USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 555 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 56 GLN :FLIP amide:sc= -7.92! C(o=-16!,f=-11!) USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -2.62! C(o=-17!,f=-11!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 53 TYR OH : rot 165:sc= 0.989 USER MOD Set 3.1: A 45 ASN : amide:sc= -0.521 X(o=-1.1,f=-1.3) USER MOD Set 3.2: A 49 ASN :FLIP amide:sc= -0.627 F(o=-2.2,f=-1.1) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 44 THR OG1 : rot -124:sc= -3.46! USER MOD Set 5.1: A 15 ASN :FLIP amide:sc= -7.23! C(o=-15!,f=-9.6!) USER MOD Set 5.2: A 16 GLN :FLIP amide:sc= -2.32 F(o=-16!,f=-9.6) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.166 (180deg=-0.736) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.896 (180deg=0.614!) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -1.36 (180deg=-3.54!) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0731 (180deg=-0.442) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 43:sc= -0.0218 USER MOD Single : A 27 GLN :FLIP amide:sc= -5.7! C(o=-11!,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.298) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= -4.97! (180deg=-5.2!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 86:sc= 0.795 USER MOD Single : A 60 THR OG1 : rot 52:sc= -0.743 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.566 11.356 6.785 1.00 0.00 N ATOM 2 CA MET A 1 -5.416 10.155 5.923 1.00 0.00 C ATOM 3 C MET A 1 -4.958 8.948 6.736 1.00 0.00 C ATOM 4 O MET A 1 -3.943 8.326 6.426 1.00 0.00 O ATOM 5 CB MET A 1 -4.397 10.464 4.818 1.00 0.00 C ATOM 6 CG MET A 1 -4.858 11.526 3.831 1.00 0.00 C ATOM 7 SD MET A 1 -5.066 13.151 4.588 1.00 0.00 S ATOM 8 CE MET A 1 -3.402 13.468 5.174 1.00 0.00 C ATOM 0 H1 MET A 1 -5.627 12.206 6.189 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.432 11.269 7.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.744 11.435 7.417 1.00 0.00 H new ATOM 0 HA MET A 1 -6.383 9.910 5.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.465 10.791 5.279 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.178 9.546 4.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.133 11.599 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.803 11.215 3.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.272 14.538 5.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.238 12.935 6.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.683 13.125 4.430 1.00 0.00 H new ATOM 20 N ARG A 2 -5.715 8.622 7.780 1.00 0.00 N ATOM 21 CA ARG A 2 -5.383 7.489 8.636 1.00 0.00 C ATOM 22 C ARG A 2 -5.999 6.200 8.105 1.00 0.00 C ATOM 23 O ARG A 2 -6.670 5.473 8.838 1.00 0.00 O ATOM 24 CB ARG A 2 -5.857 7.738 10.070 1.00 0.00 C ATOM 25 CG ARG A 2 -5.177 8.919 10.743 1.00 0.00 C ATOM 26 CD ARG A 2 -3.662 8.718 10.832 1.00 0.00 C ATOM 27 NE ARG A 2 -3.313 7.559 11.650 1.00 0.00 N ATOM 28 CZ ARG A 2 -3.580 7.462 12.950 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.187 8.456 13.584 1.00 0.00 N ATOM 30 NH2 ARG A 2 -3.236 6.369 13.618 1.00 0.00 N ATOM 0 H ARG A 2 -6.560 9.125 8.052 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.298 7.381 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.934 7.906 10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.678 6.841 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.392 9.830 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.587 9.054 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.253 8.591 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.201 9.612 11.253 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.837 6.778 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.451 9.300 13.075 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.390 8.377 14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.767 5.603 13.135 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.441 6.295 14.614 1.00 0.00 H new ATOM 44 N LYS A 3 -5.760 5.914 6.829 1.00 0.00 N ATOM 45 CA LYS A 3 -6.286 4.702 6.215 1.00 0.00 C ATOM 46 C LYS A 3 -5.213 3.620 6.199 1.00 0.00 C ATOM 47 O LYS A 3 -4.684 3.265 5.145 1.00 0.00 O ATOM 48 CB LYS A 3 -6.774 4.982 4.796 1.00 0.00 C ATOM 49 CG LYS A 3 -7.660 3.878 4.250 1.00 0.00 C ATOM 50 CD LYS A 3 -8.431 4.333 3.026 1.00 0.00 C ATOM 51 CE LYS A 3 -9.408 3.266 2.570 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.190 3.697 1.379 1.00 0.00 N ATOM 0 H LYS A 3 -5.209 6.502 6.204 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.134 4.355 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.325 5.922 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.913 5.109 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.048 3.013 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.359 3.557 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.971 5.252 3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.736 4.563 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.863 2.352 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.091 3.028 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.845 2.939 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.731 4.554 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.541 3.900 0.592 1.00 0.00 H new ATOM 66 N LYS A 4 -4.897 3.105 7.381 1.00 0.00 N ATOM 67 CA LYS A 4 -3.892 2.069 7.526 1.00 0.00 C ATOM 68 C LYS A 4 -4.545 0.696 7.591 1.00 0.00 C ATOM 69 O LYS A 4 -5.552 0.517 8.277 1.00 0.00 O ATOM 70 CB LYS A 4 -3.041 2.308 8.780 1.00 0.00 C ATOM 71 CG LYS A 4 -3.856 2.538 10.057 1.00 0.00 C ATOM 72 CD LYS A 4 -4.393 3.961 10.127 1.00 0.00 C ATOM 73 CE LYS A 4 -5.184 4.205 11.403 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.369 3.939 12.620 1.00 0.00 N ATOM 0 H LYS A 4 -5.329 3.394 8.259 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.240 2.106 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.386 1.450 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.400 3.173 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.686 1.833 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.232 2.340 10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.563 4.666 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.029 4.152 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.536 5.236 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.067 3.566 11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.715 4.527 13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.449 2.935 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.373 4.169 12.428 1.00 0.00 H new ATOM 88 N LEU A 5 -3.978 -0.276 6.881 1.00 0.00 N ATOM 89 CA LEU A 5 -4.531 -1.618 6.881 1.00 0.00 C ATOM 90 C LEU A 5 -3.454 -2.660 6.607 1.00 0.00 C ATOM 91 O LEU A 5 -2.404 -2.351 6.044 1.00 0.00 O ATOM 92 CB LEU A 5 -5.683 -1.741 5.861 1.00 0.00 C ATOM 93 CG LEU A 5 -5.323 -1.581 4.368 1.00 0.00 C ATOM 94 CD1 LEU A 5 -4.559 -0.283 4.120 1.00 0.00 C ATOM 95 CD2 LEU A 5 -4.521 -2.771 3.857 1.00 0.00 C ATOM 0 H LEU A 5 -3.144 -0.157 6.305 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.935 -1.808 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.149 -2.718 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.436 -0.993 6.109 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.261 -1.540 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.320 -0.199 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.174 0.565 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.637 -0.287 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.285 -2.625 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.596 -2.858 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.107 -3.682 3.975 1.00 0.00 H new ATOM 107 N ASP A 6 -3.731 -3.897 7.002 1.00 0.00 N ATOM 108 CA ASP A 6 -2.797 -4.994 6.794 1.00 0.00 C ATOM 109 C ASP A 6 -2.656 -5.292 5.298 1.00 0.00 C ATOM 110 O ASP A 6 -3.477 -6.017 4.743 1.00 0.00 O ATOM 111 CB ASP A 6 -3.292 -6.246 7.524 1.00 0.00 C ATOM 112 CG ASP A 6 -2.316 -7.403 7.428 1.00 0.00 C ATOM 113 OD1 ASP A 6 -1.236 -7.224 6.825 1.00 0.00 O ATOM 114 OD2 ASP A 6 -2.631 -8.489 7.959 1.00 0.00 O ATOM 0 H ASP A 6 -4.597 -4.165 7.469 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.824 -4.706 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.463 -6.006 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.252 -6.550 7.106 1.00 0.00 H new ATOM 119 N LEU A 7 -1.634 -4.727 4.640 1.00 0.00 N ATOM 120 CA LEU A 7 -1.439 -4.958 3.203 1.00 0.00 C ATOM 121 C LEU A 7 -1.737 -6.416 2.870 1.00 0.00 C ATOM 122 O LEU A 7 -2.366 -6.713 1.859 1.00 0.00 O ATOM 123 CB LEU A 7 -0.002 -4.620 2.761 1.00 0.00 C ATOM 124 CG LEU A 7 0.151 -4.115 1.312 1.00 0.00 C ATOM 125 CD1 LEU A 7 -0.555 -5.030 0.333 1.00 0.00 C ATOM 126 CD2 LEU A 7 -0.365 -2.687 1.163 1.00 0.00 C ATOM 0 H LEU A 7 -0.940 -4.117 5.072 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.124 -4.301 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.397 -3.861 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.615 -5.510 2.883 1.00 0.00 H new ATOM 0 HG LEU A 7 1.216 -4.120 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.428 -4.647 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.128 -6.031 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.617 -5.072 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.242 -2.362 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.421 -2.652 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.199 -2.026 1.821 1.00 0.00 H new ATOM 138 N LYS A 8 -1.288 -7.318 3.739 1.00 0.00 N ATOM 139 CA LYS A 8 -1.513 -8.748 3.546 1.00 0.00 C ATOM 140 C LYS A 8 -2.981 -9.034 3.256 1.00 0.00 C ATOM 141 O LYS A 8 -3.302 -9.728 2.296 1.00 0.00 O ATOM 142 CB LYS A 8 -1.046 -9.539 4.775 1.00 0.00 C ATOM 143 CG LYS A 8 -1.547 -10.981 4.834 1.00 0.00 C ATOM 144 CD LYS A 8 -1.021 -11.849 3.701 1.00 0.00 C ATOM 145 CE LYS A 8 0.475 -12.086 3.830 1.00 0.00 C ATOM 146 NZ LYS A 8 0.822 -12.771 5.106 1.00 0.00 N ATOM 0 H LYS A 8 -0.766 -7.084 4.584 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.927 -9.068 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.044 -9.546 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.376 -9.017 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.252 -11.422 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.637 -10.981 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.543 -12.806 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.234 -11.370 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.821 -12.688 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.999 -11.132 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.767 -13.198 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.820 -12.080 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.122 -13.514 5.302 1.00 0.00 H new ATOM 160 N LYS A 9 -3.870 -8.493 4.083 1.00 0.00 N ATOM 161 CA LYS A 9 -5.305 -8.699 3.895 1.00 0.00 C ATOM 162 C LYS A 9 -5.751 -8.117 2.553 1.00 0.00 C ATOM 163 O LYS A 9 -6.645 -8.652 1.900 1.00 0.00 O ATOM 164 CB LYS A 9 -6.111 -8.049 5.032 1.00 0.00 C ATOM 165 CG LYS A 9 -6.252 -6.539 4.908 1.00 0.00 C ATOM 166 CD LYS A 9 -7.712 -6.109 4.895 1.00 0.00 C ATOM 167 CE LYS A 9 -8.451 -6.652 3.679 1.00 0.00 C ATOM 168 NZ LYS A 9 -9.880 -6.235 3.665 1.00 0.00 N ATOM 0 H LYS A 9 -3.626 -7.912 4.885 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.494 -9.773 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.105 -8.495 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.631 -8.282 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.738 -6.056 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.765 -6.202 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.202 -6.458 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.770 -5.021 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.962 -6.301 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.390 -7.740 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.347 -6.625 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.354 -6.591 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.939 -5.197 3.644 1.00 0.00 H new ATOM 182 N PHE A 10 -5.118 -7.013 2.152 1.00 0.00 N ATOM 183 CA PHE A 10 -5.449 -6.356 0.891 1.00 0.00 C ATOM 184 C PHE A 10 -5.005 -7.220 -0.286 1.00 0.00 C ATOM 185 O PHE A 10 -5.744 -7.406 -1.253 1.00 0.00 O ATOM 186 CB PHE A 10 -4.796 -4.970 0.821 1.00 0.00 C ATOM 187 CG PHE A 10 -5.277 -4.112 -0.331 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.637 -3.891 -0.528 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.376 -3.516 -1.212 1.00 0.00 C ATOM 190 CE1 PHE A 10 -7.083 -3.104 -1.572 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.826 -2.728 -2.255 1.00 0.00 C ATOM 192 CZ PHE A 10 -6.178 -2.523 -2.434 1.00 0.00 C ATOM 0 H PHE A 10 -4.375 -6.558 2.682 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.530 -6.227 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.988 -4.443 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.716 -5.094 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.353 -4.341 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.316 -3.671 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.142 -2.944 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.118 -2.272 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.528 -1.907 -3.250 1.00 0.00 H new ATOM 202 N VAL A 11 -3.799 -7.765 -0.173 1.00 0.00 N ATOM 203 CA VAL A 11 -3.241 -8.640 -1.196 1.00 0.00 C ATOM 204 C VAL A 11 -4.044 -9.926 -1.278 1.00 0.00 C ATOM 205 O VAL A 11 -4.322 -10.447 -2.357 1.00 0.00 O ATOM 206 CB VAL A 11 -1.778 -9.012 -0.872 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.307 -10.133 -1.768 1.00 0.00 C ATOM 208 CG2 VAL A 11 -0.872 -7.805 -1.003 1.00 0.00 C ATOM 0 H VAL A 11 -3.184 -7.614 0.626 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.281 -8.102 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.734 -9.355 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.274 -10.383 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.937 -11.009 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.370 -9.817 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.153 -8.093 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.919 -7.424 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.198 -7.029 -0.310 1.00 0.00 H new ATOM 218 N GLU A 12 -4.383 -10.429 -0.106 1.00 0.00 N ATOM 219 CA GLU A 12 -5.131 -11.669 0.030 1.00 0.00 C ATOM 220 C GLU A 12 -6.429 -11.659 -0.773 1.00 0.00 C ATOM 221 O GLU A 12 -6.993 -12.716 -1.056 1.00 0.00 O ATOM 222 CB GLU A 12 -5.413 -11.942 1.506 1.00 0.00 C ATOM 223 CG GLU A 12 -4.192 -12.444 2.262 1.00 0.00 C ATOM 224 CD GLU A 12 -3.746 -13.822 1.809 1.00 0.00 C ATOM 225 OE1 GLU A 12 -3.380 -13.972 0.625 1.00 0.00 O ATOM 226 OE2 GLU A 12 -3.761 -14.753 2.643 1.00 0.00 O ATOM 0 H GLU A 12 -4.147 -9.989 0.783 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.517 -12.471 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.774 -11.027 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.212 -12.679 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.372 -11.739 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.417 -12.472 3.328 1.00 0.00 H new ATOM 233 N ASP A 13 -6.899 -10.472 -1.147 1.00 0.00 N ATOM 234 CA ASP A 13 -8.126 -10.358 -1.927 1.00 0.00 C ATOM 235 C ASP A 13 -8.003 -11.176 -3.211 1.00 0.00 C ATOM 236 O ASP A 13 -8.931 -11.882 -3.607 1.00 0.00 O ATOM 237 CB ASP A 13 -8.424 -8.891 -2.253 1.00 0.00 C ATOM 238 CG ASP A 13 -9.762 -8.709 -2.946 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.460 -9.720 -3.170 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.112 -7.553 -3.264 1.00 0.00 O ATOM 0 H ASP A 13 -6.452 -9.582 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.954 -10.750 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.413 -8.308 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.632 -8.496 -2.889 1.00 0.00 H new ATOM 245 N LYS A 14 -6.833 -11.091 -3.838 1.00 0.00 N ATOM 246 CA LYS A 14 -6.550 -11.835 -5.062 1.00 0.00 C ATOM 247 C LYS A 14 -5.088 -12.277 -5.074 1.00 0.00 C ATOM 248 O LYS A 14 -4.788 -13.464 -5.202 1.00 0.00 O ATOM 249 CB LYS A 14 -6.853 -10.992 -6.307 1.00 0.00 C ATOM 250 CG LYS A 14 -8.329 -10.618 -6.458 1.00 0.00 C ATOM 251 CD LYS A 14 -8.659 -10.190 -7.886 1.00 0.00 C ATOM 252 CE LYS A 14 -7.692 -9.135 -8.411 