USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.15 K(o=1.2,f=-0.075) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.98!,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-4.3!) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.938) USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000817 USER MOD Single : A 37 THR OG1 : rot -100:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 127:sc= -0.151 USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.219 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 52 THR OG1 : rot -117:sc= 0.669 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.553 -5.123 -14.013 1.00 0.00 N ATOM 2 CA GLY A 1 -22.646 -6.041 -13.615 1.00 0.00 C ATOM 3 C GLY A 1 -23.092 -5.800 -12.192 1.00 0.00 C ATOM 4 O GLY A 1 -22.536 -4.944 -11.503 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.887 -4.493 -14.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.261 -4.554 -13.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.742 -5.677 -14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.493 -5.911 -14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.311 -7.073 -13.721 1.00 0.00 H new ATOM 10 N SER A 2 -24.094 -6.545 -11.752 1.00 0.00 N ATOM 11 CA SER A 2 -24.608 -6.413 -10.397 1.00 0.00 C ATOM 12 C SER A 2 -23.668 -7.077 -9.400 1.00 0.00 C ATOM 13 O SER A 2 -23.870 -8.224 -9.005 1.00 0.00 O ATOM 14 CB SER A 2 -26.005 -7.027 -10.304 1.00 0.00 C ATOM 15 OG SER A 2 -26.688 -6.933 -11.546 1.00 0.00 O ATOM 0 H SER A 2 -24.569 -7.250 -12.316 1.00 0.00 H new ATOM 0 HA SER A 2 -24.673 -5.353 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.927 -8.073 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.579 -6.517 -9.530 1.00 0.00 H new ATOM 0 HG SER A 2 -27.578 -7.334 -11.461 1.00 0.00 H new ATOM 21 N ALA A 3 -22.626 -6.357 -9.018 1.00 0.00 N ATOM 22 CA ALA A 3 -21.670 -6.854 -8.047 1.00 0.00 C ATOM 23 C ALA A 3 -21.242 -5.741 -7.105 1.00 0.00 C ATOM 24 O ALA A 3 -20.608 -4.772 -7.530 1.00 0.00 O ATOM 25 CB ALA A 3 -20.468 -7.460 -8.752 1.00 0.00 C ATOM 0 H ALA A 3 -22.422 -5.421 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.147 -7.634 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -19.759 -7.829 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -20.795 -8.286 -9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.987 -6.701 -9.368 1.00 0.00 H new ATOM 31 N LYS A 4 -21.600 -5.880 -5.836 1.00 0.00 N ATOM 32 CA LYS A 4 -21.264 -4.880 -4.828 1.00 0.00 C ATOM 33 C LYS A 4 -19.752 -4.725 -4.699 1.00 0.00 C ATOM 34 O LYS A 4 -19.246 -3.617 -4.514 1.00 0.00 O ATOM 35 CB LYS A 4 -21.869 -5.253 -3.471 1.00 0.00 C ATOM 36 CG LYS A 4 -21.893 -6.750 -3.190 1.00 0.00 C ATOM 37 CD LYS A 4 -23.196 -7.177 -2.535 1.00 0.00 C ATOM 38 CE LYS A 4 -23.312 -8.691 -2.457 1.00 0.00 C ATOM 39 NZ LYS A 4 -24.710 -9.120 -2.200 1.00 0.00 N ATOM 0 H LYS A 4 -22.125 -6.678 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.685 -3.928 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.302 -4.756 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.888 -4.869 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.758 -7.298 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -21.057 -7.012 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -23.255 -6.755 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.037 -6.775 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.961 -9.132 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.664 -9.066 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.752 -10.158 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -25.036 -8.719 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.323 -8.783 -2.969 1.00 0.00 H new ATOM 53 N ARG A 5 -19.045 -5.852 -4.793 1.00 0.00 N ATOM 54 CA ARG A 5 -17.581 -5.873 -4.769 1.00 0.00 C ATOM 55 C ARG A 5 -17.026 -5.161 -3.539 1.00 0.00 C ATOM 56 O ARG A 5 -16.075 -4.385 -3.636 1.00 0.00 O ATOM 57 CB ARG A 5 -17.016 -5.234 -6.038 1.00 0.00 C ATOM 58 CG ARG A 5 -16.800 -6.216 -7.178 1.00 0.00 C ATOM 59 CD ARG A 5 -16.837 -5.512 -8.528 1.00 0.00 C ATOM 60 NE ARG A 5 -16.156 -6.283 -9.570 1.00 0.00 N ATOM 61 CZ ARG A 5 -16.739 -6.706 -10.691 1.00 0.00 C ATOM 62 NH1 ARG A 5 -18.007 -6.402 -10.941 1.00 0.00 N ATOM 63 NH2 ARG A 5 -16.038 -7.423 -11.561 1.00 0.00 N ATOM 0 H ARG A 5 -19.470 -6.775 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.271 -6.917 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -17.695 -4.449 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -16.067 -4.754 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.840 -6.717 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.569 -6.988 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -17.874 -5.344 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.369 -4.532 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.172 -6.511 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.538 -5.843 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.450 -6.728 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.061 -7.646 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.476 -7.751 -12.422 1.00 0.00 H new ATOM 77 N LYS A 6 -17.625 -5.423 -2.385 1.00 0.00 N ATOM 78 CA LYS A 6 -17.165 -4.828 -1.136 1.00 0.00 C ATOM 79 C LYS A 6 -15.970 -5.607 -0.608 1.00 0.00 C ATOM 80 O LYS A 6 -16.112 -6.436 0.296 1.00 0.00 O ATOM 81 CB LYS A 6 -18.290 -4.801 -0.092 1.00 0.00 C ATOM 82 CG LYS A 6 -19.659 -4.492 -0.675 1.00 0.00 C ATOM 83 CD LYS A 6 -20.145 -3.112 -0.268 1.00 0.00 C ATOM 84 CE LYS A 6 -21.524 -2.822 -0.839 1.00 0.00 C ATOM 85 NZ LYS A 6 -21.846 -1.371 -0.816 1.00 0.00 N ATOM 0 H LYS A 6 -18.429 -6.043 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.865 -3.798 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.329 -5.767 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.052 -4.056 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.614 -4.556 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.375 -5.243 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.177 -3.041 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.439 -2.358 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.575 -3.188 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.274 -3.368 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.795 -1.220 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.823 -1.026 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.146 -0.851 -1.382 1.00 0.00 H new ATOM 99 N ARG A 7 -14.808 -5.358 -1.218 1.00 0.00 N ATOM 100 CA ARG A 7 -13.555 -6.058 -0.903 1.00 0.00 C ATOM 101 C ARG A 7 -13.574 -7.479 -1.466 1.00 0.00 C ATOM 102 O ARG A 7 -12.630 -7.909 -2.128 1.00 0.00 O ATOM 103 CB ARG A 7 -13.290 -6.093 0.609 1.00 0.00 C ATOM 104 CG ARG A 7 -12.989 -4.730 1.211 1.00 0.00 C ATOM 105 CD ARG A 7 -11.498 -4.448 1.235 1.00 0.00 C ATOM 106 NE ARG A 7 -11.221 -3.026 1.414 1.00 0.00 N ATOM 107 CZ ARG A 7 -10.000 -2.520 1.566 1.00 0.00 C ATOM 108 NH1 ARG A 7 -8.941 -3.318 1.591 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.835 -1.213 1.709 1.00 0.00 N ATOM 0 H ARG A 7 -14.707 -4.658 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.745 -5.501 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.159 -6.518 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.451 -6.760 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.497 -3.957 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -13.385 -4.684 2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.033 -5.014 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.047 -4.792 0.304 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.011 -2.381 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.060 -4.326 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.008 -2.923 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.645 -0.593 1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.898 -0.827 1.825 1.00 0.00 H new ATOM 123 N VAL A 8 -14.659 -8.189 -1.203 1.00 0.00 N ATOM 124 CA VAL A 8 -14.829 -9.553 -1.675 1.00 0.00 C ATOM 125 C VAL A 8 -15.162 -9.572 -3.162 1.00 0.00 C ATOM 126 O VAL A 8 -16.147 -8.972 -3.598 1.00 0.00 O ATOM 127 CB VAL A 8 -15.947 -10.278 -0.900 1.00 0.00 C ATOM 128 CG1 VAL A 8 -15.983 -11.754 -1.268 1.00 0.00 C ATOM 129 CG2 VAL A 8 -15.764 -10.101 0.601 1.00 0.00 C ATOM 0 H VAL A 8 -15.445 -7.837 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.886 -10.073 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.902 -9.833 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.779 -12.249 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.170 -11.858 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.026 -12.214 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.564 -10.621 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.802 -10.516 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.795 -9.040 0.849 1.00 0.00 H new ATOM 139 N ALA A 9 -14.317 -10.234 -3.932 1.00 0.00 N ATOM 140 CA ALA A 9 -14.547 -10.408 -5.356 1.00 0.00 C ATOM 141 C ALA A 9 -14.119 -11.800 -5.797 1.00 0.00 C ATOM 142 O ALA A 9 -14.621 -12.330 -6.789 1.00 0.00 O ATOM 143 CB ALA A 9 -13.804 -9.348 -6.151 1.00 0.00 C ATOM 0 H ALA A 9 -13.457 -10.664 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.614 -10.296 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.989 -9.495 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.154 -8.359 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.735 -9.428 -5.954 1.00 0.00 H new ATOM 149 N GLY A 10 -13.194 -12.393 -5.042 1.00 0.00 N ATOM 150 CA GLY A 10 -12.681 -13.705 -5.380 1.00 0.00 C ATOM 151 C GLY A 10 -11.802 -13.652 -6.605 1.00 0.00 C ATOM 152 O GLY A 10 -11.889 -14.510 -7.486 1.00 0.00 O ATOM 0 H GLY A 10 -12.792 -11.983 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.113 -14.103 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.512 -14.388 -5.555 1.00 0.00 H new ATOM 156 N ASP A 11 -10.974 -12.626 -6.676 1.00 0.00 N ATOM 157 CA ASP A 11 -10.151 -12.390 -7.850 1.00 0.00 C ATOM 158 C ASP A 11 -8.681 -12.682 -7.575 1.00 0.00 C ATOM 159 O ASP A 11 -8.008 -13.339 -8.370 1.00 0.00 O ATOM 160 CB ASP A 11 -10.306 -10.940 -8.309 1.00 0.00 C ATOM 161 CG ASP A 11 -9.940 -10.757 -9.767 1.00 0.00 C ATOM 162 OD1 ASP A 11 -10.767 -11.096 -10.641 1.00 0.00 O ATOM 163 OD2 ASP A 11 -8.823 -10.279 -10.051 1.00 0.00 O ATOM 0 H ASP A 11 -10.853 -11.939 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.489 -13.067 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.336 -10.620 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.675 -10.297 -7.695 1.00 0.00 H new ATOM 168 N LEU A 12 -8.194 -12.200 -6.441 1.00 0.00 N ATOM 169 CA LEU A 12 -6.773 -12.246 -6.133 1.00 0.00 C ATOM 170 C LEU A 12 -6.403 -13.454 -5.274 1.00 0.00 C ATOM 171 O LEU A 12 -7.265 -14.071 -4.642 1.00 0.00 O ATOM 172 CB LEU A 12 -6.366 -10.967 -5.401 1.00 0.00 C ATOM 173 CG LEU A 12 -6.869 -9.672 -6.023 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.941 -8.579 -4.973 1.00 0.00 C ATOM 175 CD2 LEU A 12 -5.966 -9.258 -7.169 1.00 0.00 C ATOM 0 H LEU A 12 -8.767 -11.770 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.239 -12.334 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.731 -11.024 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.278 -10.928 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.872 -9.835 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.302 -7.658 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.624 -8.882 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.949 -8.411 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.335 -8.330 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.953 -9.106 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.960 -10.040 -7.928 1.00 0.00 H new ATOM 187 N PRO A 13 -5.104 -13.807 -5.264 1.00 0.00 N ATOM 188 CA PRO A 13 -4.543 -14.807 -4.344 1.00 0.00 C ATOM 189 C PRO A 13 -4.753 -14.429 -2.877 1.00 0.00 C ATOM 190 O PRO A 13 -5.222 -13.329 -2.567 1.00 0.00 O ATOM 191 CB PRO A 13 -3.049 -14.798 -4.684 1.00 0.00 C ATOM 192 CG PRO A 13 -2.984 -14.291 -6.078 1.00 0.00 C ATOM 193 CD PRO A 13 -4.080 -13.279 -6.183 1.00 0.00 C ATOM 0 HA PRO A 13 -5.019 -15.781 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.491 -14.156 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.619 -15.796 -4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.013 -13.842 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.124 -15.098 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.743 -12.286 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.456 -13.195 -7.202 1.00 0.00 H new ATOM 201 N TYR A 14 -4.375 -15.328 -1.980 1.00 0.00 N ATOM 202 CA TYR A 14 -4.597 -15.147 -0.549 1.00 0.00 C ATOM 203 C TYR A 14 -3.801 -13.956 -0.006 1.00 0.00 C ATOM 204 O TYR A 14 -4.301 -13.187 0.818 1.00 0.00 O ATOM 205 CB TYR A 14 -4.219 -16.435 0.194 1.00 0.00 C ATOM 206 CG TYR A 14 -3.651 -16.219 1.581 1.00 0.00 C ATOM 207 CD1 TYR A 14 -4.492 -16.068 2.676 1.00 0.00 C ATOM 