USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 776 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 NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 HIS : no HE2:sc= -9.41! C(o=-9.8!,f=-10!) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.398 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0776 (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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.2 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0.408 (180deg=0.156) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -9:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.179) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -58:sc= 0.0413 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0268 (180deg=-0.212) USER MOD Single : A 39 SER OG : rot -115:sc= 1.24 USER MOD Single : A 42 MET CE :methyl 134:sc= -0.885 (180deg=-2.58!) USER MOD Single : A 45 MET CE :methyl 149:sc= -1.38 (180deg=-2.92!) USER MOD Single : A 47 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.72) USER MOD Single : A 48 SER OG : rot 180:sc= -0.166 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.0147 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-1.5) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -3.1! K(o=-3.1!,f=-0.012) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.5!) USER MOD Single : A 90 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.071) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 147:sc= 0.0742 USER MOD Single : A 101 SER OG : rot 43:sc= 0.459 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.782 14.309 26.716 1.00 0.00 N ATOM 2 CA GLY A 1 -8.770 13.275 26.832 1.00 0.00 C ATOM 3 C GLY A 1 -8.402 12.671 25.492 1.00 0.00 C ATOM 4 O GLY A 1 -9.093 12.885 24.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.355 15.236 26.916 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.171 14.307 25.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.546 14.125 27.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.877 13.695 27.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.133 12.489 27.494 1.00 0.00 H new ATOM 8 N SER A 2 -7.309 11.916 25.466 1.00 0.00 N ATOM 9 CA SER A 2 -6.846 11.283 24.236 1.00 0.00 C ATOM 10 C SER A 2 -5.876 10.146 24.542 1.00 0.00 C ATOM 11 O SER A 2 -5.168 10.173 25.548 1.00 0.00 O ATOM 12 CB SER A 2 -6.171 12.315 23.330 1.00 0.00 C ATOM 13 OG SER A 2 -5.103 12.961 23.999 1.00 0.00 O ATOM 0 H SER A 2 -6.727 11.727 26.282 1.00 0.00 H new ATOM 0 HA SER A 2 -7.713 10.869 23.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.797 11.825 22.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.904 13.055 23.008 1.00 0.00 H new ATOM 0 HG SER A 2 -4.688 13.614 23.398 1.00 0.00 H new ATOM 19 N SER A 3 -5.849 9.147 23.665 1.00 0.00 N ATOM 20 CA SER A 3 -4.970 7.998 23.841 1.00 0.00 C ATOM 21 C SER A 3 -3.505 8.415 23.746 1.00 0.00 C ATOM 22 O SER A 3 -2.713 8.151 24.649 1.00 0.00 O ATOM 23 CB SER A 3 -5.276 6.928 22.792 1.00 0.00 C ATOM 24 OG SER A 3 -4.828 5.653 23.217 1.00 0.00 O ATOM 0 H SER A 3 -6.427 9.111 22.825 1.00 0.00 H new ATOM 0 HA SER A 3 -5.149 7.584 24.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.349 6.895 22.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.795 7.190 21.850 1.00 0.00 H new ATOM 0 HG SER A 3 -5.037 4.987 22.529 1.00 0.00 H new ATOM 30 N GLY A 4 -3.153 9.070 22.644 1.00 0.00 N ATOM 31 CA GLY A 4 -1.785 9.513 22.449 1.00 0.00 C ATOM 32 C GLY A 4 -1.445 9.720 20.986 1.00 0.00 C ATOM 33 O GLY A 4 -2.321 9.662 20.124 1.00 0.00 O ATOM 0 H GLY A 4 -3.791 9.302 21.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.628 10.446 22.991 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.104 8.777 22.877 1.00 0.00 H new ATOM 37 N SER A 5 -0.169 9.964 20.706 1.00 0.00 N ATOM 38 CA SER A 5 0.284 10.186 19.338 1.00 0.00 C ATOM 39 C SER A 5 1.808 10.237 19.272 1.00 0.00 C ATOM 40 O SER A 5 2.470 10.618 20.237 1.00 0.00 O ATOM 41 CB SER A 5 -0.305 11.486 18.788 1.00 0.00 C ATOM 42 OG SER A 5 0.007 12.583 19.628 1.00 0.00 O ATOM 0 H SER A 5 0.569 10.013 21.408 1.00 0.00 H new ATOM 0 HA SER A 5 -0.061 9.352 18.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.083 11.669 17.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.387 11.389 18.698 1.00 0.00 H new ATOM 0 HG SER A 5 -0.379 13.402 19.253 1.00 0.00 H new ATOM 48 N SER A 6 2.357 9.850 18.125 1.00 0.00 N ATOM 49 CA SER A 6 3.803 9.848 17.932 1.00 0.00 C ATOM 50 C SER A 6 4.170 10.434 16.573 1.00 0.00 C ATOM 51 O SER A 6 3.299 10.754 15.766 1.00 0.00 O ATOM 52 CB SER A 6 4.352 8.425 18.052 1.00 0.00 C ATOM 53 OG SER A 6 4.607 8.089 19.404 1.00 0.00 O ATOM 0 H SER A 6 1.823 9.534 17.316 1.00 0.00 H new ATOM 0 HA SER A 6 4.250 10.469 18.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.638 7.719 17.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.271 8.336 17.473 1.00 0.00 H new ATOM 0 HG SER A 6 4.955 7.174 19.454 1.00 0.00 H new ATOM 59 N GLY A 7 5.470 10.573 16.327 1.00 0.00 N ATOM 60 CA GLY A 7 5.932 11.121 15.065 1.00 0.00 C ATOM 61 C GLY A 7 7.429 10.973 14.882 1.00 0.00 C ATOM 62 O GLY A 7 8.213 11.572 15.618 1.00 0.00 O ATOM 0 H GLY A 7 6.211 10.316 16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.418 10.620 14.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.665 12.176 15.011 1.00 0.00 H new ATOM 66 N MET A 8 7.828 10.172 13.900 1.00 0.00 N ATOM 67 CA MET A 8 9.242 9.947 13.623 1.00 0.00 C ATOM 68 C MET A 8 9.621 10.490 12.249 1.00 0.00 C ATOM 69 O MET A 8 8.753 10.827 11.444 1.00 0.00 O ATOM 70 CB MET A 8 9.568 8.454 13.702 1.00 0.00 C ATOM 71 CG MET A 8 9.801 7.956 15.119 1.00 0.00 C ATOM 72 SD MET A 8 11.122 8.849 15.960 1.00 0.00 S ATOM 73 CE MET A 8 12.565 8.005 15.316 1.00 0.00 C ATOM 0 H MET A 8 7.192 9.668 13.282 1.00 0.00 H new ATOM 0 HA MET A 8 9.823 10.479 14.377 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.750 7.888 13.257 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.457 8.253 13.104 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.879 8.056 15.691 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.046 6.894 15.091 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.465 8.445 15.745 1.00 0.00 H new ATOM 0 HE2 MET A 8 12.517 6.949 15.580 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.592 8.107 14.231 1.00 0.00 H new ATOM 83 N ALA A 9 10.921 10.574 11.988 1.00 0.00 N ATOM 84 CA ALA A 9 11.414 11.075 10.711 1.00 0.00 C ATOM 85 C ALA A 9 10.738 10.362 9.545 1.00 0.00 C ATOM 86 O ALA A 9 10.308 9.216 9.671 1.00 0.00 O ATOM 87 CB ALA A 9 12.924 10.913 10.628 1.00 0.00 C ATOM 0 H ALA A 9 11.652 10.301 12.644 1.00 0.00 H new ATOM 0 HA ALA A 9 11.170 12.135 10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.278 11.291 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.395 11.473 11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.182 9.858 10.720 1.00 0.00 H new ATOM 93 N GLU A 10 10.649 11.048 8.410 1.00 0.00 N ATOM 94 CA GLU A 10 10.024 10.479 7.221 1.00 0.00 C ATOM 95 C GLU A 10 11.008 10.436 6.056 1.00 0.00 C ATOM 96 O GLU A 10 11.888 11.290 5.941 1.00 0.00 O ATOM 97 CB GLU A 10 8.788 11.292 6.829 1.00 0.00 C ATOM 98 CG GLU A 10 9.117 12.651 6.234 1.00 0.00 C ATOM 99 CD GLU A 10 9.703 13.608 7.254 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.260 13.573 8.422 1.00 0.00 O ATOM 101 OE2 GLU A 10 10.603 14.391 6.886 1.00 0.00 O ATOM 0 H GLU A 10 11.001 11.997 8.288 1.00 0.00 H new ATOM 0 HA GLU A 10 9.720 9.459 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.202 10.722 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.161 11.432 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.823 12.523 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.212 13.087 5.810 1.00 0.00 H new ATOM 108 N SER A 11 10.854 9.436 5.195 1.00 0.00 N ATOM 109 CA SER A 11 11.732 9.278 4.041 1.00 0.00 C ATOM 110 C SER A 11 11.144 9.966 2.813 1.00 0.00 C ATOM 111 O SER A 11 11.840 10.688 2.099 1.00 0.00 O ATOM 112 CB SER A 11 11.961 7.794 3.747 1.00 0.00 C ATOM 113 OG SER A 11 12.815 7.209 4.715 1.00 0.00 O ATOM 0 H SER A 11 10.129 8.723 5.274 1.00 0.00 H new ATOM 0 HA SER A 11 12.688 9.746 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.005 7.270 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.398 7.680 2.755 1.00 0.00 H new ATOM 0 HG SER A 11 12.945 6.260 4.506 1.00 0.00 H new ATOM 119 N SER A 12 9.856 9.738 2.574 1.00 0.00 N ATOM 120 CA SER A 12 9.174 10.332 1.431 1.00 0.00 C ATOM 121 C SER A 12 7.672 10.423 1.682 1.00 0.00 C ATOM 122 O SER A 12 7.022 9.425 1.994 1.00 0.00 O ATOM 123 CB SER A 12 9.443 9.512 0.167 1.00 0.00 C ATOM 124 OG SER A 12 10.832 9.424 -0.098 1.00 0.00 O ATOM 0 H SER A 12 9.264 9.146 3.157 1.00 0.00 H new ATOM 0 HA SER A 12 9.563 11.341 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.028 8.511 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.936 9.970 -0.682 1.00 0.00 H new ATOM 0 HG SER A 12 10.977 8.894 -0.909 1.00 0.00 H new ATOM 130 N ASP A 13 7.127 11.627 1.543 1.00 0.00 N ATOM 131 CA ASP A 13 5.702 11.850 1.753 1.00 0.00 C ATOM 132 C ASP A 13 4.909 11.530 0.489 1.00 0.00 C ATOM 133 O ASP A 13 4.049 12.305 0.070 1.00 0.00 O ATOM 134 CB ASP A 13 5.447 13.297 2.177 1.00 0.00 C ATOM 135 CG ASP A 13 5.711 13.523 3.653 1.00 0.00 C ATOM 136 OD1 ASP A 13 6.650 12.899 4.190 1.00 0.00 O ATOM 137 OD2 ASP A 13 4.979 14.325 4.270 1.00 0.00 O ATOM 0 H ASP A 13 7.651 12.463 1.286 1.00 0.00 H new ATOM 0 HA ASP A 13 5.369 11.183 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.082 13.961 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.414 13.562 1.951 1.00 0.00 H new ATOM 142 N LYS A 14 5.206 10.385 -0.115 1.00 0.00 N ATOM 143 CA LYS A 14 4.522 9.961 -1.331 1.00 0.00 C ATOM 144 C LYS A 14 3.009 9.981 -1.140 1.00 0.00 C ATOM 145 O LYS A 14 2.507 9.700 -0.051 1.00 0.00 O ATOM 146 CB LYS A 14 4.977 8.556 -1.734 1.00 0.00 C ATOM 147 CG LYS A 14 6.460 8.464 -2.049 1.00 0.00 C ATOM 148 CD LYS A 14 6.744 7.388 -3.084 1.00 0.00 C ATOM 149 CE LYS A 14 8.116 7.569 -3.714 1.00 0.00 C ATOM 150 NZ LYS A 14 9.212 7.256 -2.755 1.00 0.00 N ATOM 0 H LYS A 14 5.916 9.733 0.218 1.00 0.00 H new ATOM 0 HA LYS A 14 4.780 10.662 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.742 7.862 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.408 8.235 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.815 9.427 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.014 8.247 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.685 6.406 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.979 7.417 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.203 6.923 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.222 8.596 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.064 6.976 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.420 8.097 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.917 6.476 -2.134 1.00 0.00 H new ATOM 164 N LEU A 15 2.288 10.315 -2.204 1.00 0.00 N ATOM 165 CA LEU A 15 0.831 10.371 -2.154 1.00 0.00 C ATOM 166 C LEU A 15 0.251 9.041 -1.683 1.00 0.00 C ATOM 167 O LEU A 15 -0.623 9.005 -0.816 1.00 0.00 O ATOM 168 CB LEU A 15 0.266 10.727 -3.531 1.00 0.00 C ATOM 169 CG LEU A 15 0.411 12.188 -3.957 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.341 12.312 -5.472 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.662 13.044 -3.300 1.00 0.00 C ATOM 0 H LEU A 15 2.688 10.551 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 15 0.547 11.144 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.757 10.101 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.793 10.468 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 15 1.386 12.547 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.446 13.359 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.146 11.731 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.619 11.935 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.543 14.081 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.647 12.685 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.565 12.980 -2.216 1.00 0.00 H new ATOM 183 N TYR A 16 0.744 7.950 -2.258 1.00 0.00 N ATOM 184 CA TYR A 16 0.275 6.617 -1.897 1.00 0.00 C ATOM 185 C TYR A 16 1.349 5.849 -1.134 1.00 0.00 C ATOM 186 O TYR A 16 2.541 6.130 -1.267 