1.00 0.00 C ATOM 253 NZ LYS A 14 -8.122 -8.594 -9.729 1.00 0.00 N ATOM 0 H LYS A 14 -6.060 -10.509 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.195 -12.713 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.259 -10.079 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.535 -11.542 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.951 -11.469 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.572 -9.808 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.632 -11.062 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.675 -9.797 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.618 -8.320 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.697 -9.569 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.438 -7.880 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.168 -9.367 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.061 -8.157 -9.635 1.00 0.00 H new ATOM 267 N ASN A 15 -4.192 -11.301 -4.920 1.00 0.00 N ATOM 268 CA ASN A 15 -2.752 -11.542 -4.890 1.00 0.00 C ATOM 269 C ASN A 15 -2.017 -10.204 -4.950 1.00 0.00 C ATOM 270 O ASN A 15 -2.628 -9.151 -4.773 1.00 0.00 O ATOM 271 CB ASN A 15 -2.308 -12.445 -6.050 1.00 0.00 C ATOM 272 CG ASN A 15 -2.229 -11.699 -7.367 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.030 -11.619 -7.940 1.00 0.00 O flip ATOM 274 ND2 ASN A 15 -3.236 -11.195 -7.865 1.00 0.00 N flip ATOM 0 H ASN A 15 -4.447 -10.319 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.506 -12.058 -3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.333 -12.874 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.007 -13.276 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.136 -11.280 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.170 -10.693 -8.750 1.00 0.00 H new ATOM 281 N GLN A 16 -0.712 -10.240 -5.197 1.00 0.00 N ATOM 282 CA GLN A 16 0.075 -9.011 -5.272 1.00 0.00 C ATOM 283 C GLN A 16 -0.257 -8.206 -6.523 1.00 0.00 C ATOM 284 O GLN A 16 0.087 -7.030 -6.622 1.00 0.00 O ATOM 285 CB GLN A 16 1.577 -9.314 -5.205 1.00 0.00 C ATOM 286 CG GLN A 16 1.972 -10.713 -5.670 1.00 0.00 C ATOM 287 CD GLN A 16 1.793 -11.001 -7.163 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.308 -10.036 -7.942 1.00 0.00 O flip ATOM 289 NE2 GLN A 16 2.095 -12.105 -7.616 1.00 0.00 N flip ATOM 0 H GLN A 16 -0.180 -11.097 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.191 -8.403 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.108 -8.582 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.914 -9.180 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.018 -10.878 -5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.386 -11.440 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.465 -12.827 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.976 -12.298 -8.610 1.00 0.00 H new ATOM 298 N GLU A 17 -0.924 -8.848 -7.475 1.00 0.00 N ATOM 299 CA GLU A 17 -1.299 -8.192 -8.716 1.00 0.00 C ATOM 300 C GLU A 17 -2.353 -7.126 -8.452 1.00 0.00 C ATOM 301 O GLU A 17 -2.258 -6.003 -8.946 1.00 0.00 O ATOM 302 CB GLU A 17 -1.832 -9.217 -9.715 1.00 0.00 C ATOM 303 CG GLU A 17 -2.108 -8.627 -11.080 1.00 0.00 C ATOM 304 CD GLU A 17 -2.697 -9.634 -12.050 1.00 0.00 C ATOM 305 OE1 GLU A 17 -2.893 -10.801 -11.650 1.00 0.00 O ATOM 306 OE2 GLU A 17 -2.962 -9.255 -13.210 1.00 0.00 O ATOM 0 H GLU A 17 -1.215 -9.823 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.414 -7.715 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.110 -10.027 -9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.750 -9.655 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.794 -7.787 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.180 -8.231 -11.494 1.00 0.00 H new ATOM 313 N TYR A 18 -3.357 -7.491 -7.663 1.00 0.00 N ATOM 314 CA TYR A 18 -4.440 -6.575 -7.315 1.00 0.00 C ATOM 315 C TYR A 18 -3.920 -5.434 -6.457 1.00 0.00 C ATOM 316 O TYR A 18 -4.270 -4.271 -6.660 1.00 0.00 O ATOM 317 CB TYR A 18 -5.546 -7.316 -6.555 1.00 0.00 C ATOM 318 CG TYR A 18 -6.617 -6.412 -5.970 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.281 -5.473 -6.756 1.00 0.00 C ATOM 320 CD2 TYR A 18 -6.960 -6.493 -4.622 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.251 -4.649 -6.218 1.00 0.00 C ATOM 322 CE2 TYR A 18 -7.928 -5.673 -4.081 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.570 -4.754 -4.881 1.00 0.00 C ATOM 324 OH TYR A 18 -9.535 -3.934 -4.343 1.00 0.00 O ATOM 0 H TYR A 18 -3.445 -8.419 -7.250 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.848 -6.170 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.019 -8.030 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.093 -7.892 -5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.033 -5.388 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.459 -7.211 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.757 -3.927 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.182 -5.751 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.641 -4.135 -3.390 1.00 0.00 H new ATOM 334 N ALA A 19 -3.086 -5.786 -5.493 1.00 0.00 N ATOM 335 CA ALA A 19 -2.509 -4.817 -4.583 1.00 0.00 C ATOM 336 C ALA A 19 -1.599 -3.848 -5.327 1.00 0.00 C ATOM 337 O ALA A 19 -1.543 -2.660 -5.012 1.00 0.00 O ATOM 338 CB ALA A 19 -1.750 -5.549 -3.492 1.00 0.00 C ATOM 0 H ALA A 19 -2.792 -6.748 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.307 -4.229 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.313 -4.825 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.434 -6.201 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.957 -6.148 -3.940 1.00 0.00 H new ATOM 344 N ALA A 20 -0.896 -4.370 -6.325 1.00 0.00 N ATOM 345 CA ALA A 20 0.008 -3.557 -7.134 1.00 0.00 C ATOM 346 C ALA A 20 -0.769 -2.791 -8.199 1.00 0.00 C ATOM 347 O ALA A 20 -0.311 -1.766 -8.705 1.00 0.00 O ATOM 348 CB ALA A 20 1.078 -4.433 -7.773 1.00 0.00 C ATOM 0 H ALA A 20 -0.934 -5.353 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 20 0.499 -2.832 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.745 -3.814 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.652 -4.934 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.604 -5.179 -8.411 1.00 0.00 H new ATOM 354 N ARG A 21 -1.952 -3.299 -8.526 1.00 0.00 N ATOM 355 CA ARG A 21 -2.814 -2.685 -9.516 1.00 0.00 C ATOM 356 C ARG A 21 -3.477 -1.435 -8.955 1.00 0.00 C ATOM 357 O ARG A 21 -3.583 -0.412 -9.631 1.00 0.00 O ATOM 358 CB ARG A 21 -3.883 -3.678 -9.944 1.00 0.00 C ATOM 359 CG ARG A 21 -4.761 -3.151 -11.053 1.00 0.00 C ATOM 360 CD ARG A 21 -5.596 -4.253 -11.691 1.00 0.00 C ATOM 361 NE ARG A 21 -6.467 -3.740 -12.746 1.00 0.00 N ATOM 362 CZ ARG A 21 -7.445 -2.862 -12.539 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.690 -2.409 -11.316 1.00 0.00 N ATOM 364 NH2 ARG A 21 -8.183 -2.440 -13.556 1.00 0.00 N ATOM 0 H ARG A 21 -2.336 -4.148 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.207 -2.400 -10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.405 -4.601 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.504 -3.930 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.421 -2.379 -10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.140 -2.680 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.935 -5.015 -12.105 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.201 -4.738 -10.925 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.316 -4.075 -13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.127 -2.734 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.441 -1.736 -11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.001 -2.788 -14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.933 -1.767 -13.397 1.00 0.00 H new ATOM 378 N ALA A 22 -3.933 -1.539 -7.712 1.00 0.00 N ATOM 379 CA ALA A 22 -4.604 -0.437 -7.042 1.00 0.00 C ATOM 380 C ALA A 22 -3.632 0.693 -6.713 1.00 0.00 C ATOM 381 O ALA A 22 -3.843 1.837 -7.117 1.00 0.00 O ATOM 382 CB ALA A 22 -5.288 -0.947 -5.784 1.00 0.00 C ATOM 0 H ALA A 22 -3.848 -2.383 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.356 -0.028 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.791 -0.120 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.021 -1.708 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.544 -1.379 -5.115 1.00 0.00 H new ATOM 388 N LEU A 23 -2.564 0.370 -5.987 1.00 0.00 N ATOM 389 CA LEU A 23 -1.567 1.378 -5.622 1.00 0.00 C ATOM 390 C LEU A 23 -0.729 1.782 -6.835 1.00 0.00 C ATOM 391 O LEU A 23 -1.106 2.683 -7.584 1.00 0.00 O ATOM 392 CB LEU A 23 -0.655 0.889 -4.485 1.00 0.00 C ATOM 393 CG LEU A 23 -1.300 0.852 -3.093 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.272 0.489 -2.010 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.941 2.215 -2.776 1.00 0.00 C ATOM 0 H LEU A 23 -2.366 -0.570 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.110 2.253 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.303 -0.113 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.223 1.534 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.070 0.081 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.761 0.471 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.149 -0.494 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.526 1.232 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.397 2.181 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.176 2.991 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.705 2.440 -3.520 1.00 0.00 H new ATOM 407 N GLY A 24 0.405 1.114 -7.025 1.00 0.00 N ATOM 408 CA GLY A 24 1.269 1.427 -8.150 1.00 0.00 C ATOM 409 C GLY A 24 2.677 0.893 -7.970 1.00 0.00 C ATOM 410 O GLY A 24 3.327 0.503 -8.940 1.00 0.00 O ATOM 0 H GLY A 24 0.741 0.363 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.840 1.009 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.309 2.508 -8.283 1.00 0.00 H new ATOM 414 N LEU A 25 3.144 0.879 -6.724 1.00 0.00 N ATOM 415 CA LEU A 25 4.486 0.389 -6.404 1.00 0.00 C ATOM 416 C LEU A 25 4.747 -0.959 -7.079 1.00 0.00 C ATOM 417 O LEU A 25 3.810 -1.659 -7.466 1.00 0.00 O ATOM 418 CB LEU A 25 4.667 0.248 -4.881 1.00 0.00 C ATOM 419 CG LEU A 25 3.845 -0.863 -4.204 1.00 0.00 C ATOM 420 CD1 LEU A 25 4.087 -0.847 -2.695 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.353 -0.704 -4.486 1.00 0.00 C ATOM 0 H LEU A 25 2.612 1.202 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 25 5.204 1.118 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.722 0.068 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.409 1.199 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 25 4.170 -1.818 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.501 -1.637 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.146 -1.012 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.787 0.119 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.802 -1.505 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.011 0.259 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.179 -0.752 -5.561 1.00 0.00 H new ATOM 433 N SER A 26 6.022 -1.323 -7.215 1.00 0.00 N ATOM 434 CA SER A 26 6.388 -2.589 -7.841 1.00 0.00 C ATOM 435 C SER A 26 5.925 -3.763 -6.985 1.00 0.00 C ATOM 436 O SER A 26 5.280 -3.570 -5.954 1.00 0.00 O ATOM 437 CB SER A 26 7.902 -2.662 -8.053 1.00 0.00 C ATOM 438 OG SER A 26 8.261 -3.808 -8.804 1.00 0.00 O ATOM 0 H SER A 26 6.813 -0.761 -6.901 1.00 0.00 H new ATOM 0 HA SER A 26 5.893 -2.646 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.243 -1.765 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.406 -2.685 -7.087 1.00 0.00 H new ATOM 0 HG SER A 26 7.634 -3.921 -9.548 1.00 0.00 H new ATOM 444 N GLN A 27 6.252 -4.977 -7.413 1.00 0.00 N ATOM 445 CA GLN A 27 5.860 -6.170 -6.674 1.00 0.00 C ATOM 446 C GLN A 27 6.813 -6.451 -5.518 1.00 0.00 C ATOM 447 O GLN A 27 6.375 -6.794 -4.420 1.00 0.00 O ATOM 448 CB GLN A 27 5.768 -7.377 -7.603 1.00 0.00 C ATOM 449 CG GLN A 27 4.602 -7.301 -8.581 1.00 0.00 C ATOM 450 CD GLN A 27 3.232 -7.135 -7.924 1.00 0.00 C ATOM 451 OE1 GLN A 27 3.182 -7.056 -6.594 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 2.217 -7.078 -8.618 1.00 0.00 N flip ATOM 0 H GLN A 27 6.785 -5.160 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 27 4.873 -5.985 -6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.698 -7.466 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.671 -8.282 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.768 -6.465 -9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.593 -8.207 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.289 -7.142 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.304 -6.967 -8.178 1.00 0.00 H new ATOM 461 N LYS A 28 8.113 -6.294 -5.759 1.00 0.00 N ATOM 462 CA LYS A 28 9.105 -6.527 -4.714 1.00 0.00 C ATOM 463 C LYS A 28 8.816 -5.639 -3.519 1.00 0.00 C ATOM 464 O LYS A 28 8.913 -6.070 -2.372 1.00 0.00 O ATOM 465 CB LYS A 28 10.511 -6.240 -5.216 1.00 0.00 C ATOM 466 CG LYS A 28 10.807 -6.858 -6.568 1.00 0.00 C ATOM 467 CD LYS A 28 12.296 -6.882 -6.832 1.00 0.00 C ATOM 468 CE LYS A 28 12.613 -7.468 -8.196 1.00 0.00 C ATOM 469 NZ LYS A 28 11.994 -6.680 -9.298 1.00 0.00 N ATOM 0 H LYS A 28 8.500 -6.010 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 28 9.044 -7.576 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.653 -5.161 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.232 -6.614 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.410 -7.873 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.303 -6.291 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.693 -5.869 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.794 -7.468 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.694 -7.499 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.256 -8.497 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.418 -6.960 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.970 -6.863 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.161 -5.666 -9.136 1.00 0.00 H new ATOM 483 N LEU A 29 8.454 -4.392 -3.797 1.00 0.00 N ATOM 484 CA LEU A 29 8.144 -3.455 -2.737 1.00 0.00 C ATOM 485 C LEU A 29 6.918 -3.921 -1.979 1.00 0.00 C ATOM 486 O LEU A 29 6.858 -3.831 -0.754 1.00 0.00 O ATOM 487 CB LEU A 29 7.947 -2.048 -3.289 1.00 0.00 C ATOM 488 CG LEU A 29 9.208 -1.438 -3.893 1.00 0.00 C ATOM 489 CD1 LEU A 29 8.976 -1.106 -5.357 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.630 -0.194 -3.119 1.00 0.00 C ATOM 0 H LEU A 29 8.370 -4.014 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 29 8.987 -3.418 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.167 -2.073 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.590 -1.401 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 29 10.015 -2.167 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.882 -0.671 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.723 -2.016 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.157 -0.392 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.531 0.225 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.830 0.545 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.831 -0.462 -2.082 1.00 0.00 H new ATOM 502 N ILE A 30 5.953 -4.460 -2.714 1.00 0.00 N ATOM 503 CA ILE A 30 4.755 -4.983 -2.108 1.00 0.00 C ATOM 504 C ILE A 30 5.107 -6.147 -1.208 1.00 0.00 C ATOM 505 O ILE A 30 4.432 -6.406 -0.221 1.00 0.00 O ATOM 506 CB ILE A 30 3.756 -5.408 -3.185 1.00 0.00 C ATOM 507 CG1 ILE A 30 3.093 -4.159 -3.766 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.728 -6.380 -2.641 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.989 -4.458 -4.733 1.00 0.00 C ATOM 0 H ILE A 30 5.985 -4.542 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 30 4.288 -4.204 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 30 4.288 -5.934 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.695 -3.556 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.850 -3.556 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.035 -6.659 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.232 -7.272 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.176 -5.909 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.567 -3.524 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.384 -5.034 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.212 -5.034 -4.231 1.00 0.00 H new ATOM 521 N GLU A 31 6.203 -6.813 -1.537 1.00 0.00 N ATOM 522 CA GLU A 31 6.686 -7.918 -0.735 1.00 0.00 C ATOM 523 C GLU A 