USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 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 47 SER OG : rot 180:sc= 0.16 USER MOD Set 1.2: A 50 GLN : amide:sc= -1.1 K(o=-0.94,f=-1.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 31:sc= 0.866 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.81) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.871! C(o=-0.87!,f=-7.2!) USER MOD Single : A 19 THR OG1 : rot 81:sc= 0.14 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.0663 (180deg=-1.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -0:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.8!) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.0734 (180deg=-0.654) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 38 LYS NZ :NH3+ -122:sc= -0.0863 (180deg=-0.898) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -144:sc= -0.0426 (180deg=-0.732) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 87:sc= 0.0533 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 57 ASN : amide:sc= -0.0265 K(o=-0.027,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.655 22.335 -11.726 1.00 0.00 N ATOM 2 CA GLY A 1 -1.050 21.306 -10.782 1.00 0.00 C ATOM 3 C GLY A 1 0.101 20.395 -10.403 1.00 0.00 C ATOM 4 O GLY A 1 0.881 19.980 -11.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.476 22.931 -11.953 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.094 22.922 -11.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.299 21.890 -12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.449 21.776 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.854 20.710 -11.214 1.00 0.00 H new ATOM 8 N SER A 2 0.208 20.083 -9.116 1.00 0.00 N ATOM 9 CA SER A 2 1.275 19.220 -8.624 1.00 0.00 C ATOM 10 C SER A 2 0.940 17.751 -8.865 1.00 0.00 C ATOM 11 O SER A 2 1.758 16.993 -9.387 1.00 0.00 O ATOM 12 CB SER A 2 1.510 19.463 -7.132 1.00 0.00 C ATOM 13 OG SER A 2 2.511 18.596 -6.626 1.00 0.00 O ATOM 0 H SER A 2 -0.432 20.415 -8.394 1.00 0.00 H new ATOM 0 HA SER A 2 2.186 19.462 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.807 20.499 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.580 19.309 -6.584 1.00 0.00 H new ATOM 0 HG SER A 2 2.644 18.772 -5.671 1.00 0.00 H new ATOM 19 N SER A 3 -0.270 17.356 -8.482 1.00 0.00 N ATOM 20 CA SER A 3 -0.714 15.977 -8.652 1.00 0.00 C ATOM 21 C SER A 3 -1.710 15.865 -9.802 1.00 0.00 C ATOM 22 O SER A 3 -2.868 16.259 -9.675 1.00 0.00 O ATOM 23 CB SER A 3 -1.349 15.461 -7.359 1.00 0.00 C ATOM 24 OG SER A 3 -2.490 16.226 -7.011 1.00 0.00 O ATOM 0 H SER A 3 -0.961 17.971 -8.052 1.00 0.00 H new ATOM 0 HA SER A 3 0.157 15.367 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.632 14.415 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.619 15.502 -6.550 1.00 0.00 H new ATOM 0 HG SER A 3 -2.922 16.558 -7.826 1.00 0.00 H new ATOM 30 N GLY A 4 -1.248 15.325 -10.926 1.00 0.00 N ATOM 31 CA GLY A 4 -2.110 15.170 -12.083 1.00 0.00 C ATOM 32 C GLY A 4 -2.494 13.725 -12.331 1.00 0.00 C ATOM 33 O GLY A 4 -3.625 13.434 -12.722 1.00 0.00 O ATOM 0 H GLY A 4 -0.293 14.992 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.013 15.763 -11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.604 15.565 -12.964 1.00 0.00 H new ATOM 37 N SER A 5 -1.551 12.816 -12.104 1.00 0.00 N ATOM 38 CA SER A 5 -1.795 11.393 -12.311 1.00 0.00 C ATOM 39 C SER A 5 -1.225 10.572 -11.159 1.00 0.00 C ATOM 40 O SER A 5 -0.225 10.949 -10.548 1.00 0.00 O ATOM 41 CB SER A 5 -1.178 10.935 -13.634 1.00 0.00 C ATOM 42 OG SER A 5 -1.729 9.698 -14.052 1.00 0.00 O ATOM 0 H SER A 5 -0.611 13.039 -11.777 1.00 0.00 H new ATOM 0 HA SER A 5 -2.873 11.236 -12.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.350 11.691 -14.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.098 10.836 -13.521 1.00 0.00 H new ATOM 0 HG SER A 5 -1.320 9.428 -14.900 1.00 0.00 H new ATOM 48 N SER A 6 -1.869 9.446 -10.868 1.00 0.00 N ATOM 49 CA SER A 6 -1.429 8.571 -9.787 1.00 0.00 C ATOM 50 C SER A 6 -1.062 7.190 -10.321 1.00 0.00 C ATOM 51 O SER A 6 -1.665 6.701 -11.275 1.00 0.00 O ATOM 52 CB SER A 6 -2.524 8.446 -8.726 1.00 0.00 C ATOM 53 OG SER A 6 -2.628 9.632 -7.958 1.00 0.00 O ATOM 0 H SER A 6 -2.697 9.118 -11.365 1.00 0.00 H new ATOM 0 HA SER A 6 -0.542 9.013 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.479 8.236 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.305 7.603 -8.071 1.00 0.00 H new ATOM 0 HG SER A 6 -3.336 9.527 -7.288 1.00 0.00 H new ATOM 59 N GLY A 7 -0.067 6.566 -9.697 1.00 0.00 N ATOM 60 CA GLY A 7 0.364 5.247 -10.122 1.00 0.00 C ATOM 61 C GLY A 7 -0.767 4.238 -10.120 1.00 0.00 C ATOM 62 O GLY A 7 -1.552 4.176 -9.173 1.00 0.00 O ATOM 0 H GLY A 7 0.448 6.951 -8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.787 5.312 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.159 4.898 -9.463 1.00 0.00 H new ATOM 66 N LYS A 8 -0.854 3.447 -11.183 1.00 0.00 N ATOM 67 CA LYS A 8 -1.898 2.436 -11.302 1.00 0.00 C ATOM 68 C LYS A 8 -1.599 1.237 -10.407 1.00 0.00 C ATOM 69 O LYS A 8 -2.454 0.794 -9.641 1.00 0.00 O ATOM 70 CB LYS A 8 -2.031 1.979 -12.757 1.00 0.00 C ATOM 71 CG LYS A 8 -3.382 1.364 -13.080 1.00 0.00 C ATOM 72 CD LYS A 8 -4.421 2.431 -13.384 1.00 0.00 C ATOM 73 CE LYS A 8 -5.806 1.826 -13.561 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.013 1.310 -14.943 1.00 0.00 N ATOM 0 H LYS A 8 -0.213 3.486 -11.976 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.839 2.882 -10.980 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.863 2.832 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.249 1.251 -12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.284 0.696 -13.936 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.717 0.757 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.442 3.161 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.139 2.968 -14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.942 1.015 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.562 2.578 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.968 0.906 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.908 2.089 -15.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.307 0.574 -15.148 1.00 0.00 H new ATOM 88 N GLY A 9 -0.379 0.718 -10.508 1.00 0.00 N ATOM 89 CA GLY A 9 0.011 -0.423 -9.701 1.00 0.00 C ATOM 90 C GLY A 9 0.061 -1.709 -10.502 1.00 0.00 C ATOM 91 O GLY A 9 0.154 -1.682 -11.728 1.00 0.00 O ATOM 0 H GLY A 9 0.346 1.068 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.990 -0.235 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.693 -0.539 -8.877 1.00 0.00 H new ATOM 95 N GLY A 10 0.000 -2.841 -9.806 1.00 0.00 N ATOM 96 CA GLY A 10 0.042 -4.127 -10.476 1.00 0.00 C ATOM 97 C GLY A 10 -1.269 -4.881 -10.365 1.00 0.00 C ATOM 98 O GLY A 10 -2.197 -4.429 -9.696 1.00 0.00 O ATOM 0 H GLY A 10 -0.078 -2.890 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.284 -3.977 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.842 -4.731 -10.048 1.00 0.00 H new ATOM 102 N GLN A 11 -1.344 -6.033 -11.025 1.00 0.00 N ATOM 103 CA GLN A 11 -2.552 -6.849 -10.999 1.00 0.00 C ATOM 104 C GLN A 11 -2.487 -7.883 -9.880 1.00 0.00 C ATOM 105 O GLN A 11 -2.033 -9.008 -10.085 1.00 0.00 O ATOM 106 CB GLN A 11 -2.748 -7.549 -12.345 1.00 0.00 C ATOM 107 CG GLN A 11 -4.166 -8.052 -12.569 1.00 0.00 C ATOM 108 CD GLN A 11 -4.451 -9.343 -11.827 1.00 0.00 C ATOM 109 OE1 GLN A 11 -5.209 -9.360 -10.856 1.00 0.00 O ATOM 110 NE2 GLN A 11 -3.845 -10.433 -12.282 1.00 0.00 N ATOM 0 H GLN A 11 -0.584 -6.421 -11.583 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.401 -6.191 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.486 -6.858 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.058 -8.390 -12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.874 -7.288 -12.247 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.328 -8.207 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.225 -10.372 -13.090 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.999 -11.331 -11.824 1.00 0.00 H new ATOM 119 N VAL A 12 -2.943 -7.493 -8.694 1.00 0.00 N ATOM 120 CA VAL A 12 -2.937 -8.385 -7.541 1.00 0.00 C ATOM 121 C VAL A 12 -4.304 -8.419 -6.865 1.00 0.00 C ATOM 122 O VAL A 12 -5.168 -7.589 -7.148 1.00 0.00 O ATOM 123 CB VAL A 12 -1.876 -7.962 -6.508 1.00 0.00 C ATOM 124 CG1 VAL A 12 -0.477 -8.125 -7.082 1.00 0.00 C ATOM 125 CG2 VAL A 12 -2.113 -6.528 -6.059 1.00 0.00 C ATOM 0 H VAL A 12 -3.321 -6.565 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.694 -9.380 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.963 -8.611 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.259 -7.821 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.313 -9.169 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.373 -7.502 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.354 -6.245 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.054 -5.863 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.101 -6.447 -5.605 1.00 0.00 H new ATOM 135 N ARG A 13 -4.491 -9.383 -5.970 1.00 0.00 N ATOM 136 CA ARG A 13 -5.753 -9.525 -5.253 1.00 0.00 C ATOM 137 C ARG A 13 -5.520 -10.065 -3.845 1.00 0.00 C ATOM 138 O ARG A 13 -5.004 -11.169 -3.669 1.00 0.00 O ATOM 139 CB ARG A 13 -6.696 -10.456 -6.018 1.00 0.00 C ATOM 140 CG ARG A 13 -8.153 -10.318 -5.607 1.00 0.00 C ATOM 141 CD ARG A 13 -9.078 -11.009 -6.596 1.00 0.00 C ATOM 142 NE ARG A 13 -9.204 -10.260 -7.844 1.00 0.00 N ATOM 143 CZ ARG A 13 -10.021 -10.609 -8.831 1.00 0.00 C ATOM 144 NH1 ARG A 13 -10.781 -11.689 -8.717 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.079 -9.876 -9.936 1.00 0.00 N ATOM 0 H ARG A 13 -3.785 -10.077 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.211 -8.539 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.607 -10.252 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.380 -11.487 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.294 -10.746 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.415 -9.262 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.699 -12.008 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.063 -11.132 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.633 -9.423 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.739 -12.255 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.407 -11.954 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.496 -9.044 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.707 -10.145 -10.694 1.00 0.00 H new ATOM 159 N PHE A 14 -5.904 -9.279 -2.845 1.00 0.00 N ATOM 160 CA PHE A 14 -5.736 -9.677 -1.452 1.00 0.00 C ATOM 161 C PHE A 14 -6.968 -9.309 -0.629 1.00 0.00 C ATOM 162 O PHE A 14 -7.380 -8.150 -0.594 1.00 0.00 O ATOM 163 CB PHE A 14 -4.494 -9.012 -0.856 1.00 0.00 C ATOM 164 CG PHE A 14 -3.209 -9.475 -1.481 1.00 0.00 C ATOM 165 CD1 PHE A 14 -2.824 -10.804 -1.403 1.00 0.00 C ATOM 166 CD2 PHE A 14 -2.386 -8.581 -2.147 1.00 0.00 C ATOM 167 CE1 PHE A 14 -1.641 -11.232 -1.976 1.00 0.00 C ATOM 168 CE2 PHE A 14 -1.202 -9.004 -2.723 1.00 0.00 C ATOM 169 CZ PHE A 14 -0.830 -10.331 -2.638 1.00 0.00 C ATOM 0 H PHE A 14 -6.334 -8.363 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.610 -10.759 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.578 -7.932 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.462 -9.214 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.455 -11.513 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.672 -7.542 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.351 -12.270 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.569 -8.297 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.093 -10.664 -3.088 1.00 0.00 H new ATOM 179 N SER A 15 -7.550 -10.305 0.031 1.00 0.00 N ATOM 180 CA SER A 15 -8.737 -10.088 0.850 1.00 0.00 C ATOM 181 C SER A 15 -8.486 -9.003 1.893 1.00 0.00 C ATOM 182 O SER A 15 -7.365 -8.521 2.046 1.00 0.00 O ATOM 183 CB SER A 15 -9.151 -11.389 1.540 1.00 0.00 C ATOM 184 OG SER A 15 -10.526 -11.371 1.879 1.00 0.00 O ATOM 0 H SER A 15 -7.219 -11.270 0.015 1.00 0.00 H new ATOM 0 HA SER A 15 -9.545 -9.759 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.946 -12.234 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.553 -11.533 2.440 1.00 0.00 H new ATOM 0 HG SER A 15 -10.766 -12.214 2.317 1.00 0.00 H new ATOM 190 N ASN A 16 -9.540 -8.624 2.609 1.00 0.00 N ATOM 191 CA ASN A 16 -9.436 -7.596 3.637 1.00 0.00 C ATOM 192 C ASN A 16 -8.398 -7.980 4.688 1.00 0.00 C ATOM 193 O ASN A 16 -7.389 -7.295 4.858 1.00 0.00 O ATOM 194 CB ASN A 16 -10.795 -7.373 4.305 1.00 0.00 C ATOM 195 CG ASN A 16 -11.788 -6.696 3.381 1.00 0.00 C ATOM 196 OD1 ASN A 16 -12.647 -7.350 2.788 1.00 0.00 O ATOM 197 ND2 ASN A 16 -11.676 -5.379 3.254 1.00 0.00 N ATOM 0 H ASN A 16 -10.476 -9.014 2.496 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.117 -6.670 3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.199 -8.332 4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.662 -6.765 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.317 -4.869 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.949 -4.877 3.764 1.00 0.00 H new ATOM 204 N ASP A 17 -8.653 -9.080 5.388 1.00 0.00 N ATOM 205 CA ASP A 17 -7.740 -9.557 6.421 1.00 0.00 C ATOM 206 C ASP A 17 -6.347 -9.796 5.846 1.00 0.00 C ATOM 207 O ASP A 17 -5.359 -9.261 6.348 1.00 0.00 O ATOM 208 CB ASP A 17 -8.275 -10.845 7.048 1.00 0.00 C ATOM 209 CG ASP A 17 -8.873 -11.785 6.020 1.00 0.00 C ATOM 210 OD1 ASP A 17 -8.106 -12.545 5.394 1.00 0.00 O ATOM 211 OD2 ASP A 17 -10.109 -11.759 5.840 1.00 0.00 O ATOM 0 H ASP A 17 -9.484 -9.658 5.259 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.668 -8.790 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.466 -11.353 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.032 -10.596 7.792 1.00 0.00 H new ATOM 216 N GLN A 18 -6.278 -10.603 4.793 1.00 0.00 N ATOM 217 CA GLN A 18 -5.005 -10.914 4.152 1.00 0.00 C ATOM 218 C GLN A 18 -4.128 -9.671 4.051 1.00 0.00 C ATOM 219 O GLN A 18 -3.042 -9.615 4.628 1.00 0.00 O ATOM 220 CB GLN A 18 -5.241 -11.501 2.759 1.00 0.00 C ATOM 221 CG GLN A 18 -5.406 -13.012 2.755 1.00 0.00 C ATOM 222 CD GLN A 18 -5.875 -13.545 1.416 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.109 -12.781 0.479 1.00 0.00 O ATOM 224 NE2 GLN A 18 -6.014 -14.861 1.318 1.00 0.00 N ATOM 0 H GLN A 18 -7.087 -11.053 4.365 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.489 -11.651 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.133 -11.045 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.403 -11.234 2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.455 -13.478 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.122 -13.297 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.809 -15.457 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.326 -15.277 0.440 1.00 0.00 H new ATOM 233 N THR A 19 -4.607 -8.673 3.314 1.00 0.00 N ATOM 234 CA THR A 19 -3.866 -7.431 3.135 1.00 0.00 C ATOM 235 C THR A 19 -3.432 -6.852 4.477 1.00 0.00 C ATOM 236 O THR A 19 -2.265 -6.509 4.668 1.00 0.00 O ATOM 237 CB THR A 19 -4.704 -6.380 2.383 1.00 0.00 C ATOM 238 OG1 THR A 19 -5.119 -6.901 1.115 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.908 -5.100 2.176 1.00 0.00 C ATOM 0 H THR A 19 -5.505 -8.701 2.832 1.00 0.00 H new ATOM 0 HA THR A 19 -2.983 -7.672 2.543 1.00 0.00 H new ATOM 0 HB THR A 19 -5.582 -6.149 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.902 -7.478 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.520 -4.373 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.619 -4.691 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.014 -5.318 1.593 1.00 0.00 H new ATOM 247 N ILE A 20 -4.378 -6.747 5.404 1.00 0.00 N ATOM 248 CA ILE A 20 -4.092 -6.211 6.730 1.00 0.00 C ATOM 249 C ILE A 20 -2.830 -6.836 7.315 1.00 0.00 C ATOM 250 O ILE A 20 -1.840 -6.147 7.557 1.00 0.00 O ATOM 251 CB ILE A 20 -5.266 -6.448 7.698 1.00 0.00 C ATOM 252 CG1 ILE A 20 -6.503 -5.678 7.233 1.00 0.00 C ATOM 253 CG2 ILE A 20 -4.878 -6.036 9.111 1.00 0.00 C ATOM 254 CD1 ILE A 20 -7.800 -6.231 7.780 1.00 0.00 C ATOM 0 H ILE A 20 -5.349 -7.026 5.262 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.941 -5.138 6.611 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.505 -7.511 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.406 -4.635 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.542 -5.693 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.718 -6.209 9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.022 -6.625 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.616 -4.978 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.634 -5.636 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.920 -7.265 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.782 -6.191 8.869 1.00 0.00 H new ATOM 266 N GLU A 21 -2.874 -8.146 7.537 1.00 0.00 N ATOM 267 CA GLU A 21 -1.733 -8.864 8.093 1.00 0.00 C ATOM 268 C GLU A 21 -0.492 -8.669 7.226 1.00 0.00 C ATOM 269 O GLU A 21 0.586 -8.349 7.728 1.00 0.00 O ATOM 270 CB GLU A 21 -2.052 -10.356 8.217 1.00 0.00 C ATOM 271 CG GLU A 21 -2.711 -10.729 9.534 1.00 0.00 C