C ATOM 1686 O GLU A 103 -1.838 1.325 14.383 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.038 2.646 12.262 1.00 0.00 C ATOM 1688 CG GLU A 103 -4.844 2.507 13.506 1.00 0.00 C ATOM 1689 CD GLU A 103 -4.854 3.757 14.369 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -5.667 3.815 15.328 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -4.074 4.696 14.090 1.00 0.00 O1- ATOM 0 H GLU A 103 -2.574 2.658 10.420 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.227 3.435 13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.294 3.591 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.319 1.851 11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.869 2.253 13.238 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.452 1.675 14.091 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.105 0.218 12.460 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.723 -1.075 13.016 1.00 0.00 C ATOM 1700 C LEU A 104 -0.234 -1.118 13.356 1.00 0.00 C ATOM 1701 O LEU A 104 0.169 -1.750 14.331 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.054 -2.197 12.027 1.00 0.00 C ATOM 1703 CG LEU A 104 -3.540 -2.462 11.782 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -3.721 -3.403 10.603 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -4.186 -3.049 13.026 1.00 0.00 C ATOM 0 H LEU A 104 -2.343 0.194 11.469 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.291 -1.219 13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.586 -1.961 11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.596 -3.118 12.388 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.027 -1.514 11.551 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.784 -3.582 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.288 -2.954 9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.221 -4.349 10.812 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.243 -3.232 12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.696 -3.988 13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.083 -2.348 13.855 1.00 0.00 H new ATOM 1717 N ALA A 105 0.575 -0.441 12.552 1.00 0.00 N ATOM 1718 CA ALA A 105 2.019 -0.468 12.732 1.00 0.00 C ATOM 1719 C ALA A 105 2.473 0.345 13.940 1.00 0.00 C ATOM 1720 O ALA A 105 3.473 0.010 14.574 1.00 0.00 O ATOM 1721 CB ALA A 105 2.701 0.042 11.475 1.00 0.00 C ATOM 0 H ALA A 105 0.256 0.132 11.771 1.00 0.00 H new ATOM 0 HA ALA A 105 2.305 -1.503 12.918 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.782 0.020 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.430 -0.593 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.381 1.065 11.277 1.00 0.00 H new ATOM 1727 N GLU A 106 1.756 1.407 14.258 1.00 0.00 N ATOM 1728 CA GLU A 106 2.107 2.217 15.418 1.00 0.00 C ATOM 1729 C GLU A 106 1.315 1.797 16.644 1.00 0.00 C ATOM 1730 O GLU A 106 1.736 2.023 17.783 1.00 0.00 O ATOM 1731 CB GLU A 106 1.877 3.706 15.144 1.00 0.00 C ATOM 1732 CG GLU A 106 0.422 4.080 14.915 1.00 0.00 C ATOM 1733 CD GLU A 106 0.203 5.571 14.928 1.00 0.00 C ATOM 1734 OE1 GLU A 106 0.350 6.209 13.863 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -0.118 6.119 16.010 1.00 0.00 O1- ATOM 0 H GLU A 106 0.938 1.729 13.740 1.00 0.00 H new ATOM 0 HA GLU A 106 3.167 2.054 15.613 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.260 4.282 15.986 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.457 3.997 14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.092 3.675 13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.195 3.618 15.686 1.00 0.00 H new ATOM 1742 N LYS A 107 0.185 1.169 16.408 1.00 0.00 N ATOM 1743 CA LYS A 107 -0.732 0.837 17.466 1.00 0.00 C ATOM 1744 C LYS A 107 -1.261 -0.580 17.310 1.00 0.00 C ATOM 1745 O LYS A 107 -2.190 -0.831 16.538 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.880 1.841 17.436 1.00 0.00 C ATOM 1747 CG LYS A 107 -2.910 1.698 18.538 1.00 0.00 C ATOM 1748 CD LYS A 107 -4.097 2.618 18.277 1.00 0.00 C ATOM 1749 CE LYS A 107 -3.653 4.066 18.101 1.00 0.00 C ATOM 1750 NZ LYS A 107 -4.758 4.937 17.640 1.00 0.00 N ATOM 0 H LYS A 107 -0.120 0.877 15.480 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.214 0.885 18.424 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.460 2.846 17.485 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.388 1.754 16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.249 0.664 18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.459 1.940 19.500 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.626 2.287 17.383 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.801 2.550 19.107 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.266 4.443 19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.835 4.109 17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.474 5.934 17.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.975 4.725 16.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.602 4.765 18.223 1.00 0.00 H new ATOM 1764 N LYS A 108 -0.657 -1.499 18.022 1.00 0.00 N ATOM 1765 CA LYS A 108 -1.093 -2.874 18.005 1.00 0.00 C ATOM 1766 C LYS A 108 -2.294 -3.034 18.926 1.00 0.00 C ATOM 1767 O LYS A 108 -2.171 -2.912 20.146 1.00 0.00 O ATOM 1768 CB LYS A 108 0.048 -3.796 18.441 1.00 0.00 C ATOM 1769 CG LYS A 108 -0.327 -5.267 18.525 1.00 0.00 C ATOM 1770 CD LYS A 108 -0.739 -5.829 17.175 1.00 0.00 C ATOM 1771 CE LYS A 108 -1.067 -7.312 17.274 1.00 0.00 C ATOM 1772 NZ LYS A 108 0.087 -8.100 17.788 1.00 0.00 N ATOM 0 H LYS A 108 0.145 -1.318 18.626 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.384 -3.150 16.991 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.876 -3.685 17.741 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.409 -3.470 19.416 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.519 -5.835 18.911 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.145 -5.392 19.234 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.607 -5.286 16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.065 -5.679 16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.925 -7.452 17.932 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.355 -7.687 16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.028 -9.075 17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.975 -7.667 17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.065 -8.109 18.828 1.00 0.00 H new ATOM 1786 N ASN A 109 -3.449 -3.277 18.349 1.00 0.00 N ATOM 1787 CA ASN A 109 -4.658 -3.422 19.130 1.00 0.00 C ATOM 1788 C ASN A 109 -4.916 -4.887 19.449 1.00 0.00 C ATOM 1789 O ASN A 109 -4.996 -5.222 20.643 1.00 0.00 O ATOM 1790 CB ASN A 109 -5.869 -2.767 18.426 1.00 0.00 C ATOM 1791 CG ASN A 109 -6.329 -3.503 17.181 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -5.769 -3.329 16.100 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -7.366 -4.305 17.318 1.00 0.00 N ATOM 1794 OXT ASN A 109 -4.997 -5.708 18.512 1.00 0.00 O ATOM 0 H ASN A 109 -3.578 -3.378 17.342 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.517 -2.895 20.073 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.699 -2.710 19.130 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.610 -1.743 18.156 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.732 -4.808 16.510 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.803 -4.422 18.232 1.00 0.00 H new TER 1801 ASN A 109