1.00 0.00 O ATOM 187 CB TYR A 16 -0.131 5.840 -3.151 1.00 0.00 C ATOM 188 CG TYR A 16 -1.096 6.588 -4.042 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.450 6.646 -3.739 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.652 7.239 -5.187 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.335 7.328 -4.551 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.530 7.925 -6.004 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.871 7.966 -5.682 1.00 0.00 C ATOM 194 OH TYR A 16 -3.749 8.648 -6.493 1.00 0.00 O ATOM 0 H TYR A 16 1.468 7.962 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.594 6.728 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.764 5.597 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.584 4.895 -2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.817 6.149 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.397 7.208 -5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.385 7.361 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.169 8.426 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.261 9.041 -7.246 1.00 0.00 H new ATOM 204 N ARG A 17 0.919 4.878 -0.335 1.00 0.00 N ATOM 205 CA ARG A 17 1.843 4.069 0.450 1.00 0.00 C ATOM 206 C ARG A 17 1.298 2.658 0.646 1.00 0.00 C ATOM 207 O ARG A 17 0.346 2.447 1.398 1.00 0.00 O ATOM 208 CB ARG A 17 2.098 4.723 1.810 1.00 0.00 C ATOM 209 CG ARG A 17 3.306 4.160 2.539 1.00 0.00 C ATOM 210 CD ARG A 17 3.528 4.858 3.872 1.00 0.00 C ATOM 211 NE ARG A 17 4.406 6.018 3.742 1.00 0.00 N ATOM 212 CZ ARG A 17 4.431 7.022 4.611 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.630 7.008 5.668 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.258 8.043 4.425 1.00 0.00 N ATOM 0 H ARG A 17 -0.064 4.633 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 17 2.784 4.004 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.237 5.795 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.215 4.596 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.167 3.092 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.193 4.273 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.568 5.174 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.960 4.154 4.583 1.00 0.00 H new ATOM 0 HE ARG A 17 5.034 6.059 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.993 6.225 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.651 7.780 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.876 8.058 3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.276 8.813 5.093 1.00 0.00 H new ATOM 228 N VAL A 18 1.908 1.693 -0.036 1.00 0.00 N ATOM 229 CA VAL A 18 1.484 0.301 0.064 1.00 0.00 C ATOM 230 C VAL A 18 2.490 -0.523 0.859 1.00 0.00 C ATOM 231 O VAL A 18 3.698 -0.414 0.653 1.00 0.00 O ATOM 232 CB VAL A 18 1.305 -0.332 -1.329 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.610 -0.288 -2.108 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.797 -1.760 -1.203 1.00 0.00 C ATOM 0 H VAL A 18 2.697 1.850 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 18 0.525 0.298 0.582 1.00 0.00 H new ATOM 0 HB VAL A 18 0.563 0.246 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.463 -0.740 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.927 0.748 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.377 -0.841 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.676 -2.192 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.514 -2.352 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.164 -1.760 -0.688 1.00 0.00 H new ATOM 244 N GLU A 19 1.982 -1.349 1.769 1.00 0.00 N ATOM 245 CA GLU A 19 2.837 -2.193 2.595 1.00 0.00 C ATOM 246 C GLU A 19 2.026 -3.297 3.268 1.00 0.00 C ATOM 247 O GLU A 19 0.799 -3.326 3.173 1.00 0.00 O ATOM 248 CB GLU A 19 3.550 -1.351 3.656 1.00 0.00 C ATOM 249 CG GLU A 19 2.622 -0.814 4.732 1.00 0.00 C ATOM 250 CD GLU A 19 3.181 0.413 5.426 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.413 0.611 5.377 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.388 1.173 6.019 1.00 0.00 O ATOM 0 H GLU A 19 0.984 -1.451 1.952 1.00 0.00 H new ATOM 0 HA GLU A 19 3.581 -2.656 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.326 -1.955 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.049 -0.514 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.659 -0.567 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.440 -1.594 5.472 1.00 0.00 H new ATOM 259 N TYR A 20 2.720 -4.204 3.946 1.00 0.00 N ATOM 260 CA TYR A 20 2.066 -5.312 4.631 1.00 0.00 C ATOM 261 C TYR A 20 1.535 -4.872 5.992 1.00 0.00 C ATOM 262 O TYR A 20 2.304 -4.578 6.906 1.00 0.00 O ATOM 263 CB TYR A 20 3.039 -6.479 4.804 1.00 0.00 C ATOM 264 CG TYR A 20 3.672 -6.936 3.509 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.891 -7.225 2.396 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.049 -7.081 3.398 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.464 -7.644 1.211 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.631 -7.499 2.217 1.00 0.00 C ATOM 269 CZ TYR A 20 4.834 -7.779 1.126 1.00 0.00 C ATOM 270 OH TYR A 20 5.410 -8.196 -0.052 1.00 0.00 O ATOM 0 H TYR A 20 3.736 -4.194 4.036 1.00 0.00 H new ATOM 0 HA TYR A 20 1.224 -5.638 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.825 -6.186 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.510 -7.318 5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.818 -7.120 2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.676 -6.863 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.843 -7.865 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.703 -7.606 2.148 1.00 0.00 H new ATOM 0 HH TYR A 20 4.711 -8.492 -0.671 1.00 0.00 H new ATOM 280 N ALA A 21 0.212 -4.831 6.119 1.00 0.00 N ATOM 281 CA ALA A 21 -0.424 -4.431 7.368 1.00 0.00 C ATOM 282 C ALA A 21 0.279 -5.059 8.567 1.00 0.00 C ATOM 283 O ALA A 21 0.537 -6.262 8.589 1.00 0.00 O ATOM 284 CB ALA A 21 -1.896 -4.814 7.357 1.00 0.00 C ATOM 0 H ALA A 21 -0.440 -5.070 5.372 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.343 -3.348 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.358 -4.509 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.396 -4.314 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.990 -5.894 7.240 1.00 0.00 H new ATOM 290 N LYS A 22 0.586 -4.236 9.564 1.00 0.00 N ATOM 291 CA LYS A 22 1.258 -4.709 10.768 1.00 0.00 C ATOM 292 C LYS A 22 0.259 -5.320 11.745 1.00 0.00 C ATOM 293 O LYS A 22 0.536 -6.340 12.376 1.00 0.00 O ATOM 294 CB LYS A 22 2.010 -3.560 11.443 1.00 0.00 C ATOM 295 CG LYS A 22 3.311 -3.194 10.750 1.00 0.00 C ATOM 296 CD LYS A 22 4.302 -2.568 11.717 1.00 0.00 C ATOM 297 CE LYS A 22 3.898 -1.149 12.087 1.00 0.00 C ATOM 298 NZ LYS A 22 4.062 -0.210 10.942 1.00 0.00 N ATOM 0 H LYS A 22 0.380 -3.237 9.562 1.00 0.00 H new ATOM 0 HA LYS A 22 1.971 -5.480 10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.364 -2.682 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.223 -3.834 12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.750 -4.087 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.107 -2.499 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.366 -3.176 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.295 -2.559 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.859 -1.141 12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.502 -0.807 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.009 0.770 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.986 -0.369 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.306 -0.374 10.247 1.00 0.00 H new ATOM 312 N SER A 23 -0.906 -4.690 11.864 1.00 0.00 N ATOM 313 CA SER A 23 -1.946 -5.170 12.766 1.00 0.00 C ATOM 314 C SER A 23 -3.331 -4.946 12.167 1.00 0.00 C ATOM 315 O SER A 23 -3.500 -4.144 11.250 1.00 0.00 O ATOM 316 CB SER A 23 -1.843 -4.463 14.119 1.00 0.00 C ATOM 317 OG SER A 23 -2.463 -5.225 15.141 1.00 0.00 O ATOM 0 H SER A 23 -1.153 -3.846 11.347 1.00 0.00 H new ATOM 0 HA SER A 23 -1.801 -6.241 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.795 -4.299 14.368 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.313 -3.482 14.057 1.00 0.00 H new ATOM 0 HG SER A 23 -2.382 -4.753 15.996 1.00 0.00 H new ATOM 323 N GLY A 24 -4.320 -5.663 12.692 1.00 0.00 N ATOM 324 CA GLY A 24 -5.677 -5.530 12.197 1.00 0.00 C ATOM 325 C GLY A 24 -6.417 -4.373 12.840 1.00 0.00 C ATOM 326 O GLY A 24 -7.559 -4.524 13.276 1.00 0.00 O ATOM 0 H GLY A 24 -4.205 -6.334 13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.654 -5.387 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.222 -6.455 12.385 1.00 0.00 H new ATOM 330 N ARG A 25 -5.766 -3.216 12.899 1.00 0.00 N ATOM 331 CA ARG A 25 -6.369 -2.030 13.496 1.00 0.00 C ATOM 332 C ARG A 25 -6.907 -1.093 12.418 1.00 0.00 C ATOM 333 O ARG A 25 -8.022 -0.584 12.524 1.00 0.00 O ATOM 334 CB ARG A 25 -5.347 -1.294 14.364 1.00 0.00 C ATOM 335 CG ARG A 25 -4.835 -2.119 15.533 1.00 0.00 C ATOM 336 CD ARG A 25 -4.299 -1.233 16.647 1.00 0.00 C ATOM 337 NE ARG A 25 -3.291 -0.294 16.163 1.00 0.00 N ATOM 338 CZ ARG A 25 -2.371 0.264 16.943 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.333 -0.022 18.237 1.00 0.00 N ATOM 340 NH2 ARG A 25 -1.487 1.109 16.428 1.00 0.00 N ATOM 0 H ARG A 25 -4.821 -3.074 12.541 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.201 -2.352 14.122 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.502 -0.996 13.743 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.799 -0.379 14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.640 -2.744 15.919 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.048 -2.790 15.189 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.123 -0.680 17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.867 -1.856 17.430 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.293 -0.053 15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.011 -0.672 18.636 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.626 0.407 18.834 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.513 1.331 15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.781 1.537 17.027 1.00 0.00 H new ATOM 354 N ALA A 26 -6.105 -0.869 11.382 1.00 0.00 N ATOM 355 CA ALA A 26 -6.500 0.005 10.285 1.00 0.00 C ATOM 356 C ALA A 26 -7.868 -0.386 9.737 1.00 0.00 C ATOM 357 O ALA A 26 -8.286 -1.539 9.849 1.00 0.00 O ATOM 358 CB ALA A 26 -5.456 -0.031 9.179 1.00 0.00 C ATOM 0 H ALA A 26 -5.178 -1.281 11.280 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.569 1.022 10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.764 0.627 8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.497 0.304 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.358 -1.050 8.804 1.00 0.00 H new ATOM 364 N SER A 27 -8.562 0.581 9.145 1.00 0.00 N ATOM 365 CA SER A 27 -9.886 0.338 8.583 1.00 0.00 C ATOM 366 C SER A 27 -9.938 0.755 7.117 1.00 0.00 C ATOM 367 O SER A 27 -8.990 1.338 6.590 1.00 0.00 O ATOM 368 CB SER A 27 -10.948 1.097 9.380 1.00 0.00 C ATOM 369 OG SER A 27 -10.728 2.496 9.319 1.00 0.00 O ATOM 0 H SER A 27 -8.230 1.540 9.042 1.00 0.00 H new ATOM 0 HA SER A 27 -10.091 -0.731 8.646 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.938 0.864 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.932 0.768 10.419 1.00 0.00 H new ATOM 0 HG SER A 27 -11.421 2.959 9.835 1.00 0.00 H new ATOM 375 N CYS A 28 -11.054 0.452 6.462 1.00 0.00 N ATOM 376 CA CYS A 28 -11.233 0.794 5.056 1.00 0.00 C ATOM 377 C CYS A 28 -12.310 1.862 4.888 1.00 0.00 C ATOM 378 O CYS A 28 -13.334 1.840 5.572 1.00 0.00 O ATOM 379 CB CYS A 28 -11.605 -0.452 4.249 1.00 0.00 C ATOM 380 SG CYS A 28 -11.891 -0.133 2.479 1.00 0.00 S ATOM 0 H CYS A 28 -11.848 -0.030 6.883 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.290 1.192 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.808 -1.189 4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.504 -0.894 4.678 1.00 0.00 H new ATOM 385 N LYS A 29 -12.072 2.797 3.974 1.00 0.00 N ATOM 386 CA LYS A 29 -13.020 3.873 3.714 1.00 0.00 C ATOM 387 C LYS A 29 -13.749 3.649 2.393 1.00 0.00 C ATOM 388 O LYS A 29 -14.088 4.601 1.690 1.00 0.00 O ATOM 389 CB LYS A 29 -12.298 5.222 3.688 1.00 0.00 C ATOM 390 CG LYS A 29 -11.570 5.547 4.981 1.00 0.00 C ATOM 391 CD LYS A 29 -12.537 5.961 6.076 1.00 0.00 C ATOM 392 CE LYS A 29 -11.823 6.688 7.206 1.00 0.00 