ATOM 272 CD GLU A 21 -1.704 -11.005 10.633 1.00 0.00 C ATOM 273 OE1 GLU A 21 -0.968 -10.070 11.013 1.00 0.00 O ATOM 274 OE2 GLU A 21 -1.651 -12.156 11.114 1.00 0.00 O ATOM 0 H GLU A 21 -3.686 -8.731 7.341 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.530 -8.459 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.707 -10.648 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.130 -10.927 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.372 -9.921 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.334 -11.611 9.387 1.00 0.00 H new ATOM 281 N LEU A 22 -0.653 -8.864 5.922 1.00 0.00 N ATOM 282 CA LEU A 22 0.454 -8.710 4.983 1.00 0.00 C ATOM 283 C LEU A 22 1.238 -7.434 5.271 1.00 0.00 C ATOM 284 O LEU A 22 2.431 -7.350 4.981 1.00 0.00 O ATOM 285 CB LEU A 22 -0.070 -8.688 3.546 1.00 0.00 C ATOM 286 CG LEU A 22 -0.355 -10.050 2.914 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.098 -9.884 1.598 1.00 0.00 C ATOM 288 CD2 LEU A 22 0.940 -10.821 2.703 1.00 0.00 C ATOM 0 H LEU A 22 -1.538 -9.129 5.490 1.00 0.00 H new ATOM 0 HA LEU A 22 1.124 -9.561 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.988 -8.101 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.657 -8.166 2.924 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.988 -10.619 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.292 -10.865 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.044 -9.373 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.492 -9.295 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.718 -11.788 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.597 -10.255 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.434 -10.973 3.663 1.00 0.00 H new ATOM 300 N GLU A 23 0.560 -6.445 5.845 1.00 0.00 N ATOM 301 CA GLU A 23 1.195 -5.174 6.173 1.00 0.00 C ATOM 302 C GLU A 23 1.798 -5.213 7.574 1.00 0.00 C ATOM 303 O GLU A 23 2.984 -4.943 7.760 1.00 0.00 O ATOM 304 CB GLU A 23 0.182 -4.032 6.072 1.00 0.00 C ATOM 305 CG GLU A 23 -0.412 -3.866 4.684 1.00 0.00 C ATOM 306 CD GLU A 23 -0.904 -2.455 4.424 1.00 0.00 C ATOM 307 OE1 GLU A 23 -0.186 -1.501 4.790 1.00 0.00 O ATOM 308 OE2 GLU A 23 -2.005 -2.305 3.856 1.00 0.00 O ATOM 0 H GLU A 23 -0.428 -6.499 6.092 1.00 0.00 H new ATOM 0 HA GLU A 23 1.998 -5.002 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.624 -4.209 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.667 -3.101 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.338 -4.128 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.240 -4.564 4.562 1.00 0.00 H new ATOM 315 N LYS A 24 0.971 -5.550 8.558 1.00 0.00 N ATOM 316 CA LYS A 24 1.419 -5.625 9.943 1.00 0.00 C ATOM 317 C LYS A 24 2.738 -6.384 10.048 1.00 0.00 C ATOM 318 O LYS A 24 3.472 -6.243 11.026 1.00 0.00 O ATOM 319 CB LYS A 24 0.357 -6.306 10.809 1.00 0.00 C ATOM 320 CG LYS A 24 -0.994 -5.611 10.773 1.00 0.00 C ATOM 321 CD LYS A 24 -2.033 -6.370 11.582 1.00 0.00 C ATOM 322 CE LYS A 24 -2.061 -5.904 13.029 1.00 0.00 C ATOM 323 NZ LYS A 24 -0.994 -6.552 13.841 1.00 0.00 N ATOM 0 H LYS A 24 -0.014 -5.776 8.421 1.00 0.00 H new ATOM 0 HA LYS A 24 1.575 -4.608 10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.235 -7.337 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.710 -6.343 11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.894 -4.599 11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.330 -5.521 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.017 -6.231 11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.815 -7.437 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.937 -4.822 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.035 -6.128 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.313 -6.640 14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.791 -7.497 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.131 -5.972 13.807 1.00 0.00 H new ATOM 337 N LYS A 25 3.034 -7.189 9.033 1.00 0.00 N ATOM 338 CA LYS A 25 4.266 -7.968 9.008 1.00 0.00 C ATOM 339 C LYS A 25 5.413 -7.156 8.416 1.00 0.00 C ATOM 340 O LYS A 25 6.435 -6.939 9.068 1.00 0.00 O ATOM 341 CB LYS A 25 4.065 -9.252 8.198 1.00 0.00 C ATOM 342 CG LYS A 25 5.226 -10.226 8.305 1.00 0.00 C ATOM 343 CD LYS A 25 5.376 -10.761 9.720 1.00 0.00 C ATOM 344 CE LYS A 25 6.188 -12.047 9.746 1.00 0.00 C ATOM 345 NZ LYS A 25 6.001 -12.796 11.019 1.00 0.00 N ATOM 0 H LYS A 25 2.437 -7.319 8.216 1.00 0.00 H new ATOM 0 HA LYS A 25 4.522 -8.229 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.154 -9.746 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.916 -8.991 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.071 -11.056 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.148 -9.729 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.861 -10.011 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.390 -10.943 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.895 -12.678 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.244 -11.812 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.571 -13.666 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.304 -12.203 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.997 -13.043 11.132 1.00 0.00 H new ATOM 359 N PHE A 26 5.237 -6.707 7.178 1.00 0.00 N ATOM 360 CA PHE A 26 6.257 -5.917 6.498 1.00 0.00 C ATOM 361 C PHE A 26 6.785 -4.812 7.409 1.00 0.00 C ATOM 362 O PHE A 26 7.972 -4.489 7.384 1.00 0.00 O ATOM 363 CB PHE A 26 5.690 -5.308 5.215 1.00 0.00 C ATOM 364 CG PHE A 26 6.446 -4.100 4.739 1.00 0.00 C ATOM 365 CD1 PHE A 26 6.209 -2.854 5.297 1.00 0.00 C ATOM 366 CD2 PHE A 26 7.394 -4.211 3.735 1.00 0.00 C ATOM 367 CE1 PHE A 26 6.903 -1.741 4.861 1.00 0.00 C ATOM 368 CE2 PHE A 26 8.091 -3.101 3.295 1.00 0.00 C ATOM 369 CZ PHE A 26 7.846 -1.865 3.859 1.00 0.00 C ATOM 0 H PHE A 26 4.397 -6.877 6.625 1.00 0.00 H new ATOM 0 HA PHE A 26 7.084 -6.580 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.697 -6.064 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.649 -5.032 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.474 -2.751 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.591 -5.176 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.708 -0.775 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.827 -3.201 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.390 -0.997 3.518 1.00 0.00 H new ATOM 379 N GLU A 27 5.894 -4.237 8.210 1.00 0.00 N ATOM 380 CA GLU A 27 6.270 -3.168 9.127 1.00 0.00 C ATOM 381 C GLU A 27 7.328 -3.647 10.118 1.00 0.00 C ATOM 382 O GLU A 27 8.353 -2.994 10.315 1.00 0.00 O ATOM 383 CB GLU A 27 5.041 -2.658 9.883 1.00 0.00 C ATOM 384 CG GLU A 27 3.867 -2.322 8.979 1.00 0.00 C ATOM 385 CD GLU A 27 3.887 -0.881 8.508 1.00 0.00 C ATOM 386 OE1 GLU A 27 3.391 -0.007 9.249 1.00 0.00 O ATOM 387 OE2 GLU A 27 4.399 -0.628 7.397 1.00 0.00 O ATOM 0 H GLU A 27 4.907 -4.493 8.242 1.00 0.00 H new ATOM 0 HA GLU A 27 6.691 -2.352 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.729 -3.414 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.317 -1.770 10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.879 -2.984 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.936 -2.513 9.513 1.00 0.00 H new ATOM 394 N THR A 28 7.070 -4.794 10.740 1.00 0.00 N ATOM 395 CA THR A 28 7.997 -5.361 11.711 1.00 0.00 C ATOM 396 C THR A 28 9.241 -5.916 11.026 1.00 0.00 C ATOM 397 O THR A 28 10.300 -6.032 11.641 1.00 0.00 O ATOM 398 CB THR A 28 7.334 -6.483 12.532 1.00 0.00 C ATOM 399 OG1 THR A 28 6.824 -7.495 11.657 1.00 0.00 O ATOM 400 CG2 THR A 28 6.205 -5.931 13.389 1.00 0.00 C ATOM 0 H THR A 28 6.227 -5.348 10.588 1.00 0.00 H new ATOM 0 HA THR A 28 8.286 -4.551 12.381 1.00 0.00 H new ATOM 0 HB THR A 28 8.088 -6.917 13.188 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.005 -7.245 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.752 -6.741 13.960 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.601 -5.182 14.074 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.452 -5.473 12.748 1.00 0.00 H new ATOM 408 N GLN A 29 9.104 -6.257 9.748 1.00 0.00 N ATOM 409 CA GLN A 29 10.218 -6.800 8.980 1.00 0.00 C ATOM 410 C GLN A 29 10.008 -6.578 7.486 1.00 0.00 C ATOM 411 O GLN A 29 9.099 -7.150 6.884 1.00 0.00 O ATOM 412 CB GLN A 29 10.383 -8.293 9.267 1.00 0.00 C ATOM 413 CG GLN A 29 11.820 -8.777 9.164 1.00 0.00 C ATOM 414 CD GLN A 29 11.917 -10.270 8.919 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.181 -11.058 9.514 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.828 -10.668 8.039 1.00 0.00 N ATOM 0 H GLN A 29 8.234 -6.167 9.224 1.00 0.00 H