USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot -173:sc= -0.419 USER MOD Set 2.2: A 36 ASN : amide:sc= -3.3! C(o=-3.7!,f=-14!) USER MOD Set 3.1: A 6 SER OG : rot -91:sc= 0.358 USER MOD Set 3.2: A 9 SER OG : rot 29:sc= 0.486 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 42:sc= 0.196 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 12:sc= 0.622 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 10:sc= 0.54 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.45 K(o=-3.4,f=-9.9!) USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= -0.295 (180deg=-1.05) USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= -0.57 (180deg=-1.53) USER MOD Single : A 45 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 47 SER OG : rot -4:sc= -0.0411 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.72 F(o=-1.7!,f=-0.72) USER MOD Single : A 52 CYS SG : rot -154:sc= -6.41! USER MOD Single : A 53 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 72:sc= 0.0773! USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 84 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-0.96) USER MOD Single : A 89 SER OG : rot 24:sc= 0.263 USER MOD Single : A 90 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.44) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 35:sc= 0.836 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.078 -11.956 3.893 1.00 0.00 N ATOM 2 CA GLY A 1 -18.440 -10.652 3.934 1.00 0.00 C ATOM 3 C GLY A 1 -19.367 -9.607 4.557 1.00 0.00 C ATOM 4 O GLY A 1 -19.907 -9.818 5.642 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.428 -12.647 3.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.316 -12.256 4.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.947 -11.900 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.516 -10.713 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.167 -10.345 2.924 1.00 0.00 H new ATOM 8 N SER A 2 -19.524 -8.501 3.844 1.00 0.00 N ATOM 9 CA SER A 2 -20.377 -7.423 4.313 1.00 0.00 C ATOM 10 C SER A 2 -19.854 -6.884 5.646 1.00 0.00 C ATOM 11 O SER A 2 -19.969 -7.547 6.675 1.00 0.00 O ATOM 12 CB SER A 2 -21.826 -7.891 4.462 1.00 0.00 C ATOM 13 OG SER A 2 -22.718 -7.137 3.645 1.00 0.00 O ATOM 0 H SER A 2 -19.075 -8.329 2.945 1.00 0.00 H new ATOM 0 HA SER A 2 -20.356 -6.624 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.895 -8.946 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.129 -7.804 5.505 1.00 0.00 H new ATOM 0 HG SER A 2 -23.632 -7.468 3.767 1.00 0.00 H new ATOM 19 N SER A 3 -19.290 -5.687 5.583 1.00 0.00 N ATOM 20 CA SER A 3 -18.749 -5.051 6.773 1.00 0.00 C ATOM 21 C SER A 3 -18.501 -3.565 6.506 1.00 0.00 C ATOM 22 O SER A 3 -18.290 -3.163 5.363 1.00 0.00 O ATOM 23 CB SER A 3 -17.454 -5.733 7.220 1.00 0.00 C ATOM 24 OG SER A 3 -17.283 -5.679 8.634 1.00 0.00 O ATOM 0 H SER A 3 -19.196 -5.141 4.727 1.00 0.00 H new ATOM 0 HA SER A 3 -19.478 -5.152 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.461 -6.773 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.605 -5.253 6.733 1.00 0.00 H new ATOM 0 HG SER A 3 -16.446 -6.126 8.880 1.00 0.00 H new ATOM 30 N GLY A 4 -18.536 -2.790 7.580 1.00 0.00 N ATOM 31 CA GLY A 4 -18.318 -1.357 7.476 1.00 0.00 C ATOM 32 C GLY A 4 -16.900 -1.052 6.991 1.00 0.00 C ATOM 33 O GLY A 4 -15.962 -1.786 7.301 1.00 0.00 O ATOM 0 H GLY A 4 -18.712 -3.127 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.043 -0.924 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.483 -0.889 8.447 1.00 0.00 H new ATOM 37 N SER A 5 -16.786 0.033 6.239 1.00 0.00 N ATOM 38 CA SER A 5 -15.497 0.444 5.709 1.00 0.00 C ATOM 39 C SER A 5 -15.104 1.805 6.287 1.00 0.00 C ATOM 40 O SER A 5 -14.056 1.936 6.918 1.00 0.00 O ATOM 41 CB SER A 5 -15.524 0.504 4.180 1.00 0.00 C ATOM 42 OG SER A 5 -15.360 -0.783 3.592 1.00 0.00 O ATOM 0 H SER A 5 -17.565 0.640 5.984 1.00 0.00 H new ATOM 0 HA SER A 5 -14.754 -0.297 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.470 0.935 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.733 1.166 3.829 1.00 0.00 H new ATOM 0 HG SER A 5 -15.385 -0.702 2.616 1.00 0.00 H new ATOM 48 N SER A 6 -15.965 2.784 6.050 1.00 0.00 N ATOM 49 CA SER A 6 -15.721 4.130 6.539 1.00 0.00 C ATOM 50 C SER A 6 -14.455 4.699 5.896 1.00 0.00 C ATOM 51 O SER A 6 -13.622 3.950 5.389 1.00 0.00 O ATOM 52 CB SER A 6 -15.595 4.148 8.064 1.00 0.00 C ATOM 53 OG SER A 6 -16.557 5.008 8.669 1.00 0.00 O ATOM 0 H SER A 6 -16.833 2.672 5.526 1.00 0.00 H new ATOM 0 HA SER A 6 -16.572 4.753 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.720 3.136 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.592 4.474 8.341 1.00 0.00 H new ATOM 0 HG SER A 6 -16.178 5.907 8.765 1.00 0.00 H new ATOM 59 N GLY A 7 -14.351 6.019 5.936 1.00 0.00 N ATOM 60 CA GLY A 7 -13.201 6.697 5.363 1.00 0.00 C ATOM 61 C GLY A 7 -12.789 7.897 6.219 1.00 0.00 C ATOM 62 O GLY A 7 -13.603 8.779 6.491 1.00 0.00 O ATOM 0 H GLY A 7 -15.045 6.637 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.367 6.000 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.437 7.031 4.353 1.00 0.00 H new ATOM 66 N VAL A 8 -11.526 7.892 6.620 1.00 0.00 N ATOM 67 CA VAL A 8 -10.997 8.969 7.439 1.00 0.00 C ATOM 68 C VAL A 8 -12.040 9.369 8.484 1.00 0.00 C ATOM 69 O VAL A 8 -12.434 10.532 8.559 1.00 0.00 O ATOM 70 CB VAL A 8 -10.561 10.136 6.551 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.362 9.748 5.684 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.724 10.632 5.688 1.00 0.00 C ATOM 0 H VAL A 8 -10.854 7.159 6.393 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.109 8.639 7.977 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.253 10.955 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.073 10.596 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.526 9.465 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.631 8.906 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.388 11.462 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.076 9.821 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.537 10.967 6.331 1.00 0.00 H new ATOM 82 N SER A 9 -12.458 8.383 9.264 1.00 0.00 N ATOM 83 CA SER A 9 -13.448 8.618 10.301 1.00 0.00 C ATOM 84 C SER A 9 -12.801 8.489 11.681 1.00 0.00 C ATOM 85 O SER A 9 -11.715 7.926 11.811 1.00 0.00 O ATOM 86 CB SER A 9 -14.622 7.646 10.172 1.00 0.00 C ATOM 87 OG SER A 9 -15.284 7.771 8.917 1.00 0.00 O ATOM 0 H SER A 9 -12.129 7.420 9.199 1.00 0.00 H new ATOM 0 HA SER A 9 -13.835 9.630 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.261 6.624 10.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.334 7.829 10.977 1.00 0.00 H new ATOM 0 HG SER A 9 -14.646 8.081 8.240 1.00 0.00 H new ATOM 93 N GLY A 10 -13.495 9.020 12.677 1.00 0.00 N ATOM 94 CA GLY A 10 -13.001 8.971 14.043 1.00 0.00 C ATOM 95 C GLY A 10 -12.051 10.136 14.324 1.00 0.00 C ATOM 96 O GLY A 10 -11.388 10.635 13.416 1.00 0.00 O ATOM 0 H GLY A 10 -14.395 9.486 12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.840 9.005 14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.484 8.026 14.213 1.00 0.00 H new ATOM 100 N ARG A 11 -12.014 10.536 15.587 1.00 0.00 N ATOM 101 CA ARG A 11 -11.156 11.634 15.999 1.00 0.00 C ATOM 102 C ARG A 11 -9.711 11.152 16.143 1.00 0.00 C ATOM 103 O ARG A 11 -9.468 9.977 16.416 1.00 0.00 O ATOM 104 CB ARG A 11 -11.623 12.228 17.330 1.00 0.00 C ATOM 105 CG ARG A 11 -12.877 13.083 17.138 1.00 0.00 C ATOM 106 CD ARG A 11 -12.831 14.331 18.022 1.00 0.00 C ATOM 107 NE ARG A 11 -14.172 14.952 18.091 1.00 0.00 N ATOM 108 CZ ARG A 11 -14.414 16.163 18.611 1.00 0.00 C ATOM 109 NH1 ARG A 11 -13.405 16.890 19.111 1.00 0.00 N ATOM 110 NH2 ARG A 11 -15.663 16.647 18.631 1.00 0.00 N ATOM 0 H ARG A 11 -12.564 10.119 16.338 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.211 12.405 15.231 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.830 11.425 18.038 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.827 12.835 17.761 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.964 13.377 16.092 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.763 12.495 17.379 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.492 14.065 19.023 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.111 15.044 17.621 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.962 14.425 17.719 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.454 16.521 19.095 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.588 17.812 19.507 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.431 16.094 18.250 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.846 17.569 19.027 1.00 0.00 H new ATOM 124 N GLU A 12 -8.788 12.084 15.953 1.00 0.00 N ATOM 125 CA GLU A 12 -7.374 11.769 16.059 1.00 0.00 C ATOM 126 C GLU A 12 -6.998 10.672 15.060 1.00 0.00 C ATOM 127 O GLU A 12 -7.852 9.895 14.637 1.00 0.00 O ATOM 128 CB GLU A 12 -7.008 11.359 17.487 1.00 0.00 C ATOM 129 CG GLU A 12 -6.932 12.581 18.405 1.00 0.00 C ATOM 130 CD GLU A 12 -8.276 12.837 19.089 1.00 0.00 C ATOM 131 OE1 GLU A 12 -8.610 12.046 19.998 1.00 0.00 O ATOM 132 OE2 GLU A 12 -8.940 13.817 18.688 1.00 0.00 O ATOM 0 H GLU A 12 -8.992 13.057 15.726 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.803 12.666 15.817 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.750 10.658 17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.049 10.840 17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.160 12.427 19.159 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.642 13.458 17.826 1.00 0.00 H new ATOM 139 N PRO A 13 -5.686 10.644 14.704 1.00 0.00 N ATOM 140 CA PRO A 13 -5.187 9.656 13.763 1.00 0.00 C ATOM 141 C PRO A 13 -5.073 8.280 14.423 1.00 0.00 C ATOM 142 O PRO A 13 -4.940 8.181 15.642 1.00 0.00 O ATOM 143 CB PRO A 13 -3.849 10.201 13.292 1.00 0.00 C ATOM 144 CG PRO A 13 -3.433 11.235 14.326 1.00 0.00 C ATOM 145 CD PRO A 13 -4.646 11.549 15.185 1.00 0.00 C ATOM 0 HA PRO A 13 -5.859 9.503 12.918 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.108 9.405 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.937 10.651 12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.618 10.853 14.941 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.067 12.138 13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.436 11.385 16.242 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.948 12.591 15.078 1.00 0.00 H new ATOM 153 N SER A 14 -5.130 7.252 13.588 1.00 0.00 N ATOM 154 CA SER A 14 -5.035 5.886 14.075 1.00 0.00 C ATOM 155 C SER A 14 -3.572 5.440 14.099 1.00 0.00 C ATOM 156 O SER A 14 -2.930 5.348 13.054 1.00 0.00 O ATOM 157 CB SER A 14 -5.866 4.935 13.212 1.00 0.00 C ATOM 158 OG SER A 14 -5.573 5.079 11.825 1.00 0.00 O ATOM 0 H SER A 14 -5.241 7.338 12.578 1.00 0.00 H new ATOM 0 HA SER A 14 -5.434 5.855 15.089 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.674 3.907 13.518 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.926 5.125 13.380 1.00 0.00 H new ATOM 0 HG SER A 14 -4.605 5.173 11.703 1.00 0.00 H new ATOM 164 N SER A 15 -3.087 5.175 15.303 1.00 0.00 N ATOM 165 CA SER A 15 -1.711 4.741 15.477 1.00 0.00 C ATOM 166 C SER A 15 -0.753 5.813 14.953 1.00 0.00 C ATOM 167 O SER A 15 -1.189 6.830 14.415 1.00 0.00 O ATOM 168 CB SER A 15 -1.459 3.411 14.764 1.00 0.00 C ATOM 169 OG SER A 15 -2.671 2.805 14.321 1.00 0.00 O ATOM 0 H SER A 15 -3.622 5.252 16.168 1.00 0.00 H new ATOM 0 HA SER A 15 -1.532 4.592 16.