C ATOM 393 NZ LYS A 29 -11.286 5.741 8.222 1.00 0.00 N ATOM 0 H LYS A 29 -11.229 2.831 3.400 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.756 3.877 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.581 5.225 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.023 6.009 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.000 4.677 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.854 6.349 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.308 6.607 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.041 5.079 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.007 7.283 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.514 7.382 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.807 6.275 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.068 5.191 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.608 5.095 7.770 1.00 0.00 H new ATOM 407 N LYS A 30 -13.988 2.384 2.062 1.00 0.00 N ATOM 408 CA LYS A 30 -14.680 2.034 0.827 1.00 0.00 C ATOM 409 C LYS A 30 -15.756 0.985 1.085 1.00 0.00 C ATOM 410 O LYS A 30 -16.880 1.099 0.593 1.00 0.00 O ATOM 411 CB LYS A 30 -13.682 1.513 -0.210 1.00 0.00 C ATOM 412 CG LYS A 30 -14.341 0.884 -1.425 1.00 0.00 C ATOM 413 CD LYS A 30 -14.701 1.929 -2.468 1.00 0.00 C ATOM 414 CE LYS A 30 -15.916 1.511 -3.281 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.267 2.523 -4.315 1.00 0.00 N ATOM 0 H LYS A 30 -13.713 1.584 2.632 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.160 2.933 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.047 2.337 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.031 0.777 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.669 0.147 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.241 0.351 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.901 2.881 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.853 2.086 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.719 0.553 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.766 1.363 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.100 2.201 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.480 3.431 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.466 2.646 -4.967 1.00 0.00 H new ATOM 429 N CYS A 31 -15.407 -0.037 1.859 1.00 0.00 N ATOM 430 CA CYS A 31 -16.343 -1.106 2.184 1.00 0.00 C ATOM 431 C CYS A 31 -16.742 -1.053 3.656 1.00 0.00 C ATOM 432 O CYS A 31 -17.704 -1.696 4.073 1.00 0.00 O ATOM 433 CB CYS A 31 -15.726 -2.468 1.860 1.00 0.00 C ATOM 434 SG CYS A 31 -14.300 -2.905 2.907 1.00 0.00 S ATOM 0 H CYS A 31 -14.481 -0.147 2.273 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.239 -0.967 1.579 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.491 -3.237 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.412 -2.474 0.816 1.00 0.00 H new ATOM 439 N SER A 32 -15.994 -0.280 4.437 1.00 0.00 N ATOM 440 CA SER A 32 -16.266 -0.144 5.864 1.00 0.00 C ATOM 441 C SER A 32 -15.967 -1.446 6.600 1.00 0.00 C ATOM 442 O SER A 32 -16.787 -1.935 7.377 1.00 0.00 O ATOM 443 CB SER A 32 -17.725 0.258 6.090 1.00 0.00 C ATOM 444 OG SER A 32 -17.919 0.754 7.403 1.00 0.00 O ATOM 0 H SER A 32 -15.195 0.261 4.106 1.00 0.00 H new ATOM 0 HA SER A 32 -15.615 0.636 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.013 1.019 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.373 -0.603 5.923 1.00 0.00 H new ATOM 0 HG SER A 32 -17.645 0.074 8.053 1.00 0.00 H new ATOM 450 N GLU A 33 -14.785 -2.002 6.350 1.00 0.00 N ATOM 451 CA GLU A 33 -14.377 -3.248 6.988 1.00 0.00 C ATOM 452 C GLU A 33 -13.035 -3.082 7.696 1.00 0.00 C ATOM 453 O GLU A 33 -12.401 -2.031 7.610 1.00 0.00 O ATOM 454 CB GLU A 33 -14.285 -4.371 5.953 1.00 0.00 C ATOM 455 CG GLU A 33 -15.629 -4.776 5.373 1.00 0.00 C ATOM 456 CD GLU A 33 -16.331 -5.830 6.207 1.00 0.00 C ATOM 457 OE1 GLU A 33 -16.246 -5.754 7.451 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.966 -6.729 5.617 1.00 0.00 O ATOM 0 H GLU A 33 -14.094 -1.609 5.711 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.130 -3.510 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.630 -4.053 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.821 -5.242 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.267 -3.896 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.484 -5.155 4.361 1.00 0.00 H new ATOM 465 N SER A 34 -12.609 -4.128 8.397 1.00 0.00 N ATOM 466 CA SER A 34 -11.346 -4.098 9.124 1.00 0.00 C ATOM 467 C SER A 34 -10.250 -4.814 8.339 1.00 0.00 C ATOM 468 O SER A 34 -10.361 -6.004 8.043 1.00 0.00 O ATOM 469 CB SER A 34 -11.509 -4.746 10.500 1.00 0.00 C ATOM 470 OG SER A 34 -12.503 -4.082 11.261 1.00 0.00 O ATOM 0 H SER A 34 -13.120 -5.007 8.477 1.00 0.00 H new ATOM 0 HA SER A 34 -11.055 -3.056 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.778 -5.796 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.559 -4.718 11.034 1.00 0.00 H new ATOM 0 HG SER A 34 -12.590 -4.516 12.135 1.00 0.00 H new ATOM 476 N ILE A 35 -9.194 -4.081 8.006 1.00 0.00 N ATOM 477 CA ILE A 35 -8.078 -4.645 7.257 1.00 0.00 C ATOM 478 C ILE A 35 -7.349 -5.707 8.074 1.00 0.00 C ATOM 479 O ILE A 35 -6.896 -5.462 9.192 1.00 0.00 O ATOM 480 CB ILE A 35 -7.073 -3.556 6.838 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.744 -2.543 5.908 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.863 -4.183 6.163 1.00 0.00 C ATOM 483 CD1 ILE A 35 -6.921 -1.295 5.679 1.00 0.00 C ATOM 0 H ILE A 35 -9.087 -3.095 8.243 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.498 -5.103 6.362 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.734 -3.032 7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.942 -3.019 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.709 -2.260 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.162 -3.400 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.375 -4.869 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.184 -4.730 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.458 -0.622 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.745 -0.795 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.966 -1.566 5.230 1.00 0.00 H new ATOM 495 N PRO A 36 -7.230 -6.914 7.503 1.00 0.00 N ATOM 496 CA PRO A 36 -6.555 -8.038 8.159 1.00 0.00 C ATOM 497 C PRO A 36 -5.047 -7.829 8.259 1.00 0.00 C ATOM 498 O PRO A 36 -4.437 -7.208 7.388 1.00 0.00 O ATOM 499 CB PRO A 36 -6.871 -9.224 7.245 1.00 0.00 C ATOM 500 CG PRO A 36 -7.119 -8.617 5.908 1.00 0.00 C ATOM 501 CD PRO A 36 -7.747 -7.276 6.172 1.00 0.00 C ATOM 0 HA PRO A 36 -6.892 -8.173 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.041 -9.930 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.743 -9.774 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.189 -8.509 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.779 -9.246 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.462 -6.543 5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.835 -7.334 6.166 1.00 0.00 H new ATOM 509 N LYS A 37 -4.452 -8.351 9.325 1.00 0.00 N ATOM 510 CA LYS A 37 -3.015 -8.224 9.539 1.00 0.00 C ATOM 511 C LYS A 37 -2.237 -9.021 8.497 1.00 0.00 C ATOM 512 O LYS A 37 -2.743 -9.998 7.944 1.00 0.00 O ATOM 513 CB LYS A 37 -2.644 -8.703 10.945 1.00 0.00 C ATOM 514 CG LYS A 37 -1.152 -8.654 11.229 1.00 0.00 C ATOM 515 CD LYS A 37 -0.851 -8.982 12.682 1.00 0.00 C ATOM 516 CE LYS A 37 0.621 -9.306 12.886 1.00 0.00 C ATOM 517 NZ LYS A 37 0.993 -10.610 12.270 1.00 0.00 N ATOM 0 H LYS A 37 -4.943 -8.867 10.055 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.749 -7.172 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.166 -8.089 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.997 -9.726 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.634 -9.360 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.768 -7.662 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.130 -8.137 13.312 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.459 -9.830 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.231 -8.513 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.843 -9.332 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.891 -10.942 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.248 -11.310 12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.100 -10.491 11.242 1.00 0.00 H new ATOM 531 N ASP A 38 -1.005 -8.600 8.235 1.00 0.00 N ATOM 532 CA ASP A 38 -0.156 -9.276 7.261 1.00 0.00 C ATOM 533 C ASP A 38 -0.829 -9.320 5.892 1.00 0.00 C ATOM 534 O ASP A 38 -0.795 -10.341 5.206 1.00 0.00 O ATOM 535 CB ASP A 38 0.165 -10.696 7.731 1.00 0.00 C ATOM 536 CG ASP A 38 1.199 -11.376 6.856 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.406 -11.133 7.066 1.00 0.00 O ATOM 538 OD2 ASP A 38 0.802 -12.149 5.959 1.00 0.00 O ATOM 0 H ASP A 38 -0.571 -7.793 8.684 1.00 0.00 H new ATOM 0 HA ASP A 38 0.773 -8.713 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.528 -10.662 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.749 -11.289 7.736 1.00 0.00 H new ATOM 543 N SER A 39 -1.440 -8.206 5.503 1.00 0.00 N ATOM 544 CA SER A 39 -2.125 -8.119 4.218 1.00 0.00 C ATOM 545 C SER A 39 -1.625 -6.921 3.416 1.00 0.00 C ATOM 546 O SER A 39 -1.115 -5.952 3.979 1.00 0.00 O ATOM 547 CB SER A 39 -3.636 -8.012 4.428 1.00 0.00 C ATOM 548 OG SER A 39 -4.003 -6.708 4.842 1.00 0.00 O ATOM 0 H SER A 39 -1.475 -7.351 6.059 1.00 0.00 H new ATOM 0 HA SER A 39 -1.907 -9.027 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.153 -8.262 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.954 -8.738 5.177 1.00 0.00 H new ATOM 0 HG SER A 39 -4.373 -6.745 5.749 1.00 0.00 H new ATOM 554 N LEU A 40 -1.776 -6.994 2.099 1.00 0.00 N ATOM 555 CA LEU A 40 -1.341 -5.916 1.217 1.00 0.00 C ATOM 556 C LEU A 40 -2.421 -4.847 1.092 1.00 0.00 C ATOM 557 O LEU A 40 -3.436 -5.050 0.425 1.00 0.00 O ATOM 558 CB LEU A 40 -0.993 -6.471 -0.165 1.00 0.00 C ATOM 559 CG LEU A 40 -0.443 -5.461 -1.174 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.972 -5.050 -0.800 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.479 -6.040 -2.581 1.00 0.00 C ATOM 0 H LEU A 40 -2.197 -7.789 1.617 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.452 -5.459 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.259 -7.267 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.888 -6.926 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.074 -4.573 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.347 -4.331 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.969 -4.594 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.616 -5.929 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.084 -5.308 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.129 -6.944 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.507 -6.283 -2.848 1.00 0.00 H new ATOM 573 N ARG A 41 -2.195 -3.706 1.735 1.00 0.00 N ATOM 574 CA ARG A 41 -3.148 -2.604 1.694 1.00 0.00 C ATOM 575 C ARG A 41 -2.490 -1.335 1.158 1.00 0.00 C ATOM 576 O ARG A 41 -1.267 -1.200 1.186 1.00 0.00 O ATOM 577 CB ARG A 41 -3.720 -2.344 3.089 1.00 0.00 C ATOM 578 CG ARG A 41 -2.752 -1.635 4.022 1.00 0.00 C ATOM 579 CD ARG A 41 -3.096 -1.890 5.481 1.00 0.00 C ATOM 580 NE ARG A 41 -2.194 -1.185 6.388 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.305 -1.221 7.711 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.275 -1.925 8.278 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.445 -0.553 8.469 1.00 0.00 N ATOM 0 H ARG A 41 -1.360 -3.521 2.291 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.959 -2.884 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.626 -1.745 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.012 -3.294 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.736 -1.976 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.773 -0.563 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.122 -1.574 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.049 -2.960 5.683 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.437 -0.634 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.937 -2.440 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.359 -1.952 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.697 -0.011 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.531 -0.582 9.485 1.00 0.00 H new ATOM 597 N