new ATOM 0 HA GLN A 29 11.125 -6.277 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.008 -8.506 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.767 -8.859 8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.321 -8.247 8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.350 -8.528 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.417 -9.981 7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.939 -11.661 7.833 1.00 0.00 H new ATOM 425 N LYS A 30 10.854 -5.743 6.892 1.00 0.00 N ATOM 426 CA LYS A 30 10.763 -5.445 5.468 1.00 0.00 C ATOM 427 C LYS A 30 10.844 -6.723 4.638 1.00 0.00 C ATOM 428 O LYS A 30 10.217 -6.831 3.584 1.00 0.00 O ATOM 429 CB LYS A 30 11.879 -4.484 5.054 1.00 0.00 C ATOM 430 CG LYS A 30 11.937 -3.221 5.895 1.00 0.00 C ATOM 431 CD LYS A 30 10.781 -2.286 5.577 1.00 0.00 C ATOM 432 CE LYS A 30 10.511 -1.324 6.723 1.00 0.00 C ATOM 433 NZ LYS A 30 10.084 -2.038 7.958 1.00 0.00 N ATOM 0 H LYS A 30 11.611 -5.260 7.376 1.00 0.00 H new ATOM 0 HA LYS A 30 9.798 -4.973 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.836 -5.001 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.740 -4.208 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.912 -3.485 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.882 -2.707 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.007 -1.722 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.884 -2.871 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.411 -0.745 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.737 -0.615 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.507 -1.402 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.523 -2.875 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.924 -2.337 8.494 1.00 0.00 H new ATOM 447 N TYR A 31 11.619 -7.688 5.121 1.00 0.00 N ATOM 448 CA TYR A 31 11.782 -8.958 4.423 1.00 0.00 C ATOM 449 C TYR A 31 11.369 -10.126 5.314 1.00 0.00 C ATOM 450 O TYR A 31 11.025 -9.940 6.482 1.00 0.00 O ATOM 451 CB TYR A 31 13.234 -9.133 3.974 1.00 0.00 C ATOM 452 CG TYR A 31 13.534 -8.497 2.636 1.00 0.00 C ATOM 453 CD1 TYR A 31 13.240 -7.160 2.398 1.00 0.00 C ATOM 454 CD2 TYR A 31 14.113 -9.233 1.609 1.00 0.00 C ATOM 455 CE1 TYR A 31 13.512 -6.575 1.176 1.00 0.00 C ATOM 456 CE2 TYR A 31 14.391 -8.656 0.385 1.00 0.00 C ATOM 457 CZ TYR A 31 14.088 -7.327 0.173 1.00 0.00 C ATOM 458 OH TYR A 31 14.362 -6.748 -1.045 1.00 0.00 O ATOM 0 H TYR A 31 12.144 -7.615 5.993 1.00 0.00 H new ATOM 0 HA TYR A 31 11.135 -8.948 3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.893 -8.702 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.463 -10.197 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.791 -6.568 3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.350 -10.274 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.275 -5.535 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.843 -9.242 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 31 14.767 -7.413 -1.640 1.00 0.00 H new ATOM 468 N LEU A 32 11.404 -11.330 4.753 1.00 0.00 N ATOM 469 CA LEU A 32 11.035 -12.530 5.495 1.00 0.00 C ATOM 470 C LEU A 32 11.749 -13.757 4.937 1.00 0.00 C ATOM 471 O LEU A 32 11.631 -14.072 3.753 1.00 0.00 O ATOM 472 CB LEU A 32 9.520 -12.740 5.442 1.00 0.00 C ATOM 473 CG LEU A 32 8.666 -11.614 6.025 1.00 0.00 C ATOM 474 CD1 LEU A 32 7.246 -11.686 5.484 1.00 0.00 C ATOM 475 CD2 LEU A 32 8.663 -11.680 7.546 1.00 0.00 C ATOM 0 H LEU A 32 11.684 -11.501 3.787 1.00 0.00 H new ATOM 0 HA LEU A 32 11.342 -12.395 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.230 -12.888 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.282 -13.662 5.973 1.00 0.00 H new ATOM 0 HG LEU A 32 9.100 -10.661 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.653 -10.877 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.265 -11.589 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.801 -12.643 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.050 -10.871 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.254 -12.638 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.683 -11.579 7.917 1.00 0.00 H new ATOM 487 N SER A 33 12.490 -14.446 5.799 1.00 0.00 N ATOM 488 CA SER A 33 13.226 -15.638 5.392 1.00 0.00 C ATOM 489 C SER A 33 12.275 -16.709 4.865 1.00 0.00 C ATOM 490 O SER A 33 11.096 -16.757 5.217 1.00 0.00 O ATOM 491 CB SER A 33 14.034 -16.190 6.567 1.00 0.00 C ATOM 492 OG SER A 33 14.612 -15.142 7.326 1.00 0.00 O ATOM 0 H SER A 33 12.597 -14.200 6.783 1.00 0.00 H new ATOM 0 HA SER A 33 13.910 -15.358 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.388 -16.792 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.818 -16.849 6.195 1.00 0.00 H new ATOM 0 HG SER A 33 15.122 -15.521 8.072 1.00 0.00 H new ATOM 498 N PRO A 34 12.800 -17.591 4.001 1.00 0.00 N ATOM 499 CA PRO A 34 12.017 -18.678 3.407 1.00 0.00 C ATOM 500 C PRO A 34 11.209 -19.447 4.447 1.00 0.00 C ATOM 501 O PRO A 34 10.035 -19.761 4.249 1.00 0.00 O ATOM 502 CB PRO A 34 13.082 -19.583 2.783 1.00 0.00 C ATOM 503 CG PRO A 34 14.231 -18.677 2.503 1.00 0.00 C ATOM 504 CD PRO A 34 14.197 -17.594 3.537 1.00 0.00 C ATOM 0 HA PRO A 34 11.282 -18.307 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.367 -20.386 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.717 -20.053 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.173 -19.224 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.155 -18.256 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.889 -17.800 4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.480 -16.630 3.115 1.00 0.00 H new ATOM 512 N PRO A 35 11.850 -19.757 5.584 1.00 0.00 N ATOM 513 CA PRO A 35 11.209 -20.491 6.679 1.00 0.00 C ATOM 514 C PRO A 35 9.841 -19.921 7.038 1.00 0.00 C ATOM 515 O PRO A 35 8.888 -20.665 7.262 1.00 0.00 O ATOM 516 CB PRO A 35 12.185 -20.313 7.845 1.00 0.00 C ATOM 517 CG PRO A 35 13.509 -20.090 7.199 1.00 0.00 C ATOM 518 CD PRO A 35 13.249 -19.414 5.888 1.00 0.00 C ATOM 0 HA PRO A 35 11.022 -21.532 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.903 -19.467 8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.201 -21.194 8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.147 -19.473 7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.029 -21.036 7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.389 -18.335 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.926 -19.773 5.112 1.00 0.00 H new ATOM 526 N GLU A 36 9.753 -18.595 7.089 1.00 0.00 N ATOM 527 CA GLU A 36 8.501 -17.926 7.421 1.00 0.00 C ATOM 528 C GLU A 36 7.619 -17.777 6.185 1.00 0.00 C ATOM 529 O GLU A 36 6.550 -18.382 6.095 1.00 0.00 O ATOM 530 CB GLU A 36 8.779 -16.550 8.031 1.00 0.00 C ATOM 531 CG GLU A 36 9.893 -16.556 9.064 1.00 0.00 C ATOM 532 CD GLU A 36 9.385 -16.816 10.469 1.00 0.00 C ATOM 533 OE1 GLU A 36 8.278 -17.378 10.604 1.00 0.00 O ATOM 534 OE2 GLU A 36 10.093 -16.457 11.432 1.00 0.00 O ATOM 0 H GLU A 36 10.533 -17.964 6.905 1.00 0.00 H new ATOM 0 HA GLU A 36 7.973 -18.540 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.038 -15.854 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.866 -16.177 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.625 -17.319 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.410 -15.597 9.040 1.00 0.00 H new ATOM 541 N ARG A 37 8.074 -16.968 5.234 1.00 0.00 N ATOM 542 CA ARG A 37 7.327 -16.739 4.003 1.00 0.00 C ATOM 543 C ARG A 37 6.578 -17.999 3.579 1.00 0.00 C ATOM 544 O ARG A 37 5.457 -17.927 3.073 1.00 0.00 O ATOM 545 CB ARG A 37 8.269 -16.292 2.884 1.00 0.00 C ATOM 546 CG ARG A 37 7.565 -15.574 1.745 1.00 0.00 C ATOM 547 CD ARG A 37 8.374 -15.643 0.459 1.00 0.00 C ATOM 548 NE ARG A 37 8.707 -17.017 0.094 1.00 0.00 N ATOM 549 CZ ARG A 37 9.428 -17.340 -0.974 1.00 0.00 C ATOM 550 NH1 ARG A 37 9.889 -16.392 -1.778 1.00 0.00 N ATOM 551 NH2 ARG A 37 9.689 -18.613 -1.239 1.00 0.00 N ATOM 0 H ARG A 37 8.957 -16.460 5.292 1.00 0.00 H new ATOM 0 HA ARG A 37 6.599 -15.950 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.030 -15.633 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.787 -17.165 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.584 -16.020 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.400 -14.531 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.809 -15.180 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.292 -15.067 0.577 1.00 0.00 H new ATOM 0 HE ARG A 37 8.367 -17.770 0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.690 -15.412 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.442 -16.643 