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.803 3.576 13.910 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.939 2.731 15.438 1.00 0.00 H new ATOM 0 HG SER A 15 -2.481 1.907 13.977 1.00 0.00 H new ATOM 175 N ARG A 16 0.533 5.549 15.129 1.00 0.00 N ATOM 176 CA ARG A 16 1.556 6.479 14.681 1.00 0.00 C ATOM 177 C ARG A 16 1.815 6.302 13.184 1.00 0.00 C ATOM 178 O ARG A 16 2.040 5.187 12.717 1.00 0.00 O ATOM 179 CB ARG A 16 2.864 6.270 15.447 1.00 0.00 C ATOM 180 CG ARG A 16 3.578 7.602 15.686 1.00 0.00 C ATOM 181 CD ARG A 16 5.087 7.460 15.475 1.00 0.00 C ATOM 182 NE ARG A 16 5.811 8.427 16.331 1.00 0.00 N ATOM 183 CZ ARG A 16 7.137 8.417 16.518 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.893 7.492 15.912 1.00 0.00 N ATOM 185 NH2 ARG A 16 7.708 9.333 17.313 1.00 0.00 N ATOM 0 H ARG A 16 0.890 4.704 15.576 1.00 0.00 H new ATOM 0 HA ARG A 16 1.194 7.489 14.873 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.657 5.788 16.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.515 5.600 14.886 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.182 8.358 15.008 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.380 7.948 16.700 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.402 6.444 15.713 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.334 7.633 14.428 1.00 0.00 H new ATOM 0 HE ARG A 16 5.266 9.145 16.808 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.459 6.795 15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.903 7.485 16.055 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.133 10.037 17.775 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.718 9.326 17.456 1.00 0.00 H new ATOM 199 N ILE A 17 1.775 7.419 12.473 1.00 0.00 N ATOM 200 CA ILE A 17 2.002 7.401 11.038 1.00 0.00 C ATOM 201 C ILE A 17 3.505 7.482 10.763 1.00 0.00 C ATOM 202 O ILE A 17 4.268 7.961 11.601 1.00 0.00 O ATOM 203 CB ILE A 17 1.192 8.503 10.353 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.249 8.524 10.866 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.256 8.366 8.830 1.00 0.00 C ATOM 206 CD1 ILE A 17 -0.987 7.240 10.480 1.00 0.00 C ATOM 0 H ILE A 17 1.589 8.343 12.864 1.00 0.00 H new ATOM 0 HA ILE A 17 1.648 6.464 10.608 1.00 0.00 H new ATOM 0 HB ILE A 17 1.639 9.464 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.251 8.637 11.950 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.773 9.387 10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.672 9.162 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.293 8.439 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.849 7.399 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.009 7.281 10.857 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.004 7.142 9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.474 6.381 10.914 1.00 0.00 H new ATOM 218 N ILE A 18 3.886 7.007 9.587 1.00 0.00 N ATOM 219 CA ILE A 18 5.284 7.020 9.191 1.00 0.00 C ATOM 220 C ILE A 18 5.388 7.403 7.714 1.00 0.00 C ATOM 221 O ILE A 18 4.451 7.192 6.946 1.00 0.00 O ATOM 222 CB ILE A 18 5.948 5.683 9.528 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.105 4.509 9.025 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.241 5.579 11.026 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.969 3.265 8.814 1.00 0.00 C ATOM 0 H ILE A 18 3.251 6.610 8.895 1.00 0.00 H new ATOM 0 HA ILE A 18 5.833 7.774 9.755 1.00 0.00 H new ATOM 0 HB ILE A 18 6.905 5.637 9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.315 4.290 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.618 4.781 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.713 4.620 11.239 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.911 6.386 11.323 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.309 5.657 11.585 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.346 2.445 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.743 3.480 8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.435 2.981 9.758 1.00 0.00 H new ATOM 237 N ARG A 19 6.538 7.959 7.359 1.00 0.00 N ATOM 238 CA ARG A 19 6.776 8.374 5.987 1.00 0.00 C ATOM 239 C ARG A 19 7.415 7.233 5.192 1.00 0.00 C ATOM 240 O ARG A 19 8.609 6.971 5.325 1.00 0.00 O ATOM 241 CB ARG A 19 7.692 9.598 5.933 1.00 0.00 C ATOM 242 CG ARG A 19 7.967 10.014 4.487 1.00 0.00 C ATOM 243 CD ARG A 19 9.127 11.010 4.414 1.00 0.00 C ATOM 244 NE ARG A 19 10.127 10.550 3.425 1.00 0.00 N ATOM 245 CZ ARG A 19 11.321 11.130 3.238 1.00 0.00 C ATOM 246 NH1 ARG A 19 11.670 12.196 3.972 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.165 10.644 2.318 1.00 0.00 N ATOM 0 H ARG A 19 7.314 8.131 7.998 1.00 0.00 H new ATOM 0 HA ARG A 19 5.813 8.635 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.231 10.426 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.633 9.375 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.201 9.133 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.071 10.462 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.754 11.995 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.593 11.111 5.394 1.00 0.00 H new ATOM 0 HE ARG A 19 9.893 9.741 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.027 12.565 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.578 12.638 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.899 9.833 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.074 11.085 2.176 1.00 0.00 H new ATOM 261 N VAL A 20 6.590 6.586 4.381 1.00 0.00 N ATOM 262 CA VAL A 20 7.059 5.480 3.564 1.00 0.00 C ATOM 263 C VAL A 20 7.193 5.944 2.113 1.00 0.00 C ATOM 264 O VAL A 20 6.218 6.387 1.507 1.00 0.00 O ATOM 265 CB VAL A 20 6.125 4.278 3.724 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.581 3.109 2.849 1.00 0.00 C ATOM 267 CG2 VAL A 20 6.020 3.857 5.191 1.00 0.00 C ATOM 0 H VAL A 20 5.600 6.807 4.273 1.00 0.00 H new ATOM 0 HA VAL A 20 8.046 5.154 3.893 1.00 0.00 H new ATOM 0 HB VAL A 20 5.132 4.578 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.900 2.268 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.580 3.415 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.588 2.809 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.351 3.001 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.008 3.584 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.627 4.686 5.780 1.00 0.00 H new ATOM 277 N SER A 21 8.407 5.827 1.597 1.00 0.00 N ATOM 278 CA SER A 21 8.681 6.229 0.228 1.00 0.00 C ATOM 279 C SER A 21 8.150 5.173 -0.744 1.00 0.00 C ATOM 280 O SER A 21 8.693 4.072 -0.828 1.00 0.00 O ATOM 281 CB SER A 21 10.179 6.449 0.007 1.00 0.00 C ATOM 282 OG SER A 21 10.639 7.649 0.622 1.00 0.00 O ATOM 0 H SER A 21 9.213 5.459 2.103 1.00 0.00 H new ATOM 0 HA SER A 21 8.172 7.174 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.733 5.601 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.386 6.487 -1.063 1.00 0.00 H new ATOM 0 HG SER A 21 11.600 7.752 0.460 1.00 0.00 H new ATOM 288 N VAL A 22 7.096 5.545 -1.455 1.00 0.00 N ATOM 289 CA VAL A 22 6.486 4.644 -2.417 1.00 0.00 C ATOM 290 C VAL A 22 7.158 4.828 -3.779 1.00 0.00 C ATOM 291 O VAL A 22 7.136 5.920 -4.344 1.00 0.00 O ATOM 292 CB VAL A 22 4.973 4.871 -2.462 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.354 4.196 -3.687 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.308 4.385 -1.173 1.00 0.00 C ATOM 0 H VAL A 22 6.649 6.459 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 22 6.637 3.607 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 22 4.797 5.943 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.278 4.373 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.797 4.610 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.545 3.124 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.233 4.558 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.498 3.319 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.718 4.931 -0.324 1.00 0.00 H new ATOM 304 N LYS A 23 7.741 3.743 -4.267 1.00 0.00 N ATOM 305 CA LYS A 23 8.419 3.771 -5.552 1.00 0.00 C ATOM 306 C LYS A 23 7.494 3.192 -6.625 1.00 0.00 C ATOM 307 O LYS A 23 7.117 2.023 -6.559 1.00 0.00 O ATOM 308 CB LYS A 23 9.772 3.063 -5.460 1.00 0.00 C ATOM 309 CG LYS A 23 10.849 3.838 -6.221 1.00 0.00 C ATOM 310 CD LYS A 23 11.396 4.991 -5.376 1.00 0.00 C ATOM 311 CE LYS A 23 12.925 5.015 -5.405 1.00 0.00 C ATOM 312 NZ LYS A 23 13.428 6.371 -5.087 1.00 0.00 N ATOM 0 H LYS A 23 7.758 2.839 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 23 8.642 4.798 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.063 2.961 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.688 2.055 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.662 3.165 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.433 4.229 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.007 5.938 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.050 4.889 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.320 4.296 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.281 4.710 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.468 6.370 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.066 7.049 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.104 6.648 -4.138 1.00 0.00 H new ATOM 326 N THR A 24 7.155 4.037 -7.587 1.00 0.00 N ATOM 327 CA THR A 24 6.281 3.624 -8.672 1.00 0.00 C ATOM 328 C THR A 24 7.072 3.500 -9.976 1.00 0.00 C ATOM 329 O THR A 24 8.149 4.078 -10.110 1.00 0.00 O ATOM 330 CB THR A 24 5.126 4.623 -8.755 1.00 0.00 C ATOM 331 OG1 THR A 24 5.768 5.885 -8.914 1.00 0.00 O ATOM 332 CG2 THR A 24 4.369 4.754 -7.432 1.00 0.00 C ATOM 0 H THR A 24 7.470 5.006 -7.638 1.00 0.00 H new ATOM 0 HA THR A 24 5.862 2.635 -8.487 1.00 0.00 H new ATOM 0 HB THR A 24 4.435 4.314 -9.539 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.716 5.746 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.560 5.475 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.955 3.785 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.052 5.095 -6.654 1.00 0.00 H new ATOM 340 N PRO A 25 6.492 2.722 -10.929 1.00 0.00 N ATOM 341 CA PRO A 25 7.131 2.514 -12.217 1.00 0.00 C ATOM 342 C PRO A 25 6.997 3.756 -13.101 1.00 0.00 C ATOM 343 O PRO A 25 6.356 3.710 -14.150 1.00 0.00 O ATOM 344 CB PRO A 25 6.445 1.291 -12.804 1.00 0.00 C ATOM 345 CG PRO A 25 5.140 1.138 -12.039 1.00 0.00 C ATOM 346 CD PRO A 25 5.217 2.021 -10.805 1.00 0.00 C ATOM 0 HA PRO A 25 8.205 2.349 -12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.260 1.421 -13.870 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.068 0.403 -12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.295 1.428 -12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.984 0.097 -11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.382 2.721 -10.766 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.178 1.428 -9.891 1.00 0.00 H new ATOM 354 N GLN A 26 7.614 4.837 -12.646 1.00 0.00 N ATOM 355 CA GLN A 26 7.573 6.089 -13.382 1.00 0.00 C ATOM 356 C GLN A 26 8.166 7.220 -12.539 1.00 0.00 C ATOM 357 O GLN A 26 9.180 7.809 -12.911 1.00 0.00 O ATOM 358 CB GLN A 26 6.144 6.421 -13.818 1.00 0.00 C ATOM 359 CG GLN A 26 6.065 6.611 -15.334 1.00 0.00 C ATOM 360 CD GLN A 26 4.852 7.461 -15.717 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.959 8.634 -16.037 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.695 6.807 -15.667 1.00 0.00 N ATOM 0 H GLN A 26 8.145 4.871 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 26 8.177 5.979 -14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.471 5.620 -13.513 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.808 7.328 -13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.977 7.089 -15.692 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.002 5.639 -15.