31 7.138 -7.370 0.602 1.00 0.00 C ATOM 524 O GLU A 31 6.838 -7.913 1.659 1.00 0.00 O ATOM 525 CB GLU A 31 7.854 -8.606 -1.422 1.00 0.00 C ATOM 526 CG GLU A 31 7.544 -9.138 -2.794 1.00 0.00 C ATOM 527 CD GLU A 31 8.695 -9.923 -3.393 1.00 0.00 C ATOM 528 OE1 GLU A 31 9.789 -9.344 -3.553 1.00 0.00 O ATOM 529 OE2 GLU A 31 8.501 -11.118 -3.702 1.00 0.00 O ATOM 0 H GLU A 31 6.773 -6.604 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 31 5.888 -8.649 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.681 -7.901 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.194 -9.430 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.663 -9.777 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.295 -8.307 -3.453 1.00 0.00 H new ATOM 536 N GLU A 32 7.855 -6.265 0.516 1.00 0.00 N ATOM 537 CA GLU A 32 8.378 -5.573 1.682 1.00 0.00 C ATOM 538 C GLU A 32 7.276 -5.329 2.708 1.00 0.00 C ATOM 539 O GLU A 32 7.437 -5.617 3.887 1.00 0.00 O ATOM 540 CB GLU A 32 9.006 -4.234 1.263 1.00 0.00 C ATOM 541 CG GLU A 32 10.119 -4.352 0.225 1.00 0.00 C ATOM 542 CD GLU A 32 10.881 -3.054 0.044 1.00 0.00 C ATOM 543 OE1 GLU A 32 10.250 -2.044 -0.332 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.107 -3.047 0.279 1.00 0.00 O ATOM 0 H GLU A 32 8.093 -5.819 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 32 9.142 -6.202 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.223 -3.589 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.405 -3.741 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.812 -5.138 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.690 -4.655 -0.730 1.00 0.00 H new ATOM 551 N VAL A 33 6.160 -4.785 2.253 1.00 0.00 N ATOM 552 CA VAL A 33 5.040 -4.485 3.138 1.00 0.00 C ATOM 553 C VAL A 33 4.223 -5.733 3.469 1.00 0.00 C ATOM 554 O VAL A 33 3.822 -5.947 4.614 1.00 0.00 O ATOM 555 CB VAL A 33 4.107 -3.444 2.492 1.00 0.00 C ATOM 556 CG1 VAL A 33 3.254 -2.761 3.548 1.00 0.00 C ATOM 557 CG2 VAL A 33 4.907 -2.433 1.681 1.00 0.00 C ATOM 0 H VAL A 33 6.002 -4.541 1.275 1.00 0.00 H new ATOM 0 HA VAL A 33 5.465 -4.090 4.061 1.00 0.00 H new ATOM 0 HB VAL A 33 3.435 -3.960 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.602 -2.029 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.648 -3.506 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.900 -2.257 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.228 -1.707 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.611 -1.917 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.455 -2.950 0.894 1.00 0.00 H new ATOM 567 N LEU A 34 3.961 -6.530 2.446 1.00 0.00 N ATOM 568 CA LEU A 34 3.170 -7.741 2.567 1.00 0.00 C ATOM 569 C LEU A 34 3.810 -8.810 3.464 1.00 0.00 C ATOM 570 O LEU A 34 3.246 -9.179 4.494 1.00 0.00 O ATOM 571 CB LEU A 34 2.939 -8.295 1.163 1.00 0.00 C ATOM 572 CG LEU A 34 2.602 -9.764 1.090 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.166 -9.983 1.517 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.864 -10.300 -0.309 1.00 0.00 C ATOM 0 H LEU A 34 4.295 -6.351 1.499 1.00 0.00 H new ATOM 0 HA LEU A 34 2.230 -7.480 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.130 -7.731 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.835 -8.116 0.569 1.00 0.00 H new ATOM 0 HG LEU A 34 3.244 -10.318 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.928 -11.045 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.034 -9.634 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.501 -9.428 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.616 -11.361 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.248 -9.759 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.916 -10.165 -0.559 1.00 0.00 H new ATOM 586 N LYS A 35 4.957 -9.341 3.044 1.00 0.00 N ATOM 587 CA LYS A 35 5.631 -10.409 3.787 1.00 0.00 C ATOM 588 C LYS A 35 6.293 -9.923 5.075 1.00 0.00 C ATOM 589 O LYS A 35 6.436 -10.693 6.026 1.00 0.00 O ATOM 590 CB LYS A 35 6.693 -11.076 2.913 1.00 0.00 C ATOM 591 CG LYS A 35 7.951 -10.249 2.779 1.00 0.00 C ATOM 592 CD LYS A 35 8.977 -10.879 1.854 1.00 0.00 C ATOM 593 CE LYS A 35 10.218 -10.006 1.745 1.00 0.00 C ATOM 594 NZ LYS A 35 10.934 -9.896 3.046 1.00 0.00 N ATOM 0 H LYS A 35 5.440 -9.051 2.194 1.00 0.00 H new ATOM 0 HA LYS A 35 4.852 -11.121 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.947 -12.048 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.278 -11.259 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.691 -9.259 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.395 -10.110 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.253 -11.865 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.541 -11.023 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.890 -10.422 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.933 -9.011 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.714 -9.214 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.273 -9.571 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.316 -10.826 3.312 1.00 0.00 H new ATOM 608 N ARG A 36 6.739 -8.672 5.100 1.00 0.00 N ATOM 609 CA ARG A 36 7.427 -8.152 6.275 1.00 0.00 C ATOM 610 C ARG A 36 6.462 -7.488 7.253 1.00 0.00 C ATOM 611 O ARG A 36 6.864 -7.049 8.331 1.00 0.00 O ATOM 612 CB ARG A 36 8.519 -7.180 5.847 1.00 0.00 C ATOM 613 CG ARG A 36 9.276 -7.682 4.640 1.00 0.00 C ATOM 614 CD ARG A 36 10.695 -7.179 4.597 1.00 0.00 C ATOM 615 NE ARG A 36 10.766 -5.729 4.444 1.00 0.00 N ATOM 616 CZ ARG A 36 11.906 -5.047 4.381 1.00 0.00 C ATOM 617 NH1 ARG A 36 13.067 -5.683 4.457 1.00 0.00 N ATOM 618 NH2 ARG A 36 11.884 -3.728 4.243 1.00 0.00 N ATOM 0 H ARG A 36 6.639 -8.008 4.332 1.00 0.00 H new ATOM 0 HA ARG A 36 7.882 -8.993 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.074 -6.211 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.213 -7.026 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.281 -8.772 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.756 -7.370 3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.209 -7.471 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.222 -7.655 3.770 1.00 0.00 H new ATOM 0 HE ARG A 36 9.891 -5.209 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.087 -6.697 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.940 -5.158 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.992 -3.236 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.759 -3.206 4.195 1.00 0.00 H new ATOM 632 N GLY A 37 5.187 -7.421 6.874 1.00 0.00 N ATOM 633 CA GLY A 37 4.189 -6.813 7.733 1.00 0.00 C ATOM 634 C GLY A 37 4.556 -5.401 8.140 1.00 0.00 C ATOM 635 O GLY A 37 4.520 -5.059 9.322 1.00 0.00 O ATOM 0 H GLY A 37 4.830 -7.777 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.229 -6.801 7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.063 -7.424 8.627 1.00 0.00 H new ATOM 639 N LEU A 38 4.908 -4.580 7.157 1.00 0.00 N ATOM 640 CA LEU A 38 5.282 -3.197 7.416 1.00 0.00 C ATOM 641 C LEU A 38 4.038 -2.309 7.418 1.00 0.00 C ATOM 642 O LEU A 38 3.069 -2.597 6.715 1.00 0.00 O ATOM 643 CB LEU A 38 6.270 -2.713 6.342 1.00 0.00 C ATOM 644 CG LEU A 38 7.525 -3.579 6.137 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.341 -3.029 4.987 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.387 -3.661 7.393 1.00 0.00 C ATOM 0 H LEU A 38 4.942 -4.849 6.174 1.00 0.00 H new ATOM 0 HA LEU A 38 5.760 -3.137 8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.739 -2.648 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.589 -1.703 6.599 1.00 0.00 H new ATOM 0 HG LEU A 38 7.190 -4.591 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.229 -3.644 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.741 -3.041 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.641 -2.005 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.260 -4.283 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.712 -2.660 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.806 -4.098 8.205 1.00 0.00 H new ATOM 658 N PRO A 39 4.038 -1.209 8.199 1.00 0.00 N ATOM 659 CA PRO A 39 2.889 -0.301 8.257 1.00 0.00 C ATOM 660 C PRO A 39 2.755 0.503 6.970 1.00 0.00 C ATOM 661 O PRO A 39 3.701 1.161 6.541 1.00 0.00 O ATOM 662 CB PRO A 39 3.212 0.612 9.439 1.00 0.00 C