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.336 -19.345 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.243 -18.860 -2.059 1.00 0.00 H new ATOM 565 N LYS A 38 7.204 -19.152 3.788 1.00 0.00 N ATOM 566 CA LYS A 38 6.598 -20.428 3.429 1.00 0.00 C ATOM 567 C LYS A 38 5.344 -20.688 4.258 1.00 0.00 C ATOM 568 O LYS A 38 4.292 -21.033 3.719 1.00 0.00 O ATOM 569 CB LYS A 38 7.600 -21.567 3.630 1.00 0.00 C ATOM 570 CG LYS A 38 8.614 -21.691 2.506 1.00 0.00 C ATOM 571 CD LYS A 38 9.847 -22.459 2.949 1.00 0.00 C ATOM 572 CE LYS A 38 9.544 -23.937 3.143 1.00 0.00 C ATOM 573 NZ LYS A 38 9.058 -24.228 4.520 1.00 0.00 N ATOM 0 H LYS A 38 8.132 -19.229 4.205 1.00 0.00 H new ATOM 0 HA LYS A 38 6.314 -20.383 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.129 -21.412 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.055 -22.507 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.156 -22.196 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.906 -20.697 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.636 -22.343 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.223 -22.038 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.793 -24.252 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.443 -24.521 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.684 -24.927 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.059 -23.352 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.091 -24.609 4.474 1.00 0.00 H new ATOM 587 N ARG A 39 5.463 -20.518 5.571 1.00 0.00 N ATOM 588 CA ARG A 39 4.339 -20.734 6.474 1.00 0.00 C ATOM 589 C ARG A 39 3.277 -19.653 6.289 1.00 0.00 C ATOM 590 O ARG A 39 2.078 -19.934 6.318 1.00 0.00 O ATOM 591 CB ARG A 39 4.819 -20.749 7.926 1.00 0.00 C ATOM 592 CG ARG A 39 4.792 -19.382 8.591 1.00 0.00 C ATOM 593 CD ARG A 39 5.675 -19.346 9.828 1.00 0.00 C ATOM 594 NE ARG A 39 5.073 -20.062 10.951 1.00 0.00 N ATOM 595 CZ ARG A 39 5.654 -20.186 12.139 1.00 0.00 C ATOM 596 NH1 ARG A 39 6.845 -19.646 12.358 1.00 0.00 N ATOM 597 NH2 ARG A 39 5.043 -20.852 13.110 1.00 0.00 N ATOM 0 H ARG A 39 6.326 -20.231 6.033 1.00 0.00 H new ATOM 0 HA ARG A 39 3.895 -21.700 6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.195 -21.435 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.836 -21.140 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.126 -18.625 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.768 -19.131 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.644 -19.787 9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.857 -18.310 10.114 1.00 0.00 H new ATOM 0 HE ARG A 39 4.157 -20.490 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.317 -19.134 11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.289 -19.743 13.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.127 -21.269 12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.489 -20.947 14.022 1.00 0.00 H new ATOM 611 N LEU A 40 3.726 -18.417 6.100 1.00 0.00 N ATOM 612 CA LEU A 40 2.815 -17.294 5.910 1.00 0.00 C ATOM 613 C LEU A 40 1.845 -17.566 4.765 1.00 0.00 C ATOM 614 O LEU A 40 0.629 -17.474 4.933 1.00 0.00 O ATOM 615 CB LEU A 40 3.605 -16.013 5.631 1.00 0.00 C ATOM 616 CG LEU A 40 2.891 -14.701 5.956 1.00 0.00 C ATOM 617 CD1 LEU A 40 2.605 -14.603 7.446 1.00 0.00 C ATOM 618 CD2 LEU A 40 3.721 -13.513 5.491 1.00 0.00 C ATOM 0 H LEU A 40 4.715 -18.167 6.074 1.00 0.00 H new ATOM 0 HA LEU A 40 2.239 -17.167 6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.532 -16.050 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.881 -16.002 4.576 1.00 0.00 H new ATOM 0 HG LEU A 40 1.940 -14.686 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.097 -13.662 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.970 -15.435 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.543 -14.641 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.198 -12.587 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.687 -13.524 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.874 -13.575 4.414 1.00 0.00 H new ATOM 630 N ALA A 41 2.391 -17.903 3.601 1.00 0.00 N ATOM 631 CA ALA A 41 1.574 -18.193 2.430 1.00 0.00 C ATOM 632 C ALA A 41 0.490 -19.215 2.756 1.00 0.00 C ATOM 633 O ALA A 41 -0.559 -19.251 2.111 1.00 0.00 O ATOM 634 CB ALA A 41 2.447 -18.693 1.288 1.00 0.00 C ATOM 0 H ALA A 41 3.396 -17.982 3.444 1.00 0.00 H new ATOM 0 HA ALA A 41 1.085 -17.269 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.823 -18.906 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.181 -17.929 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.963 -19.602 1.596 1.00 0.00 H new ATOM 640 N LYS A 42 0.749 -20.046 3.760 1.00 0.00 N ATOM 641 CA LYS A 42 -0.204 -21.069 4.173 1.00 0.00 C ATOM 642 C LYS A 42 -1.141 -20.536 5.252 1.00 0.00 C ATOM 643 O LYS A 42 -2.281 -20.983 5.373 1.00 0.00 O ATOM 644 CB LYS A 42 0.535 -22.305 4.689 1.00 0.00 C ATOM 645 CG LYS A 42 -0.284 -23.582 4.608 1.00 0.00 C ATOM 646 CD LYS A 42 0.541 -24.799 4.990 1.00 0.00 C ATOM 647 CE LYS A 42 -0.194 -26.092 4.674 1.00 0.00 C ATOM 648 NZ LYS A 42 0.335 -27.238 5.465 1.00 0.00 N ATOM 0 H LYS A 42 1.612 -20.031 4.303 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.800 -21.347 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.453 -22.435 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.828 -22.136 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.147 -23.504 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.668 -23.705 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.490 -24.779 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.774 -24.762 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.256 -25.966 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.102 -26.312 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.192 -28.101 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.343 -27.374 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.224 -27.040 6.480 1.00 0.00 H new ATOM 662 N MET A 43 -0.653 -19.577 6.032 1.00 0.00 N ATOM 663 CA MET A 43 -1.449 -18.981 7.099 1.00 0.00 C ATOM 664 C MET A 43 -2.485 -18.017 6.531 1.00 0.00 C ATOM 665 O MET A 43 -3.654 -18.047 6.918 1.00 0.00 O ATOM 666 CB MET A 43 -0.544 -18.249 8.092 1.00 0.00 C ATOM 667 CG MET A 43 -1.288 -17.273 8.987 1.00 0.00 C ATOM 668 SD MET A 43 -0.435 -16.972 10.547 1.00 0.00 S ATOM 669 CE MET A 43 0.153 -15.299 10.294 1.00 0.00 C ATOM 0 H MET A 43 0.289 -19.196 5.945 1.00 0.00 H new ATOM 0 HA MET A 43 -1.972 -19.783 7.619 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.033 -18.983 8.715 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.225 -17.709 7.540 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.417 -16.328 8.459 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.285 -17.662 9.192 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.132 -15.183 10.759 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.233 -15.099 9.225 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.548 -14.595 10.743 1.00 0.00 H new ATOM 679 N LEU A 44 -2.050 -17.162 5.612 1.00 0.00 N ATOM 680 CA LEU A 44 -2.940 -16.188 4.990 1.00 0.00 C ATOM 681 C LEU A 44 -3.613 -16.776 3.754 1.00 0.00 C ATOM 682 O LEU A 44 -4.416 -16.113 3.099 1.00 0.00 O ATOM 683 CB LEU A 44 -2.162 -14.927 4.610 1.00 0.00 C ATOM 684 CG LEU A 44 -1.336 -14.286 5.726 1.00 0.00 C ATOM 685 CD1 LEU A 44 -0.367 -13.264 5.153 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.247 -13.638 6.759 1.00 0.00 C ATOM 0 H LEU A 44 -1.086 -17.124 5.281 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.714 -15.927 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.493 -15.172 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.870 -14.186 4.238 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.758 -15.068 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.212 -12.818 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.307 -13.755 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.925 -12.485 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.642 -13.187 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.851 -12.868 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.901 -14.394 7.193 1.00 0.00 H new ATOM 698 N GLN A 45 -3.280 -18.025 3.443 1.00 0.00 N ATOM 699 CA GLN A 45 -3.854 -18.702 2.287 1.00 0.00 C ATOM 700 C GLN A 45 -3.410 -18.035 0.989 1.00 0.00 C ATOM 701 O GLN A 45 -4.161 -17.988 0.014 1.00 0.00 O ATOM 702 CB GLN A 45 -5.381 -18.704 2.376 1.00 0.00 C ATOM 703 CG GLN A 45 -5.912 -19.225 3.702 1.00 0.00 C ATOM 704 CD GLN A 45 -7.327 -18.760 3.987 1.00 0.00 C ATOM 705 OE1 GLN A 45 -8.160 -18.680 3.084 1.00 0.00 O ATOM 706 NE2 GLN A 45 -7.605 -18.450 5.248 1.00 0.00 N ATOM 0 H GLN A 45 -2.616 -18.588 3.975 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.496 -19.731 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.747 -17.689 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.783 -19.315 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.886 -20.315 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.256 -18.894 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.883 -18.531 5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.540 -18.131 5.500 1.00 0.00 H new ATOM 715 N LEU A 46 -2.186 -17.519 0.984 1.00 0.00 N ATOM 716 CA LEU A 46 -1.641 -16.853 -0.194 1.00 0.00 C ATOM 717 C LEU A 46 -0.529 -17.686 -0.825 1.00 0.00 C ATOM 718 O LEU A 46 -0.211 -18.776 -0.350 1.00 0.00 O ATOM 719 CB LEU A 46 -1.107 -15.469 0.180 1.00 0.00 C ATOM 720 CG LEU A 46 -2.102 -14.526 0.857 1.00 0.00 C ATOM 721 CD1 LEU A 46 -1.371 -13.383 1.544 1.00 0.00 C ATOM 722 CD2 LEU A 46 -3.103 -13.990 -0.156 1.00 0.00 C ATOM 0 H LEU A 46 -1.552 -17.549 1.782 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.444 -16.741 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.251 -15.599 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.739 -14.987 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.648 -15.088 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.095 -12.722 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.695 -13.785 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.798 -12.822 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.803 -13.321 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.574 -13.444 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.650 -14.821 -0.601 1.00 0.00 H new ATOM 734 N SER A 47 0.058 -17.164 -1.896 1.00 0.00 N ATOM 735 CA SER A 47 1.133 -17.861 -2.594 1.00 0.00 C ATOM 736 C SER A 47 2.490 -17.264 -2.233 1.00 0.00 C ATOM 737 O SER A 47 2.655 -16.045 -2.202 1.00 0.00 O ATOM 738 CB SER A 47 0.918 -17.790 -4.107 1.00 0.00 C ATOM 739 OG SER A 47 1.351 -16.544 -4.626 1.00 0.00 O ATOM 0 H SER A 47 -0.192 -16.261 -2.300 1.00 0.00 H new ATOM 0 HA SER A 47 1.119 -18.905 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.463 -18.599 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.138 -17.935 -4.335 1.00 0.00 H new ATOM 0 HG SER A 47 1.204 -16.524 -5.595 1.00 0.00 H new ATOM 745 N GLU A 48 3.459 -18.133 -1.961 1.00 0.00 N ATOM 746 CA GLU A 48 4.802 -17.693 -1.602 1.00 0.00 C ATOM 747 C GLU A 48 5.265 -16.561 -2.515 1.00 0.00 C ATOM 748 O GLU A 48 5.997 -15.667 -2.090 1.00 0.00 O ATOM 749 CB GLU A 48 5.785 -18.862 -1.681 1.00 0.00 C ATOM 750 CG GLU A 48 5.561 -19.919 -0.613 1.00 0.00 C ATOM 751 CD GLU A 48 4.576 -20.988 -1.046 1.00 0.00 C ATOM 752 OE1 GLU A 48 4.979 -21.889 -1.811 1.00 0.00 O ATOM 753 OE2 GLU A 48 3.404 -20.923 -0.622 1.00 0.00 O ATOM 0 H GLU A 48 3.339 -19.146 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 48 4.773 -17.322 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.705 -19.327 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.801 -18.478 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.514 -20.387 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.195 -19.440 0.295 1.00 0.00 H new ATOM 760 N ARG A 49 4.834 -16.608 -3.771 1.00 0.00 N ATOM 761 CA ARG A 49 5.206 -15.589 -4.745 1.00 0.00 C ATOM 762 C ARG A 49 4.485 -14.275 -4.460 1.00 0.00 C ATOM 763 O ARG A 49 5.040 -13.195 -4.662 1.00 0.00 O ATOM 764 CB ARG A 49 4.880 -16.064 -6.162 1.00 0.00 C ATOM 765 CG ARG A 49 5.221 -15.048 -7.239 1.00 0.00 C ATOM 766 CD ARG A 49 5.542 -15.724 -8.563 1.00 0.00 C ATOM 767 NE ARG A 49 5.774 -14.755 -9.631 1.00 0.00 N ATOM 768 CZ ARG A 49 5.644 -15.040 -10.922 1.00 0.00 C ATOM 769 NH1 ARG A 49 5.286 -16.258 -11.303 1.00 0.00 N ATOM 770 NH2 ARG A 49 5.872 -14.104 -11.835 1.00 0.00 N ATOM 0 H ARG A 49 4.227 -17.341 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 49 6.280 -15.420 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.424 -16.987 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.818 -16.301 -6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.383 -14.363 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.074 -14.450 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.425 -16.351 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.719 -16.382 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 49 6.051 -13.808 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.109 -16.980 -10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.187 -16.474 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.147 -13.165 -11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.772 -14.323 -12.826 1.00 0.00 H new ATOM 784 N GLN A 50 3.246 -14.376 -3.990 1.00 0.00 N ATOM 785 CA GLN A 50 2.448 -13.196 -3.678 1.00 0.00 C ATOM 786 C GLN A 50 2.991 -12.483 -2.443 1.00 0.00 C ATOM 787 O GLN A 50 2.865 -11.266 -2.311 1.00 0.00 O ATOM 788 CB GLN A 50 0.986 -13.586 -3.455 1.00 0.00 C ATOM 789 CG GLN A 50 0.157 -13.588 -4.729 1.00 0.00 C ATOM 790 CD GLN A 50 -1.326 -13.757 -4.460 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.058 -12.777 -4.317 1.00 0.00 O ATOM 792 NE2 GLN A 50 -1.777 -15.004 -4.389 1.00 0.00 N ATOM 0 H GLN A 50 2.773 -15.263 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 50 2.508 -12.513 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.948 -14.578 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.539 -12.894 -2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.321 -12.654 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.499 -14.393 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.135 -15.786 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.766 -15.179 -4.210 1.00 0.00 H new ATOM 801 N VAL A 51 3.594 -13.251 -1.540 1.00 0.00 N ATOM 802 CA VAL A 51 4.156 -12.693 -0.316 1.00 0.00 C ATOM 803 C VAL A 51 5.564 -12.157 -0.552 1.00 0.00 C ATOM 804 O VAL A 51 6.016 -11.243 0.137 1.00 0.00 O ATOM 805 CB VAL A 51 4.200 -13.742 0.810 1.00 0.00 C ATOM 806 CG1 VAL A 51 4.650 -13.105 2.116 1.00 0.00 C ATOM 807 CG2 VAL A 51 2.841 -14.406 0.972 1.00 0.00 C ATOM 0 H VAL A 51 3.705 -14.261 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 51 3.504 -11.873 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 51 4.925 -14.510 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.675 -13.862 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.646 -12.680 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.952 -12.316 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.890 -15.145 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.095 -13.651 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.563 -14.898 0.040 1.00 0.00 H new ATOM 817 N LYS A 52 6.253 -12.732 -1.532 1.00 0.00 N ATOM 818 CA LYS A 52 7.610 -12.313 -1.862 1.00 0.00 C ATOM 819 C LYS A 52 7.595 -11.084 -2.766 1.00 0.00 C ATOM 820 O LYS A 52 8.546 -10.302 -2.785 1.00 0.00 O ATOM 821 CB LYS A 52 8.366 -13.453 -2.547 1.00 0.00 C ATOM 822 CG LYS A 52 8.208 -13.467 -4.058 1.00 0.00 C ATOM 823 CD LYS A 52 9.267 -12.615 -4.737 1.00 0.00 C ATOM 824 CE LYS A 52 9.602 -13.143 -6.123 1.00 0.00 C ATOM 825 NZ LYS A 52 10.639 -12.313 -6.797 1.00 0.00 N ATOM 0 H LYS A 52 5.893 -13.490 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 52 8.119 -12.054 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.425 -13.374 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.015 -14.403 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.276 -14.492 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.217 -13.099 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.914 -11.587 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.169 -12.598 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.955 -14.171 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.699 -13.161 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.840 -12.706 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.293 -11.337 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.510 -12.316 -6.228 1.00 0.00 H new ATOM 839 N THR A 53 6.508 -10.917 -3.513 1.00 0.00 N ATOM 840 CA THR A 53 6.369 -9.784 -4.418 1.00 0.00 C ATOM 841 C THR A 53 5.817 -8.563 -3.690 1.00 0.00 C ATOM 842 O THR A 53 6.438 -7.500 -3.683 1.00 0.00 O ATOM 843 CB THR A 53 5.445 -10.121 -5.604 1.00 0.00 C ATOM 844 OG1 THR A 53 6.130 -10.969 -6.533 1.00 0.00 O ATOM 845 CG2 THR A 53 4.985 -8.854 -6.309 1.00 0.00 C ATOM 0 H THR A 53 5.711 -11.553 -3.509 1.00 0.00 H new ATOM 0 HA