208 CD2 TYR A 14 -2.280 -16.174 1.794 1.00 0.00 C ATOM 209 CE1 TYR A 14 -3.979 -15.870 3.942 1.00 0.00 C ATOM 210 CE2 TYR A 14 -1.761 -15.979 3.056 1.00 0.00 C ATOM 211 CZ TYR A 14 -2.613 -15.826 4.127 1.00 0.00 C ATOM 212 OH TYR A 14 -2.096 -15.628 5.388 1.00 0.00 O ATOM 0 H TYR A 14 -3.907 -16.202 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.653 -14.933 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.104 -17.067 0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.489 -16.982 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.562 -16.106 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.609 -16.294 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.644 -15.750 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.692 -15.946 3.204 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.117 -15.625 5.343 1.00 0.00 H new ATOM 222 N GLY A 15 -2.564 -13.815 -0.461 1.00 0.00 N ATOM 223 CA GLY A 15 -1.703 -12.756 0.036 1.00 0.00 C ATOM 224 C GLY A 15 -2.144 -11.371 -0.400 1.00 0.00 C ATOM 225 O GLY A 15 -1.847 -10.381 0.270 1.00 0.00 O ATOM 0 H GLY A 15 -2.139 -14.416 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.680 -12.797 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.685 -12.932 -0.311 1.00 0.00 H new ATOM 229 N TRP A 16 -2.852 -11.305 -1.513 1.00 0.00 N ATOM 230 CA TRP A 16 -3.250 -10.032 -2.098 1.00 0.00 C ATOM 231 C TRP A 16 -4.561 -9.519 -1.539 1.00 0.00 C ATOM 232 O TRP A 16 -5.484 -10.287 -1.257 1.00 0.00 O ATOM 233 CB TRP A 16 -3.355 -10.179 -3.607 1.00 0.00 C ATOM 234 CG TRP A 16 -2.029 -10.430 -4.234 1.00 0.00 C ATOM 235 CD1 TRP A 16 -1.439 -11.636 -4.435 1.00 0.00 C ATOM 236 CD2 TRP A 16 -1.113 -9.446 -4.702 1.00 0.00 C ATOM 237 NE1 TRP A 16 -0.217 -11.471 -5.023 1.00 0.00 N ATOM 238 CE2 TRP A 16 0.012 -10.125 -5.198 1.00 0.00 C ATOM 239 CE3 TRP A 16 -1.147 -8.056 -4.760 1.00 0.00 C ATOM 240 CZ2 TRP A 16 1.102 -9.448 -5.746 1.00 0.00 C ATOM 241 CZ3 TRP A 16 -0.072 -7.387 -5.293 1.00 0.00 C ATOM 242 CH2 TRP A 16 1.042 -8.081 -5.785 1.00 0.00 C ATOM 0 H TRP A 16 -3.166 -12.123 -2.035 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.484 -9.300 -1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.031 -11.000 -3.846 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.791 -9.274 -4.030 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.873 -12.588 -4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.421 -12.222 -5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.004 -7.512 -4.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 1.961 -9.982 -6.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.085 -6.308 -5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.869 -7.526 -6.203 1.00 0.00 H new ATOM 253 N GLU A 17 -4.626 -8.210 -1.376 1.00 0.00 N ATOM 254 CA GLU A 17 -5.839 -7.539 -0.960 1.00 0.00 C ATOM 255 C GLU A 17 -6.279 -6.551 -2.025 1.00 0.00 C ATOM 256 O GLU A 17 -5.451 -6.051 -2.795 1.00 0.00 O ATOM 257 CB GLU A 17 -5.615 -6.796 0.355 1.00 0.00 C ATOM 258 CG GLU A 17 -6.496 -7.289 1.487 1.00 0.00 C ATOM 259 CD GLU A 17 -7.937 -6.848 1.333 1.00 0.00 C ATOM 260 OE1 GLU A 17 -8.628 -7.372 0.433 1.00 0.00 O ATOM 261 OE2 GLU A 17 -8.385 -5.981 2.114 1.00 0.00 O ATOM 0 H GLU A 17 -3.836 -7.583 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.615 -8.291 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.570 -6.899 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.799 -5.733 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.455 -8.377 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.105 -6.919 2.435 1.00 0.00 H new ATOM 268 N GLN A 18 -7.568 -6.271 -2.060 1.00 0.00 N ATOM 269 CA GLN A 18 -8.116 -5.303 -2.993 1.00 0.00 C ATOM 270 C GLN A 18 -8.456 -4.025 -2.243 1.00 0.00 C ATOM 271 O GLN A 18 -9.465 -3.945 -1.537 1.00 0.00 O ATOM 272 CB GLN A 18 -9.341 -5.887 -3.706 1.00 0.00 C ATOM 273 CG GLN A 18 -10.226 -4.858 -4.380 1.00 0.00 C ATOM 274 CD GLN A 18 -10.870 -5.381 -5.648 1.00 0.00 C ATOM 275 OE1 GLN A 18 -10.737 -6.556 -5.992 1.00 0.00 O ATOM 276 NE2 GLN A 18 -11.576 -4.512 -6.345 1.00 0.00 N ATOM 0 H GLN A 18 -8.260 -6.704 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.378 -5.066 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.003 -6.603 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.937 -6.442 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.005 -4.543 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.634 -3.974 -4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.660 -3.548 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.038 -4.804 -7.206 1.00 0.00 H new ATOM 285 N GLU A 19 -7.587 -3.035 -2.379 1.00 0.00 N ATOM 286 CA GLU A 19 -7.723 -1.786 -1.649 1.00 0.00 C ATOM 287 C GLU A 19 -8.023 -0.637 -2.601 1.00 0.00 C ATOM 288 O GLU A 19 -7.861 -0.764 -3.816 1.00 0.00 O ATOM 289 CB GLU A 19 -6.446 -1.483 -0.866 1.00 0.00 C ATOM 290 CG GLU A 19 -5.757 -2.717 -0.297 1.00 0.00 C ATOM 291 CD GLU A 19 -5.815 -2.798 1.216 1.00 0.00 C ATOM 292 OE1 GLU A 19 -6.609 -2.058 1.827 1.00 0.00 O ATOM 293 OE2 GLU A 19 -5.070 -3.611 1.807 1.00 0.00 O ATOM 0 H GLU A 19 -6.774 -3.075 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.553 -1.892 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.748 -0.959 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.687 -0.805 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.220 -3.609 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.714 -2.719 -0.613 1.00 0.00 H new ATOM 300 N THR A 20 -8.457 0.478 -2.046 1.00 0.00 N ATOM 301 CA THR A 20 -8.747 1.657 -2.838 1.00 0.00 C ATOM 302 C THR A 20 -7.819 2.804 -2.460 1.00 0.00 C ATOM 303 O THR A 20 -7.530 3.024 -1.278 1.00 0.00 O ATOM 304 CB THR A 20 -10.207 2.105 -2.658 1.00 0.00 C ATOM 305 OG1 THR A 20 -11.075 0.960 -2.590 1.00 0.00 O ATOM 306 CG2 THR A 20 -10.624 3.006 -3.804 1.00 0.00 C ATOM 0 H THR A 20 -8.617 0.592 -1.045 1.00 0.00 H new ATOM 0 HA THR A 20 -8.586 1.392 -3.883 1.00 0.00 H new ATOM 0 HB THR A 20 -10.287 2.662 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.001 1.258 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.660 3.316 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.982 3.886 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.531 2.464 -4.745 1.00 0.00 H new ATOM 314 N ASP A 21 -7.338 3.523 -3.464 1.00 0.00 N ATOM 315 CA ASP A 21 -6.448 4.642 -3.244 1.00 0.00 C ATOM 316 C ASP A 21 -7.229 5.860 -2.779 1.00 0.00 C ATOM 317 O ASP A 21 -8.454 5.831 -2.669 1.00 0.00 O ATOM 318 CB ASP A 21 -5.646 