ATOM 663 CG PRO A 39 4.699 0.613 9.519 1.00 0.00 C ATOM 664 CD PRO A 39 5.144 -0.760 9.072 1.00 0.00 C ATOM 0 HA PRO A 39 1.942 -0.829 8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.823 1.618 9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.766 0.239 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.123 1.387 8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.034 0.820 10.535 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.091 -0.720 8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.287 -1.432 9.918 1.00 0.00 H new ATOM 672 N VAL A 40 1.584 0.427 6.344 1.00 0.00 N ATOM 673 CA VAL A 40 1.350 1.134 5.090 1.00 0.00 C ATOM 674 C VAL A 40 -0.040 1.787 5.061 1.00 0.00 C ATOM 675 O VAL A 40 -1.010 1.217 5.575 1.00 0.00 O ATOM 676 CB VAL A 40 1.489 0.166 3.897 1.00 0.00 C ATOM 677 CG1 VAL A 40 0.435 -0.937 3.978 1.00 0.00 C ATOM 678 CG2 VAL A 40 1.388 0.907 2.573 1.00 0.00 C ATOM 0 H VAL A 40 0.788 -0.113 6.682 1.00 0.00 H new ATOM 0 HA VAL A 40 2.100 1.921 5.013 1.00 0.00 H new ATOM 0 HB VAL A 40 2.477 -0.292 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.548 -1.611 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.564 -1.496 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.560 -0.492 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.490 0.199 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.420 1.403 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.182 1.651 2.511 1.00 0.00 H new ATOM 688 N TYR A 41 -0.142 2.981 4.454 1.00 0.00 N ATOM 689 CA TYR A 41 -1.416 3.684 4.365 1.00 0.00 C ATOM 690 C TYR A 41 -1.780 3.935 2.908 1.00 0.00 C ATOM 691 O TYR A 41 -0.904 4.136 2.071 1.00 0.00 O ATOM 692 CB TYR A 41 -1.357 5.028 5.105 1.00 0.00 C ATOM 693 CG TYR A 41 -1.132 4.931 6.601 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.118 4.136 7.119 1.00 0.00 C ATOM 695 CD2 TYR A 41 -1.920 5.651 7.495 1.00 0.00 C ATOM 696 CE1 TYR A 41 0.102 4.056 8.477 1.00 0.00 C ATOM 697 CE2 TYR A 41 -1.701 5.577 8.855 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.690 4.778 9.343 1.00 0.00 C ATOM 699 OH TYR A 41 -0.469 4.701 10.698 1.00 0.00 O ATOM 0 H TYR A 41 0.642 3.471 4.023 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.175 3.055 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.557 5.629 4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.290 5.564 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.509 3.571 6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.715 6.277 7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.893 3.429 8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.320 6.143 9.535 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.113 5.271 11.167 1.00 0.00 H new ATOM 709 N VAL A 42 -3.074 3.942 2.615 1.00 0.00 N ATOM 710 CA VAL A 42 -3.545 4.193 1.258 1.00 0.00 C ATOM 711 C VAL A 42 -4.818 5.044 1.289 1.00 0.00 C ATOM 712 O VAL A 42 -5.856 4.617 1.785 1.00 0.00 O ATOM 713 CB VAL A 42 -3.796 2.875 0.464 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.530 2.023 0.370 1.00 0.00 C ATOM 715 CG2 VAL A 42 -4.923 2.063 1.090 1.00 0.00 C ATOM 0 H VAL A 42 -3.815 3.777 3.296 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.757 4.737 0.738 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.089 3.163 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.745 1.113 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.749 2.587 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.193 1.761 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.076 1.149 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.660 1.806 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.841 2.651 1.087 1.00 0.00 H new ATOM 725 N GLU A 43 -4.716 6.266 0.768 1.00 0.00 N ATOM 726 CA GLU A 43 -5.851 7.204 0.739 1.00 0.00 C ATOM 727 C GLU A 43 -6.406 7.369 -0.679 1.00 0.00 C ATOM 728 O GLU A 43 -5.852 8.120 -1.482 1.00 0.00 O ATOM 729 CB GLU A 43 -5.402 8.559 1.285 1.00 0.00 C ATOM 730 CG GLU A 43 -6.414 9.679 1.095 1.00 0.00 C ATOM 731 CD GLU A 43 -7.715 9.433 1.836 1.00 0.00 C ATOM 732 OE1 GLU A 43 -8.399 8.435 1.525 1.00 0.00 O ATOM 733 OE2 GLU A 43 -8.051 10.241 2.728 1.00 0.00 O ATOM 0 H GLU A 43 -3.859 6.636 0.358 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.648 6.798 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.188 8.456 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.469 8.842 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.978 10.617 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.624 9.795 0.032 1.00 0.00 H new ATOM 740 N THR A 44 -7.482 6.638 -0.998 1.00 0.00 N ATOM 741 CA THR A 44 -8.071 6.689 -2.336 1.00 0.00 C ATOM 742 C THR A 44 -8.795 8.008 -2.593 1.00 0.00 C ATOM 743 O THR A 44 -9.251 8.678 -1.666 1.00 0.00 O ATOM 744 CB THR A 44 -9.030 5.514 -2.550 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.787 4.488 -1.605 1.00 0.00 O ATOM 746 CG2 THR A 44 -8.912 4.891 -3.931 1.00 0.00 C ATOM 0 H THR A 44 -7.957 6.009 -0.351 1.00 0.00 H new ATOM 0 HA THR A 44 -7.250 6.616 -3.050 1.00 0.00 H new ATOM 0 HB THR A 44 -10.029 5.934 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.610 3.646 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.617 4.065 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.136 5.641 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.898 4.519 -4.077 1.00 0.00 H new ATOM 754 N ASN A 45 -8.891 8.364 -3.871 1.00 0.00 N ATOM 755 CA ASN A 45 -9.552 9.594 -4.296 1.00 0.00 C ATOM 756 C ASN A 45 -11.031 9.345 -4.585 1.00 0.00 C ATOM 757 O ASN A 45 -11.879 9.509 -3.708 1.00 0.00 O ATOM 758 CB ASN A 45 -8.854 10.143 -5.548 1.00 0.00 C ATOM 759 CG ASN A 45 -9.602 11.297 -6.195 1.00 0.00 C ATOM 760 OD1 ASN A 45 -9.908 12.293 -5.540 1.00 0.00 O ATOM 761 ND2 ASN A 45 -9.890 11.175 -7.493 1.00 0.00 N ATOM 0 H ASN A 45 -8.514 7.809 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.483 10.325 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.850 10.474 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.741 9.339 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.382 11.925 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.618 10.332 -7.999 1.00 0.00 H new ATOM 768 N LYS A 46 -11.331 8.946 -5.818 1.00 0.00 N ATOM 769 CA LYS A 46 -12.705 8.672 -6.222 1.00 0.00 C ATOM 770 C LYS A 46 -12.761 7.481 -7.172 1.00 0.00 C ATOM 771 O LYS A 46 -13.205 6.397 -6.798 1.00 0.00 O ATOM 772 CB LYS A 46 -13.321 9.903 -6.892 1.00 0.00 C ATOM 773 CG LYS A 46 -13.357 11.135 -6.001 1.00 0.00 C ATOM 774 CD LYS A 46 -13.993 12.324 -6.707 1.00 0.00 C ATOM 775 CE LYS A 46 -13.184 12.762 -7.918 1.00 0.00 C ATOM 776 NZ LYS A 46 -13.792 13.939 -8.596 1.00 0.00 N ATOM 0 H LYS A 46 -10.640 8.805 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.279 8.431 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.755 10.135 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.337 9.664 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.916 10.910 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.343 11.393 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.004 12.062 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.081 13.156 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.169 13.007 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.110 11.935 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.211 14.206 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.752 13.698 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.839 14.737 -7.931 1.00 0.00 H new ATOM 790 N ASP A 47 -12.306 7.693 -8.403 1.00 0.00 N ATOM 791 CA ASP A 47 -12.302 6.637 -9.407 1.00 0.00 C ATOM 792 C ASP A 47 -11.369 5.502 -8.999 1.00 0.00 C ATOM 793 O ASP A 47 -11.545 4.360 -9.426 1.00 0.00 O ATOM 794 CB ASP A 47 -11.888 7.196 -10.769 1.00 0.00 C ATOM 795 CG ASP A 47 -10.556 7.914 -10.719 1.00 0.00 C ATOM 796 OD1 ASP A 47 -10.453 8.918 -9.984 1.00 0.00 O ATOM 797 OD2 ASP A 47 -9.616 7.475 -11.415 1.00 0.00 O ATOM 0 H ASP A 47 -11.936 8.586 -8.728 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.314 6.239 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.831 6.381 -11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.655 7.884 -11.124 1.00 0.00 H