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.676 5.825 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.827 7.287 -15.905 1.00 0.00 H new ATOM 371 N ASP A 27 7.508 7.489 -11.421 1.00 0.00 N ATOM 372 CA ASP A 27 7.958 8.539 -10.523 1.00 0.00 C ATOM 373 C ASP A 27 8.075 7.976 -9.105 1.00 0.00 C ATOM 374 O ASP A 27 8.014 6.763 -8.908 1.00 0.00 O ATOM 375 CB ASP A 27 6.962 9.700 -10.490 1.00 0.00 C ATOM 376 CG ASP A 27 7.593 11.093 -10.471 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.828 11.159 -10.651 1.00 0.00 O ATOM 378 OD2 ASP A 27 6.826 12.061 -10.276 1.00 0.00 O ATOM 0 H ASP A 27 6.667 6.998 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 27 8.921 8.900 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.310 9.625 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.330 9.592 -9.608 1.00 0.00 H new ATOM 383 N CYS A 28 8.239 8.884 -8.154 1.00 0.00 N ATOM 384 CA CYS A 28 8.365 8.493 -6.760 1.00 0.00 C ATOM 385 C CYS A 28 7.356 9.301 -5.942 1.00 0.00 C ATOM 386 O CYS A 28 7.151 10.487 -6.198 1.00 0.00 O ATOM 387 CB CYS A 28 9.795 8.678 -6.247 1.00 0.00 C ATOM 388 SG CYS A 28 10.131 10.454 -5.960 1.00 0.00 S ATOM 0 H CYS A 28 8.288 9.889 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 28 8.147 7.430 -6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.934 8.119 -5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.505 8.277 -6.971 1.00 0.00 H new ATOM 0 HG CYS A 28 9.024 11.127 -6.062 1.00 0.00 H new ATOM 394 N HIS A 29 6.752 8.627 -4.974 1.00 0.00 N ATOM 395 CA HIS A 29 5.769 9.268 -4.117 1.00 0.00 C ATOM 396 C HIS A 29 6.035 8.888 -2.659 1.00 0.00 C ATOM 397 O HIS A 29 6.724 7.906 -2.385 1.00 0.00 O ATOM 398 CB HIS A 29 4.348 8.925 -4.569 1.00 0.00 C ATOM 399 CG HIS A 29 3.370 10.068 -4.438 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.227 11.047 -5.406 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.488 10.377 -3.445 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.299 11.902 -5.003 1.00 0.00 C ATOM 403 NE2 HIS A 29 1.843 11.486 -3.787 1.00 0.00 N ATOM 0 H HIS A 29 6.924 7.644 -4.764 1.00 0.00 H new ATOM 0 HA HIS A 29 5.862 10.351 -4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.377 8.602 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.985 8.081 -3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.339 9.815 -2.535 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.963 12.775 -5.543 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.125 11.950 -3.232 1.00 0.00 H new ATOM 411 N GLU A 30 5.475 9.685 -1.761 1.00 0.00 N ATOM 412 CA GLU A 30 5.643 9.445 -0.338 1.00 0.00 C ATOM 413 C GLU A 30 4.279 9.384 0.354 1.00 0.00 C ATOM 414 O GLU A 30 3.514 10.346 0.311 1.00 0.00 O ATOM 415 CB GLU A 30 6.533 10.515 0.297 1.00 0.00 C ATOM 416 CG GLU A 30 5.862 11.889 0.245 1.00 0.00 C ATOM 417 CD GLU A 30 6.831 12.953 -0.275 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.582 13.495 0.564 1.00 0.00 O ATOM 419 OE2 GLU A 30 6.798 13.200 -1.500 1.00 0.00 O ATOM 0 H GLU A 30 4.904 10.498 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 30 6.139 8.483 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.745 10.249 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.489 10.554 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.984 11.845 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.513 12.165 1.240 1.00 0.00 H new ATOM 426 N PHE A 31 4.018 8.244 0.977 1.00 0.00 N ATOM 427 CA PHE A 31 2.761 8.045 1.677 1.00 0.00 C ATOM 428 C PHE A 31 2.968 8.066 3.193 1.00 0.00 C ATOM 429 O PHE A 31 4.055 7.756 3.679 1.00 0.00 O ATOM 430 CB PHE A 31 2.233 6.669 1.266 1.00 0.00 C ATOM 431 CG PHE A 31 1.584 6.640 -0.119 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.317 6.956 -1.220 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.274 6.298 -0.250 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.715 6.929 -2.506 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.328 6.271 -1.536 1.00 0.00 C ATOM 436 CZ PHE A 31 0.405 6.587 -2.637 1.00 0.00 C ATOM 0 H PHE A 31 4.656 7.449 1.011 1.00 0.00 H new ATOM 0 HA PHE A 31 2.063 8.842 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.056 5.955 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.504 6.335 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.357 7.228 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.308 6.047 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.297 7.180 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.368 5.999 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.053 6.566 -3.615 1.00 0.00 H new ATOM 446 N PHE A 32 1.909 8.437 3.898 1.00 0.00 N ATOM 447 CA PHE A 32 1.961 8.503 5.348 1.00 0.00 C ATOM 448 C PHE A 32 0.765 7.782 5.973 1.00 0.00 C ATOM 449 O PHE A 32 -0.339 8.323 6.013 1.00 0.00 O ATOM 450 CB PHE A 32 1.907 9.983 5.731 1.00 0.00 C ATOM 451 CG PHE A 32 3.261 10.692 5.670 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.772 11.082 4.471 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.954 10.933 6.815 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.029 11.740 4.415 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.211 11.591 6.759 1.00 0.00 C ATOM 456 CZ PHE A 32 5.722 11.980 5.560 1.00 0.00 C ATOM 0 H PHE A 32 1.010 8.695 3.491 1.00 0.00 H new ATOM 0 HA PHE A 32 2.870 8.022 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.211 10.494 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.507 10.072 6.741 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.222 10.891 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.548 10.624 7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.435 12.050 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.761 11.783 7.668 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.679 12.480 5.517 1.00 0.00 H new ATOM 466 N LEU A 33 1.025 6.572 6.446 1.00 0.00 N ATOM 467 CA LEU A 33 -0.016 5.772 7.068 1.00 0.00 C ATOM 468 C LEU A 33 0.532 5.133 8.346 1.00 0.00 C ATOM 469 O LEU A 33 1.742 5.111 8.563 1.00 0.00 O ATOM 470 CB LEU A 33 -0.582 4.760 6.069 1.00 0.00 C ATOM 471 CG LEU A 33 0.395 3.697 5.564 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.625 4.343 4.923 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.775 2.726 6.684 1.00 0.00 C ATOM 0 H LEU A 33 1.942 6.126 6.411 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.856 6.402 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.429 4.255 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.970 5.306 5.209 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.103 3.115 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.303 3.565 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.314 4.960 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.135 4.964 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.470 1.980 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.247 3.276 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.122 2.229 7.054 1.00 0.00 H new ATOM 485 N ALA A 34 -0.386 4.630 9.158 1.00 0.00 N ATOM 486 CA ALA A 34 -0.010 3.993 10.409 1.00 0.00 C ATOM 487 C ALA A 34 1.198 3.086 10.171 1.00 0.00 C ATOM 488 O ALA A 34 1.246 2.356 9.181 1.00 0.00 O ATOM 489 CB ALA A 34 -1.210 3.230 10.974 1.00 0.00 C ATOM 0 H ALA A 34 -1.389 4.651 8.974 1.00 0.00 H new ATOM 0 HA ALA A 34 0.279 4.740 11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.928 2.752 11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.031 3.924 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.526 2.469 10.260 1.00 0.00 H new ATOM 495 N GLU A 35 2.145 3.160 11.095 1.00 0.00 N ATOM 496 CA GLU A 35 3.350 2.355 10.998 1.00 0.00 C ATOM 497 C GLU A 35 3.046 0.899 11.355 1.00 0.00 C ATOM 498 O GLU A 35 3.830 0.003 11.047 1.00 0.00 O ATOM 499 CB GLU A 35 4.459 2.918 11.889 1.00 0.00 C ATOM 500 CG GLU A 35 4.138 2.696 13.369 1.00 0.00 C ATOM 501 CD GLU A 35 5.360 2.983 14.244 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.949 4.070 14.057 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.678 2.110 15.079 1.00 0.00 O ATOM 0 H GLU A 35 2.102 3.766 11.915 1.00 0.00 H new ATOM 0 HA GLU A 35 3.704 2.390 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.407 2.439 11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.581 3.984 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.313 3.343 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.809 1.668 13.523 1.00 0.00 H new ATOM 510 N ASN A 36 1.904 0.707 12.000 1.00 0.00 N ATOM 511 CA ASN A 36 1.486 -0.625 12.403 1.00 0.00 C ATOM 512 C ASN A 36 0.232 -1.019 11.619 1.00 0.00 C ATOM 513 O ASN A 36 -0.586 -1.799 12.104 1.00 0.00 O ATOM 514 CB ASN A 36 1.145 -0.668 13.893 1.00 0.00 C ATOM 515 CG ASN A 36 0.631 0.689 14.378 1.00 0.00 C ATOM 516 OD1 ASN A 36 -0.428 1.154 13.992 1.00 0.00 O ATOM 517 ND2 ASN A 36 1.439 1.296 15.243 1.00 0.00 N ATOM 0 H ASN A 36 1.255 1.452 12.253 1.00 0.00 H new ATOM 0 HA ASN A 36 2.308 -1.312 12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.390 -1.433 14.075 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.029 -0.951 14.464 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.185 2.207 15.625 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.312 0.850 15.524 1.00 0.00 H new ATOM 524 N SER A 37 0.122 -0.463 10.422 1.00 0.00 N ATOM 525 CA SER A 37 -1.018 -0.747 9.567 1.00 0.00 C ATOM 526 C SER A 37 -0.744 -1.995 8.726 1.00 0.00 C ATOM 527 O SER A 37 0.411 -2.341 8.481 1.00 0.00 O ATOM 528 CB SER A 37 -1.338 0.444 8.661 1.00 0.00 C ATOM 529 OG SER A 37 -2.741 0.648 8.523 1.00 0.00 O ATOM 0 H SER A 37 0.804 0.183 10.024 1.00 0.00 H new ATOM 0 HA SER A 37 -1.885 -0.928 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.879 1.344 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.897 0.280 7.678 1.00 0.00 H new ATOM 0 HG SER A 37 -2.904 1.418 7.939 1.00 0.00 H new ATOM 535 N ASN A 38 -1.824 -2.637 8.307 1.00 0.00 N ATOM 536 CA ASN A 38 -1.714 -3.840 7.499 1.00 0.00 C ATOM 537 C ASN A 38 -1.395 -3.450 6.054 1.00 0.00 C ATOM 538 O ASN A 38 -1.736 -2.354 5.614 1.00 0.00 O ATOM 539 CB ASN A 38 -3.027 -4.625 7.498 1.00 0.00 C ATOM 540 CG ASN A 38 -4.227 -3.686 7.357 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.367 -2.704 8.067 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.083 -4.042 6.403 1.00 0.00 N ATOM 0 H ASN A 38 -2.780 -2.347 8.512 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.924 -4.460 7.923 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.025 -5.344 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.114 -5.196 8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.917 -3.480 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.906 -4.877 5.844 1.00 0.00 H new ATOM 549 N VAL A 39 -0.745 -4.370 5.357 1.00 0.00 N ATOM 550 CA VAL A 39 -0.376 -4.136 3.971 1.00 0.00 C ATOM 551 C VAL A 39 -1.611 -3.686 3.188 1.00 0.00 C ATOM 552 O VAL A 39 -1.544 -2.735 2.410 1.00 0.00 O ATOM 553 CB VAL A 39 0.279 -5.389 3.386 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.216 -5.377 1.857 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.722 -5.533 3.874 1.00 0.00 C