MET A 42 -3.310 -0.410 0.671 1.00 0.00 N ATOM 598 CA MET A 42 -2.807 0.847 0.130 1.00 0.00 C ATOM 599 C MET A 42 -3.193 2.019 1.027 1.00 0.00 C ATOM 600 O MET A 42 -4.084 1.902 1.868 1.00 0.00 O ATOM 601 CB MET A 42 -3.350 1.072 -1.283 1.00 0.00 C ATOM 602 CG MET A 42 -2.450 0.517 -2.375 1.00 0.00 C ATOM 603 SD MET A 42 -1.259 1.730 -2.977 1.00 0.00 S ATOM 604 CE MET A 42 -1.127 1.251 -4.697 1.00 0.00 C ATOM 0 H MET A 42 -4.325 -0.507 0.640 1.00 0.00 H new ATOM 0 HA MET A 42 -1.719 0.786 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.333 0.609 -1.364 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.487 2.141 -1.445 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.915 -0.353 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.064 0.173 -3.207 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.184 2.138 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.174 0.749 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.943 0.574 -4.950 1.00 0.00 H new ATOM 614 N ALA A 43 -2.515 3.147 0.844 1.00 0.00 N ATOM 615 CA ALA A 43 -2.788 4.340 1.636 1.00 0.00 C ATOM 616 C ALA A 43 -2.911 5.573 0.747 1.00 0.00 C ATOM 617 O ALA A 43 -2.319 5.634 -0.330 1.00 0.00 O ATOM 618 CB ALA A 43 -1.697 4.544 2.677 1.00 0.00 C ATOM 0 H ALA A 43 -1.772 3.260 0.154 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.740 4.196 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.914 5.438 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.659 3.679 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.735 4.661 2.178 1.00 0.00 H new ATOM 624 N ILE A 44 -3.684 6.552 1.205 1.00 0.00 N ATOM 625 CA ILE A 44 -3.884 7.783 0.451 1.00 0.00 C ATOM 626 C ILE A 44 -3.854 9.001 1.369 1.00 0.00 C ATOM 627 O ILE A 44 -4.554 9.046 2.380 1.00 0.00 O ATOM 628 CB ILE A 44 -5.220 7.764 -0.314 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.256 6.587 -1.291 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.426 9.079 -1.052 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.644 6.269 -1.802 1.00 0.00 C ATOM 0 H ILE A 44 -4.182 6.516 2.095 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.065 7.850 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.032 7.641 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.607 6.809 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.847 5.704 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.375 9.051 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.439 9.900 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.612 9.229 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.594 5.425 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.292 6.016 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.048 7.137 -2.323 1.00 0.00 H new ATOM 643 N MET A 45 -3.039 9.987 1.008 1.00 0.00 N ATOM 644 CA MET A 45 -2.920 11.207 1.798 1.00 0.00 C ATOM 645 C MET A 45 -4.024 12.197 1.438 1.00 0.00 C ATOM 646 O MET A 45 -3.883 12.987 0.505 1.00 0.00 O ATOM 647 CB MET A 45 -1.550 11.851 1.578 1.00 0.00 C ATOM 648 CG MET A 45 -0.404 11.065 2.194 1.00 0.00 C ATOM 649 SD MET A 45 -0.048 11.567 3.888 1.00 0.00 S ATOM 650 CE MET A 45 -1.311 10.664 4.782 1.00 0.00 C ATOM 0 H MET A 45 -2.452 9.965 0.174 1.00 0.00 H new ATOM 0 HA MET A 45 -3.023 10.941 2.850 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.374 11.955 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.558 12.856 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.647 10.003 2.178 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.490 11.197 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.940 10.406 5.774 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.203 11.284 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.560 9.752 4.239 1.00 0.00 H new ATOM 660 N VAL A 46 -5.123 12.148 2.185 1.00 0.00 N ATOM 661 CA VAL A 46 -6.250 13.041 1.945 1.00 0.00 C ATOM 662 C VAL A 46 -6.447 14.003 3.111 1.00 0.00 C ATOM 663 O VAL A 46 -5.868 13.822 4.182 1.00 0.00 O ATOM 664 CB VAL A 46 -7.553 12.252 1.719 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.499 11.497 0.400 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.806 11.299 2.878 1.00 0.00 C ATOM 0 H VAL A 46 -5.256 11.500 2.961 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.017 13.609 1.044 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.381 12.959 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.428 10.946 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.368 12.204 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.662 10.799 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.731 10.749 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.976 10.597 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.892 11.867 3.804 1.00 0.00 H new ATOM 676 N GLN A 47 -7.268 15.026 2.895 1.00 0.00 N ATOM 677 CA GLN A 47 -7.541 16.017 3.929 1.00 0.00 C ATOM 678 C GLN A 47 -8.870 15.730 4.620 1.00 0.00 C ATOM 679 O GLN A 47 -9.789 15.178 4.016 1.00 0.00 O ATOM 680 CB GLN A 47 -7.559 17.422 3.326 1.00 0.00 C ATOM 681 CG GLN A 47 -7.236 18.519 4.328 1.00 0.00 C ATOM 682 CD GLN A 47 -7.859 19.850 3.958 1.00 0.00 C ATOM 683 OE1 GLN A 47 -8.223 20.079 2.804 1.00 0.00 O ATOM 684 NE2 GLN A 47 -7.984 20.738 4.937 1.00 0.00 N ATOM 0 H GLN A 47 -7.755 15.190 2.014 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.746 15.959 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.841 17.466 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.543 17.612 2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.588 18.219 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.154 18.635 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.669 20.506 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.395 21.652 4.747 1.00 0.00 H new ATOM 693 N SER A 48 -8.965 16.109 5.891 1.00 0.00 N ATOM 694 CA SER A 48 -10.180 15.889 6.666 1.00 0.00 C ATOM 695 C SER A 48 -10.724 17.207 7.209 1.00 0.00 C ATOM 696 O SER A 48 -9.976 18.121 7.556 1.00 0.00 O ATOM 697 CB SER A 48 -9.907 14.923 7.820 1.00 0.00 C ATOM 698 OG SER A 48 -10.935 14.986 8.793 1.00 0.00 O ATOM 0 H SER A 48 -8.215 16.570 6.406 1.00 0.00 H new ATOM 0 HA SER A 48 -10.928 15.451 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.828 13.906 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.950 15.165 8.282 1.00 0.00 H new ATOM 0 HG SER A 48 -10.737 14.358 9.519 1.00 0.00 H new ATOM 704 N PRO A 49 -12.059 17.308 7.286 1.00 0.00 N ATOM 705 CA PRO A 49 -12.734 18.509 7.787 1.00 0.00 C ATOM 706 C PRO A 49 -12.535 18.704 9.286 1.00 0.00 C ATOM 707 O PRO A 49 -12.273 19.814 9.748 1.00 0.00 O ATOM 708 CB PRO A 49 -14.209 18.244 7.473 1.00 0.00 C ATOM 709 CG PRO A 49 -14.325 16.760 7.426 1.00 0.00 C ATOM 710 CD PRO A 49 -13.013 16.258 6.891 1.00 0.00 C ATOM 0 HA PRO A 49 -12.343 19.417 7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.859 18.668 8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.499 18.694 6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.523 16.353 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.151 16.453 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.747 15.292 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.043 16.129 5.809 1.00 0.00 H new ATOM 718 N MET A 50 -12.661 17.617 10.041 1.00 0.00 N ATOM 719 CA MET A 50 -12.493 17.669 11.489 1.00 0.00 C ATOM 720 C MET A 50 -11.015 17.703 11.863 1.00 0.00 C ATOM 721 O MET A 50 -10.609 18.439 12.763 1.00 0.00 O ATOM 722 CB MET A 50 -13.170 16.465 12.146 1.00 0.00 C ATOM 723 CG MET A 50 -14.685 16.578 12.207 1.00 0.00 C ATOM 724 SD MET A 50 -15.248 17.637 13.553 1.00 0.00 S ATOM 725 CE MET A 50 -16.902 18.042 12.996 1.00 0.00 C ATOM 0 H MET A 50 -12.879 16.690 9.674 1.00 0.00 H new ATOM 0 HA MET A 50 -12.963 18.583 11.852 1.00 0.00 H new ATOM 0 HB2 MET A 50 -12.903 15.563 11.595 1.00 0.00 H new ATOM 0 HB3 MET A 50 -12.782 16.347 13.158 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.055 16.972 11.260 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.115 15.584 12.328 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.382 18.694 13.726 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.847 18.552 12.034 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.484 17.127 12.889 1.00 0.00 H new ATOM 735 N PHE A 51 -10.214 16.902 11.168 1.00 0.00 N ATOM 736 CA PHE A 51 -8.781 16.839 11.429 1.00 0.00 C ATOM 737 C PHE A 51 -8.076 18.084 10.898 1.00 0.00 C ATOM 738 O PHE A 51 -6.864 18.237 11.049 1.00 0.00 O ATOM 739 CB PHE A 51 -8.179 15.586 10.790 1.00 0.00 C ATOM 740 CG PHE A 51 -7.023 15.015 11.562 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.221 14.443 12.808 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.740 15.051 11.041 1.00 0.00 C ATOM 743 CE1 PHE A 51 -6.160 13.918 13.521 1.00 0.00 C ATOM 744 CE2 PHE A 51 -4.675 14.527 11.749 1.00 0.00 C ATOM 745 CZ PHE A 51 -4.885 13.959 12.990 1.00 0.00 C ATOM 0 H PHE A 51 -10.533 16.287 10.419 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.635 16.793 12.508 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.955 14.826 10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.848 15.827 9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.216 14.407 13.227 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.570 15.494 10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.327 13.476 14.492 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.679 14.562 11.332 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.054 13.548 13.544 1.00 0.00 H new ATOM 755 N ASP A 52 -8.845 18.970 10.273 1.00 0.00 N ATOM 756 CA ASP A 52 -8.296 20.202 9.719 1.00 0.00 C ATOM 757 C ASP A 52 -6.888 19.974 9.178 1.00 0.00 C ATOM 758 O ASP A 52 -6.044 20.869 9.219 1.00 0.00 O ATOM 759 CB ASP A 52 -8.276 21.300 10.783 1.00 0.00 C ATOM 760 CG ASP A 52 -9.368 21.123 11.819 1.00 0.00 C ATOM 761 OD1 ASP A 52 -10.525 21.492 11.530 1.00 0.00 O ATOM 762 OD2 ASP A 52 -9.066 20.615 12.920 1.00 0.00 O ATOM 0 H ASP A 52 -9.850 18.858 10.138 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.936 20.518 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.306 21.303 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.391 22.271 10.301 1.00 0.00 H new ATOM 767 N GLY A 53 -6.641 18.770 8.673 1.00 0.00 N ATOM 768 CA GLY A 53 -5.333 18.446 8.132 1.00 0.00 C ATOM 769 C GLY A 53 -5.368 17.242 7.211 1.00 0.00 C ATOM 770 O GLY A 53 -6.405 16.928 6.627 1.00 0.00 O ATOM 0 H GLY A 53 -7.323 18.013 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.946 19.306 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.642 18.252 8.952 1.00 0.00 H new ATOM 774 N LYS A 54 -4.231 16.568 7.079 1.00 0.00 N ATOM 775 CA LYS A 54 -4.134 15.392 6.222 1.00 0.00 C ATOM 776 C LYS A 54 -4.044 14.117 7.055 1.00 0.00 C ATOM 777 O LYS A 54 -3.364 14.081 8.081 1.00 0.00 O ATOM 778 CB LYS A 54 -2.914 15.502 5.305 1.00 0.00 C ATOM 779 CG LYS A 54 -3.195 16.232 4.003 1.00 0.00 C ATOM 780 CD LYS A 54 -2.078 16.022 2.994 1.00 0.00 C ATOM 781 CE LYS A 54 -2.291 16.863 1.745 1.00 0.00 C ATOM 782 NZ LYS A 54 -3.242 16.219 0.798 1.00 0.00 N ATOM 0 H LYS A 54 -3.363 16.816 7.555 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.036 15.343 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.116 16.020 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.549 14.500 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.137 15.879 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.313 17.298 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.122 16.280 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.027 14.968 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.670 17.845 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.335 17.022 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.980 16.465 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.205 15.186 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.207 16.555 0.993 1.00 0.00 H new ATOM 796 N VAL A 55 -4.733 13.073 6.607 1.00 0.00 N ATOM 797 CA VAL A 55 -4.728 11.795 7.310 1.00 0.00 C ATOM 798 C VAL A 55 -4.564 10.633 6.337 1.00 0.00 C ATOM 799 O VAL A 55 -5.131 10.622 5.244 1.00 0.00 O ATOM 800 CB VAL A 55 -6.024 11.595 8.118 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.115 12.615 9.243 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.239 