new ATOM 802 N GLY A 48 -10.381 5.818 -8.167 1.00 0.00 N ATOM 803 CA GLY A 48 -9.448 4.811 -7.718 1.00 0.00 C ATOM 804 C GLY A 48 -8.063 5.358 -7.427 1.00 0.00 C ATOM 805 O GLY A 48 -7.289 4.731 -6.702 1.00 0.00 O ATOM 0 H GLY A 48 -10.213 6.754 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.840 4.339 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.371 4.033 -8.478 1.00 0.00 H new ATOM 809 N ASN A 49 -7.744 6.524 -7.987 1.00 0.00 N ATOM 810 CA ASN A 49 -6.436 7.136 -7.770 1.00 0.00 C ATOM 811 C ASN A 49 -6.149 7.219 -6.280 1.00 0.00 C ATOM 812 O ASN A 49 -6.832 7.941 -5.556 1.00 0.00 O ATOM 813 CB ASN A 49 -6.399 8.547 -8.361 1.00 0.00 C ATOM 814 CG ASN A 49 -6.941 8.612 -9.781 1.00 0.00 C ATOM 815 OD1 ASN A 49 -7.937 9.473 -10.013 1.00 0.00 O flip ATOM 816 ND2 ASN A 49 -6.465 7.902 -10.667 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.369 7.060 -8.590 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.683 6.521 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.979 9.216 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.372 8.911 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.705 7.257 -10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.831 7.959 -11.618 1.00 0.00 H new ATOM 823 N ILE A 50 -5.155 6.478 -5.808 1.00 0.00 N ATOM 824 CA ILE A 50 -4.838 6.493 -4.409 1.00 0.00 C ATOM 825 C ILE A 50 -3.355 6.711 -4.144 1.00 0.00 C ATOM 826 O ILE A 50 -2.504 6.425 -4.986 1.00 0.00 O ATOM 827 CB ILE A 50 -5.304 5.198 -3.720 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.043 5.284 -2.239 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.586 3.989 -4.274 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.869 4.322 -1.416 1.00 0.00 C ATOM 0 H ILE A 50 -4.567 5.869 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.377 7.341 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.372 5.087 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.986 5.091 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.245 6.301 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.939 3.092 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.787 3.904 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.513 4.098 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.625 4.444 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.928 4.528 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.650 3.299 -1.723 1.00 0.00 H new ATOM 842 N LYS A 51 -3.064 7.214 -2.948 1.00 0.00 N ATOM 843 CA LYS A 51 -1.704 7.475 -2.521 1.00 0.00 C ATOM 844 C LYS A 51 -1.324 6.464 -1.447 1.00 0.00 C ATOM 845 O LYS A 51 -2.201 5.852 -0.839 1.00 0.00 O ATOM 846 CB LYS A 51 -1.607 8.901 -1.968 1.00 0.00 C ATOM 847 CG LYS A 51 -2.199 9.947 -2.904 1.00 0.00 C ATOM 848 CD LYS A 51 -2.229 11.330 -2.263 1.00 0.00 C ATOM 849 CE LYS A 51 -0.820 11.860 -2.005 1.00 0.00 C ATOM 850 NZ LYS A 51 -0.839 13.250 -1.471 1.00 0.00 N ATOM 0 H LYS A 51 -3.770 7.451 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.020 7.380 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.122 8.948 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.560 9.141 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.614 9.985 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.211 9.654 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.765 12.021 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.779 11.284 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.310 11.206 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.247 11.835 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.108 13.670 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.524 13.819 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.114 13.233 -0.468 1.00 0.00 H new ATOM 864 N VAL A 52 -0.033 6.276 -1.211 1.00 0.00 N ATOM 865 CA VAL A 52 0.402 5.319 -0.203 1.00 0.00 C ATOM 866 C VAL A 52 1.229 5.986 0.890 1.00 0.00 C ATOM 867 O VAL A 52 2.458 5.990 0.820 1.00 0.00 O ATOM 868 CB VAL A 52 1.247 4.183 -0.811 1.00 0.00 C ATOM 869 CG1 VAL A 52 1.092 2.912 0.004 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.891 3.947 -2.272 1.00 0.00 C ATOM 0 H VAL A 52 0.721 6.764 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.512 4.907 0.224 1.00 0.00 H new ATOM 0 HB VAL A 52 2.294 4.485 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.695 2.120 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.424 3.093 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.045 2.610 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.505 3.139 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.162 3.675 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.074 4.857 -2.843 1.00 0.00 H new ATOM 880 N TYR A 53 0.568 6.536 1.911 1.00 0.00 N ATOM 881 CA TYR A 53 1.291 7.174 3.012 1.00 0.00 C ATOM 882 C TYR A 53 1.882 6.114 3.939 1.00 0.00 C ATOM 883 O TYR A 53 1.474 5.985 5.093 1.00 0.00 O ATOM 884 CB TYR A 53 0.384 8.109 3.813 1.00 0.00 C ATOM 885 CG TYR A 53 -0.078 9.334 3.050 1.00 0.00 C ATOM 886 CD1 TYR A 53 -1.237 9.303 2.285 1.00 0.00 C ATOM 887 CD2 TYR A 53 0.634 10.531 3.113 1.00 0.00 C ATOM 888 CE1 TYR A 53 -1.671 10.421 1.601 1.00 0.00 C ATOM 889 CE2 TYR A 53 0.201 11.653 2.433 1.00 0.00 C ATOM 890 CZ TYR A 53 -0.950 11.594 1.679 1.00 0.00 C ATOM 891 OH TYR A 53 -1.384 12.710 1.005 1.00 0.00 O ATOM 0 H TYR A 53 -0.448 6.553 1.998 1.00 0.00 H new ATOM 0 HA TYR A 53 2.094 7.769 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.491 7.551 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.915 8.432 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.808 8.389 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.538 10.582 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.572 10.377 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.763 12.573 2.493 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.916 13.501 1.346 1.00 0.00 H new ATOM 901 N ILE A 54 2.835 5.351 3.418 1.00 0.00 N ATOM 902 CA ILE A 54 3.477 4.287 4.183 1.00 0.00 C ATOM 903 C ILE A 54 4.257 4.841 5.379 1.00 0.00 C ATOM 904 O ILE A 54 4.842 5.921 5.300 1.00 0.00 O ATOM 905 CB ILE A 54 4.445 3.468 3.297 1.00 0.00 C ATOM 906 CG1 ILE A 54 4.939 2.227 4.050 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.616 4.332 2.853 1.00 0.00 C ATOM 908 CD1 ILE A 54 5.834 1.314 3.211 1.00 0.00 C ATOM 0 H ILE A 54 3.182 5.449 2.464 1.00 0.00 H new ATOM 0 HA ILE A 54 2.678 3.641 4.547 1.00 0.00 H new ATOM 0 HB ILE A 54 3.908 3.136 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.489 2.545 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.077 1.657 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.288 3.742 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.245 5.182 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.155 4.692 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.144 0.458 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.282 0.965 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.715 1.867 2.885 1.00 0.00 H new ATOM 920 N THR A 55 4.286 4.082 6.476 1.00 0.00 N ATOM 921 CA THR A 55 5.022 4.483 7.668 1.00 0.00 C ATOM 922 C THR A 55 6.358 3.752 7.690 1.00 0.00 C ATOM 923 O THR A 55 6.572 2.838 8.486 1.00 0.00 O ATOM 924 CB THR A 55 4.221 4.168 8.933 1.00 0.00 C ATOM 925 OG1 THR A 55 2.962 4.814 8.901 1.00 0.00 O ATOM 926 CG2 THR A 55 4.919 4.594 10.209 1.00 0.00 C ATOM 0 H THR A 55 3.806 3.186 6.560 1.00 0.00 H new ATOM 0 HA THR A 55 5.192 5.559 7.642 1.00 0.00 H new ATOM 0 HB THR A 55 4.112 3.083 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.318 4.252 8.421 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.296 4.341 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.875 4.077 10.290 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.089 5.671 10.189 1.00 0.00 H new ATOM 934 N GLN A 56 7.239 4.145 6.779 1.00 0.00 N ATOM 935 CA GLN A 56 8.546 3.516 6.654 1.00 0.00 C ATOM 936 C GLN A 56 9.655 4.520 6.946 1.00 0.00 C ATOM 937 O GLN A 56 9.465 5.727 6.789 1.00 0.00 O ATOM 938 CB GLN A 56 8.694 2.911 5.243 1.00 0.00 C ATOM 939 CG GLN A 56 9.429 3.779 4.222 1.00 0.00 C ATOM 940 CD GLN A 56 8.842 5.166 4.014 1.00 0.00 C ATOM 941 OE1 GLN A 56 7.636 5.394 4.509 1.00 0.00 O flip ATOM 942 