ATOM 0 H VAL A 39 -0.464 -5.279 5.726 1.00 0.00 H new ATOM 0 HA VAL A 39 0.362 -3.337 3.901 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.281 -6.255 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.688 -6.278 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.825 -5.345 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.740 -4.499 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.164 -6.432 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.299 -4.661 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.733 -5.609 4.961 1.00 0.00 H new ATOM 565 N ARG A 40 -2.709 -4.389 3.422 1.00 0.00 N ATOM 566 CA ARG A 40 -3.957 -4.073 2.748 1.00 0.00 C ATOM 567 C ARG A 40 -4.223 -2.567 2.802 1.00 0.00 C ATOM 568 O ARG A 40 -4.219 -1.895 1.772 1.00 0.00 O ATOM 569 CB ARG A 40 -5.132 -4.814 3.389 1.00 0.00 C ATOM 570 CG ARG A 40 -6.025 -5.452 2.323 1.00 0.00 C ATOM 571 CD ARG A 40 -6.810 -6.632 2.899 1.00 0.00 C ATOM 572 NE ARG A 40 -8.262 -6.349 2.842 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.214 -7.289 2.923 1.00 0.00 C ATOM 574 NH1 ARG A 40 -8.874 -8.577 3.065 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.506 -6.940 2.862 1.00 0.00 N ATOM 0 H ARG A 40 -2.761 -5.176 4.069 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.863 -4.392 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.757 -5.584 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.718 -4.121 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.717 -4.707 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.414 -5.791 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.585 -7.538 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.506 -6.813 3.930 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.556 -5.378 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.890 -8.843 3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.599 -9.292 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.765 -5.959 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.231 -7.655 2.924 1.00 0.00 H new ATOM 589 N ARG A 41 -4.448 -2.081 4.014 1.00 0.00 N ATOM 590 CA ARG A 41 -4.715 -0.667 4.216 1.00 0.00 C ATOM 591 C ARG A 41 -3.715 0.180 3.426 1.00 0.00 C ATOM 592 O ARG A 41 -4.109 1.048 2.649 1.00 0.00 O ATOM 593 CB ARG A 41 -4.630 -0.296 5.698 1.00 0.00 C ATOM 594 CG ARG A 41 -5.930 -0.642 6.426 1.00 0.00 C ATOM 595 CD ARG A 41 -6.245 0.394 7.507 1.00 0.00 C ATOM 596 NE ARG A 41 -7.475 0.008 8.234 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.717 0.239 7.785 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.900 0.855 6.609 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.774 -0.146 8.512 1.00 0.00 N ATOM 0 H ARG A 41 -4.451 -2.641 4.866 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.726 -0.466 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.798 -0.825 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.426 0.770 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.751 -0.687 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.846 -1.630 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.410 0.471 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.374 1.377 7.054 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.371 -0.463 9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.095 1.148 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.845 1.031 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.634 -0.615 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.719 0.030 8.171 1.00 0.00 H new ATOM 613 N PHE A 42 -2.441 -0.102 3.653 1.00 0.00 N ATOM 614 CA PHE A 42 -1.381 0.623 2.973 1.00 0.00 C ATOM 615 C PHE A 42 -1.624 0.659 1.463 1.00 0.00 C ATOM 616 O PHE A 42 -1.319 1.653 0.805 1.00 0.00 O ATOM 617 CB PHE A 42 -0.077 -0.126 3.250 1.00 0.00 C ATOM 618 CG PHE A 42 1.175 0.597 2.749 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.094 1.890 2.335 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.369 -0.053 2.717 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.255 2.561 1.870 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.531 0.618 2.252 1.00 0.00 C ATOM 623 CZ PHE A 42 3.449 1.911 1.838 1.00 0.00 C ATOM 0 H PHE A 42 -2.118 -0.823 4.299 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.343 1.651 3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.015 -0.289 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.128 -1.109 2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.146 2.406 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.434 -1.080 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.190 3.588 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.479 0.102 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.332 2.422 1.484 1.00 0.00 H new ATOM 633 N LYS A 43 -2.170 -0.437 0.957 1.00 0.00 N ATOM 634 CA LYS A 43 -2.456 -0.544 -0.463 1.00 0.00 C ATOM 635 C LYS A 43 -3.632 0.371 -0.812 1.00 0.00 C ATOM 636 O LYS A 43 -3.595 1.079 -1.817 1.00 0.00 O ATOM 637 CB LYS A 43 -2.677 -2.006 -0.857 1.00 0.00 C ATOM 638 CG LYS A 43 -1.364 -2.789 -0.815 1.00 0.00 C ATOM 639 CD LYS A 43 -1.620 -4.294 -0.911 1.00 0.00 C ATOM 640 CE LYS A 43 -0.442 -5.010 -1.576 1.00 0.00 C ATOM 641 NZ LYS A 43 -0.469 -6.456 -1.261 1.00 0.00 N ATOM 0 H LYS A 43 -2.422 -1.259 1.506 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.602 -0.205 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.399 -2.463 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.103 -2.056 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.721 -2.473 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.832 -2.565 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.783 -4.703 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.530 -4.476 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.484 -4.866 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.496 -4.575 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.446 -6.740 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.226 -6.648 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.646 -6.998 -2.131 1.00 0.00 H new ATOM 655 N LYS A 44 -4.647 0.328 0.038 1.00 0.00 N ATOM 656 CA LYS A 44 -5.831 1.144 -0.167 1.00 0.00 C ATOM 657 C LYS A 44 -5.407 2.577 -0.493 1.00 0.00 C ATOM 658 O LYS A 44 -5.903 3.173 -1.448 1.00 0.00 O ATOM 659 CB LYS A 44 -6.770 1.039 1.037 1.00 0.00 C ATOM 660 CG LYS A 44 -7.113 -0.421 1.339 1.00 0.00 C ATOM 661 CD LYS A 44 -8.305 -0.518 2.293 1.00 0.00 C ATOM 662 CE LYS A 44 -9.134 -1.772 2.009 1.00 0.00 C ATOM 663 NZ LYS A 44 -8.505 -2.960 2.630 1.00 0.00 N ATOM 0 H LYS A 44 -4.674 -0.260 0.871 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.403 0.778 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.301 1.494 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.685 1.598 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.342 -0.944 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.249 -0.918 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.950 -0.538 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.932 0.368 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.144 -1.643 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.223 -1.921 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.579 -3.771 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.502 -2.761 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.991 -3.184 3.522 1.00 0.00 H new ATOM 677 N GLN A 45 -4.494 3.089 0.319 1.00 0.00 N ATOM 678 CA GLN A 45 -3.997 4.442 0.128 1.00 0.00 C ATOM 679 C GLN A 45 -3.482 4.622 -1.301 1.00 0.00 C ATOM 680 O GLN A 45 -3.738 5.646 -1.932 1.00 0.00 O ATOM 681 CB GLN A 45 -2.907 4.774 1.150 1.00 0.00 C ATOM 682 CG GLN A 45 -3.254 6.046 1.926 1.00 0.00 C ATOM 683 CD GLN A 45 -2.109 7.059 1.857 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.033 7.890 0.966 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.225 6.945 2.844 1.00 0.00 N ATOM 0 H GLN A 45 -4.085 2.592 1.110 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.822 5.137 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.788 3.942 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.952 4.904 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.162 6.489 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.462 5.796 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.348 6.227 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.424 7.575 2.887 1.00 0.00 H new ATOM 694 N ILE A 46 -2.765 3.611 -1.770 1.00 0.00 N ATOM 695 CA ILE A 46 -2.212 3.645 -3.113 1.00 0.00 C ATOM 696 C ILE A 46 -3.353 3.607 -4.131 1.00 0.00 C ATOM 697 O ILE A 46 -3.427 4.455 -5.019 1.00 0.00 O ATOM 698 CB ILE A 46 -1.185 2.526 -3.298 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.117 2.576 -2.204 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.573 2.569 -4.700 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.377 1.170 -1.855 1.00 0.00 C ATOM 0 H ILE A 46 -2.554 2.763 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.669 4.575 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.700 1.570 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.721 3.188 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.526 3.053 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.153 1.763 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.360 2.447 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.076 3.527 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.136 1.234 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.459 0.568 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.807 0.705 -2.742 1.00 0.00 H new ATOM 713 N SER A 47 -4.216 2.614 -3.968 1.00 0.00 N ATOM 714 CA SER A 47 -5.350 2.455 -4.862 1.00 0.00 C ATOM 715 C SER A 47 -6.123 3.771 -4.967 1.00 0.00 C ATOM 716 O SER A 47 -6.757 4.043 -5.985 1.00 0.00 O ATOM 717 CB SER A 47 -6.275 1.333 -4.384 1.00 0.00 C ATOM 718 OG SER A 47 -6.751 1.562 -3.061 1.00 0.00 O ATOM 0 H SER A 47 -4.152 1.912 -3.230 1.00 0.00 H new ATOM 0 HA SER A 47 -4.972 2.183 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.122 1.247 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.741 0.383 -4.418 1.00 0.00 H new ATOM 0 HG SER A 47 -6.332 2.370 -2.698 1.00 0.00 H new ATOM 724 N LYS A 48 -6.044 4.553 -3.901 1.00 0.00 N ATOM 725 CA LYS A 48 -6.728 5.835 -3.861 1.00 0.00 C ATOM 726 C LYS A 48 -6.066 6.793 -4.852 1.00 0.00 C ATOM 727 O LYS A 48 -6.712 7.273 -5.783 1.00 0.00 O ATOM 728 CB LYS A 48 -6.779 6.370 -2.428 1.00 0.00 C ATOM 729 CG LYS A 48 -7.576 5.431 -1.520 1.00 0.00 C ATOM 730 CD LYS A 48 -8.992 5.963 -1.289 1.00 0.00 C ATOM 731 CE LYS A 48 -10.002 5.235 -2.178 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.104 4.678 -1.362 1.00 0.00 N ATOM 0 H LYS A 48 -5.517 4.324 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.767 5.723 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.766 6.482 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.234 7.361 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.625 4.439 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.064 5.322 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.266 5.836 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.022 7.032 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.404 5.924 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.504 4.433 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.781 4.187 