11.683 7.207 1.00 0.00 C ATOM 0 H VAL A 55 -5.302 13.086 5.761 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.880 11.813 7.995 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.004 10.600 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.037 12.458 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.261 12.498 9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.112 13.621 8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.146 11.539 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.267 12.663 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.177 10.910 6.441 1.00 0.00 H new ATOM 812 N PRO A 56 -3.771 9.630 6.741 1.00 0.00 N ATOM 813 CA PRO A 56 -3.515 8.443 5.920 1.00 0.00 C ATOM 814 C PRO A 56 -4.744 7.550 5.792 1.00 0.00 C ATOM 815 O PRO A 56 -5.162 6.910 6.758 1.00 0.00 O ATOM 816 CB PRO A 56 -2.404 7.717 6.683 1.00 0.00 C ATOM 817 CG PRO A 56 -2.563 8.161 8.096 1.00 0.00 C ATOM 818 CD PRO A 56 -3.064 9.577 8.032 1.00 0.00 C ATOM 0 HA PRO A 56 -3.247 8.706 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.504 6.635 6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.420 7.979 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.267 7.522 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.615 8.106 8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.729 9.806 8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.245 10.295 8.072 1.00 0.00 H new ATOM 826 N HIS A 57 -5.320 7.511 4.595 1.00 0.00 N ATOM 827 CA HIS A 57 -6.502 6.695 4.341 1.00 0.00 C ATOM 828 C HIS A 57 -6.110 5.335 3.771 1.00 0.00 C ATOM 829 O HIS A 57 -5.589 5.244 2.659 1.00 0.00 O ATOM 830 CB HIS A 57 -7.445 7.413 3.375 1.00 0.00 C ATOM 831 CG HIS A 57 -8.280 8.471 4.029 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.500 8.880 3.535 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.063 9.204 5.146 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.998 9.820 4.318 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.146 10.035 5.304 1.00 0.00 N ATOM 0 H HIS A 57 -4.988 8.035 3.785 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.016 6.538 5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.858 7.867 2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.103 6.679 2.909 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.949 8.514 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.200 9.147 5.792 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.941 10.327 4.176 1.00 0.00 H new ATOM 843 N TRP A 58 -6.365 4.282 4.539 1.00 0.00 N ATOM 844 CA TRP A 58 -6.038 2.927 4.110 1.00 0.00 C ATOM 845 C TRP A 58 -7.170 2.329 3.283 1.00 0.00 C ATOM 846 O TRP A 58 -8.347 2.552 3.571 1.00 0.00 O ATOM 847 CB TRP A 58 -5.754 2.040 5.324 1.00 0.00 C ATOM 848 CG TRP A 58 -4.662 2.569 6.204 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.812 3.244 7.381 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.252 2.467 5.974 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.581 3.569 7.898 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.608 3.102 7.054 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.472 1.900 4.963 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.221 3.186 7.148 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.096 1.984 5.058 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.482 2.622 6.144 1.00 0.00 C ATOM 0 H TRP A 58 -6.797 4.340 5.461 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.145 2.976 3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.666 1.937 5.911 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.482 1.042 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.759 3.487 7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.418 4.075 8.768 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.936 1.405 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.746 3.679 7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.483 1.550 4.282 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.596 2.670 6.189 1.00 0.00 H new ATOM 867 N TYR A 59 -6.809 1.570 2.254 1.00 0.00 N ATOM 868 CA TYR A 59 -7.796 0.943 1.384 1.00 0.00 C ATOM 869 C TYR A 59 -7.361 -0.466 0.993 1.00 0.00 C ATOM 870 O TYR A 59 -6.180 -0.720 0.755 1.00 0.00 O ATOM 871 CB TYR A 59 -8.010 1.789 0.127 1.00 0.00 C ATOM 872 CG TYR A 59 -8.817 3.043 0.372 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.205 3.003 0.415 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.192 4.270 0.561 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.947 4.147 0.638 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.925 5.419 0.786 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.302 5.352 0.823 1.00 0.00 C ATOM 878 OH TYR A 59 -11.038 6.494 1.047 1.00 0.00 O ATOM 0 H TYR A 59 -5.840 1.374 2.002 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.735 0.875 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.039 2.066 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.514 1.184 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.713 2.061 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.114 4.326 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.025 4.098 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.423 6.364 0.932 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.433 7.257 1.158 1.00 0.00 H new ATOM 888 N HIS A 60 -8.324 -1.380 0.930 1.00 0.00 N ATOM 889 CA HIS A 60 -8.043 -2.765 0.568 1.00 0.00 C ATOM 890 C HIS A 60 -7.432 -2.847 -0.828 1.00 0.00 C ATOM 891 O HIS A 60 -7.745 -2.040 -1.703 1.00 0.00 O ATOM 892 CB HIS A 60 -9.322 -3.600 0.628 1.00 0.00 C ATOM 893 CG HIS A 60 -9.720 -3.986 2.019 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.869 -3.525 2.627 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.117 -4.795 2.920 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.954 -4.033 3.844 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.903 -4.808 4.046 1.00 0.00 N ATOM 0 H HIS A 60 -9.306 -1.187 1.125 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.325 -3.164 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.135 -3.038 0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.184 -4.504 0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.190 -5.331 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.747 -3.847 4.553 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.707 -5.331 4.900 1.00 0.00 H new ATOM 905 N PHE A 61 -6.557 -3.828 -1.029 1.00 0.00 N ATOM 906 CA PHE A 61 -5.901 -4.014 -2.318 1.00 0.00 C ATOM 907 C PHE A 61 -6.893 -3.838 -3.464 1.00 0.00 C ATOM 908 O PHE A 61 -6.544 -3.329 -4.528 1.00 0.00 O ATOM 909 CB PHE A 61 -5.260 -5.402 -2.391 1.00 0.00 C ATOM 910 CG PHE A 61 -4.450 -5.623 -3.636 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.355 -4.822 -3.917 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.783 -6.631 -4.526 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.606 -5.023 -5.061 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.039 -6.837 -5.672 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.949 -6.031 -5.941 1.00 0.00 C ATOM 0 H PHE A 61 -6.286 -4.505 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.124 -3.256 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.620 -5.544 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.043 -6.158 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.083 -4.031 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.634 -7.263 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.753 -4.393 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.309 -7.627 -6.357 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.367 -6.189 -6.837 1.00 0.00 H new ATOM 925 N SER A 62 -8.131 -4.265 -3.237 1.00 0.00 N ATOM 926 CA SER A 62 -9.174 -4.159 -4.251 1.00 0.00 C ATOM 927 C SER A 62 -9.921 -2.834 -4.126 1.00 0.00 C ATOM 928 O SER A 62 -10.038 -2.081 -5.093 1.00 0.00 O ATOM 929 CB SER A 62 -10.156 -5.325 -4.127 1.00 0.00 C ATOM 930 OG SER A 62 -9.526 -6.557 -4.433 1.00 0.00 O ATOM 0 H SER A 62 -8.436 -4.687 -2.360 1.00 0.00 H new ATOM 0 HA SER A 62 -8.698 -4.197 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.558 -5.360 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.999 -5.167 -4.799 1.00 0.00 H new ATOM 0 HG SER A 62 -10.174 -7.287 -4.345 1.00 0.00 H new ATOM 936 N CYS A 63 -10.425 -2.557 -2.928 1.00 0.00 N ATOM 937 CA CYS A 63 -11.161 -1.325 -2.674 1.00 0.00 C ATOM 938 C CYS A 63 -10.408 -0.118 -3.225 1.00 0.00 C ATOM 939 O CYS A 63 -10.955 0.668 -4.000 1.00 0.00 O ATOM 940 CB CYS A 63 -11.400 -1.150 -1.173 1.00 0.00 C ATOM 941 SG CYS A 63 -12.555 -2.363 -0.457 1.00 0.00 S ATOM 0 H CYS A 63 -10.337 -3.170 -2.117 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.123 -1.394 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.445 -1.223 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.785 -0.147 -0.992 1.00 0.00 H new ATOM 946 N PHE A 64 -9.150 0.023 -2.821 1.00 0.00 N ATOM 947 CA PHE A 64 -8.322 1.134 -3.273 1.00 0.00 C ATOM 948 C PHE A 64 -8.555 1.419 -4.754 1.00 0.00 C ATOM 949 O PHE A 64 -8.493 2.568 -5.193 1.00 0.00 O ATOM 950 CB PHE A 64 -6.843 0.828 -3.028 1.00 0.00 C ATOM 951 CG PHE A 64 -5.914 1.856 -3.609 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.705 3.064 -2.963 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.250 1.615 -4.801 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.851 4.012 -3.494 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.394 2.558 -5.336 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.195 3.759 -4.683 1.00 0.00 C ATOM 0 H PHE A 64 -8.682 -0.619 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.603 2.019 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.668 0.757 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.606 -0.147 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.216 3.267 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.403 0.679 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.697 4.949 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.880 2.356 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.528 4.498 -5.101 1.00 0.00 H new ATOM 966 N TRP A 65 -8.823 0.367 -5.518 1.00 0.00 N ATOM 967 CA TRP A 65 -9.066 0.503 -6.950 1.00 0.00 C ATOM 968 C TRP A 65 -10.539 0.781 -7.228 1.00 0.00 C ATOM 969 O TRP A 65 -10.880 1.470 -8.190 1.00 0.00 O ATOM 970 CB TRP A 65 -8.625 -0.764 -7.685 1.00 0.00 C ATOM 971 CG TRP A 65 -7.197 -1.136 -7.423 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.740 -2.308 -6.893 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.041 -0.331 -7.679 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.369 -2.281 -6.803 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.916 -1.079 -7.279 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.846 0.948 -8.208 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.618 -0.588 -7.392 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.557 1.434 -8.319 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.457 0.667 -7.913 1.00 0.00 C ATOM 0 H TRP A 65 -8.878 -0.590 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.482 1.348 -7.314 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.269 -1.591 -7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.765 -0.621 -8.756 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.364 -3.135 -6.589 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.784 -3.034 -6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.688 1.546 -8.