USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=28 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 62 SER OG : rot 180:sc= -0.338 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0183) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -4.19! C(o=-4.8!,f=-4.2!) USER MOD Set 2.2: A 59 TYR OH : rot 144:sc= -0.591 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0384 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.504 USER MOD Single : A 3 SER OG : rot 28:sc= 0.284 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 35:sc= 0.541 USER MOD Single : A 14 LYS NZ :NH3+ 127:sc= -0.205 (180deg=-0.858) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -13:sc= 0.0724 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -130:sc= -0.689 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 0.0283 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -101:sc= 1.1 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 167:sc= 0 (180deg=-0.288) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 48 SER OG : rot -162:sc= 0.072 USER MOD Single : A 50 MET CE :methyl -168:sc= 0 (180deg=-0.143) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-1.9) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.87 K(o=-1.9,f=-5!) USER MOD Single : A 90 GLN : amide:sc= -0.0526 K(o=-0.053,f=-1.3) 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 77:sc= 0.614 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -109:sc= 0.534 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.784 6.137 25.028 1.00 0.00 N ATOM 2 CA GLY A 1 -13.659 6.986 24.683 1.00 0.00 C ATOM 3 C GLY A 1 -13.325 6.934 23.205 1.00 0.00 C ATOM 4 O GLY A 1 -13.592 5.936 22.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.597 5.664 25.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.644 6.716 25.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.919 5.421 24.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.884 8.014 24.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.787 6.680 25.260 1.00 0.00 H new ATOM 8 N SER A 2 -12.740 8.012 22.694 1.00 0.00 N ATOM 9 CA SER A 2 -12.374 8.087 21.284 1.00 0.00 C ATOM 10 C SER A 2 -11.224 9.067 21.073 1.00 0.00 C ATOM 11 O SER A 2 -11.252 10.191 21.573 1.00 0.00 O ATOM 12 CB SER A 2 -13.580 8.511 20.445 1.00 0.00 C ATOM 13 OG SER A 2 -14.558 7.486 20.401 1.00 0.00 O ATOM 0 H SER A 2 -12.509 8.846 23.235 1.00 0.00 H new ATOM 0 HA SER A 2 -12.048 7.097 20.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.017 9.417 20.864 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.256 8.752 19.433 1.00 0.00 H new ATOM 0 HG SER A 2 -14.296 6.758 21.002 1.00 0.00 H new ATOM 19 N SER A 3 -10.212 8.631 20.329 1.00 0.00 N ATOM 20 CA SER A 3 -9.049 9.466 20.054 1.00 0.00 C ATOM 21 C SER A 3 -8.105 8.777 19.074 1.00 0.00 C ATOM 22 O SER A 3 -7.712 7.629 19.276 1.00 0.00 O ATOM 23 CB SER A 3 -8.309 9.790 21.353 1.00 0.00 C ATOM 24 OG SER A 3 -7.676 8.636 21.880 1.00 0.00 O ATOM 0 H SER A 3 -10.174 7.704 19.906 1.00 0.00 H new ATOM 0 HA SER A 3 -9.398 10.395 19.602 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.565 10.565 21.168 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.011 10.190 22.085 1.00 0.00 H new ATOM 0 HG SER A 3 -7.461 8.018 21.150 1.00 0.00 H new ATOM 30 N GLY A 4 -7.743 9.488 18.011 1.00 0.00 N ATOM 31 CA GLY A 4 -6.847 8.930 17.015 1.00 0.00 C ATOM 32 C GLY A 4 -5.817 9.932 16.534 1.00 0.00 C ATOM 33 O GLY A 4 -5.837 10.346 15.375 1.00 0.00 O ATOM 0 H GLY A 4 -8.054 10.441 17.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.337 8.063 17.