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.717 4.005 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.590 5.450 -0.861 1.00 0.00 H new ATOM 746 N TYR A 49 -4.786 7.043 -4.619 1.00 0.00 N ATOM 747 CA TYR A 49 -4.029 7.936 -5.481 1.00 0.00 C ATOM 748 C TYR A 49 -3.789 7.301 -6.852 1.00 0.00 C ATOM 749 O TYR A 49 -4.259 7.812 -7.868 1.00 0.00 O ATOM 750 CB TYR A 49 -2.682 8.149 -4.788 1.00 0.00 C ATOM 751 CG TYR A 49 -1.682 8.965 -5.609 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.954 10.282 -5.918 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.507 8.384 -6.041 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.013 11.050 -6.692 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.434 9.151 -6.814 1.00 0.00 C ATOM 756 CZ TYR A 49 0.135 10.447 -7.101 1.00 0.00 C ATOM 757 OH TYR A 49 1.024 11.172 -7.832 1.00 0.00 O ATOM 0 H TYR A 49 -4.254 6.643 -3.846 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.571 8.869 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.850 8.652 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.244 7.177 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.873 10.737 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.294 7.353 -5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.215 12.081 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.357 8.708 -7.159 1.00 0.00 H new ATOM 0 HH TYR A 49 1.798 10.613 -8.054 1.00 0.00 H new ATOM 767 N LEU A 50 -3.058 6.197 -6.838 1.00 0.00 N ATOM 768 CA LEU A 50 -2.749 5.487 -8.067 1.00 0.00 C ATOM 769 C LEU A 50 -4.040 5.260 -8.857 1.00 0.00 C ATOM 770 O LEU A 50 -4.004 5.085 -10.075 1.00 0.00 O ATOM 771 CB LEU A 50 -1.980 4.200 -7.765 1.00 0.00 C ATOM 772 CG LEU A 50 -0.454 4.312 -7.778 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.055 5.029 -6.526 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.195 2.938 -7.956 1.00 0.00 C ATOM 0 H LEU A 50 -2.670 5.776 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.089 6.085 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.290 3.837 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.275 3.444 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.164 4.919 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.142 5.095 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.368 6.033 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.246 4.471 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.280 3.046 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.100 2.287 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.131 2.501 -8.900 1.00 0.00 H new ATOM 786 N HIS A 51 -5.149 5.270 -8.133 1.00 0.00 N ATOM 787 CA HIS A 51 -6.448 5.068 -8.751 1.00 0.00 C ATOM 788 C HIS A 51 -6.478 3.707 -9.450 1.00 0.00 C ATOM 789 O HIS A 51 -6.842 3.615 -10.621 1.00 0.00 O ATOM 790 CB HIS A 51 -6.788 6.225 -9.692 1.00 0.00 C ATOM 791 CG HIS A 51 -7.216 7.488 -8.983 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.599 8.699 -8.869 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -8.408 7.590 -8.287 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.373 9.498 -8.144 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -8.495 8.812 -7.782 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.175 5.415 -7.124 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.222 5.061 -7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.918 6.445 -10.310 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.586 5.910 -10.365 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.696 8.949 -9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.143 6.806 -8.175 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.151 10.522 -7.884 1.00 0.00 H new ATOM 803 N CYS A 52 -6.090 2.685 -8.702 1.00 0.00 N ATOM 804 CA CYS A 52 -6.067 1.334 -9.235 1.00 0.00 C ATOM 805 C CYS A 52 -6.810 0.420 -8.258 1.00 0.00 C ATOM 806 O CYS A 52 -7.394 0.891 -7.283 1.00 0.00 O ATOM 807 CB CYS A 52 -4.638 0.851 -9.493 1.00 0.00 C ATOM 808 SG CYS A 52 -3.610 1.112 -8.002 1.00 0.00 S ATOM 0 H CYS A 52 -5.789 2.766 -7.731 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.567 1.314 -10.203 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.645 -0.206 -9.759 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.210 1.390 -10.338 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.363 1.234 -8.350 1.00 0.00 H new ATOM 814 N ASN A 53 -6.765 -0.871 -8.554 1.00 0.00 N ATOM 815 CA ASN A 53 -7.427 -1.855 -7.715 1.00 0.00 C ATOM 816 C ASN A 53 -6.405 -2.470 -6.756 1.00 0.00 C ATOM 817 O ASN A 53 -5.310 -2.849 -7.169 1.00 0.00 O ATOM 818 CB ASN A 53 -8.025 -2.984 -8.556 1.00 0.00 C ATOM 819 CG ASN A 53 -9.535 -3.093 -8.334 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.007 -3.427 -7.260 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.262 -2.794 -9.406 1.00 0.00 N ATOM 0 H ASN A 53 -6.280 -1.258 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.225 -1.351 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.821 -2.803 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.547 -3.928 -8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.280 -2.837 -9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.802 -2.522 -10.275 1.00 0.00 H new ATOM 828 N ALA A 54 -6.800 -2.551 -5.494 1.00 0.00 N ATOM 829 CA ALA A 54 -5.933 -3.114 -4.473 1.00 0.00 C ATOM 830 C ALA A 54 -5.773 -4.616 -4.717 1.00 0.00 C ATOM 831 O ALA A 54 -4.915 -5.258 -4.114 1.00 0.00 O ATOM 832 CB ALA A 54 -6.507 -2.806 -3.088 1.00 0.00 C ATOM 0 H ALA A 54 -7.709 -2.236 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.941 -2.665 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.856 -3.229 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.573 -1.726 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.502 -3.244 -3.001 1.00 0.00 H new ATOM 838 N ASP A 55 -6.613 -5.132 -5.603 1.00 0.00 N ATOM 839 CA ASP A 55 -6.575 -6.546 -5.934 1.00 0.00 C ATOM 840 C ASP A 55 -5.390 -6.816 -6.863 1.00 0.00 C ATOM 841 O ASP A 55 -4.954 -7.958 -7.003 1.00 0.00 O ATOM 842 CB ASP A 55 -7.852 -6.976 -6.659 1.00 0.00 C ATOM 843 CG ASP A 55 -8.103 -8.485 -6.685 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.391 -9.165 -7.454 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.002 -8.923 -5.935 1.00 0.00 O ATOM 0 H ASP A 55 -7.323 -4.596 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.481 -7.108 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.703 -6.489 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.809 -6.612 -7.686 1.00 0.00 H new ATOM 850 N ARG A 56 -4.902 -5.746 -7.474 1.00 0.00 N ATOM 851 CA ARG A 56 -3.776 -5.854 -8.386 1.00 0.00 C ATOM 852 C ARG A 56 -2.542 -5.174 -7.789 1.00 0.00 C ATOM 853 O ARG A 56 -1.491 -5.117 -8.425 1.00 0.00 O ATOM 854 CB ARG A 56 -4.099 -5.214 -9.738 1.00 0.00 C ATOM 855 CG ARG A 56 -5.431 -5.730 -10.285 1.00 0.00 C ATOM 856 CD ARG A 56 -5.243 -7.057 -11.023 1.00 0.00 C ATOM 857 NE ARG A 56 -6.142 -7.114 -12.198 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.439 -7.444 -12.135 1.00 0.00 C ATOM 859 NH1 ARG A 56 -7.997 -7.749 -10.956 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.178 -7.470 -13.253 1.00 0.00 N ATOM 0 H ARG A 56 -5.266 -4.800 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.573 -6.914 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.142 -4.130 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.301 -5.433 -10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.138 -5.862 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.861 -4.991 -10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.206 -7.161 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.455 -7.889 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.750 -6.888 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.434 -7.730 -10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.984 -8.000 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.753 -7.239 -14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.165 -7.721 -13.206 1.00 0.00 H new ATOM 874 N LEU A 57 -2.712 -4.675 -6.573 1.00 0.00 N ATOM 875 CA LEU A 57 -1.625 -4.001 -5.883 1.00 0.00 C ATOM 876 C LEU A 57 -0.875 -5.011 -5.013 1.00 0.00 C ATOM 877 O LEU A 57 -1.492 -5.838 -4.343 1.00 0.00 O ATOM 878 CB LEU A 57 -2.151 -2.792 -5.107 1.00 0.00 C ATOM 879 CG LEU A 57 -2.558 -1.580 -5.947 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.138 -0.471 -5.067 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.385 -1.083 -6.796 1.00 0.00 C ATOM 0 H LEU A 57 -3.585 -4.724 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.907 -3.603 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.014 -3.109 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.383 -2.478 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.345 -1.890 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.419 0.378 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.018 -0.844 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.390 -0.156 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.701 -0.221 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.560 -0.795 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.058 -1.878 -7.466 1.00 0.00 H new ATOM 893 N VAL A 58 0.446 -4.911 -5.052 1.00 0.00 N ATOM 894 CA VAL A 58 1.287 -5.806 -4.275 1.00 0.00 C ATOM 895 C VAL A 58 2.315 -4.984 -3.495 1.00 0.00 C ATOM 896 O VAL A 58 2.908 -4.051 -4.035 1.00 0.00 O ATOM 897 CB VAL A 58 1.928 -6.850 -5.192 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.652 -7.924 -4.379 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.887 -7.475 -6.123 1.00 0.00 C ATOM 0 H VAL A 58 0.954 -4.224 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 58 0.690 -6.355 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 58 2.669 -6.343 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.098 -8.653 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.434 -7.460 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.940 -8.426 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.369 -8.213 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.112 -7.960 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.437 -6.697 -6.740 1.00 0.00 H new ATOM 909 N LEU A 59 2.495 -5.360 -2.237 1.00 0.00 N ATOM 910 CA LEU A 59 3.441 -4.670 -1.378 1.00 0.00 C ATOM 911 C LEU A 59 4.803 -5.360 -1.467 1.00 0.00 C ATOM 912 O LEU A 59 4.895 -6.580 -1.333 1.00 0.00 O ATOM 913 CB LEU A 59 2.895 -4.569 0.048 1.00 0.00 C ATOM 914 CG LEU A 59 2.757 -3.155 0.615 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.120 -2.590 1.019 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.025 -2.239 -0.368 1.00 0.00 C ATOM 0 H LEU A 59 2.001 -6.134 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 59 3.581 -3.643 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.916 -5.047 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.548 -5.141 0.707 1.00 0.00 H new ATOM 0 HG LEU A 59 2.150 -3.208 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.993 -1.584 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.568 -3.229 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.772 -2.554 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.940 -1.240 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.584 -2.188 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.029 -2.636 -0.562 1.00 0.00 H new ATOM 928 N ILE A 60 5.827 -4.551 -1.693 1.00 0.00 N ATOM 929 CA