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.768 -1.177 -7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.395 2.421 -8.725 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.462 1.075 -8.013 1.00 0.00 H new ATOM 990 N LYS A 66 -11.409 0.241 -6.382 1.00 0.00 N ATOM 991 CA LYS A 66 -12.846 0.432 -6.536 1.00 0.00 C ATOM 992 C LYS A 66 -13.187 1.912 -6.673 1.00 0.00 C ATOM 993 O LYS A 66 -13.874 2.317 -7.611 1.00 0.00 O ATOM 994 CB LYS A 66 -13.592 -0.165 -5.340 1.00 0.00 C ATOM 995 CG LYS A 66 -13.459 -1.674 -5.232 1.00 0.00 C ATOM 996 CD LYS A 66 -14.329 -2.385 -6.254 1.00 0.00 C ATOM 997 CE LYS A 66 -14.663 -3.802 -5.813 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.119 -4.645 -6.953 1.00 0.00 N ATOM 0 H LYS A 66 -11.144 -0.333 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.159 -0.081 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.217 0.291 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.648 0.094 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.417 -1.960 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.740 -1.994 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.251 -1.822 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.814 -2.414 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.785 -4.256 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.441 -3.771 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.337 -5.603 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.972 -4.226 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.367 -4.696 -7.670 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.700 2.717 -5.733 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.951 4.153 -5.751 1.00 0.00 C ATOM 1014 C VAL A 67 -12.559 4.762 -7.093 1.00 0.00 C ATOM 1015 O VAL A 67 -13.303 5.555 -7.667 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.179 4.871 -4.628 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.826 4.601 -3.278 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.720 4.442 -4.625 1.00 0.00 C ATOM 0 H VAL A 67 -12.129 2.398 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.021 4.290 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.217 5.944 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.267 5.116 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.854 4.964 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.822 3.529 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.190 4.959 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.658 3.366 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.265 4.693 -5.583 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.383 4.385 -7.587 1.00 0.00 N ATOM 1029 CA GLY A 68 -10.912 4.904 -8.858 1.00 0.00 C ATOM 1030 C GLY A 68 -9.595 5.642 -8.730 1.00 0.00 C ATOM 1031 O GLY A 68 -9.439 6.745 -9.255 1.00 0.00 O ATOM 0 H GLY A 68 -10.749 3.730 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.797 4.081 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.663 5.576 -9.273 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.643 5.034 -8.030 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.331 5.641 -7.834 1.00 0.00 C ATOM 1037 C HIS A 69 -6.270 4.920 -8.659 1.00 0.00 C ATOM 1038 O HIS A 69 -5.212 4.556 -8.145 1.00 0.00 O ATOM 1039 CB HIS A 69 -6.949 5.613 -6.353 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.541 6.738 -5.561 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.369 8.065 -5.893 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.308 6.728 -4.446 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -8.003 8.822 -5.016 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.581 8.035 -4.127 1.00 0.00 N ATOM 0 H HIS A 69 -8.755 4.121 -7.589 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.384 6.677 -8.169 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.272 4.666 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.863 5.650 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.643 5.854 -3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.042 9.901 -5.024 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.139 8.347 -3.333 1.00 0.00 H new ATOM 1052 N SER A 70 -6.560 4.716 -9.940 1.00 0.00 N ATOM 1053 CA SER A 70 -5.633 4.034 -10.835 1.00 0.00 C ATOM 1054 C SER A 70 -4.231 4.626 -10.719 1.00 0.00 C ATOM 1055 O SER A 70 -4.053 5.729 -10.200 1.00 0.00 O ATOM 1056 CB SER A 70 -6.122 4.131 -12.281 1.00 0.00 C ATOM 1057 OG SER A 70 -7.031 3.087 -12.583 1.00 0.00 O ATOM 0 H SER A 70 -7.430 5.014 -10.381 1.00 0.00 H new ATOM 0 HA SER A 70 -5.591 2.985 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.605 5.095 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.271 4.084 -12.960 1.00 0.00 H new ATOM 0 HG SER A 70 -7.330 3.172 -13.512 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.241 3.886 -11.206 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.856 4.338 -11.159 1.00 0.00 C ATOM 1065 C ILE A 71 -1.070 3.828 -12.362 1.00 0.00 C ATOM 1066 O ILE A 71 -1.121 2.644 -12.693 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.156 3.872 -9.868 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.861 4.455 -8.641 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.310 4.277 -9.886 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.532 3.730 -7.355 1.00 0.00 C ATOM 0 H ILE A 71 -3.372 2.971 -11.638 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.879 5.428 -11.178 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.212 2.785 -9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.585 5.504 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.939 4.423 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.792 3.941 -8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.804 3.819 -10.743 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.387 5.362 -9.960 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.066 4.197 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.833 2.686 -7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.459 3.784 -7.171 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.343 4.731 -13.012 1.00 0.00 N ATOM 1083 CA ARG A 72 0.455 4.373 -14.178 1.00 0.00 C ATOM 1084 C ARG A 72 1.738 3.660 -13.762 1.00 0.00 C ATOM 1085 O ARG A 72 1.985 2.521 -14.159 1.00 0.00 O ATOM 1086 CB ARG A 72 0.794 5.622 -14.994 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.224 5.938 -16.077 1.00 0.00 C ATOM 1088 CD ARG A 72 -1.549 6.388 -15.482 1.00 0.00 C ATOM 1089 NE ARG A 72 -2.409 5.258 -15.142 1.00 0.00 N ATOM 1090 CZ ARG A 72 -3.708 5.214 -15.416 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -4.294 6.233 -16.030 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -4.424 4.150 -15.074 1.00 0.00 N ATOM 0 H ARG A 72 -0.290 5.716 -12.751 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.134 3.693 -14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.872 6.475 -14.320 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.773 5.490 -15.455 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.167 6.719 -16.729 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.383 5.056 -16.697 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.361 6.982 -14.588 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.064 7.035 -16.192 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.989 4.458 -14.668 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.747 7.053 -16.293 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.292 6.197 -16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.977 3.365 -14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.421 4.117 -15.285 1.00 0.00 H new ATOM 1106 N HIS A 73 2.552 4.339 -12.959 1.00 0.00 N ATOM 1107 CA HIS A 73 3.810 3.770 -12.488 1.00 0.00 C ATOM 1108 C HIS A 73 3.889 3.813 -10.965 1.00 0.00 C ATOM 1109 O HIS A 73 4.445 4.739 -10.374 1.00 0.00 O ATOM 1110 CB HIS A 73 4.994 4.526 -13.094 1.00 0.00 C ATOM 1111 CG HIS A 73 4.688 5.955 -13.421 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.239 6.614 -14.499 1.00 0.00 N ATOM 1113 CD2 HIS A 73 3.880 6.851 -12.807 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.785 7.855 -14.533 1.00 0.00 C ATOM 1115 NE2 HIS A 73 3.959 8.024 -13.516 1.00 0.00 N ATOM 0 H HIS A 73 2.363 5.283 -12.621 1.00 0.00 H new ATOM 0 HA HIS A 73 3.852 2.729 -12.807 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.831 4.493 -12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.315 4.015 -14.002 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.284 6.676 -11.924 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.045 8.603 -15.267 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.461 8.886 -13.294 1.00 0.00 H new ATOM 1123 N PRO A 74 3.321 2.788 -10.313 1.00 0.00 N ATOM 1124 CA PRO A 74 3.314 2.686 -8.851 1.00 0.00 C ATOM 1125 C PRO A 74 4.701 2.405 -8.283 1.00 0.00 C ATOM 1126 O PRO A 74 4.909 2.464 -7.071 1.00 0.00 O ATOM 1127 CB PRO A 74 2.377 1.505 -8.582 1.00 0.00 C ATOM 1128 CG PRO A 74 2.443 0.680 -9.821 1.00 0.00 C ATOM 1129 CD PRO A 74 2.642 1.649 -10.954 1.00 0.00 C ATOM 0 HA PRO A 74 2.996 3.616 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.698 0.936 -7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.360 1.843 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.264 -0.035 -9.770 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.527 0.105 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.247 1.217 -11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.693 1.946 -11.400 1.00 0.00 H new ATOM 1137 N ASP A 75 5.646 2.101 -9.165 1.00 0.00 N ATOM 1138 CA ASP A 75 7.015 1.813 -8.752 1.00 0.00 C ATOM 1139 C ASP A 75 7.685 3.061 -8.187 1.00 0.00 C ATOM 1140 O ASP A 75 8.533 2.975 -7.298 1.00 0.00 O ATOM 1141 CB ASP A 75 7.824 1.273 -9.932 1.00 0.00 C ATOM 1142 CG ASP A 75 9.269 0.998 -9.565 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.517 0.558 -8.423 1.00 0.00 O ATOM 1144 OD2 ASP A 75 10.152 1.223 -10.419 1.00 0.00 O ATOM 0 H ASP A 75 5.489 2.047 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 75 6.981 1.055 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.363 0.354 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.790 1.991 -10.751 1.00 0.00 H new ATOM 1149 N VAL A 76 7.302 4.221 -8.710 1.00 0.00 N ATOM 1150 CA VAL A 76 7.866 5.488 -8.259 1.00 0.00 C ATOM 1151 C VAL A 76 6.814 6.339 -7.557 1.00 0.00 C ATOM 1152 O VAL A 76 7.078 6.932 -6.511 1.00 0.00 O ATOM 1153 CB VAL A 76 8.459 6.289 -9.433 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.664 5.567 -10.017 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.402 6.529 -10.501 1.00 0.00 C ATOM 0 H VAL A 76 6.603 4.310 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 76 8.663 5.247 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 76 8.792 7.257 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.070 6.148 -10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.427 5.451 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.360 4.584 -10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.838 7.096 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.037 5.572 -10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.572 7.091 -10.072 1.00 0.00 H new ATOM 1165 N GLU A 77 5.621 6.395 -8.140 1.00 0.00 N ATOM 1166 CA GLU A 77 4.528 7.174 -7.570 1.00 0.00 C ATOM 1167 C GLU A 77 4.123 6.626 -6.205 1.00 0.00 C ATOM 1168 O GLU A 77 3.971 7.377 -5.242 1.00 0.00 O ATOM 1169 CB GLU A 77 3.323 7.170 -8.513 1.00 0.00 C ATOM 1170 CG GLU A 77 3.462 8.127 -9.684 1.00 0.00 C ATOM 1171 CD GLU A 77 2.135 8.432 -10.350 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.446 7.478 -10.766 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.784 9.627 -10.453 1.00 0.00 O ATOM 0 H GLU A 77 5.387 5.910 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 77 4.875 8.199 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.176 6.160 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.429 7.430 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.912 9.057 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.143 7.699 -10.419 1.00 0.00 H new ATOM 1180 N VAL A 78 3.948 5.310 -6.131 1.00 0.00 N ATOM 1181 CA VAL A 78 3.561 4.660 -4.885 1.00 0.00 C ATOM 1182 C VAL A 78 4.785 4.207 -4.097 1.00 0.00 C ATOM 1183 O VAL A 78 5.727 3.649 -4.660 1.00 0.00 O ATOM 1184 CB VAL A 78 2.653 3.443 -5.145 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.216 2.811 -3.832 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.447 3.847 -5.979 1.00 0.00 C ATOM 0 H VAL A 78 4.068 4.674 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 78 3.010 5.398 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 78 3.222 2.701 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.575 1.953 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.094 2.484 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.665 3.543 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.816 2.975 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.875 4.608 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.784 4.248 -6.935 1.00 0.00 H new