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.430 8.576 16.164 1.00 0.00 H new ATOM 37 N SER A 5 -4.915 10.326 17.428 1.00 0.00 N ATOM 38 CA SER A 5 -3.875 11.291 17.090 1.00 0.00 C ATOM 39 C SER A 5 -2.985 10.761 15.970 1.00 0.00 C ATOM 40 O SER A 5 -3.070 9.591 15.595 1.00 0.00 O ATOM 41 CB SER A 5 -3.027 11.611 18.323 1.00 0.00 C ATOM 42 OG SER A 5 -2.328 12.832 18.158 1.00 0.00 O ATOM 0 H SER A 5 -4.884 9.992 18.391 1.00 0.00 H new ATOM 0 HA SER A 5 -4.359 12.204 16.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.667 11.671 19.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.317 10.803 18.500 1.00 0.00 H new ATOM 0 HG SER A 5 -1.795 13.015 18.960 1.00 0.00 H new ATOM 48 N SER A 6 -2.130 11.630 15.440 1.00 0.00 N ATOM 49 CA SER A 6 -1.226 11.252 14.360 1.00 0.00 C ATOM 50 C SER A 6 0.104 10.754 14.915 1.00 0.00 C ATOM 51 O SER A 6 0.483 11.082 16.039 1.00 0.00 O ATOM 52 CB SER A 6 -0.989 12.440 13.426 1.00 0.00 C ATOM 53 OG SER A 6 -2.130 12.694 12.624 1.00 0.00 O ATOM 0 H SER A 6 -2.044 12.601 15.741 1.00 0.00 H new ATOM 0 HA SER A 6 -1.691 10.443 13.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.749 13.326 14.013 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.129 12.238 12.787 1.00 0.00 H new ATOM 0 HG SER A 6 -1.954 13.459 12.037 1.00 0.00 H new ATOM 59 N GLY A 7 0.811 9.958 14.117 1.00 0.00 N ATOM 60 CA GLY A 7 2.091 9.426 14.545 1.00 0.00 C ATOM 61 C GLY A 7 3.235 9.891 13.665 1.00 0.00 C ATOM 62 O GLY A 7 3.014 10.419 12.576 1.00 0.00 O ATOM 0 H GLY A 7 0.519 9.673 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.282 9.730 15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.050 8.337 14.537 1.00 0.00 H new ATOM 66 N MET A 8 4.461 9.695 14.139 1.00 0.00 N ATOM 67 CA MET A 8 5.644 10.098 13.387 1.00 0.00 C ATOM 68 C MET A 8 5.537 9.661 11.930 1.00 0.00 C ATOM 69 O MET A 8 4.947 8.625 11.625 1.00 0.00 O ATOM 70 CB MET A 8 6.904 9.504 14.019 1.00 0.00 C ATOM 71 CG MET A 8 7.336 10.212 15.293 1.00 0.00 C ATOM 72 SD MET A 8 8.564 9.277 16.225 1.00 0.00 S ATOM 73 CE MET A 8 8.296 9.917 17.876 1.00 0.00 C ATOM 0 H MET A 8 4.661 9.260 15.040 1.00 0.00 H new ATOM 0 HA MET A 8 5.710 11.186 13.418 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.728 8.451 14.240 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.718 9.546 13.295 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.745 11.190 15.040 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.463 10.385 15.922 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.984 9.434 18.570 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.471 10.993 17.882 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.270 9.715 18.183 1.00 0.00 H new ATOM 83 N ALA A 9 6.112 10.456 11.034 1.00 0.00 N ATOM 84 CA ALA A 9 6.082 10.149 9.609 1.00 0.00 C ATOM 85 C ALA A 9 7.425 10.454 8.954 1.00 0.00 C ATOM 86 O ALA A 9 7.965 11.549 9.104 1.00 0.00 O ATOM 87 CB ALA A 9 4.970 10.929 8.924 1.00 0.00 C ATOM 0 H ALA A 9 6.604 11.318 11.270 1.00 0.00 H new ATOM 0 HA ALA A 9 5.885 9.083 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.960 10.690 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.011 10.659 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.142 11.998 9.054 1.00 0.00 H new ATOM 93 N GLU A 10 7.960 9.477 8.228 1.00 0.00 N ATOM 94 CA GLU A 10 9.241 9.641 7.551 1.00 0.00 C ATOM 95 C GLU A 10 9.198 10.822 6.585 1.00 0.00 C ATOM 96 O GLU A 10 8.171 11.093 5.965 1.00 0.00 O ATOM 97 CB GLU A 10 9.612 8.363 6.796 1.00 0.00 C ATOM 98 CG GLU A 10 10.234 7.294 7.679 1.00 0.00 C ATOM 99 CD GLU A 10 9.199 6.380 8.305 1.00 0.00 C ATOM 100 OE1 GLU A 10 8.668 6.733 9.378 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.921 5.311 7.722 1.00 0.00 O ATOM 0 H GLU A 10 7.526 8.564 8.094 1.00 0.00 H new ATOM 0 HA GLU A 10 10.000 9.840 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.717 7.957 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.309 8.613 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.929 6.698 