ILE A 60 7.181 -5.069 -1.802 1.00 0.00 C ATOM 930 C ILE A 60 8.138 -4.148 -1.043 1.00 0.00 C ATOM 931 O ILE A 60 8.429 -3.041 -1.494 1.00 0.00 O ATOM 932 CB ILE A 60 7.559 -5.274 -3.270 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.586 -6.232 -3.959 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.011 -5.739 -3.402 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.620 -5.472 -4.870 1.00 0.00 C ATOM 0 H ILE A 60 5.747 -3.540 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 60 7.251 -6.053 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 60 7.480 -4.314 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.143 -6.964 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.023 -6.786 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.254 -5.877 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.674 -4.988 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.140 -6.683 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.939 -6.177 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.047 -4.758 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.185 -4.938 -5.635 1.00 0.00 H new ATOM 947 N PHE A 61 8.600 -4.638 0.098 1.00 0.00 N ATOM 948 CA PHE A 61 9.518 -3.872 0.924 1.00 0.00 C ATOM 949 C PHE A 61 10.909 -4.510 0.934 1.00 0.00 C ATOM 950 O PHE A 61 11.101 -5.579 1.512 1.00 0.00 O ATOM 951 CB PHE A 61 8.955 -3.883 2.346 1.00 0.00 C ATOM 952 CG PHE A 61 9.974 -3.503 3.422 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.317 -2.199 3.603 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.537 -4.468 4.197 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.263 -1.846 4.602 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.483 -4.115 5.195 1.00 0.00 C ATOM 957 CZ PHE A 61 11.826 -2.811 5.377 1.00 0.00 C ATOM 0 H PHE A 61 8.356 -5.556 0.470 1.00 0.00 H new ATOM 0 HA PHE A 61 9.615 -2.859 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.113 -3.193 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.566 -4.878 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.870 -1.432 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.265 -5.503 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.535 -0.811 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.931 -4.882 5.810 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.545 -2.543 6.137 1.00 0.00 H new ATOM 967 N THR A 62 11.843 -3.828 0.288 1.00 0.00 N ATOM 968 CA THR A 62 13.210 -4.314 0.215 1.00 0.00 C ATOM 969 C THR A 62 13.371 -5.280 -0.961 1.00 0.00 C ATOM 970 O THR A 62 14.485 -5.520 -1.424 1.00 0.00 O ATOM 971 CB THR A 62 13.562 -4.939 1.566 1.00 0.00 C ATOM 972 OG1 THR A 62 14.936 -4.611 1.753 1.00 0.00 O ATOM 973 CG2 THR A 62 13.546 -6.469 1.526 1.00 0.00 C ATOM 0 H THR A 62 11.680 -2.942 -0.190 1.00 0.00 H new ATOM 0 HA THR A 62 13.909 -3.500 0.024 1.00 0.00 H new ATOM 0 HB THR A 62 12.859 -4.589 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.246 -4.977 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.803 -6.861 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.551 -6.815 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.273 -6.821 0.794 1.00 0.00 H new ATOM 981 N GLY A 63 12.241 -5.806 -1.412 1.00 0.00 N ATOM 982 CA GLY A 63 12.243 -6.740 -2.525 1.00 0.00 C ATOM 983 C GLY A 63 11.375 -7.962 -2.217 1.00 0.00 C ATOM 984 O GLY A 63 11.061 -8.746 -3.111 1.00 0.00 O ATOM 0 H GLY A 63 11.319 -5.603 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.873 -6.243 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.264 -7.058 -2.735 1.00 0.00 H new ATOM 988 N LYS A 64 11.012 -8.086 -0.948 1.00 0.00 N ATOM 989 CA LYS A 64 10.187 -9.199 -0.511 1.00 0.00 C ATOM 990 C LYS A 64 8.718 -8.771 -0.513 1.00 0.00 C ATOM 991 O LYS A 64 8.351 -7.798 0.144 1.00 0.00 O ATOM 992 CB LYS A 64 10.672 -9.727 0.840 1.00 0.00 C ATOM 993 CG LYS A 64 11.967 -10.526 0.684 1.00 0.00 C ATOM 994 CD LYS A 64 11.683 -12.029 0.647 1.00 0.00 C ATOM 995 CE LYS A 64 12.761 -12.772 -0.146 1.00 0.00 C ATOM 996 NZ LYS A 64 13.175 -14.001 0.567 1.00 0.00 N ATOM 0 H LYS A 64 11.274 -7.434 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 64 10.277 -10.035 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.835 -8.893 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.903 -10.358 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.476 -10.226 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.640 -10.300 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.640 -12.420 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.707 -12.207 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.381 -13.029 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.624 -12.123 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.907 -14.493 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.557 -13.749 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.353 -14.627 0.687 1.00 0.00 H new ATOM 1010 N ILE A 65 7.918 -9.519 -1.259 1.00 0.00 N ATOM 1011 CA ILE A 65 6.498 -9.229 -1.355 1.00 0.00 C ATOM 1012 C ILE A 65 5.842 -9.455 0.009 1.00 0.00 C ATOM 1013 O ILE A 65 6.209 -10.380 0.732 1.00 0.00 O ATOM 1014 CB ILE A 65 5.860 -10.039 -2.486 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.422 -9.618 -3.845 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.334 -9.939 -2.439 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.151 -10.781 -4.521 1.00 0.00 C ATOM 0 H ILE A 65 8.227 -10.325 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 65 6.340 -8.182 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 65 6.117 -11.089 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.612 -9.270 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.108 -8.781 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.906 -10.524 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.973 -10.326 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.034 -8.896 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.541 -10.455 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.976 -11.110 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.457 -11.608 -4.671 1.00 0.00 H new ATOM 1029 N LEU A 66 4.883 -8.595 0.319 1.00 0.00 N ATOM 1030 CA LEU A 66 4.173 -8.690 1.583 1.00 0.00 C ATOM 1031 C LEU A 66 2.717 -9.077 1.318 1.00 0.00 C ATOM 1032 O LEU A 66 2.276 -9.097 0.170 1.00 0.00 O ATOM 1033 CB LEU A 66 4.329 -7.395 2.384 1.00 0.00 C ATOM 1034 CG LEU A 66 5.672 -6.676 2.241 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.509 -5.166 2.433 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.714 -7.265 3.194 1.00 0.00 C ATOM 0 H LEU A 66 4.581 -7.829 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 66 4.604 -9.476 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.538 -6.708 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.171 -7.622 3.438 1.00 0.00 H new ATOM 0 HG LEU A 66 6.037 -6.834 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.478 -4.679 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.822 -4.776 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.110 -4.967 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.659 -6.736 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.368 -7.158 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.858 -8.322 2.968 1.00 0.00 H new ATOM 1048 N ARG A 67 2.011 -9.374 2.399 1.00 0.00 N ATOM 1049 CA ARG A 67 0.614 -9.760 2.297 1.00 0.00 C ATOM 1050 C ARG A 67 -0.255 -8.838 3.155 1.00 0.00 C ATOM 1051 O ARG A 67 0.194 -8.337 4.185 1.00 0.00 O ATOM 1052 CB ARG A 67 0.408 -11.208 2.746 1.00 0.00 C ATOM 1053 CG ARG A 67 1.442 -12.133 2.103 1.00 0.00 C ATOM 1054 CD ARG A 67 0.857 -12.846 0.882 1.00 0.00 C ATOM 1055 NE ARG A 67 1.569 -14.124 0.653 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.416 -14.883 -0.440 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.576 -14.498 -1.411 1.00 0.00 N ATOM 1058 NH2 ARG A 67 2.103 -16.027 -0.563 1.00 0.00 N ATOM 0 H ARG A 67 2.380 -9.355 3.350 1.00 0.00 H new ATOM 0 HA ARG A 67 0.321 -9.671 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.484 -11.270 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.596 -11.537 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.317 -11.555 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.779 -12.870 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.206 -13.034 1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.944 -12.209 0.002 1.00 0.00 H new ATOM 0 HE ARG A 67 2.216 -14.446 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.053 -13.627 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.459 -15.076 -2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.742 -16.320 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.986 -16.605 -1.395 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.484 -8.643 2.700 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.420 -7.790 3.413 1.00 0.00 C ATOM 1074 C ASP A 68 -2.334 -8.088 4.912 1.00 0.00 C ATOM 1075 O ASP A 68 -2.124 -7.182 5.717 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.858 -8.052 2.961 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.251 -9.528 2.877 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.807 -10.179 1.907 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.986 -9.972 3.785 1.00 0.00 O ATOM 0 H ASP A 68 -1.853 -9.061 1.846 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.159 -6.753 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.537 -7.550 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.004 -7.597 1.981 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.500 -9.361 5.240 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.443 -9.789 6.628 1.00 0.00 C ATOM 1086 C GLN A 69 -1.127 -9.343 7.268 1.00 0.00 C ATOM 1087 O GLN A 69 -1.084 -9.036 8.458 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.623 -11.304 6.741 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.492 -12.045 6.025 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.822 -13.532 5.872 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.556 -14.115 6.652 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.240 -14.109 4.824 1.00 0.00 N ATOM 0 H GLN A 69 -2.674 -10.110 4.569 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.264 -9.317 7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.645 -11.594 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.582 -11.593 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.327 -11.602 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.565 -11.930 6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.636 -13.562 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.398 -15.099 4.634 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.086 -9.321 6.449 1.00 0.00 N ATOM 1102 CA ASP A 70 1.228 -8.918 6.920 1.00 0.00 C ATOM 1103 C ASP A 70 1.232 -7.410 7.180 1.00 0.00 C ATOM 1104 O ASP A 70 0.738 -6.635 6.363 1.00 0.00 O ATOM 1105 CB ASP A 70 2.305 -9.220 5.876 1.00 0.00 C ATOM 1106 CG ASP A 70 2.262 -10.634 5.294 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.443 -11.432 5.800 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.050 -10.886 4.356 1.00 0.00 O ATOM 0 H ASP A 70 -0.126 -9.576 5.462 1.00 0.00 H new ATOM 0 HA ASP A 70 1.444 -9.475 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.209 -8.504 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.284 -9.059 6.328 1.00 0.00 H new ATOM 1113 N ILE