THR A 53 7.366 -9.559 -4.797 1.00 0.00 H new ATOM 0 HB THR A 53 4.568 -10.640 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.021 -11.905 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.334 -9.117 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.439 -8.225 -5.607 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.852 -8.311 -6.684 1.00 0.00 H new ATOM 853 N TRP A 54 4.649 -8.723 -3.079 1.00 0.00 N ATOM 854 CA TRP A 54 4.015 -7.633 -2.347 1.00 0.00 C ATOM 855 C TRP A 54 5.032 -6.888 -1.489 1.00 0.00 C ATOM 856 O TRP A 54 5.185 -5.672 -1.606 1.00 0.00 O ATOM 857 CB TRP A 54 2.885 -8.171 -1.467 1.00 0.00 C ATOM 858 CG TRP A 54 2.072 -7.093 -0.819 1.00 0.00 C ATOM 859 CD1 TRP A 54 0.912 -6.546 -1.289 1.00 0.00 C ATOM 860 CD2 TRP A 54 2.358 -6.429 0.417 1.00 0.00 C ATOM 861 NE1 TRP A 54 0.460 -5.583 -0.420 1.00 0.00 N ATOM 862 CE2 TRP A 54 1.329 -5.492 0.635 1.00 0.00 C ATOM 863 CE3 TRP A 54 3.383 -6.536 1.361 1.00 0.00 C ATOM 864 CZ2 TRP A 54 1.298 -4.669 1.757 1.00 0.00 C ATOM 865 CZ3 TRP A 54 3.350 -5.717 2.475 1.00 0.00 C ATOM 866 CH2 TRP A 54 2.313 -4.794 2.666 1.00 0.00 C ATOM 0 H TRP A 54 4.122 -9.596 -3.076 1.00 0.00 H new ATOM 0 HA TRP A 54 3.600 -6.935 -3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.229 -8.796 -2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.310 -8.810 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.422 -6.829 -2.209 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.386 -5.026 -0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.186 -7.245 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.500 -3.956 1.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.137 -5.790 3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.315 -4.170 3.547 1.00 0.00 H new ATOM 877 N PHE A 55 5.726 -7.625 -0.628 1.00 0.00 N ATOM 878 CA PHE A 55 6.729 -7.033 0.250 1.00 0.00 C ATOM 879 C PHE A 55 7.745 -6.225 -0.553 1.00 0.00 C ATOM 880 O PHE A 55 7.966 -5.045 -0.283 1.00 0.00 O ATOM 881 CB PHE A 55 7.445 -8.123 1.050 1.00 0.00 C ATOM 882 CG PHE A 55 6.703 -8.545 2.286 1.00 0.00 C ATOM 883 CD1 PHE A 55 5.430 -9.085 2.195 1.00 0.00 C ATOM 884 CD2 PHE A 55 7.278 -8.400 3.538 1.00 0.00 C ATOM 885 CE1 PHE A 55 4.744 -9.474 3.330 1.00 0.00 C ATOM 886 CE2 PHE A 55 6.597 -8.788 4.677 1.00 0.00 C ATOM 887 CZ PHE A 55 5.329 -9.325 4.573 1.00 0.00 C ATOM 0 H PHE A 55 5.612 -8.633 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 55 6.220 -6.361 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.594 -8.993 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.434 -7.763 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.969 -9.203 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.269 -7.979 3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.752 -9.894 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.056 -8.671 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.795 -9.628 5.462 1.00 0.00 H new ATOM 897 N GLN A 56 8.360 -6.871 -1.538 1.00 0.00 N ATOM 898 CA GLN A 56 9.354 -6.213 -2.379 1.00 0.00 C ATOM 899 C GLN A 56 8.855 -4.849 -2.845 1.00 0.00 C ATOM 900 O GLN A 56 9.521 -3.834 -2.647 1.00 0.00 O ATOM 901 CB GLN A 56 9.689 -7.088 -3.588 1.00 0.00 C ATOM 902 CG GLN A 56 10.840 -8.049 -3.343 1.00 0.00 C ATOM 903 CD GLN A 56 11.522 -8.482 -4.626 1.00 0.00 C ATOM 904 OE1 GLN A 56 10.981 -8.310 -5.719 1.00 0.00 O ATOM 905 NE2 GLN A 56 12.717 -9.048 -4.500 1.00 0.00 N ATOM 0 H GLN A 56 8.188 -7.848 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 56 10.256 -6.066 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.804 -7.659 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.936 -6.446 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.572 -7.574 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.468 -8.929 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.128 -9.171 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.224 -9.360 -5.329 1.00 0.00 H new ATOM 914 N ASN A 57 7.680 -4.835 -3.466 1.00 0.00 N ATOM 915 CA ASN A 57 7.093 -3.595 -3.961 1.00 0.00 C ATOM 916 C ASN A 57 6.781 -2.643 -2.811 1.00 0.00 C ATOM 917 O ASN A 57 6.851 -1.423 -2.965 1.00 0.00 O ATOM 918 CB ASN A 57 5.817 -3.891 -4.753 1.00 0.00 C ATOM 919 CG ASN A 57 6.110 -4.416 -6.145 1.00 0.00 C ATOM 920 OD1 ASN A 57 7.246 -4.360 -6.616 1.00 0.00 O ATOM 921 ND2 ASN A 57 5.082 -4.928 -6.812 1.00 0.00 N ATOM 0 H ASN A 57 7.116 -5.667 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 57 7.819 -3.116 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.217 -4.622 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.220 -2.982 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.217 -5.295 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.157 -4.954 -6.382 1.00 0.00 H new ATOM 928 N ARG A 58 6.438 -3.208 -1.658 1.00 0.00 N ATOM 929 CA ARG A 58 6.115 -2.410 -0.482 1.00 0.00 C ATOM 930 C ARG A 58 7.295 -1.529 -0.082 1.00 0.00 C ATOM 931 O ARG A 58 7.172 -0.307 -0.007 1.00 0.00 O ATOM 932 CB ARG A 58 5.724 -3.318 0.685 1.00 0.00 C ATOM 933 CG ARG A 58 5.066 -2.578 1.839 1.00 0.00 C ATOM 934 CD ARG A 58 3.975 -1.640 1.349 1.00 0.00 C ATOM 935 NE ARG A 58 3.154 -2.252 0.307 1.00 0.00 N ATOM 936 CZ ARG A 58 2.150 -1.628 -0.299 1.00 0.00 C ATOM 937 NH1 ARG A 58 1.845 -0.381 0.031 1.00 0.00 N ATOM 938 NH2 ARG A 58 1.450 -2.252 -1.238 1.00 0.00 N ATOM 0 H ARG A 58 6.377 -4.216 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 58 5.271 -1.766 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.043 -4.088 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.615 -3.828 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.641 -3.297 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.819 -2.009 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.341 -1.352 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.428 -0.727 0.964 1.00 0.00 H new ATOM 0 HE ARG A 58 3.363 -3.211 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.382 0.102 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.074 0.096 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.683 -3.211 -1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.679 -1.772 -1.703 1.00 0.00 H new ATOM 952 N ARG A 59 8.437 -2.159 0.174 1.00 0.00 N ATOM 953 CA ARG A 59 9.638 -1.433 0.568 1.00 0.00 C ATOM 954 C ARG A 59 9.902 -0.264 -0.377 1.00 0.00 C ATOM 955 O ARG A 59 9.919 0.893 0.041 1.00 0.00 O ATOM 956 CB ARG A 59 10.846 -2.373 0.583 1.00 0.00 C ATOM 957 CG ARG A 59 11.926 -1.960 1.569 1.00 0.00 C ATOM 958 CD ARG A 59 13.274 -2.563 1.204 1.00 0.00 C ATOM 959 NE ARG A 59 14.385 -1.802 1.769 1.00 0.00 N ATOM 960 CZ ARG A 59 15.623 -1.843 1.289 1.00 0.00 C ATOM 961 NH1 ARG A 59 15.906 -2.604 0.241 1.00 0.00 N ATOM 962 NH2 ARG A 59 16.580 -1.122 1.858 1.00 0.00 N ATOM 0 H ARG A 59 8.556 -3.170 0.116 1.00 0.00 H new ATOM 0 HA ARG A 59 9.480 -1.038 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.509 -3.380 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.276 -2.414 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.006 -0.873 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.644 -2.277 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.320 -3.591 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.373 -2.598 0.119 1.00 0.00 H new ATOM 0 HE ARG A 59 14.200 -1.206 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.172 -3.160 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.857 -2.634 -0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.366 -0.536 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.530 -1.154 1.489 1.00 0.00 H new ATOM 976 N ALA A 60 10.107 -0.576 -1.653 1.00 0.00 N ATOM 977 CA ALA A 60 10.367 0.448 -2.657 1.00 0.00 C ATOM 978 C ALA A 60 9.481 1.670 -2.438 1.00 0.00 C ATOM 979 O ALA A 60 9.846 2.788 -2.802 1.00 0.00 O ATOM 980 CB ALA A 60 10.156 -0.117 -4.054 1.00 0.00 C ATOM 0 H ALA A 60 10.098 -1.529 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 60 11.406 0.763 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.354 0.659 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.836 -0.954 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.127 -0.461 -4.156 1.00 0.00 H new ATOM 986 N LYS A 61 8.314 1.449 -1.843 1.00 0.00 N ATOM 987 CA LYS A 61 7.374 2.531 -1.575 1.00 0.00 C ATOM 988 C LYS A 61 7.611 3.127 -0.191 1.00 0.00 C ATOM 989 O LYS A 61 7.563 4.344 -0.013 1.00 0.00 O ATOM 990 CB LYS A 61 5.935 2.023 -1.684 1.00 0.00 C ATOM 991 CG LYS A 61 5.358 2.126 -3.086 1.00 0.00 C ATOM 992 CD LYS A 61 3.849 1.945 -3.082 1.00 0.00 C ATOM 993 CE LYS A 61 3.141 3.178 -2.542 1.00 