ATOM 1196 N ASP A 79 4.765 4.451 -2.791 1.00 0.00 N ATOM 1197 CA ASP A 79 5.873 4.067 -1.925 1.00 0.00 C ATOM 1198 C ASP A 79 5.734 2.616 -1.475 1.00 0.00 C ATOM 1199 O ASP A 79 4.680 2.004 -1.637 1.00 0.00 O ATOM 1200 CB ASP A 79 5.937 4.988 -0.705 1.00 0.00 C ATOM 1201 CG ASP A 79 7.337 5.092 -0.131 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.308 4.956 -0.905 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.461 5.310 1.092 1.00 0.00 O ATOM 0 H ASP A 79 3.994 4.913 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 79 6.797 4.165 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.587 5.982 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.259 4.616 0.063 1.00 0.00 H new ATOM 1208 N GLY A 80 6.808 2.071 -0.911 1.00 0.00 N ATOM 1209 CA GLY A 80 6.785 0.696 -0.448 1.00 0.00 C ATOM 1210 C GLY A 80 7.007 -0.297 -1.571 1.00 0.00 C ATOM 1211 O GLY A 80 7.665 -1.321 -1.383 1.00 0.00 O ATOM 0 H GLY A 80 7.693 2.557 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.554 0.559 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.826 0.492 0.029 1.00 0.00 H new ATOM 1215 N PHE A 81 6.456 0.003 -2.742 1.00 0.00 N ATOM 1216 CA PHE A 81 6.595 -0.873 -3.900 1.00 0.00 C ATOM 1217 C PHE A 81 7.964 -1.548 -3.910 1.00 0.00 C ATOM 1218 O PHE A 81 8.064 -2.771 -3.997 1.00 0.00 O ATOM 1219 CB PHE A 81 6.396 -0.080 -5.193 1.00 0.00 C ATOM 1220 CG PHE A 81 6.267 -0.946 -6.413 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.058 -1.543 -6.731 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.356 -1.162 -7.243 1.00 0.00 C ATOM 1223 CE1 PHE A 81 4.938 -2.341 -7.853 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.241 -1.959 -8.367 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.030 -2.548 -8.673 1.00 0.00 C ATOM 0 H PHE A 81 5.909 0.846 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 81 5.829 -1.645 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.502 0.536 -5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.238 0.599 -5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.200 -1.383 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.305 -0.703 -7.009 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.990 -2.803 -8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.097 -2.121 -9.005 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.937 -3.169 -9.552 1.00 0.00 H new ATOM 1235 N SER A 82 9.016 -0.740 -3.821 1.00 0.00 N ATOM 1236 CA SER A 82 10.379 -1.257 -3.824 1.00 0.00 C ATOM 1237 C SER A 82 10.580 -2.266 -2.697 1.00 0.00 C ATOM 1238 O SER A 82 11.172 -3.326 -2.898 1.00 0.00 O ATOM 1239 CB SER A 82 11.383 -0.111 -3.683 1.00 0.00 C ATOM 1240 OG SER A 82 12.623 -0.442 -4.283 1.00 0.00 O ATOM 0 H SER A 82 8.950 0.275 -3.746 1.00 0.00 H new ATOM 0 HA SER A 82 10.547 -1.762 -4.775 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.980 0.789 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.535 0.115 -2.628 1.00 0.00 H new ATOM 0 HG SER A 82 13.246 0.307 -4.181 1.00 0.00 H new ATOM 1246 N GLU A 83 10.082 -1.927 -1.512 1.00 0.00 N ATOM 1247 CA GLU A 83 10.208 -2.803 -0.353 1.00 0.00 C ATOM 1248 C GLU A 83 9.491 -4.128 -0.592 1.00 0.00 C ATOM 1249 O GLU A 83 9.964 -5.187 -0.175 1.00 0.00 O ATOM 1250 CB GLU A 83 9.639 -2.120 0.893 1.00 0.00 C ATOM 1251 CG GLU A 83 10.560 -1.066 1.484 1.00 0.00 C ATOM 1252 CD GLU A 83 12.027 -1.389 1.274 1.00 0.00 C ATOM 1253 OE1 GLU A 83 12.476 -2.448 1.760 1.00 0.00 O ATOM 1254 OE2 GLU A 83 12.725 -0.583 0.624 1.00 0.00 O ATOM 0 H GLU A 83 9.588 -1.053 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 83 11.267 -3.007 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.686 -1.656 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.434 -2.877 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.336 -0.099 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.362 -0.973 2.552 1.00 0.00 H new ATOM 1261 N LEU A 84 8.348 -4.063 -1.265 1.00 0.00 N ATOM 1262 CA LEU A 84 7.564 -5.257 -1.560 1.00 0.00 C ATOM 1263 C LEU A 84 8.398 -6.280 -2.325 1.00 0.00 C ATOM 1264 O LEU A 84 9.410 -5.938 -2.936 1.00 0.00 O ATOM 1265 CB LEU A 84 6.320 -4.888 -2.370 1.00 0.00 C ATOM 1266 CG LEU A 84 5.319 -3.962 -1.679 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.177 -3.612 -2.620 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.786 -4.608 -0.408 1.00 0.00 C ATOM 0 H LEU A 84 7.943 -3.196 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 84 7.255 -5.701 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.642 -4.414 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.804 -5.808 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 84 5.833 -3.040 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.475 -2.952 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.573 -3.108 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.663 -4.524 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.075 -3.935 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.288 -5.545 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.613 -4.807 0.273 1.00 0.00 H new ATOM 1280 N ARG A 85 7.964 -7.536 -2.288 1.00 0.00 N ATOM 1281 CA ARG A 85 8.670 -8.609 -2.978 1.00 0.00 C ATOM 1282 C ARG A 85 8.411 -8.551 -4.481 1.00 0.00 C ATOM 1283 O ARG A 85 7.451 -7.926 -4.932 1.00 0.00 O ATOM 1284 CB ARG A 85 8.238 -9.969 -2.427 1.00 0.00 C ATOM 1285 CG ARG A 85 8.717 -10.232 -1.009 1.00 0.00 C ATOM 1286 CD ARG A 85 8.759 -11.720 -0.702 1.00 0.00 C ATOM 1287 NE ARG A 85 9.931 -12.367 -1.286 1.00 0.00 N ATOM 1288 CZ ARG A 85 9.993 -13.664 -1.563 1.00 0.00 C ATOM 1289 NH1 ARG A 85 8.956 -14.450 -1.309 1.00 0.00 N ATOM 1290 NH2 ARG A 85 11.095 -14.179 -2.094 1.00 0.00 N ATOM 0 H ARG A 85 7.127 -7.835 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 85 9.738 -8.478 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.150 -10.032 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.618 -10.754 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.710 -9.803 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.055 -9.732 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.764 -11.867 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.855 -12.195 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 85 10.747 -11.791 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.108 -14.059 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.007 -15.446 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.896 -13.578 -2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.141 -15.176 -2.306 1.00 0.00 H new ATOM 1304 N TRP A 86 9.273 -9.206 -5.250 1.00 0.00 N ATOM 1305 CA TRP A 86 9.138 -9.229 -6.702 1.00 0.00 C ATOM 1306 C TRP A 86 7.712 -9.581 -7.110 1.00 0.00 C ATOM 1307 O TRP A 86 7.084 -8.863 -7.888 1.00 0.00 O ATOM 1308 CB TRP A 86 10.119 -10.232 -7.311 1.00 0.00 C ATOM 1309 CG TRP A 86 9.986 -10.366 -8.797 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.656 -9.650 -9.748 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.128 -11.270 -9.503 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.266 -10.054 -11.002 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.331 -11.047 -10.879 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.211 -12.246 -9.107 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.648 -11.765 -11.857 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.534 -12.958 -10.079 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.755 -12.715 -11.441 1.00 0.00 C ATOM 0 H TRP A 86 10.073 -9.728 -4.892 1.00 0.00 H new ATOM 0 HA TRP A 86 9.368 -8.233 -7.079 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.137 -9.925 -7.071 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.963 -11.207 -6.850 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.385 -8.880 -9.544 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.616 -9.676 -11.882 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.034 -12.441 -8.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 8.817 -11.579 -12.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.822 -13.715 -9.784 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.210 -13.288 -12.177 1.00 0.00 H new ATOM 1328 N ASP A 87 7.207 -10.690 -6.582 1.00 0.00 N ATOM 1329 CA ASP A 87 5.854 -11.137 -6.891 1.00 0.00 C ATOM 1330 C ASP A 87 4.859 -9.988 -6.760 1.00 0.00 C ATOM 1331 O ASP A 87 4.225 -9.588 -7.737 1.00 0.00 O ATOM 1332 CB ASP A 87 5.449 -12.286 -5.966 1.00 0.00 C ATOM 1333 CG ASP A 87 4.120 -12.902 -6.355 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.098 -13.719 -7.300 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.100 -12.567 -5.716 1.00 0.00 O ATOM 0 H ASP A 87 7.714 -11.296 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 87 5.841 -11.490 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.222 -13.054 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.390 -11.920 -4.941 1.00 0.00 H new ATOM 1340 N ASP A 88 4.726 -9.463 -5.547 1.00 0.00 N ATOM 1341 CA ASP A 88 3.808 -8.360 -5.288 1.00 0.00 C ATOM 1342 C ASP A 88 4.043 -7.215 -6.270 1.00 0.00 C ATOM 1343 O ASP A 88 3.155 -6.858 -7.044 1.00 0.00 O ATOM 1344 CB ASP A 88 3.972 -7.858 -3.853 1.00 0.00 C ATOM 1345 CG ASP A 88 3.074 -8.594 -2.877 1.00 0.00 C ATOM 1346 OD1 ASP A 88 1.856 -8.681 -3.140 1.00 0.00 O ATOM 1347 OD2 ASP A 88 3.590 -9.083 -1.851 1.00 0.00 O ATOM 0 H ASP A 88 5.242 -9.783 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 88 2.791 -8.728 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.011 -7.976 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.748 -6.792 -3.816 1.00 0.00 H new ATOM 1352 N GLN A 89 5.243 -6.646 -6.230 1.00 0.00 N ATOM 1353 CA GLN A 89 5.593 -5.541 -7.115 1.00 0.00 C ATOM 1354 C GLN A 89 4.937 -5.709 -8.481 1.00 0.00 C ATOM 1355 O GLN A 89 4.333 -4.775 -9.009 1.00 0.00 O ATOM 1356 CB GLN A 89 7.111 -5.447 -7.273 1.00 0.00 C ATOM 1357 CG GLN A 89 7.826 -4.972 -6.018 1.00 0.00 C ATOM 1358 CD GLN A 89 9.313 -4.774 -6.232 1.00 0.00 C ATOM 1359 OE1 GLN A 89 10.067 -5.738 -6.370 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.745 -3.518 -6.263 1.00 0.00 N ATOM 0 H GLN A 89 5.989 -6.931 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 89 5.224 -4.619 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.500 -6.426 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.341 -4.765 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.383 -4.033 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.671 -5.698 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.086 -2.749 -6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.736 -3.323 -6.406 1.00 0.00 H new ATOM 1369 N GLN A 90 5.061 -6.904 -9.049 1.00 0.00 N ATOM 1370 CA GLN A 90 4.481 -7.194 -10.355 1.00 0.00 C ATOM 1371 C GLN A 90 2.957 -7.163 -10.293 1.00 0.00 C ATOM 1372 O GLN A 90 2.307 -6.464 -11.070 1.00 0.00 O ATOM 1373 CB GLN A 90 4.955 -8.559 -10.856 1.00 0.00 C ATOM 1374 CG GLN A 90 6.461 -8.647 -11.048 1.00 0.00 C ATOM 1375 CD GLN A 90 6.967 -7.715 -12.130 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.805 -6.848 -11.878 1.00 0.00 O ATOM 1377 NE2 GLN A 90 6.461 -7.888 -13.346 1.00 0.00 N ATOM 0 H GLN A 90 5.558 -7.687 -8.625 1.00 0.00 H new ATOM 0 HA GLN A 90 4.814 -6.424 -11.051 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.642 -9.326 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.463 -8.780 -11.803 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.958 -8.409 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.732 -9.672 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.769 -8.619 -13.511 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.765 -7.290 -14.115 1.00 0.00 H new ATOM 1386 N LYS A 91 2.393 -7.926 -9.363 1.00 0.00 N ATOM 1387 CA LYS A 91 0.946 -7.986 -9.197 1.00 0.00 C ATOM 1388 C LYS A 91 0.340 -6.586 -9.183 1.00 0.00 C ATOM 1389 O LYS A 91 -0.450 -6.232 -10.059 1.00 0.00 O ATOM 1390 CB LYS A 91 0.590 -8.720 -7.902 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.899 -8.740 -7.603 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.168 -8.776 -6.108 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.254 -10.205 -5.592 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.605 -10.792 -5.810 1.00 0.00 N ATOM 0 H LYS A 91 2.917 -8.512 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 