A 71 1.794 -7.040 8.322 1.00 0.00 N ATOM 1114 CA ILE A 71 1.868 -5.639 8.699 1.00 0.00 C ATOM 1115 C ILE A 71 3.175 -5.042 8.175 1.00 0.00 C ATOM 1116 O ILE A 71 4.091 -5.774 7.803 1.00 0.00 O ATOM 1117 CB ILE A 71 1.681 -5.480 10.210 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.219 -5.688 10.607 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.219 -4.131 10.690 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.330 -6.990 10.018 1.00 0.00 C ATOM 0 H ILE A 71 2.202 -7.686 8.998 1.00 0.00 H new ATOM 0 HA ILE A 71 1.054 -5.078 8.239 1.00 0.00 H new ATOM 0 HB ILE A 71 2.263 -6.255 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.133 -5.712 11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.379 -4.846 10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.074 -4.044 11.767 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.282 -4.061 10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.685 -3.326 10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.371 -7.113 10.316 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.265 -6.953 8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.255 -7.832 10.388 1.00 0.00 H new ATOM 1132 N LEU A 72 3.221 -3.718 8.162 1.00 0.00 N ATOM 1133 CA LEU A 72 4.401 -3.014 7.689 1.00 0.00 C ATOM 1134 C LEU A 72 5.511 -3.130 8.736 1.00 0.00 C ATOM 1135 O LEU A 72 6.504 -3.823 8.519 1.00 0.00 O ATOM 1136 CB LEU A 72 4.053 -1.571 7.319 1.00 0.00 C ATOM 1137 CG LEU A 72 2.801 -1.383 6.459 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.641 0.078 6.036 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.814 -2.330 5.258 1.00 0.00 C ATOM 0 H LEU A 72 2.460 -3.114 8.472 1.00 0.00 H new ATOM 0 HA LEU A 72 4.776 -3.471 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.926 -1.001 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.902 -1.138 6.790 1.00 0.00 H new ATOM 0 HG LEU A 72 1.930 -1.640 7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.744 0.184 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.553 0.706 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.512 0.387 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.913 -2.176 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.692 -2.128 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.845 -3.362 5.608 1.00 0.00 H new ATOM 1151 N SER A 73 5.307 -2.439 9.848 1.00 0.00 N ATOM 1152 CA SER A 73 6.278 -2.456 10.928 1.00 0.00 C ATOM 1153 C SER A 73 6.792 -3.880 11.149 1.00 0.00 C ATOM 1154 O SER A 73 7.998 -4.117 11.137 1.00 0.00 O ATOM 1155 CB SER A 73 5.674 -1.903 12.221 1.00 0.00 C ATOM 1156 OG SER A 73 5.935 -2.750 13.337 1.00 0.00 O ATOM 0 H SER A 73 4.483 -1.864 10.024 1.00 0.00 H new ATOM 0 HA SER A 73 7.113 -1.815 10.646 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.081 -0.911 12.416 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.597 -1.787 12.098 1.00 0.00 H new ATOM 0 HG SER A 73 5.535 -2.362 14.143 1.00 0.00 H new ATOM 1162 N GLN A 74 5.850 -4.791 11.345 1.00 0.00 N ATOM 1163 CA GLN A 74 6.192 -6.185 11.568 1.00 0.00 C ATOM 1164 C GLN A 74 7.273 -6.631 10.581 1.00 0.00 C ATOM 1165 O GLN A 74 8.346 -7.074 10.988 1.00 0.00 O ATOM 1166 CB GLN A 74 4.953 -7.077 11.464 1.00 0.00 C ATOM 1167 CG GLN A 74 4.350 -7.342 12.845 1.00 0.00 C ATOM 1168 CD GLN A 74 3.779 -8.759 12.931 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.483 -9.726 13.168 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.467 -8.826 12.726 1.00 0.00 N ATOM 0 H GLN A 74 4.850 -4.591 11.354 1.00 0.00 H new ATOM 0 HA GLN A 74 6.587 -6.285 12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.210 -6.600 10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.220 -8.023 10.992 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.113 -7.207 13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.563 -6.616 13.047 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.937 -7.976 12.532 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.990 -9.727 12.763 1.00 0.00 H new ATOM 1179 N ARG A 75 6.953 -6.498 9.302 1.00 0.00 N ATOM 1180 CA ARG A 75 7.884 -6.881 8.254 1.00 0.00 C ATOM 1181 C ARG A 75 9.201 -6.120 8.410 1.00 0.00 C ATOM 1182 O ARG A 75 10.269 -6.650 8.106 1.00 0.00 O ATOM 1183 CB ARG A 75 7.300 -6.598 6.869 1.00 0.00 C ATOM 1184 CG ARG A 75 6.115 -7.520 6.574 1.00 0.00 C ATOM 1185 CD ARG A 75 6.581 -8.961 6.360 1.00 0.00 C ATOM 1186 NE ARG A 75 5.455 -9.896 6.580 1.00 0.00 N ATOM 1187 CZ ARG A 75 4.949 -10.193 7.784 1.00 0.00 C ATOM 1188 NH1 ARG A 75 5.466 -9.630 8.885 1.00 0.00 N ATOM 1189 NH2 ARG A 75 3.926 -11.052 7.888 1.00 0.00 N ATOM 0 H ARG A 75 6.062 -6.130 8.968 1.00 0.00 H new ATOM 0 HA ARG A 75 8.066 -7.952 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.979 -5.558 6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.070 -6.736 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.406 -7.482 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.589 -7.169 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.970 -9.079 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.396 -9.194 7.045 1.00 0.00 H new ATOM 0 HE ARG A 75 5.038 -10.342 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.244 -8.976 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.081 -9.856 9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.532 -11.480 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.541 -11.278 8.805 1.00 0.00 H new ATOM 1203 N GLY A 76 9.084 -4.888 8.883 1.00 0.00 N ATOM 1204 CA GLY A 76 10.253 -4.048 9.083 1.00 0.00 C ATOM 1205 C GLY A 76 9.970 -2.605 8.660 1.00 0.00 C ATOM 1206 O GLY A 76 10.541 -1.668 9.216 1.00 0.00 O ATOM 0 H GLY A 76 8.197 -4.451 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.547 -4.072 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.091 -4.442 8.508 1.00 0.00 H new ATOM 1210 N ILE A 77 9.088 -2.471 7.680 1.00 0.00 N ATOM 1211 CA ILE A 77 8.723 -1.158 7.176 1.00 0.00 C ATOM 1212 C ILE A 77 8.606 -0.182 8.347 1.00 0.00 C ATOM 1213 O ILE A 77 7.638 -0.229 9.106 1.00 0.00 O ATOM 1214 CB ILE A 77 7.458 -1.246 6.320 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.749 -1.922 4.978 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.820 0.133 6.140 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.466 -2.469 4.350 1.00 0.00 C ATOM 0 H ILE A 77 8.616 -3.250 7.222 1.00 0.00 H new ATOM 0 HA ILE A 77 9.501 -0.773 6.516 1.00 0.00 H new ATOM 0 HB ILE A 77 6.734 -1.870 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.214 -1.207 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.462 -2.734 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.923 0.042 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.554 0.541 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.528 0.800 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.701 -2.944 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.017 -3.202 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.765 -1.651 4.184 1.00 0.00 H new ATOM 1229 N LEU A 78 9.605 0.682 8.459 1.00 0.00 N ATOM 1230 CA LEU A 78 9.626 1.668 9.525 1.00 0.00 C ATOM 1231 C LEU A 78 9.541 3.070 8.919 1.00 0.00 C ATOM 1232 O LEU A 78 9.162 3.227 7.759 1.00 0.00 O ATOM 1233 CB LEU A 78 10.846 1.460 10.424 1.00 0.00 C ATOM 1234 CG LEU A 78 10.554 1.045 11.867 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.671 -0.204 11.910 1.00 0.00 C ATOM 1236 CD2 LEU A 78 11.851 0.857 12.657 1.00 0.00 C ATOM 0 H LEU A 78 10.406 0.719 7.828 1.00 0.00 H new ATOM 0 HA LEU A 78 8.758 1.547 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.481 0.700 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.421 2.386 10.443 1.00 0.00 H new ATOM 0 HG LEU A 78 9.998 1.850 12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.478 -0.478 12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.726 0.001 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.179 -1.026 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.615 0.562 13.679 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.455 0.081 12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.409 1.793 12.669 1.00 0.00 H new ATOM 1248 N ASP A 79 9.899 4.054 9.731 1.00 0.00 N ATOM 1249 CA ASP A 79 9.867 5.438 9.289 1.00 0.00 C ATOM 1250 C ASP A 79 11.031 5.688 8.327 1.00 0.00 C ATOM 1251 O ASP A 79 12.167 5.312 8.611 1.00 0.00 O ATOM 1252 CB ASP A 79 10.017 6.397 10.471 1.00 0.00 C ATOM 1253 CG ASP A 79 11.017 5.955 11.541 1.00 0.00 C ATOM 1254 OD1 ASP A 79 11.963 5.229 11.167 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.812 6.352 12.708 1.00 0.00 O ATOM 0 H ASP A 79 10.213 3.920 10.692 1.00 0.00 H new ATOM 0 HA ASP A 79 8.909 5.614 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.322 7.372 10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.041 6.528 10.939 1.00 0.00 H new ATOM 1260 N GLY A 80 10.708 6.322 7.210 1.00 0.00 N ATOM 1261 CA GLY A 80 11.712 6.627 6.205 1.00 0.00 C ATOM 1262 C GLY A 80 12.132 5.365 5.449 1.00 0.00 C ATOM 1263 O GLY A 80 13.315 5.164 5.179 1.00 0.00 O ATOM 0 H GLY A 80 9.765 6.633 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.317 7.361 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.583 7.077 6.681 1.00 0.00 H new ATOM 1267 N SER A 81 11.140 4.547 5.129 1.00 0.00 N ATOM 1268 CA SER A 81 11.392 3.310 4.410 1.00 0.00 C ATOM 1269 C SER A 81 10.901 3.435 2.966 1.00 0.00 C ATOM 1270 O SER A 81 10.037 4.259 2.670 1.00 0.00 O ATOM 1271 CB SER A 81 10.714 2.124 5.100 1.00 0.00 C ATOM 1272 OG SER A 81 10.912 2.143 6.511 1.00 0.00 O ATOM 0 H SER A 81 10.160 4.717 5.355 1.00 0.00 H new ATOM 0 HA SER A 81 12.467 3.129 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.646 2.141 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.107 1.193 4.691 1.00 0.00 H new ATOM 0 HG SER A 81 10.373 2.859 6.907 1.00 0.00 H new ATOM 1278 N THR A 82 11.474 2.605 2.107 1.00 0.00 N ATOM 1279 CA THR A 82 11.105 2.613 0.701 1.00 0.00 C ATOM 1280 C THR A 82 10.375 1.319 0.334 1.00 0.00 C ATOM 1281 O THR A 82 10.895 0.226 0.548 1.00 0.00 O ATOM 1282 CB THR A 82 12.376 2.846 -0.119 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.680 4.222 0.096 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.125 2.751 -1.626 1.00 0.00 C ATOM 0 H THR A 82 12.190 1.923 2.357 1.00 0.00 H new ATOM 0 HA THR A 82 10.405 3.419 0.480 1.00 0.00 H new ATOM 0 HB THR A 82 13.134 2.118 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.492 4.459 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.058 2.924 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.745 1.759 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.393 3.502 -1.921 1.00 0.00 H new ATOM 1292 N VAL A 83 9.179 1.487 -0.212 1.00 0.00 N ATOM 1293 CA VAL A 83 8.371 0.347 -0.610 1.00 0.00 C ATOM 1294 C VAL A 83 8.002 0.481 -2.089 1.00 0.00 C ATOM 1295 O VAL A 83 7.518 1.526 -2.519 1.00 0.00 O ATOM 1296 CB VAL A 83 7.149 0.227 0.303 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.389 -1.073 0.033 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.552 0.332 1.775 1.00 0.00 C ATOM 0 H VAL A 83 8.750 2.396 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 83 8.935 -0.579 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 83 6.480 1.058 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.525 -1.134 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.053 -1.090 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.046 -1.923 