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.815 7.772 8.467 1.00 0.00 H new ATOM 108 N SER A 11 10.323 11.521 6.465 1.00 0.00 N ATOM 109 CA SER A 11 10.413 12.675 5.578 1.00 0.00 C ATOM 110 C SER A 11 10.265 12.253 4.120 1.00 0.00 C ATOM 111 O SER A 11 11.200 11.730 3.515 1.00 0.00 O ATOM 112 CB SER A 11 11.748 13.395 5.779 1.00 0.00 C ATOM 113 OG SER A 11 11.826 13.975 7.069 1.00 0.00 O ATOM 0 H SER A 11 11.183 11.308 6.970 1.00 0.00 H new ATOM 0 HA SER A 11 9.599 13.356 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.569 12.690 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.865 14.170 5.021 1.00 0.00 H new ATOM 0 HG SER A 11 12.689 14.427 7.173 1.00 0.00 H new ATOM 119 N SER A 12 9.081 12.484 3.561 1.00 0.00 N ATOM 120 CA SER A 12 8.807 12.125 2.175 1.00 0.00 C ATOM 121 C SER A 12 7.627 12.924 1.630 1.00 0.00 C ATOM 122 O SER A 12 6.831 13.475 2.391 1.00 0.00 O ATOM 123 CB SER A 12 8.518 10.626 2.061 1.00 0.00 C ATOM 124 OG SER A 12 9.710 9.893 1.838 1.00 0.00 O ATOM 0 H SER A 12 8.296 12.918 4.047 1.00 0.00 H new ATOM 0 HA SER A 12 9.690 12.364 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.037 10.275 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.819 10.448 1.243 1.00 0.00 H new ATOM 0 HG SER A 12 10.450 10.317 2.321 1.00 0.00 H new ATOM 130 N ASP A 13 7.521 12.982 0.307 1.00 0.00 N ATOM 131 CA ASP A 13 6.438 13.712 -0.342 1.00 0.00 C ATOM 132 C ASP A 13 5.700 12.820 -1.336 1.00 0.00 C ATOM 133 O ASP A 13 5.353 13.252 -2.435 1.00 0.00 O ATOM 134 CB ASP A 13 6.985 14.949 -1.057 1.00 0.00 C ATOM 135 CG ASP A 13 5.970 16.073 -1.128 1.00 0.00 C ATOM 136 OD1 ASP A 13 5.596 16.604 -0.061 1.00 0.00 O ATOM 137 OD2 ASP A 13 5.549 16.421 -2.251 1.00 0.00 O ATOM 0 H ASP A 13 8.172 12.532 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 13 5.734 14.028 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.876 15.301 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.291 14.676 -2.067 1.00 0.00 H new ATOM 142 N LYS A 14 5.463 11.574 -0.941 1.00 0.00 N ATOM 143 CA LYS A 14 4.766 10.620 -1.796 1.00 0.00 C ATOM 144 C LYS A 14 3.256 10.823 -1.720 1.00 0.00 C ATOM 145 O LYS A 14 2.752 11.469 -0.800 1.00 0.00 O ATOM 146 CB LYS A 14 5.119 9.187 -1.389 1.00 0.00 C ATOM 147 CG LYS A 14 6.610 8.898 -1.414 1.00 0.00 C ATOM 148 CD LYS A 14 7.045 8.327 -2.753 1.00 0.00 C ATOM 149 CE LYS A 14 7.463 9.425 -3.718 1.00 0.00 C ATOM 150 NZ LYS A 14 8.621 10.206 -3.203 1.00 0.00 N ATOM 0 H LYS A 14 5.743 11.201 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 14 5.087 10.790 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.738 8.999 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.611 8.492 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.163 9.815 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.859 8.194 -0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.876 7.637 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.227 7.751 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.722 8.983 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.621 10.096 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.373 10.226 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.318 11.178 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.982 9.760 -2.336 1.00 0.00 H new ATOM 164 N LEU A 15 2.540 10.269 -2.691 1.00 0.00 N ATOM 165 CA LEU A 15 1.086 10.388 -2.734 1.00 0.00 C ATOM 166 C LEU A 15 0.421 9.176 -2.090 1.00 0.00 C ATOM 167 O LEU A 15 -0.544 9.311 -1.337 1.00 0.00 O ATOM 168 CB LEU A 15 0.609 10.538 -4.179 1.00 0.00 C ATOM 169 CG LEU A 15 0.562 11.966 -4.726 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.372 11.954 -6.235 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.549 12.758 -4.052 1.00 0.00 C ATOM 0 H LEU A 15 2.942 9.733 