NE2 GLN A 56 9.466 6.018 3.384 1.00 0.00 N flip ATOM 0 H GLN A 56 7.070 4.900 6.114 1.00 0.00 H new ATOM 0 HA GLN A 56 8.631 2.713 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.220 1.960 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.699 2.691 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.467 3.884 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.438 3.258 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.394 5.804 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.056 6.939 3.227 1.00 0.00 H new ATOM 951 N ASP A 57 10.804 4.016 7.389 1.00 0.00 N ATOM 952 CA ASP A 57 11.942 4.868 7.723 1.00 0.00 C ATOM 953 C ASP A 57 11.620 5.709 8.960 1.00 0.00 C ATOM 954 O ASP A 57 12.416 6.542 9.388 1.00 0.00 O ATOM 955 CB ASP A 57 12.303 5.765 6.531 1.00 0.00 C ATOM 956 CG ASP A 57 13.637 6.473 6.695 1.00 0.00 C ATOM 957 OD1 ASP A 57 13.748 7.344 7.581 1.00 0.00 O ATOM 958 OD2 ASP A 57 14.574 6.150 5.935 1.00 0.00 O ATOM 0 H ASP A 57 10.972 3.019 7.525 1.00 0.00 H new ATOM 0 HA ASP A 57 12.804 4.239 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.329 5.160 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.519 6.509 6.395 1.00 0.00 H new ATOM 963 N GLY A 58 10.445 5.468 9.539 1.00 0.00 N ATOM 964 CA GLY A 58 10.035 6.198 10.728 1.00 0.00 C ATOM 965 C GLY A 58 9.183 7.416 10.419 1.00 0.00 C ATOM 966 O GLY A 58 8.918 8.231 11.303 1.00 0.00 O ATOM 0 H GLY A 58 9.770 4.780 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.477 5.529 11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.922 6.513 11.277 1.00 0.00 H new ATOM 970 N ILE A 59 8.752 7.548 9.166 1.00 0.00 N ATOM 971 CA ILE A 59 7.928 8.682 8.757 1.00 0.00 C ATOM 972 C ILE A 59 6.869 8.266 7.739 1.00 0.00 C ATOM 973 O ILE A 59 7.078 7.340 6.953 1.00 0.00 O ATOM 974 CB ILE A 59 8.793 9.809 8.144 1.00 0.00 C ATOM 975 CG1 ILE A 59 9.662 10.467 9.223 1.00 0.00 C ATOM 976 CG2 ILE A 59 7.923 10.850 7.439 1.00 0.00 C ATOM 977 CD1 ILE A 59 8.867 11.146 10.319 1.00 0.00 C ATOM 0 H ILE A 59 8.959 6.885 8.419 1.00 0.00 H new ATOM 0 HA ILE A 59 7.434 9.050 9.656 1.00 0.00 H new ATOM 0 HB ILE A 59 9.450 9.363 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.305 9.709 9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.315 11.202 8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.558 11.630 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.358 10.371 6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.232 11.293 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.551 11.588 11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.244 11.928 9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.234 10.412 10.817 1.00 0.00 H new ATOM 989 N THR A 60 5.742 8.978 7.739 1.00 0.00 N ATOM 990 CA THR A 60 4.671 8.706 6.796 1.00 0.00 C ATOM 991 C THR A 60 4.920 9.508 5.520 1.00 0.00 C ATOM 992 O THR A 60 5.434 10.626 5.585 1.00 0.00 O ATOM 993 CB THR A 60 3.316 9.080 7.396 1.00 0.00 C ATOM 994 OG1 THR A 60 2.264 8.731 6.512 1.00 0.00 O ATOM 995 CG2 THR A 60 3.186 10.555 7.698 1.00 0.00 C ATOM 0 H THR A 60 5.552 9.746 8.383 1.00 0.00 H new ATOM 0 HA THR A 60 4.656 7.641 6.566 1.00 0.00 H new ATOM 0 HB THR A 60 3.249 8.524 8.331 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.355 7.791 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.202 10.754 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.955 10.849 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.308 11.127 6.778 1.00 0.00 H new ATOM 1003 N GLN A 61 4.579 8.945 4.363 1.00 0.00 N ATOM 1004 CA GLN A 61 4.804 9.633 3.100 1.00 0.00 C ATOM 1005 C GLN A 61 4.258 8.814 1.935 1.00 0.00 C ATOM 1006 O GLN A 61 4.119 7.596 2.040 1.00 0.00 O ATOM 1007 CB GLN A 61 6.304 9.883 2.921 1.00 0.00 C ATOM 1008 CG GLN A 61 7.131 8.609 2.970 1.00 0.00 C ATOM 1009 CD GLN A 61 8.623 8.875 2.947 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.301 8.517 4.032 1.00 0.00 O flip ATOM 1011 NE2 GLN A 61 9.158 9.401 1.971 1.00 0.00 N flip ATOM 0 H GLN A 61 4.150 8.024 4.277 1.00 0.00 H new ATOM 0 HA GLN A 61 4.277 10.587 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.472 10.381 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.648 10.563 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.880 8.053 3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.866 7.977 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.597 9.659 1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.162 9.579 1.974 1.00 0.00 H new ATOM 1020 N PRO A 62 3.945 9.468 0.802 1.00 0.00 N ATOM 1021 CA PRO A 62 3.418 8.782 -0.378 1.00 0.00 C ATOM 1022 C PRO A 62 4.501 7.990 -1.094 1.00 0.00 C ATOM 1023 O PRO A 62 5.602 8.496 -1.313 1.00 0.00 O ATOM 1024 CB PRO A 62 2.939 9.935 -1.262 1.00 0.00 C ATOM 1025 CG PRO A 62 3.851 11.047 -0.916 1.00 0.00 C ATOM 1026 CD PRO A 62 4.087 10.919 0.571 1.00 0.00 C ATOM 0 HA PRO A 62 2.639 8.062 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.002 9.681 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.900 10.191 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.787 10.976 -1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.407 12.011 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.076 11.279 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.361 11.493 1.147 1.00 0.00 H new ATOM 1034 N PHE A 63 4.192 6.752 -1.460 1.00 0.00 N ATOM 1035 CA PHE A 63 5.177 5.920 -2.157 1.00 0.00 C ATOM 1036 C PHE A 63 5.668 6.658 -3.405 1.00 0.00 C ATOM 1037 O PHE A 63 4.947 7.506 -3.931 1.00 0.00 O ATOM 1038 CB PHE A 63 4.610 4.547 -2.567 1.00 0.00 C ATOM 1039 CG PHE A 63 5.465 3.391 -2.117 1.00 0.00 C ATOM 1040 CD1 PHE A 63 5.659 3.148 -0.765 1.00 0.00 C ATOM 1041 CD2 PHE A 63 6.076 2.553 -3.038 1.00 0.00 C ATOM 1042 CE1 PHE A 63 6.443 2.091 -0.342 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.860 1.497 -2.617 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.044 1.266 -1.269 1.00 0.00 C ATOM 0 H PHE A 63 3.290 6.306 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 63 5.999 5.739 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.610 4.435 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.507 4.513 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.192 3.792 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.937 2.728 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.585 1.912 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.330 0.851 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.658 0.440 -0.941 1.00 0.00 H new ATOM 1054 N PRO A 64 6.885 6.366 -3.924 1.00 0.00 N ATOM 1055 CA PRO A 64 7.376 7.048 -5.122 1.00 0.00 C ATOM 1056 C PRO A 64 6.527 6.721 -6.361 1.00 0.00 C ATOM 1057 O PRO A 64 5.988 7.632 -6.990 1.00 0.00 O ATOM 1058 CB PRO A 64 8.819 6.553 -5.292 1.00 0.00 C ATOM 1059 CG PRO A 64 9.155 5.832 -4.028 1.00 0.00 C ATOM 1060 CD PRO A 64 7.856 5.374 -3.426 1.00 0.00 C ATOM 0 HA PRO A 64 7.319 8.131 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.906 5.892 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.501 7.387 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.807 4.982 -4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.689 6.488 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.599 4.364 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.898 5.364 -2.337 1.00 0.00 H new ATOM 1068 N PRO A 65 6.377 5.421 -6.732 1.00 0.00 N ATOM 1069 CA PRO A 65 5.570 5.017 -7.891 1.00 0.00 C ATOM 1070 C PRO A 65 4.261 5.794 -7.999 1.00 0.00 C ATOM 1071 O PRO A 65 3.498 5.805 -7.010 1.00 0.00 O ATOM 1072 CB PRO A 65 5.297 3.544 -7.582 1.00 0.00 C ATOM 1073 CG PRO A 65 6.562 3.092 -6.969 1.00 0.00 C ATOM 1074 CD PRO A 65 6.960 4.232 -6.061 1.00 0.00 C ATOM 1075 OXT PRO A 65 4.011 6.385 -9.070 1.00 0.00 O ATOM 0 HA PRO A 65 6.072 5.201 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.454 3.424 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.062 2.979 -8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.426 2.166 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.324 2.899 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.562 4.103 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.043 4.313 -5.968 1.00 0.00 H new TER 1083 PRO A 65