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.665 0.244 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.250 -0.469 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.028 1.296 1.954 1.00 0.00 H new ATOM 1308 N HIS A 84 8.246 -0.593 -2.826 1.00 0.00 N ATOM 1309 CA HIS A 84 7.945 -0.609 -4.247 1.00 0.00 C ATOM 1310 C HIS A 84 6.477 -0.984 -4.457 1.00 0.00 C ATOM 1311 O HIS A 84 5.999 -1.972 -3.903 1.00 0.00 O ATOM 1312 CB HIS A 84 8.906 -1.535 -4.995 1.00 0.00 C ATOM 1313 CG HIS A 84 10.298 -0.973 -5.159 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.690 -0.256 -6.276 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.385 -1.030 -4.337 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.958 0.097 -6.122 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.387 -0.384 -4.920 1.00 0.00 N ATOM 0 H HIS A 84 8.649 -1.458 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 84 8.093 0.387 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.969 -2.484 -4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.494 -1.750 -5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.424 -1.518 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.548 0.666 -6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.323 -0.267 -4.533 1.00 0.00 H new ATOM 1325 N VAL A 85 5.801 -0.173 -5.259 1.00 0.00 N ATOM 1326 CA VAL A 85 4.397 -0.407 -5.549 1.00 0.00 C ATOM 1327 C VAL A 85 4.267 -1.053 -6.929 1.00 0.00 C ATOM 1328 O VAL A 85 5.103 -0.832 -7.804 1.00 0.00 O ATOM 1329 CB VAL A 85 3.612 0.900 -5.424 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.889 1.821 -6.615 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.114 0.629 -5.278 1.00 0.00 C ATOM 0 H VAL A 85 6.200 0.647 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 85 3.967 -1.099 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 85 3.949 1.408 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.319 2.743 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.953 2.055 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.593 1.322 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.580 1.575 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.755 0.089 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.938 0.030 -4.385 1.00 0.00 H new ATOM 1341 N VAL A 86 3.211 -1.840 -7.082 1.00 0.00 N ATOM 1342 CA VAL A 86 2.960 -2.520 -8.341 1.00 0.00 C ATOM 1343 C VAL A 86 1.455 -2.546 -8.611 1.00 0.00 C ATOM 1344 O VAL A 86 0.653 -2.527 -7.678 1.00 0.00 O ATOM 1345 CB VAL A 86 3.587 -3.915 -8.316 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.884 -4.850 -9.302 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.089 -3.847 -8.602 1.00 0.00 C ATOM 0 H VAL A 86 2.520 -2.021 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 86 3.428 -1.982 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 86 3.455 -4.323 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.349 -5.835 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.831 -4.936 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.970 -4.446 -10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.510 -4.852 -8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.252 -3.408 -9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.576 -3.232 -7.845 1.00 0.00 H new ATOM 1357 N VAL A 87 1.116 -2.589 -9.891 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.280 -2.618 -10.295 1.00 0.00 C ATOM 1359 C VAL A 87 -0.484 -3.729 -11.327 1.00 0.00 C ATOM 1360 O VAL A 87 -0.695 -3.454 -12.507 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.704 -1.240 -10.808 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.227 -1.089 -10.778 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.027 -0.125 -10.009 1.00 0.00 C ATOM 0 H VAL A 87 1.784 -2.604 -10.662 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.921 -2.844 -9.443 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.379 -1.154 -11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.502 -0.101 -11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.681 -1.852 -11.410 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.584 -1.206 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.346 0.844 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.307 -0.208 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.055 -0.215 -10.104 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.415 -4.961 -10.844 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.591 -6.114 -11.710 1.00 0.00 C ATOM 1375 C ARG A 88 -1.705 -5.852 -12.725 1.00 0.00 C ATOM 1376 O ARG A 88 -2.585 -5.027 -12.487 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.934 -7.365 -10.898 1.00 0.00 C ATOM 1378 CG ARG A 88 0.332 -8.032 -10.356 1.00 0.00 C ATOM 1379 CD ARG A 88 0.032 -8.819 -9.079 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.007 -10.269 -9.376 1.00 0.00 N ATOM 1381 CZ ARG A 88 1.074 -11.007 -9.662 1.00 0.00 C ATOM 1382 NH1 ARG A 88 2.286 -10.436 -9.691 1.00 0.00 N ATOM 1383 NH2 ARG A 88 0.943 -12.315 -9.918 1.00 0.00 N ATOM 0 H ARG A 88 -0.240 -5.186 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 88 0.350 -6.281 -12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.591 -7.097 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.481 -8.070 -11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.747 -8.700 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.088 -7.274 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.794 -8.614 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.922 -8.499 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.914 -10.735 -9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.385 -9.440 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.109 -10.998 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.020 -12.749 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.766 -12.877 -10.136 1.00 0.00 H new ATOM 1397 N SER A 89 -1.630 -6.569 -13.837 1.00 0.00 N ATOM 1398 CA SER A 89 -2.621 -6.424 -14.889 1.00 0.00 C ATOM 1399 C SER A 89 -2.750 -7.733 -15.671 1.00 0.00 C ATOM 1400 O SER A 89 -3.844 -8.281 -15.795 1.00 0.00 O ATOM 1401 CB SER A 89 -2.258 -5.276 -15.834 1.00 0.00 C ATOM 1402 OG SER A 89 -2.692 -4.015 -15.332 1.00 0.00 O ATOM 0 H SER A 89 -0.898 -7.252 -14.032 1.00 0.00 H new ATOM 0 HA SER A 89 -3.579 -6.189 -14.425 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.178 -5.255 -15.982 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.710 -5.453 -16.810 1.00 0.00 H new ATOM 0 HG SER A 89 -2.784 -4.065 -14.358 1.00 0.00 H new ATOM 1408 N HIS A 90 -1.617 -8.197 -16.177 1.00 0.00 N ATOM 1409 CA HIS A 90 -1.590 -9.432 -16.943 1.00 0.00 C ATOM 1410 C HIS A 90 -0.161 -9.976 -16.989 1.00 0.00 C ATOM 1411 O HIS A 90 0.455 -10.026 -18.053 1.00 0.00 O ATOM 1412 CB HIS A 90 -2.189 -9.221 -18.335 1.00 0.00 C ATOM 1413 CG HIS A 90 -2.914 -10.428 -18.880 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -3.778 -11.193 -18.116 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -2.895 -10.994 -20.121 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -4.252 -12.172 -18.873 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -3.703 -12.047 -20.115 1.00 0.00 N ATOM 0 H HIS A 90 -0.711 -7.740 -16.072 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.212 -10.182 -16.453 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.881 -8.380 -18.298 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.391 -8.947 -19.025 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.320 -10.644 -20.966 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.950 -12.935 -18.561 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.884 -12.662 -20.909 1.00 0.00 H new ATOM 1425 N SER A 91 0.326 -10.370 -15.821 1.00 0.00 N ATOM 1426 CA SER A 91 1.672 -10.908 -15.715 1.00 0.00 C ATOM 1427 C SER A 91 1.751 -12.262 -16.423 1.00 0.00 C ATOM 1428 O SER A 91 1.055 -13.205 -16.048 1.00 0.00 O ATOM 1429 CB SER A 91 2.094 -11.049 -14.251 1.00 0.00 C ATOM 1430 OG SER A 91 2.416 -9.791 -13.665 1.00 0.00 O ATOM 0 H SER A 91 -0.187 -10.327 -14.940 1.00 0.00 H new ATOM 0 HA SER A 91 2.358 -10.212 -16.198 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.289 -11.517 -13.685 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.957 -11.711 -14.185 1.00 0.00 H new ATOM 0 HG SER A 91 2.679 -9.923 -12.730 1.00 0.00 H new ATOM 1436 N GLY A 92 2.605 -12.316 -17.435 1.00 0.00 N ATOM 1437 CA GLY A 92 2.784 -13.539 -18.199 1.00 0.00 C ATOM 1438 C GLY A 92 3.629 -13.285 -19.449 1.00 0.00 C ATOM 1439 O GLY A 92 4.846 -13.467 -19.428 1.00 0.00 O ATOM 0 H GLY A 92 3.180 -11.532 -17.743 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.266 -14.293 -17.577 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.811 -13.937 -18.488 1.00 0.00 H new ATOM 1443 N PRO A 93 2.933 -12.858 -20.536 1.00 0.00 N ATOM 1444 CA PRO A 93 3.606 -12.578 -21.793 1.00 0.00 C ATOM 1445 C PRO A 93 4.373 -11.256 -21.722 1.00 0.00 C ATOM 1446 O PRO A 93 4.151 -10.361 -22.536 1.00 0.00 O ATOM 1447 CB PRO A 93 2.502 -12.568 -22.837 1.00 0.00 C ATOM 1448 CG PRO A 93 1.203 -12.381 -22.069 1.00 0.00 C ATOM 1449 CD PRO A 93 1.492 -12.632 -20.598 1.00 0.00 C ATOM 0 HA PRO A 93 4.363 -13.323 -22.040 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.651 -11.761 -23.555 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.491 -13.500 -23.402 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.815 -11.373 -22.215 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.442 -13.072 -22.432 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.198 -11.779 -19.986 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.940 -13.496 -20.228 1.00 0.00 H new ATOM 1457 N SER A 94 5.259 -11.175 -20.740 1.00 0.00 N ATOM 1458 CA SER A 94 6.060 -9.977 -20.552 1.00 0.00 C ATOM 1459 C SER A 94 7.421 -10.346 -19.959 1.00 0.00 C ATOM 1460 O SER A 94 7.518 -10.684 -18.780 1.00 0.00 O ATOM 1461 CB SER A 94 5.343 -8.971 -19.650 1.00 0.00 C ATOM 1462 OG SER A 94 5.121 -9.491 -18.341 1.00 0.00 O ATOM 0 H SER A 94 5.440 -11.919 -20.066 1.00 0.00 H new ATOM 0 HA SER A 94 6.209 -9.509 -21.525 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.935 -8.059 -19.582 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.388 -8.698 -20.099 1.00 0.00 H new ATOM 0 HG SER A 94 5.874 -10.064 -18.085 1.00 0.00 H new ATOM 1468 N SER A 95 8.440 -10.268 -20.803 1.00 0.00 N ATOM 1469 CA SER A 95 9.791 -10.590 -20.377 1.00 0.00 C ATOM 1470 C SER A 95 9.923 -12.096 -20.146 1.00 0.00 C ATOM 1471 O SER A 95 10.737 -12.758 -20.789 1.00 0.00 O ATOM 1472 CB SER A 95 10.165 -9.823 -19.107 1.00 0.00 C ATOM 1473 OG SER A 95 11.483 -9.285 -19.176 1.00 0.00 O ATOM 0 H SER A 95 8.357 -9.986 -21.780 1.00 0.00 H new ATOM 0 HA SER A 95 10.479 -10.289 -21.167 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.451 -9.014 -18.949 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.090 -10.488 -18.247 1.00 0.00 H new ATOM 0 HG SER A 95 11.683 -8.802 -18.347 1.00 0.00 H new ATOM 1479 N GLY A 96 9.110 -12.595 -19.226 1.00 0.00 N ATOM 1480 CA GLY A 96 9.125 -14.011 -18.902 1.00 0.00 C ATOM 1481 C GLY A 96 8.135 -14.328 -17.780 1.00 0.00 C ATOM 1482 O GLY A 96 6.977 -14.650 -18.040 1.00 0.00 O ATOM 0 H GLY A 96 8.436 -12.043 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.874 -14.593 -19.789 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.129 -14.308 -18.600 1.00 0.00 H new TER 1486 GLY A 96