91 0.532 -8.533 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.953 -9.746 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.113 -8.247 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.370 -7.858 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.354 -9.610 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.375 -8.245 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.100 -8.253 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.506 -10.818 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.018 -10.222 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.623 -11.766 -5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.316 -10.221 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.820 -10.799 -6.827 1.00 0.00 H new ATOM 1408 N VAL A 92 0.717 -5.793 -8.185 1.00 0.00 N ATOM 1409 CA VAL A 92 0.214 -4.431 -8.060 1.00 0.00 C ATOM 1410 C VAL A 92 0.025 -3.786 -9.428 1.00 0.00 C ATOM 1411 O VAL A 92 -1.060 -3.306 -9.757 1.00 0.00 O ATOM 1412 CB VAL A 92 1.163 -3.557 -7.219 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.681 -2.114 -7.196 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.286 -4.110 -5.807 1.00 0.00 C ATOM 0 H VAL A 92 1.369 -6.071 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.751 -4.496 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 92 2.151 -3.577 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.364 -1.512 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.651 -1.724 -8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.317 -2.071 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.960 -3.480 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.304 -4.122 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.682 -5.125 -5.847 1.00 0.00 H new ATOM 1424 N LYS A 93 1.089 -3.779 -10.224 1.00 0.00 N ATOM 1425 CA LYS A 93 1.042 -3.195 -11.559 1.00 0.00 C ATOM 1426 C LYS A 93 -0.124 -3.764 -12.361 1.00 0.00 C ATOM 1427 O LYS A 93 -0.946 -3.019 -12.897 1.00 0.00 O ATOM 1428 CB LYS A 93 2.357 -3.453 -12.298 1.00 0.00 C ATOM 1429 CG LYS A 93 3.559 -2.787 -11.652 1.00 0.00 C ATOM 1430 CD LYS A 93 4.864 -3.372 -12.164 1.00 0.00 C ATOM 1431 CE LYS A 93 5.149 -2.933 -13.592 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.469 -3.429 -14.072 1.00 0.00 N ATOM 0 H LYS A 93 1.995 -4.171 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 93 0.897 -2.120 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.531 -4.528 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.263 -3.097 -13.324 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.535 -1.716 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.505 -2.908 -10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.683 -3.060 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.819 -4.460 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.362 -3.302 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.128 -1.845 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.626 -3.109 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.223 -3.057 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.481 -4.469 -14.042 1.00 0.00 H new ATOM 1446 N LYS A 94 -0.192 -5.089 -12.439 1.00 0.00 N ATOM 1447 CA LYS A 94 -1.259 -5.759 -13.173 1.00 0.00 C ATOM 1448 C LYS A 94 -2.608 -5.104 -12.891 1.00 0.00 C ATOM 1449 O LYS A 94 -3.323 -4.709 -13.813 1.00 0.00 O ATOM 1450 CB LYS A 94 -1.312 -7.241 -12.797 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.003 -7.975 -13.033 1.00 0.00 C ATOM 1452 CD LYS A 94 0.239 -8.224 -14.512 1.00 0.00 C ATOM 1453 CE LYS A 94 1.360 -9.228 -14.732 1.00 0.00 C ATOM 1454 NZ LYS A 94 1.260 -9.887 -16.064 1.00 0.00 N ATOM 0 H LYS A 94 0.480 -5.720 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.046 -5.668 -14.238 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.585 -7.331 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.100 -7.726 -13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.821 -7.392 -12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.017 -8.926 -12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.677 -8.592 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.489 -7.284 -15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.322 -8.723 -14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.328 -9.985 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.042 -10.564 -16.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.353 -10.391 -16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.316 -9.167 -16.813 1.00 0.00 H new ATOM 1468 N THR A 95 -2.950 -4.990 -11.612 1.00 0.00 N ATOM 1469 CA THR A 95 -4.212 -4.383 -11.209 1.00 0.00 C ATOM 1470 C THR A 95 -4.270 -2.915 -11.616 1.00 0.00 C ATOM 1471 O THR A 95 -5.263 -2.457 -12.181 1.00 0.00 O ATOM 1472 CB THR A 95 -4.427 -4.491 -9.687 1.00 0.00 C ATOM 1473 OG1 THR A 95 -4.278 -5.852 -9.267 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.807 -3.982 -9.298 1.00 0.00 C ATOM 0 H THR A 95 -2.370 -5.310 -10.837 1.00 0.00 H new ATOM 0 HA THR A 95 -5.004 -4.931 -11.720 1.00 0.00 H new ATOM 0 HB THR A 95 -3.677 -3.874 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.898 -5.876 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.936 -4.068 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.906 -2.937 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.569 -4.575 -9.803 1.00 0.00 H new ATOM 1482 N ALA A 96 -3.200 -2.182 -11.325 1.00 0.00 N ATOM 1483 CA ALA A 96 -3.130 -0.766 -11.663 1.00 0.00 C ATOM 1484 C ALA A 96 -3.485 -0.533 -13.128 1.00 0.00 C ATOM 1485 O ALA A 96 -4.297 0.334 -13.449 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.742 -0.220 -11.361 1.00 0.00 C ATOM 0 H ALA A 96 -2.370 -2.545 -10.856 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.859 -0.235 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.704 0.839 -11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.525 -0.344 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.002 -0.763 -11.948 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.870 -1.313 -14.012 1.00 0.00 N ATOM 1493 CA GLU A 97 -3.121 -1.189 -15.443 1.00 0.00 C ATOM 1494 C GLU A 97 -4.592 -1.442 -15.761 1.00 0.00 C ATOM 1495 O GLU A 97 -5.205 -0.708 -16.536 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.243 -2.169 -16.224 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.772 -1.789 -16.240 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.550 -0.329 -16.588 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.154 0.144 -17.573 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.226 0.340 -15.875 1.00 0.00 O ATOM 0 H GLU A 97 -2.195 -2.036 -13.763 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.872 -0.171 -15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.348 -3.163 -15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.605 -2.230 -17.250 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.337 -1.996 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.247 -2.415 -16.962 1.00 0.00 H new ATOM 1507 N ALA A 98 -5.150 -2.486 -15.158 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.549 -2.835 -15.375 1.00 0.00 C ATOM 1509 C ALA A 98 -7.474 -1.727 -14.884 1.00 0.00 C ATOM 1510 O ALA A 98 -8.446 -1.375 -15.552 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.879 -4.148 -14.681 1.00 0.00 C ATOM 0 H ALA A 98 -4.655 -3.105 -14.516 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.706 -2.954 -16.447 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.927 -4.396 -14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.248 -4.941 -15.083 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.699 -4.049 -13.611 1.00 0.00 H new ATOM 1517 N GLY A 99 -7.167 -1.182 -13.711 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.981 -0.120 -13.151 1.00 0.00 C ATOM 1519 C GLY A 99 -9.433 -0.527 -12.988 1.00 0.00 C ATOM 1520 O GLY A 99 -10.269 -0.221 -13.836 1.00 0.00 O ATOM 0 H GLY A 99 -6.369 -1.457 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.577 0.170 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.923 0.757 -13.796 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.732 -1.221 -11.894 1.00 0.00 N ATOM 1525 CA GLY A 100 -11.092 -1.661 -11.644 1.00 0.00 C ATOM 1526 C GLY A 100 -12.098 -0.534 -11.768 1.00 0.00 C ATOM 1527 O GLY A 100 -12.269 0.258 -10.841 1.00 0.00 O ATOM 0 H GLY A 100 -9.057 -1.486 -11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.350 -2.453 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.154 -2.091 -10.644 1.00 0.00 H new ATOM 1531 N SER A 101 -12.764 -0.460 -12.915 1.00 0.00 N ATOM 1532 CA SER A 101 -13.754 0.582 -13.159 1.00 0.00 C ATOM 1533 C SER A 101 -15.159 0.085 -12.829 1.00 0.00 C ATOM 1534 O SER A 101 -15.789 -0.605 -13.629 1.00 0.00 O ATOM 1535 CB SER A 101 -13.693 1.043 -14.616 1.00 0.00 C ATOM 1536 OG SER A 101 -12.391 1.487 -14.957 1.00 0.00 O ATOM 0 H SER A 101 -12.636 -1.110 -13.691 1.00 0.00 H new ATOM 0 HA SER A 101 -13.524 1.426 -12.509 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.984 0.223 -15.272 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.409 1.849 -14.776 1.00 0.00 H new ATOM 0 HG SER A 101 -11.727 0.869 -14.586 1.00 0.00 H new ATOM 1542 N GLY A 102 -15.642 0.441 -11.643 1.00 0.00 N ATOM 1543 CA GLY A 102 -16.968 0.023 -11.227 1.00 0.00 C ATOM 1544 C GLY A 102 -18.017 1.088 -11.476 1.00 0.00 C ATOM 1545 O GLY A 102 -17.703 2.243 -11.767 1.00 0.00 O ATOM 0 H GLY A 102 -15.139 1.011 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.243 -0.886 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.951 -0.225 -10.166 1.00 0.00 H new ATOM 1549 N PRO A 103 -19.297 0.702 -11.363 1.00 0.00 N ATOM 1550 CA PRO A 103 -20.422 1.618 -11.576 1.00 0.00 C ATOM 1551 C PRO A 103 -20.537 2.661 -10.469 1.00 0.00 C ATOM 1552 O PRO A 103 -21.329 3.598 -10.567 1.00 0.00 O ATOM 1553 CB PRO A 103 -21.640 0.692 -11.566 1.00 0.00 C ATOM 1554 CG PRO A 103 -21.215 -0.485 -10.758 1.00 0.00 C ATOM 1555 CD PRO A 103 -19.744 -0.658 -11.020 1.00 0.00 C ATOM 0 HA PRO A 103 -20.313 2.191 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -22.507 1.183 -11.124 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -21.921 0.397 -12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -21.406 -0.320 -9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -21.770 -1.377 -11.046 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -19.222 -1.044 -10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -19.560 -1.359 -11.834 1.00 0.00 H new ATOM 1563 N SER A 104 -19.741 2.493 -9.418 1.00 0.00 N ATOM 1564 CA SER A 104 -19.756 3.418 -8.291 1.00 0.00 C ATOM 1565 C SER A 104 -19.345 4.819 -8.734 1.00 0.00 C ATOM 1566 O SER A 104 -18.317 4.999 -9.387 1.00 0.00 O ATOM 1567 CB SER A 104 -18.821 2.925 -7.186 1.00 0.00 C ATOM 1568 OG SER A 104 -17.481 2.859 -7.643 1.00 0.00 O ATOM 0 H SER A 104 -19.077 1.724 -9.323 1.00 0.00 H new ATOM 0 HA SER A 104 -20.773 3.462 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.883 3.594 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 104 -19.142 1.940 -6.847 1.00 0.00 H new ATOM 0 HG SER A 104 -16.903 2.543 -6.917 1.00 0.00 H new ATOM 1574 N SER A 105 -20.156 5.809 -8.373 1.00 0.00 N ATOM 1575 CA SER A 105 -19.879 7.194 -8.735 1.00 0.00 C ATOM 1576 C SER A 105 -20.189 8.132 -7.572 1.00 0.00 C ATOM 1577 O SER A 105 -21.284 8.102 -7.011 1.00 0.00 O ATOM 1578 CB SER A 105 -20.700 7.596 -9.962 1.00 0.00 C ATOM 1579 OG SER A 105 -20.213 8.799 -10.530 1.00 0.00 O ATOM 0 H SER A 105 -21.010 5.677 -7.830 1.00 0.00 H new ATOM 0 HA SER A 105 -18.818 7.277 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 105 -20.664 6.799 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 105 -21.745 7.721 -9.679 1.00 0.00 H new ATOM 0 HG SER A 105 -20.753 9.033 -11.313 1.00 0.00 H new ATOM 1585 N GLY A 106 -19.216 8.965 -7.216 1.00 0.00 N ATOM 1586 CA GLY A 106 -19.403 9.900 -6.122 1.00 0.00 C ATOM 1587 C GLY A 106 -18.314 9.791 -5.074 1.00 0.00 C ATOM 1588 O GLY A 106 -18.220 8.788 -4.368 1.00 0.00 O ATOM 0 H GLY A 106 -18.302 9.009 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.423 10.916 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -20.371 9.720 -5.655 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.326 -2.335 1.779 1.00 0.00 ZN