0.00 C ATOM 994 NZ LYS A 61 1.672 2.964 -2.418 1.00 0.00 N ATOM 0 H LYS A 61 7.996 0.529 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 61 7.534 3.311 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.901 0.982 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.305 2.590 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.608 3.097 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.814 1.370 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.503 1.740 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.587 1.079 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.554 3.436 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.330 4.024 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.226 3.827 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.273 2.743 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.490 2.173 -1.768 1.00 0.00 H new ATOM 1008 N TRP A 62 7.867 2.263 0.783 1.00 0.00 N ATOM 1009 CA TRP A 62 8.113 2.705 2.152 1.00 0.00 C ATOM 1010 C TRP A 62 9.334 3.616 2.218 1.00 0.00 C ATOM 1011 O TRP A 62 9.368 4.567 2.999 1.00 0.00 O ATOM 1012 CB TRP A 62 8.310 1.498 3.071 1.00 0.00 C ATOM 1013 CG TRP A 62 9.132 1.806 4.286 1.00 0.00 C ATOM 1014 CD1 TRP A 62 8.695 2.377 5.448 1.00 0.00 C ATOM 1015 CD2 TRP A 62 10.532 1.562 4.459 1.00 0.00 C ATOM 1016 NE1 TRP A 62 9.740 2.502 6.332 1.00 0.00 N ATOM 1017 CE2 TRP A 62 10.877 2.009 5.749 1.00 0.00 C ATOM 1018 CE3 TRP A 62 11.527 1.008 3.649 1.00 0.00 C ATOM 1019 CZ2 TRP A 62 12.175 1.918 6.245 1.00 0.00 C ATOM 1020 CZ3 TRP A 62 12.815 0.919 4.143 1.00 0.00 C ATOM 1021 CH2 TRP A 62 13.130 1.371 5.431 1.00 0.00 C ATOM 0 H TRP A 62 7.910 1.252 0.652 1.00 0.00 H new ATOM 0 HA TRP A 62 7.243 3.270 2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.335 1.126 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.790 0.697 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.678 2.685 5.643 1.00 0.00 H new ATOM 0 HE1 TRP A 62 9.679 2.898 7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 62 11.294 0.656 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 12.420 2.267 7.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.592 0.494 3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 62 14.146 1.286 5.789 1.00 0.00 H new ATOM 1032 N ARG A 63 10.334 3.319 1.395 1.00 0.00 N ATOM 1033 CA ARG A 63 11.557 4.112 1.362 1.00 0.00 C ATOM 1034 C ARG A 63 11.255 5.563 1.001 1.00 0.00 C ATOM 1035 O ARG A 63 11.676 6.487 1.697 1.00 0.00 O ATOM 1036 CB ARG A 63 12.546 3.520 0.356 1.00 0.00 C ATOM 1037 CG ARG A 63 13.431 2.431 0.941 1.00 0.00 C ATOM 1038 CD ARG A 63 14.541 2.039 -0.022 1.00 0.00 C ATOM 1039 NE ARG A 63 14.016 1.527 -1.284 1.00 0.00 N ATOM 1040 CZ ARG A 63 14.722 1.478 -2.408 1.00 0.00 C ATOM 1041 NH1 ARG A 63 15.977 1.907 -2.426 1.00 0.00 N ATOM 1042 NH2 ARG A 63 14.174 0.998 -3.517 1.00 0.00 N ATOM 0 H ARG A 63 10.322 2.535 0.742 1.00 0.00 H new ATOM 0 HA ARG A 63 12.002 4.089 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.991 3.111 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.177 4.319 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.866 2.778 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.826 1.556 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.174 2.905 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.172 1.281 0.442 1.00 0.00 H new ATOM 0 HE ARG A 63 13.054 1.188 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.402 2.276 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.517 1.868 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.210 0.666 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.717 0.961 -4.380 1.00 0.00 H new ATOM 1056 N ARG A 64 10.523 5.756 -0.092 1.00 0.00 N ATOM 1057 CA ARG A 64 10.166 7.094 -0.546 1.00 0.00 C ATOM 1058 C ARG A 64 9.473 7.878 0.564 1.00 0.00 C ATOM 1059 O ARG A 64 9.831 9.022 0.847 1.00 0.00 O ATOM 1060 CB ARG A 64 9.256 7.014 -1.773 1.00 0.00 C ATOM 1061 CG ARG A 64 8.852 8.372 -2.322 1.00 0.00 C ATOM 1062 CD ARG A 64 8.193 8.248 -3.687 1.00 0.00 C ATOM 1063 NE ARG A 64 9.165 7.972 -4.741 1.00 0.00 N ATOM 1064 CZ ARG A 64 8.830 7.602 -5.972 1.00 0.00 C ATOM 1065 NH1 ARG A 64 7.553 7.465 -6.302 1.00 0.00 N ATOM 1066 NH2 ARG A 64 9.773 7.369 -6.876 1.00 0.00 N ATOM 0 H ARG A 64 10.166 5.002 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 64 11.084 7.615 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.765 6.452 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.357 6.455 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.165 8.856 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.732 9.011 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.451 7.450 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.660 9.171 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 64 10.156 8.069 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.825 7.644 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.298 7.181 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.756 7.474 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.515 7.085 -7.821 1.00 0.00 H new ATOM 1080 N SER A 65 8.478 7.256 1.189 1.00 0.00 N ATOM 1081 CA SER A 65 7.732 7.897 2.265 1.00 0.00 C ATOM 1082 C SER A 65 8.662 8.309 3.402 1.00 0.00 C ATOM 1083 O SER A 65 8.522 9.389 3.974 1.00 0.00 O ATOM 1084 CB SER A 65 6.648 6.955 2.794 1.00 0.00 C ATOM 1085 OG SER A 65 6.002 7.507 3.928 1.00 0.00 O ATOM 0 H SER A 65 8.170 6.309 0.968 1.00 0.00 H new ATOM 0 HA SER A 65 7.260 8.793 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.914 6.764 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.092 5.995 3.056 1.00 0.00 H new ATOM 0 HG SER A 65 5.313 6.887 4.246 1.00 0.00 H new ATOM 1091 N GLY A 66 9.615 7.438 3.723 1.00 0.00 N ATOM 1092 CA GLY A 66 10.555 7.728 4.790 1.00 0.00 C ATOM 1093 C GLY A 66 11.568 8.786 4.398 1.00 0.00 C ATOM 1094 O GLY A 66 11.339 9.591 3.496 1.00 0.00 O ATOM 0 H GLY A 66 9.752 6.538 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.008 8.062 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.078 6.813 5.068 1.00 0.00 H new ATOM 1098 N PRO A 67 12.718 8.794 5.088 1.00 0.00 N ATOM 1099 CA PRO A 67 13.792 9.756 4.826 1.00 0.00 C ATOM 1100 C PRO A 67 14.482 9.505 3.489 1.00 0.00 C ATOM 1101 O PRO A 67 14.299 8.456 2.873 1.00 0.00 O ATOM 1102 CB PRO A 67 14.768 9.523 5.982 1.00 0.00 C ATOM 1103 CG PRO A 67 14.524 8.116 6.407 1.00 0.00 C ATOM 1104 CD PRO A 67 13.059 7.863 6.177 1.00 0.00 C ATOM 0 HA PRO A 67 13.417 10.778 4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.800 9.667 5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.587 10.221 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.135 7.422 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.785 7.974 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.870 6.827 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.472 8.061 7.074 1.00 0.00 H new ATOM 1112 N SER A 68 15.276 10.475 3.047 1.00 0.00 N ATOM 1113 CA SER A 68 15.991 10.360 1.781 1.00 0.00 C ATOM 1114 C SER A 68 17.487 10.582 1.980 1.00 0.00 C ATOM 1115 O SER A 68 18.301 9.710 1.675 1.00 0.00 O ATOM 1116 CB SER A 68 15.444 11.369 0.769 1.00 0.00 C ATOM 1117 OG SER A 68 16.074 11.219 -0.492 1.00 0.00 O ATOM 0 H SER A 68 15.440 11.349 3.546 1.00 0.00 H new ATOM 0 HA SER A 68 15.839 9.351 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.368 11.233 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.601 12.382 1.139 1.00 0.00 H new ATOM 0 HG SER A 68 15.706 11.874 -1.121 1.00 0.00 H new ATOM 1123 N SER A 69 17.842 11.755 2.493 1.00 0.00 N ATOM 1124 CA SER A 69 19.240 12.095 2.730 1.00 0.00 C ATOM 1125 C SER A 69 19.877 11.119 3.715 1.00 0.00 C ATOM 1126 O SER A 69 19.250 10.705 4.689 1.00 0.00 O ATOM 1127 CB SER A 69 19.356 13.524 3.263 1.00 0.00 C ATOM 1128 OG SER A 69 20.713 13.917 3.377 1.00 0.00 O ATOM 0 H SER A 69 17.180 12.487 2.753 1.00 0.00 H new ATOM 0 HA SER A 69 19.771 12.025 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.831 14.208 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.871 13.593 4.237 1.00 0.00 H new ATOM 0 HG SER A 69 20.760 14.835 3.718 1.00 0.00 H new ATOM 1134 N GLY A 70 21.129 10.756 3.453 1.00 0.00 N ATOM 1135 CA GLY A 70 21.831 9.832 4.324 1.00 0.00 C ATOM 1136 C GLY A 70 23.109 9.306 3.702 1.00 0.00 C ATOM 1137 O GLY A 70 24.207 9.631 4.154 1.00 0.00 O ATOM 0 H GLY A 70 21.669 11.085 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 70 22.067 10.331 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.176 8.995 4.564 1.00 0.00 H new TER 1141 GLY A 70