4.952 -4.520 1.00 0.00 C ATOM 319 CG ASP A 21 -6.116 6.188 -5.267 1.00 0.00 C ATOM 320 OD1 ASP A 21 -7.152 6.125 -5.959 1.00 0.00 O ATOM 321 OD2 ASP A 21 -5.445 7.235 -5.169 1.00 0.00 O ATOM 0 H ASP A 21 -7.554 3.345 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.741 4.375 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.597 5.079 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.703 4.093 -5.189 1.00 0.00 H new ATOM 326 N GLU A 22 -6.502 6.927 -2.523 1.00 0.00 N ATOM 327 CA GLU A 22 -7.076 8.167 -2.011 1.00 0.00 C ATOM 328 C GLU A 22 -8.118 8.728 -2.972 1.00 0.00 C ATOM 329 O GLU A 22 -9.161 9.227 -2.552 1.00 0.00 O ATOM 330 CB GLU A 22 -5.982 9.212 -1.774 1.00 0.00 C ATOM 331 CG GLU A 22 -4.585 8.626 -1.668 1.00 0.00 C ATOM 332 CD GLU A 22 -4.285 8.082 -0.289 1.00 0.00 C ATOM 333 OE1 GLU A 22 -4.469 8.822 0.699 1.00 0.00 O ATOM 334 OE2 GLU A 22 -3.848 6.917 -0.186 1.00 0.00 O ATOM 0 H GLU A 22 -5.492 6.965 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.563 7.937 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.001 9.935 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.207 9.758 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.473 7.828 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.853 9.394 -1.919 1.00 0.00 H new ATOM 341 N ASN A 23 -7.830 8.633 -4.260 1.00 0.00 N ATOM 342 CA ASN A 23 -8.724 9.145 -5.289 1.00 0.00 C ATOM 343 C ASN A 23 -9.951 8.255 -5.430 1.00 0.00 C ATOM 344 O ASN A 23 -11.083 8.736 -5.426 1.00 0.00 O ATOM 345 CB ASN A 23 -8.002 9.228 -6.634 1.00 0.00 C ATOM 346 CG ASN A 23 -6.839 10.197 -6.620 1.00 0.00 C ATOM 347 OD1 ASN A 23 -6.997 11.378 -6.934 1.00 0.00 O ATOM 348 ND2 ASN A 23 -5.661 9.707 -6.269 1.00 0.00 N ATOM 0 H ASN A 23 -6.978 8.203 -4.621 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.041 10.143 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.639 8.237 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.712 9.531 -7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.841 10.313 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.573 8.723 -6.016 1.00 0.00 H new ATOM 355 N GLY A 24 -9.716 6.960 -5.550 1.00 0.00 N ATOM 356 CA GLY A 24 -10.803 6.018 -5.728 1.00 0.00 C ATOM 357 C GLY A 24 -10.463 4.943 -6.737 1.00 0.00 C ATOM 358 O GLY A 24 -11.333 4.180 -7.171 1.00 0.00 O ATOM 0 H GLY A 24 -8.787 6.540 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.041 5.554 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.696 6.552 -6.054 1.00 0.00 H new ATOM 362 N GLN A 25 -9.197 4.885 -7.121 1.00 0.00 N ATOM 363 CA GLN A 25 -8.718 3.854 -8.013 1.00 0.00 C ATOM 364 C GLN A 25 -8.349 2.624 -7.208 1.00 0.00 C ATOM 365 O GLN A 25 -7.840 2.733 -6.091 1.00 0.00 O ATOM 366 CB GLN A 25 -7.508 4.338 -8.814 1.00 0.00 C ATOM 367 CG GLN A 25 -7.589 5.796 -9.218 1.00 0.00 C ATOM 368 CD GLN A 25 -6.227 6.424 -9.436 1.00 0.00 C ATOM 369 OE1 GLN A 25 -5.609 6.885 -8.361 1.00 0.00 O flip ATOM 370 NE2 GLN A 25 -5.737 6.494 -10.561 1.00 0.00 N flip ATOM 0 H GLN A 25 -8.482 5.548 -6.823 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.512 3.608 -8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.606 4.184 -8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.409 3.727 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.174 5.882 -10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.121 6.353 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.248 6.126 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.820 6.920 -10.692 1.00 0.00 H new ATOM 379 N VAL A 26 -8.613 1.456 -7.758 1.00 0.00 N ATOM 380 CA VAL A 26 -8.307 0.228 -7.055 1.00 0.00 C ATOM 381 C VAL A 26 -6.872 -0.202 -7.307 1.00 0.00 C ATOM 382 O VAL A 26 -6.254 0.182 -8.306 1.00 0.00 O ATOM 383 CB VAL A 26 -9.273 -0.914 -7.439 1.00 0.00 C ATOM 384 CG1 VAL A 26 -8.817 -1.636 -8.696 1.00 0.00 C ATOM 385 CG2 VAL A 26 -9.432 -1.890 -6.284 1.00 0.00 C ATOM 0 H VAL A 26 -9.034 1.332 -8.679 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.434 0.434 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.244 -0.468 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.522 -2.433 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.773 -0.930 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.828 -2.064 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.116 -2.688 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.461 -2.318 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.833 -1.365 -5.417 1.00 0.00 H new ATOM 395 N PHE A 27 -6.355 -0.985 -6.387 1.00 0.00 N ATOM 396 CA PHE A 27 -5.011 -1.518 -6.489 1.00 0.00 C ATOM 397 C PHE A 27 -4.883 -2.748 -5.610 1.00 0.00 C ATOM 398 O PHE A 27 -5.698 -2.968 -4.710 1.00 0.00 O ATOM 399 CB PHE A 27 -3.964 -0.468 -6.098 1.00 0.00 C ATOM 400 CG PHE A 27 -4.024 -0.039 -4.661 1.00 0.00 C ATOM 401 CD1 PHE A 27 -4.910 0.944 -4.258 1.00 0.00 C ATOM 402 CD2 PHE A 27 -3.191 -0.613 -3.712 1.00 0.00 C ATOM 403 CE1 PHE A 27 -4.967 1.345 -2.943 1.00 0.00 C ATOM 404 CE2 PHE A 27 -3.246 -0.215 -2.395 1.00 0.00 C ATOM 405 CZ PHE A 27 -4.139 0.768 -2.010 1.00 0.00 C ATOM 0 H PHE A 27 -6.854 -1.272 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.827 -1.795 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.971 -0.868 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.092 0.409 -6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.565 1.402 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.492 -1.380 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.663 2.114 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.593 -0.670 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.186 1.082 -0.978 1.00 0.00 H new ATOM 415 N PHE A 28 -3.868 -3.540 -5.873 1.00 0.00 N ATOM 416 CA PHE A 28 -3.676 -4.786 -5.165 1.00 0.00 C ATOM 417 C PHE A 28 -2.381 -4.755 -4.382 1.00 0.00 C ATOM 418 O PHE A 28 -1.339 -4.345 -4.898 1.00 0.00 O ATOM 419 CB PHE A 28 -3.675 -5.941 -6.161 1.00 0.00 C ATOM 420 CG PHE A 28 -4.734 -5.787 -7.224 1.00 0.00 C ATOM 421 CD1 PHE A 28 -6.075 -5.801 -6.886 1.00 0.00 C ATOM 422 CD2 PHE A 28 -4.382 -5.622 -8.554 1.00 0.00 C ATOM 423 CE1 PHE A 28 -7.050 -5.653 -7.851 1.00 0.00 C ATOM 424 CE2 PHE A 28 -5.352 -5.474 -9.526 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.689 -5.492 -9.175 1.00 0.00 C ATOM 0 H PHE A 28 -3.158 -3.341 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.494 -4.927 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.696 -6.007 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.834 -6.878 