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 15 0.802 11.277 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.263 9.946 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.389 10.107 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 15 1.513 12.451 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.341 12.978 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.202 11.424 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.563 11.451 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.568 13.771 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.507 12.274 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.368 12.796 -2.978 1.00 0.00 H new ATOM 183 N TYR A 16 0.944 7.992 -2.390 1.00 0.00 N ATOM 184 CA TYR A 16 0.401 6.756 -1.840 1.00 0.00 C ATOM 185 C TYR A 16 1.457 6.009 -1.030 1.00 0.00 C ATOM 186 O TYR A 16 2.614 6.426 -0.964 1.00 0.00 O ATOM 187 CB TYR A 16 -0.122 5.860 -2.965 1.00 0.00 C ATOM 188 CG TYR A 16 -1.042 6.574 -3.929 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.382 6.777 -3.621 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.572 7.047 -5.148 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.226 7.428 -4.499 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.409 7.701 -6.031 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.735 7.888 -5.703 1.00 0.00 C ATOM 194 OH TYR A 16 -3.573 8.538 -6.580 1.00 0.00 O ATOM 0 H TYR A 16 1.743 7.862 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.424 7.015 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.725 5.453 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.653 5.014 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.770 6.419 -2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.466 6.901 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.265 7.576 -4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.027 8.064 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.071 8.799 -7.380 1.00 0.00 H new ATOM 204 N ARG A 17 1.050 4.903 -0.416 1.00 0.00 N ATOM 205 CA ARG A 17 1.959 4.098 0.390 1.00 0.00 C ATOM 206 C ARG A 17 1.432 2.675 0.547 1.00 0.00 C ATOM 207 O ARG A 17 0.468 2.435 1.274 1.00 0.00 O ATOM 208 CB ARG A 17 2.154 4.736 1.767 1.00 0.00 C ATOM 209 CG ARG A 17 3.227 4.059 2.605 1.00 0.00 C ATOM 210 CD ARG A 17 3.484 4.816 3.898 1.00 0.00 C ATOM 211 NE ARG A 17 2.361 4.712 4.826 1.00 0.00 N ATOM 212 CZ ARG A 17 2.270 5.412 5.952 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.230 6.264 6.286 1.00 0.00 N ATOM 214 NH2 ARG A 17 1.217 5.262 6.745 1.00 0.00 N ATOM 0 H ARG A 17 0.096 4.544 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 17 2.920 4.056 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.415 5.786 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.209 4.706 2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.921 3.038 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.151 3.993 2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.384 4.426 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.672 5.866 3.672 1.00 0.00 H new ATOM 0 HE ARG A 17 1.605 4.067 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.040 6.383 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.158 6.800 7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.476 4.609 6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.148 5.800 7.609 1.00 0.00 H new ATOM 228 N VAL A 18 2.070 1.734 -0.142 1.00 0.00 N ATOM 229 CA VAL A 18 1.667 0.334 -0.079 1.00 0.00 C ATOM 230 C VAL A 18 2.660 -0.489 0.734 1.00 0.00 C ATOM 231 O VAL A 18 3.868 -0.418 0.510 1.00 0.00 O ATOM 232 CB VAL A 18 1.541 -0.277 -1.487 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.880 -0.241 -2.206 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.009 -1.700 -1.404 1.00 0.00 C ATOM 0 H VAL A 18 2.868 