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.363 -5.929 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.339 -5.609 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.093 -5.663 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.066 -5.344 -10.559 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.449 -5.381 -9.934 1.00 0.00 H new ATOM 435 N VAL A 29 -2.450 -5.159 -3.128 1.00 0.00 N ATOM 436 CA VAL A 29 -1.275 -5.195 -2.284 1.00 0.00 C ATOM 437 C VAL A 29 -1.146 -6.539 -1.597 1.00 0.00 C ATOM 438 O VAL A 29 -2.107 -7.053 -1.017 1.00 0.00 O ATOM 439 CB VAL A 29 -1.279 -4.050 -1.235 1.00 0.00 C ATOM 440 CG1 VAL A 29 -2.670 -3.498 -1.046 1.00 0.00 C ATOM 441 CG2 VAL A 29 -0.698 -4.477 0.110 1.00 0.00 C ATOM 0 H VAL A 29 -3.309 -5.467 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.410 -5.047 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.632 -3.268 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.646 -2.698 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.038 -3.106 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.333 -4.292 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.727 -3.636 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.286 -5.301 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.334 -4.800 -0.026 1.00 0.00 H new ATOM 451 N ASP A 30 0.037 -7.114 -1.696 1.00 0.00 N ATOM 452 CA ASP A 30 0.356 -8.323 -0.967 1.00 0.00 C ATOM 453 C ASP A 30 0.690 -7.938 0.468 1.00 0.00 C ATOM 454 O ASP A 30 1.435 -6.990 0.702 1.00 0.00 O ATOM 455 CB ASP A 30 1.522 -9.063 -1.640 1.00 0.00 C ATOM 456 CG ASP A 30 2.779 -9.088 -0.796 1.00 0.00 C ATOM 457 OD1 ASP A 30 2.883 -9.952 0.097 1.00 0.00 O ATOM 458 OD2 ASP A 30 3.668 -8.247 -1.015 1.00 0.00 O ATOM 0 H ASP A 30 0.796 -6.760 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.495 -9.004 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.217 -10.087 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.743 -8.587 -2.595 1.00 0.00 H new ATOM 463 N HIS A 31 0.116 -8.634 1.428 1.00 0.00 N ATOM 464 CA HIS A 31 0.268 -8.230 2.818 1.00 0.00 C ATOM 465 C HIS A 31 1.314 -9.070 3.536 1.00 0.00 C ATOM 466 O HIS A 31 1.387 -9.077 4.765 1.00 0.00 O ATOM 467 CB HIS A 31 -1.077 -8.280 3.537 1.00 0.00 C ATOM 468 CG HIS A 31 -1.856 -7.014 3.354 1.00 0.00 C ATOM 469 ND1 HIS A 31 -1.570 -5.848 4.036 1.00 0.00 N ATOM 470 CD2 HIS A 31 -2.879 -6.718 2.522 1.00 0.00 C ATOM 471 CE1 HIS A 31 -2.385 -4.891 3.627 1.00 0.00 C ATOM 472 NE2 HIS A 31 -3.188 -5.391 2.710 1.00 0.00 N ATOM 0 H HIS A 31 -0.451 -9.469 1.280 1.00 0.00 H new ATOM 0 HA HIS A 31 0.624 -7.200 2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.659 -9.122 3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.914 -8.455 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.364 -7.397 1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.392 -3.872 3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.920 -4.877 2.219 1.00 0.00 H new ATOM 481 N ILE A 32 2.123 -9.770 2.761 1.00 0.00 N ATOM 482 CA ILE A 32 3.257 -10.498 3.294 1.00 0.00 C ATOM 483 C ILE A 32 4.538 -9.688 3.101 1.00 0.00 C ATOM 484 O ILE A 32 5.255 -9.398 4.061 1.00 0.00 O ATOM 485 CB ILE A 32 3.401 -11.868 2.608 1.00 0.00 C ATOM 486 CG1 ILE A 32 2.018 -12.487 2.397 1.00 0.00 C ATOM 487 CG2 ILE A 32 4.286 -12.793 3.427 1.00 0.00 C ATOM 488 CD1 ILE A 32 1.761 -12.944 0.980 1.00 0.00 C ATOM 0 H ILE A 32 2.012 -9.849 1.750 1.00 0.00 H new ATOM 0 HA ILE A 32 3.088 -10.659 4.359 1.00 0.00 H new ATOM 0 HB ILE A 32 3.877 -11.727 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.905 -13.338 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.258 -11.758 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.373 -13.755 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.276 -12.349 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.845 -12.939 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.760 -13.371 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.840 -12.093 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.497 -13.698 0.702 1.00 0.00 H new ATOM 500 N ASN A 33 4.795 -9.292 1.863 1.00 0.00 N ATOM 501 CA ASN A 33 5.973 -8.495 1.530 1.00 0.00 C ATOM 502 C ASN A 33 5.619 -7.010 1.514 1.00 0.00 C ATOM 503 O ASN A 33 6.507 -6.155 1.532 1.00 0.00 O ATOM 504 CB ASN A 33 6.544 -8.894 0.162 1.00 0.00 C ATOM 505 CG ASN A 33 6.572 -10.384 -0.066 1.00 0.00 C ATOM 506 OD1 ASN A 33 5.474 -10.918 -0.552 1.00 0.00 O flip ATOM 507 ND2 ASN A 33 7.579 -11.048 0.180 1.00 0.00 N flip ATOM 0 H ASN A 33 4.200 -9.511 1.064 1.00 0.00 H new ATOM 0 HA ASN A 33 6.728 -8.684 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.949 -8.426 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.557 -8.501 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.410 -10.593 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.582 -12.053 0.007 1.00 0.00 H new ATOM 514 N LYS A 34 4.314 -6.735 1.463 1.00 0.00 N ATOM 515 CA LYS A 34 3.774 -5.374 1.487 1.00 0.00 C ATOM 516 C LYS A 34 3.987 -4.665 0.157 1.00 0.00 C ATOM 517 O LYS A 34 4.287 -3.469 0.119 1.00 0.00 O ATOM 518 CB LYS A 34 4.375 -4.549 2.628 1.00 0.00 C ATOM 519 CG LYS A 34 3.562 -4.612 3.907 1.00 0.00 C ATOM 520 CD LYS A 34 4.297 -5.392 4.979 1.00 0.00 C ATOM 521 CE LYS A 34 3.444 -6.522 5.534 1.00 0.00 C ATOM 522 NZ LYS A 34 4.272 -7.650 6.037 1.00 0.00 N ATOM 0 H LYS A 34 3.596 -7.457 1.403 1.00 0.00 H new ATOM 0 HA LYS A 34 2.701 -5.464 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.386 -4.904 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.460 -3.510 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.358 -3.602 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.598 -5.081 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.219 -5.801 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.582 -4.719 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.820 -6.142 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.772 -6.884 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.727 -8.198 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.538 -8.267 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.131 -7.276 6.487 1.00 0.00 H new ATOM 536 N ARG A 35 3.819 -5.393 -0.937 1.00 0.00 N ATOM 537 CA ARG A 35 3.975 -4.810 -2.259 1.00 0.00 C ATOM 538 C ARG A 35 2.655 -4.254 -2.754 1.00 0.00 C ATOM 539 O ARG A 35 1.614 -4.898 -2.633 1.00 0.00 O ATOM 540 CB ARG A 35 4.495 -5.836 -3.260 1.00 0.00 C ATOM 541 CG ARG A 35 5.753 -6.555 -2.806 1.00 0.00 C ATOM 542 CD ARG A 35 6.094 -7.718 -3.725 1.00 0.00 C ATOM 543 NE ARG A 35 6.572 -7.271 -5.035 1.00 0.00 N ATOM 544 CZ ARG A 35 7.075 -8.089 -5.963 1.00 0.00 C ATOM 545 NH1 ARG A 35 7.186 -9.391 -5.720 1.00 0.00 N ATOM 546 NH2 ARG A 35 7.470 -7.599 -7.134 1.00 0.00 N ATOM 0 H ARG A 35 3.576 -6.384 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 35 4.703 -4.003 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.715 -6.573 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.696 -5.336 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.586 -5.853 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.616 -6.922 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.857 -8.338 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.212 -8.344 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 35 6.518 -6.276 -5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.886 -9.769 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.571 -10.012 -6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.389 -6.600 -7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.854 -8.222 -7.844 1.00 0.00 H new ATOM 560 N THR A 36 2.708 -3.068 -3.324 1.00 0.00 N ATOM 561 CA THR A 36 1.522 -2.393 -3.824 1.00 0.00 C ATOM 562 C THR A 36 1.606 -2.223 -5.337 1.00 0.00 C ATOM 563 O THR A 36 2.514 -1.564 -5.842 1.00 0.00 O ATOM 564 CB THR A 36 1.367 -1.004 -3.184 1.00 0.00 C ATOM 565 OG1 THR A 36 2.645 -0.529 -2.733 1.00 0.00 O ATOM 566 CG2 THR A 36 0.390 -1.049 -2.020 1.00 0.00 C ATOM 0 H THR A 36 3.572 -2.543 -3.455 1.00 0.00 H new ATOM 0 HA THR A 36 0.661 -3.009 -3.565 1.00 0.00 H new ATOM 0 HB THR A 36 0.972 -0.321 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.540 0.357 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.297 -0.054 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.585 -1.381 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.756 -1.744 -1.264 1.00 0.00 H new ATOM 574 N THR A 37 0.678 -2.823 -6.054 1.00 0.00 N ATOM 575 CA THR A 37 0.629 -2.662 -7.496 1.00 0.00 C ATOM 576 C THR A 37 -0.749 -2.174 -7.926 1.00 0.00 C ATOM 577 O THR A 37 -1.774 -2.700 -7.488 1.00 0.00 O ATOM 578 CB THR A 37 0.993 -3.967 -8.246 1.00 0.00 C ATOM 579 OG1 THR A 37 0.725 -3.831 -9.650 1.00 0.00 O ATOM 580 CG2 THR A 37 0.221 -5.160 -7.700 1.00 0.00 C ATOM 0 H THR A 37 -0.050 -3.424 -5.666 1.00 0.00 H new ATOM 0 HA THR A 37 1.378 -1.916 -7.763 1.00 0.00 H new ATOM 0 HB THR A 37 2.058 -4.143 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.128 -4.263 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.502 -6.058 -8.250 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.456 -5.293 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.849 -4.984 -7.814 1.00 0.00 H new ATOM 588 N TYR A 38 -0.768 -1.149 -8.765 1.00 0.00 N ATOM 589 CA TYR A 38 -2.019 -0.605 -9.268 1.00 0.00 C ATOM 590 C TYR A 38 -2.428 -1.335 -10.541 1.00 0.00 C ATOM 591 O TYR A 38 -3.457 -1.044 -11.144 1.00 0.00 O ATOM 592 CB TYR A 38 -1.887 0.900 -9.523 1.00 0.00 C ATOM 593 CG TYR A 38 -2.043 1.740 -8.273 1.00 0.00 C ATOM 594 CD1 TYR A 38 -1.101 1.681 -7.253 1.00 0.00 C ATOM 595 CD2 TYR A 38 -3.135 2.582 -8.107 1.00 0.00 C ATOM 596 CE1 TYR A 38 -1.242 2.436 -6.105 1.00 0.00 C ATOM 597 CE2 TYR A 38 -3.283 3.346 -6.963 1.00 0.00 C ATOM 598 CZ TYR A 38 -2.333 3.264 -5.963 1.00 0.00 C ATOM 599 OH TYR A 38 -2.476 4.011 -4.815 1.00 0.00 O ATOM 0 H TYR A 38 0.068 -0.678 -9.111 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.795 -0.753 -8.517 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.912 1.101 -9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.638 1.204 -10.252 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.243 1.033 -7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.882 2.641 -8.885 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.500 2.377 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.134 4.001 -6.853 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.605 4.953 -5.052 1.00 0.00 H new ATOM 609 N LEU A 39 -1.603 -2.293 -10.938 1.00 0.00 N ATOM 610 CA LEU A 39 -1.891 -3.128 -12.087 1.00 0.00 C ATOM 611 C LEU A 39 -2.090 -4.571 -11.646 1.00 0.00 C ATOM 612 O LEU A 39 -1.701 -4.945 -10.538 1.00 0.00 O ATOM 613 CB LEU A 39 -0.759 -3.044 -13.116 1.00 0.00 C ATOM 614 CG LEU A 39 -1.174 -2.549 -14.505 1.00 0.00 C ATOM 615 CD1 LEU A 39 -2.071 -3.561 -15.197 1.00 0.00 C ATOM 616 CD2 LEU A 39 -1.867 -1.197 -14.411 1.00 0.00 C ATOM 0 H LEU A 39 -0.721 -2.510 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.808 -2.768 -12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.014 -2.381 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.310 -4.032 -13.219 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.270 -2.431 -15.103 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.352 -3.186 -16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.537 -4.505 -15.307 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.969 -3.720 -14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.153 -0.865 -15.409 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.758 -1.287 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.187 -0.470 -13.967 1.00 0.00 H new ATOM 628 N ASP A 40 -2.684 -5.369 -12.519 1.00 0.00 N ATOM 629 CA ASP A 40 -2.978 -6.770 -12.225 1.00 0.00 C ATOM 630 C ASP A 40 -1.681 -7.579 -12.084 1.00 0.00 C ATOM 631 O ASP A 40 -0.867 -7.631 -13.012 1.00 0.00 O ATOM 632 CB ASP A 40 -3.873 -7.344 -13.329 1.00 0.00 C ATOM 633 CG ASP A 40 -4.109 -8.842 -13.234 1.00 0.00 C ATOM 634 OD1 ASP A 40 -3.769 -9.455 -12.205 1.00 0.00 O ATOM 635 OD2 ASP A 40 -4.663 -9.412 -14.204 1.00 0.00 O ATOM 0 H ASP A 40 -2.977 -5.069 -13.449 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.507 -6.836 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.836 -6.835 -13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.423 -7.120 -14.297 1.00 0.00 H new ATOM 640 N PRO A 41 -1.475 -8.209 -10.912 1.00 0.00 N ATOM 641 CA PRO A 41 -0.249 -8.946 -10.599 1.00 0.00 C ATOM 642 C PRO A 41 -0.101 -10.246 -11.384 1.00 0.00 C ATOM 643 O PRO A 41 0.995 -10.790 -11.484 1.00 0.00 O ATOM 644 CB PRO A 41 -0.368 -9.255 -9.100 1.00 0.00 C ATOM 645 CG PRO A 41 -1.534 -8.463 -8.608 1.00 0.00 C ATOM 646 CD PRO A 41 -2.423 -8.240 -9.789 1.00 0.00 C ATOM 0 HA PRO A 41 0.628 -8.356 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.522 -10.321 -8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.544 -8.977 -8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.063 -8.999 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.207 -7.514 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.155 -9.040 -9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.980 -7.307 -9.705 1.00 0.00 H new ATOM 654 N ARG A 42 -1.191 -10.748 -11.948 1.00 0.00 N ATOM 655 CA ARG A 42 -1.139 -12.014 -12.673 1.00 0.00 C ATOM 656 C ARG A 42 -0.789 -11.786 -14.143 1.00 0.00 C ATOM 657 O ARG A 42 -0.802 -12.718 -14.951 1.00 0.00 O ATOM 658 CB ARG A 42 -2.467 -12.778 -12.536 1.00 0.00 C ATOM 659 CG ARG A 42 -3.582 -12.251 -13.421 1.00 0.00 C ATOM 660 CD ARG A 42 -4.781 -13.192 -13.442 1.00 0.00 C ATOM 661 NE ARG A 42 -5.588 -13.120 -12.221 1.00 0.00 N ATOM 662 CZ ARG A 42 -6.361 -12.084 -11.878 1.00 0.00 C ATOM 663 NH1 ARG A 42 -6.347 -10.961 -12.585 1.00 0.00 N ATOM 664 NH2 ARG A 42 -7.128 -12.164 -10.799 1.00 0.00 N ATOM 0 H ARG A 42 -2.110 -10.307 -11.920 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.352 -12.625 -12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.295 -13.828 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.792 -12.735 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.896 -11.270 -13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.208 -12.116 -14.436 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.409 -12.952 -14.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.430 -14.215 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.558 -13.918 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.741 -10.880 -13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.942 -10.179 -12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.127 -13.013 -10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.719 -11.376 -10.534 1.00 0.00 H new ATOM 678 N LEU A 43 -0.476 -10.542 -14.487 1.00 0.00 N ATOM 679 CA LEU A 43 -0.090 -10.209 -15.852 1.00 0.00 C ATOM 680 C LEU A 43 1.414 -10.369 -16.062 1.00 0.00 C ATOM 681 O LEU A 43 1.900 -11.462 -16.346 1.00 0.00 O ATOM 682 CB LEU A 43 -0.509 -8.784 -16.197 1.00 0.00 C ATOM 683 CG LEU A 43 -2.014 -8.528 -16.194 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.293 -7.043 -16.319 1.00 0.00 C ATOM 685 CD2 LEU A 43 -2.690 -9.300 -17.318 1.00 0.00 C ATOM 0 H LEU A 43 -0.482 -9.751 -13.843 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.605 -10.904 -16.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.040 -8.103 -15.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.117 -8.536 -17.183 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.425 -8.878 -15.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.370 -6.874 -16.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.840 -6.516 -15.479 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.870 -6.671 -17.252 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.762 -9.105 -17.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.279 -8.982 -18.276 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.513 -10.367 -17.184 1.00 0.00 H new ATOM 697 N ALA A 44 2.149 -9.273 -15.895 1.00 0.00 N ATOM 698 CA ALA A 44 3.576 -9.247 -16.215 1.00 0.00 C ATOM 699 C ALA A 44 4.427 -9.742 -15.055 1.00 0.00 C ATOM 700 O ALA A 44 5.657 -9.731 -15.121 1.00 0.00 O ATOM 701 CB ALA A 44 4.001 -7.843 -16.622 1.00 0.00 C ATOM 0 H ALA A 44 1.781 -8.390 -15.540 1.00 0.00 H new ATOM 0 HA ALA A 44 3.737 -9.926 -17.052 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.065 -7.839 -16.857 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.434 -7.531 -17.499 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.808 -7.152 -15.801 1.00 0.00 H new ATOM 707 N PHE A 45 3.772 -10.179 -13.994 1.00 0.00 N ATOM 708 CA PHE A 45 4.470 -10.685 -12.816 1.00 0.00 C ATOM 709 C PHE A 45 4.358 -12.203 -12.754 1.00 0.00 C ATOM 710 O PHE A 45 4.766 -12.832 -11.776 1.00 0.00 O ATOM 711 CB PHE A 45 3.901 -10.069 -11.530 1.00 0.00 C ATOM 712 CG PHE A 45 3.848 -8.565 -11.531 1.00 0.00 C ATOM 713 CD1 PHE A 45 2.780 -7.892 -12.105 1.00 0.00 C ATOM 714 CD2 PHE A 45 4.865 -7.827 -10.946 1.00 0.00 C ATOM 715 CE1 PHE A 45 2.725 -6.513 -12.094 1.00 0.00 C ATOM 716 CE2 PHE A 45 4.814 -6.446 -10.936 1.00 0.00 C ATOM 717 CZ PHE A 45 3.746 -5.787 -11.513 1.00 0.00 C ATOM 0 H PHE A 45 2.755 -10.195 -13.920 1.00 0.00 H new ATOM 0 HA PHE A 45 5.520 -10.402 -12.897 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.894 -10.456 -11.371 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.506 -10.398 -10.685 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.981 -8.454 -12.566 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.704 -8.335 -10.494 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.884 -6.002 -12.539 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.611 -5.881 -10.476 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.710 -4.708 -11.510 1.00 0.00 H new ATOM 727 N THR A 46 3.782 -12.783 -13.802 1.00 0.00 N ATOM 728 CA THR A 46 3.614 -14.226 -13.888 1.00 0.00 C ATOM 729 C THR A 46 3.723 -14.707 -15.329 1.00 0.00 C ATOM 730 O THR A 46 2.774 -14.589 -16.102 1.00 0.00 O ATOM 731 CB THR A 46 2.256 -14.673 -13.314 1.00 0.00 C ATOM 732 OG1 THR A 46 1.805 -13.739 -12.324 1.00 0.00 O ATOM 733 CG2 THR A 46 2.360 -16.062 -12.700 1.00 0.00 C ATOM 0 H THR A 46 3.422 -12.271 -14.607 1.00 0.00 H new ATOM 0 HA THR A 46 4.414 -14.670 -13.295 1.00 0.00 H new ATOM 0 HB THR A 46 1.536 -14.706 -14.132 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.135 -14.167 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.389 -16.357 -12.301 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.670 -16.775 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.095 -16.050 -11.895 1.00 0.00 H new ATOM 741 N VAL A 47 4.902 -15.221 -15.679 1.00 0.00 N ATOM 742 CA VAL A 47 5.164 -15.825 -16.986 1.00 0.00 C ATOM 743 C VAL A 47 5.358 -14.771 -18.081 1.00 0.00 C ATOM 744 O VAL A 47 4.850 -13.649 -17.977 1.00 0.00 O ATOM 745 CB VAL A 47 4.056 -16.849 -17.387 1.00 0.00 C ATOM 746 CG1 VAL A 47 3.272 -16.413 -18.621 1.00 0.00 C ATOM 747 CG2 VAL A 47 4.672 -18.217 -17.610 1.00 0.00 C ATOM 0 H VAL A 47 5.710 -15.230 -15.057 1.00 0.00 H new ATOM 0 HA VAL A 47 6.102 -16.372 -16.889 1.00 0.00 H new ATOM 0 HB VAL A 47 3.345 -16.896 -16.562 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.515 -17.162 -18.855 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.788 -15.456 -18.425 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.952 -16.309 -19.466 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.893 -18.926 -17.889 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.411 -18.157 -18.409 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.155 -18.552 -16.692 1.00 0.00 H new ATOM 757 N ASP A 48 6.123 -15.144 -19.109 1.00 0.00 N ATOM 758 CA ASP A 48 6.399 -14.282 -20.262 1.00 0.00 C ATOM 759 C ASP A 48 7.324 -13.134 -19.879 1.00 0.00 C ATOM 760 O ASP A 48 6.879 -12.031 -19.552 1.00 0.00 O ATOM 761 CB ASP A 48 5.105 -13.748 -20.888 1.00 0.00 C ATOM 762 CG ASP A 48 5.308 -13.250 -22.304 1.00 0.00 C ATOM 763 OD1 ASP A 48 5.975 -13.952 -23.097 1.00 0.00 O ATOM 764 OD2 ASP A 48 4.798 -12.157 -22.632 1.00 0.00 O ATOM 0 H ASP A 48 6.572 -16.058 -19.166 1.00 0.00 H new ATOM 0 HA ASP A 48 6.904 -14.893 -21.010 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.353 -14.537 -20.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.716 -12.936 -20.273 1.00 0.00 H new ATOM 769 N ASP A 49 8.618 -13.410 -19.931 1.00 0.00 N ATOM 770 CA ASP A 49 9.635 -12.434 -19.562 1.00 0.00 C ATOM 771 C ASP A 49 9.757 -11.357 -20.634 1.00 0.00 C ATOM 772 O ASP A 49 9.797 -11.661 -21.829 1.00 0.00 O ATOM 773 CB ASP A 49 10.984 -13.133 -19.369 1.00 0.00 C ATOM 774 CG ASP A 49 11.737 -12.626 -18.159 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.272 -11.497 -18.216 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.802 -13.356 -17.146 1.00 0.00 O ATOM 0 H ASP A 49 8.993 -14.311 -20.228 1.00 0.00 H new ATOM 0 HA ASP A 49 9.339 -11.961 -18.626 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.821 -14.206 -19.267 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.595 -12.987 -20.260 1.00 0.00 H new ATOM 781 N ASN A 50 9.807 -10.103 -20.204 1.00 0.00 N ATOM 782 CA ASN A 50 9.927 -8.976 -21.127 1.00 0.00 C ATOM 783 C ASN A 50 10.264 -7.679 -20.385 1.00 0.00 C ATOM 784 O ASN A 50 11.219 -6.994 -20.759 1.00 0.00 O ATOM 785 CB ASN A 50 8.652 -8.786 -21.959 1.00 0.00 C ATOM 786 CG ASN A 50 8.798 -7.664 -22.971 1.00 0.00 C ATOM 787 OD1 ASN A 50 9.838 -7.519 -23.611 1.00 0.00 O ATOM 788 ND2 ASN A 50 7.756 -6.867 -23.124 1.00 0.00 N ATOM 0 H ASN A 50 9.766 -9.838 -19.220 1.00 0.00 H new ATOM 0 HA ASN A 50 10.747 -9.212 -21.805 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.416 -9.715 -22.478 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.815 -8.570 -21.296 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.796 -6.098 -23.793 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.911 -7.021 -22.574 1.00 0.00 H new ATOM 795 N PRO A 51 9.492 -7.303 -19.332 1.00 0.00 N ATOM 796 CA PRO A 51 9.775 -6.086 -18.555 1.00 0.00 C ATOM 797 C PRO A 51 10.992 -6.246 -17.640 1.00 0.00 C ATOM 798 O PRO A 51 10.924 -6.005 -16.435 1.00 0.00 O ATOM 799 CB PRO A 51 8.497 -5.885 -17.730 1.00 0.00 C ATOM 800 CG PRO A 51 7.931 -7.250 -17.569 1.00 0.00 C ATOM 801 CD PRO A 51 8.289 -8.003 -18.823 1.00 0.00 C ATOM 0 HA PRO A 51 10.019 -5.239 -19.197 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.717 -5.431 -16.764 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.797 -5.224 -18.240 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.344 -7.742 -16.688 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.850 -7.210 -17.434 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.497 -9.052 -18.613 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.476 -7.978 -19.549 1.00 0.00 H new ATOM 809 N THR A 52 12.107 -6.652 -18.228 1.00 0.00 N ATOM 810 CA THR A 52 13.344 -6.843 -17.490 1.00 0.00 C ATOM 811 C THR A 52 14.277 -5.648 -17.679 1.00 0.00 C ATOM 812 O THR A 52 15.500 -5.798 -17.749 1.00 0.00 O ATOM 813 CB THR A 52 14.046 -8.135 -17.945 1.00 0.00 C ATOM 814 OG1 THR A 52 13.220 -8.827 -18.899 1.00 0.00 O ATOM 815 CG2 THR A 52 14.322 -9.039 -16.754 1.00 0.00 C ATOM 0 H THR A 52 12.179 -6.857 -19.225 1.00 0.00 H new ATOM 0 HA THR A 52 13.098 -6.928 -16.431 1.00 0.00 H new ATOM 0 HB THR A 52 14.996 -7.871 -18.411 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.963 -9.701 -18.537 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.819 -9.948 -17.094 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.964 -8.519 -16.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.381 -9.300 -16.269 1.00 0.00 H new ATOM 823 N LYS A 53 13.683 -4.463 -17.768 1.00 0.00 N ATOM 824 CA LYS A 53 14.430 -3.222 -17.929 1.00 0.00 C ATOM 825 C LYS A 53 13.559 -2.040 -17.514 1.00 0.00 C ATOM 826 O LYS A 53 12.683 -1.613 -18.270 1.00 0.00 O ATOM 827 CB LYS A 53 14.893 -3.052 -19.383 1.00 0.00 C ATOM 828 CG LYS A 53 16.386 -3.252 -19.580 1.00 0.00 C ATOM 829 CD LYS A 53 17.203 -2.285 -18.737 1.00 0.00 C ATOM 830 CE LYS A 53 18.692 -2.554 -18.864 1.00 0.00 C ATOM 831 NZ LYS A 53 19.372 -2.545 -17.542 1.00 0.00 N ATOM 0 H LYS A 53 12.672 -4.336 -17.731 1.00 0.00 H new ATOM 0 HA LYS A 53 15.313 -3.260 -17.291 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.355 -3.762 -20.011 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.621 -2.054 -19.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.653 -4.276 -19.319 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.635 -3.116 -20.632 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.990 -1.262 -19.046 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.905 -2.371 -17.692 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.847 -3.520 -19.345 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.143 -1.800 -19.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.387 -2.732 -17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.246 -1.615 -17.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.959 -3.281 -16.934 1.00 0.00 H new ATOM 845 N PRO A 54 13.772 -1.520 -16.299 1.00 0.00 N ATOM 846 CA PRO A 54 12.972 -0.431 -15.741 1.00 0.00 C ATOM 847 C PRO A 54 13.360 0.928 -16.320 1.00 0.00 C ATOM 848 O PRO A 54 12.566 1.497 -17.097 1.00 0.00 O ATOM 849 CB PRO A 54 13.282 -0.481 -14.234 1.00 0.00 C ATOM 850 CG PRO A 54 14.179 -1.667 -14.036 1.00 0.00 C ATOM 851 CD PRO A 54 14.816 -1.944 -15.367 1.00 0.00 C ATOM 852 OXT PRO A 54 14.462 1.420 -15.996 1.00 0.00 O ATOM 0 HA PRO A 54 11.913 -0.550 -15.971 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.770 0.437 -13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.367 -0.582 -13.650 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.935 -1.460 -13.279 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.611 -2.530 -13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.738 -1.379 -15.503 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.067 -2.998 -15.488 1.00 0.00 H new TER 860 PRO A 54