1.916 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 18 0.693 0.307 0.409 1.00 0.00 H new ATOM 0 HB VAL A 18 0.831 0.319 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.772 -0.677 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.216 0.792 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.614 -0.812 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.926 -2.117 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.692 -2.310 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.027 -1.694 -0.931 1.00 0.00 H new ATOM 244 N GLU A 19 2.142 -1.269 1.677 1.00 0.00 N ATOM 245 CA GLU A 19 2.985 -2.105 2.524 1.00 0.00 C ATOM 246 C GLU A 19 2.158 -3.184 3.218 1.00 0.00 C ATOM 247 O GLU A 19 0.928 -3.132 3.223 1.00 0.00 O ATOM 248 CB GLU A 19 3.706 -1.250 3.567 1.00 0.00 C ATOM 249 CG GLU A 19 2.767 -0.544 4.531 1.00 0.00 C ATOM 250 CD GLU A 19 3.389 0.691 5.153 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.623 0.699 5.346 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.643 1.648 5.448 1.00 0.00 O ATOM 0 H GLU A 19 1.144 -1.340 1.874 1.00 0.00 H new ATOM 0 HA GLU A 19 3.726 -2.591 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.387 -1.883 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.315 -0.505 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.856 -0.261 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.476 -1.236 5.321 1.00 0.00 H new ATOM 259 N TYR A 20 2.843 -4.161 3.802 1.00 0.00 N ATOM 260 CA TYR A 20 2.173 -5.254 4.496 1.00 0.00 C ATOM 261 C TYR A 20 1.588 -4.780 5.823 1.00 0.00 C ATOM 262 O TYR A 20 2.320 -4.493 6.769 1.00 0.00 O ATOM 263 CB TYR A 20 3.150 -6.406 4.739 1.00 0.00 C ATOM 264 CG TYR A 20 3.850 -6.882 3.486 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.128 -7.406 2.420 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.232 -6.808 3.367 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.762 -7.842 1.273 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.875 -7.241 2.224 1.00 0.00 C ATOM 269 CZ TYR A 20 5.136 -7.757 1.180 1.00 0.00 C ATOM 270 OH TYR A 20 5.773 -8.191 0.040 1.00 0.00 O ATOM 0 H TYR A 20 3.861 -4.218 3.809 1.00 0.00 H new ATOM 0 HA TYR A 20 1.357 -5.605 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.899 -6.089 5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.609 -7.242 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.052 -7.473 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.814 -6.405 4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.186 -8.247 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.950 -7.176 2.148 1.00 0.00 H new ATOM 0 HH TYR A 20 5.147 -8.710 -0.507 1.00 0.00 H new ATOM 280 N ALA A 21 0.263 -4.701 5.883 1.00 0.00 N ATOM 281 CA ALA A 21 -0.422 -4.265 7.093 1.00 0.00 C ATOM 282 C ALA A 21 0.336 -4.704 8.342 1.00 0.00 C ATOM 283 O ALA A 21 0.912 -5.791 8.381 1.00 0.00 O ATOM 284 CB ALA A 21 -1.844 -4.806 7.119 1.00 0.00 C ATOM 0 H ALA A 21 -0.357 -4.933 5.107 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.459 -3.176 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.344 -4.472 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.389 -4.438 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.819 -5.896 7.097 1.00 0.00 H new ATOM 290 N LYS A 22 0.333 -3.851 9.360 1.00 0.00 N ATOM 291 CA LYS A 22 1.019 -4.150 10.612 1.00 0.00 C ATOM 292 C LYS A 22 0.085 -4.854 11.590 1.00 0.00 C ATOM 293 O LYS A 22 0.468 -5.830 12.235 1.00 0.00 O ATOM 294 CB LYS A 22 1.559 -2.864 11.241 1.00 0.00 C ATOM 295 CG LYS A 22 2.300 -3.090 12.547 1.00 0.00 C ATOM 296 CD LYS A 22 3.674 -3.693 12.312 1.00 0.00 C ATOM 297 CE LYS A 22 4.686 -2.632 11.906 1.00 0.00 C ATOM 298 NZ LYS A 22 6.015 -3.224 11.591 1.00 0.00 N ATOM 0 H LYS A 22 -0.137 -2.946 9.343 1.00 0.00 H new ATOM 0 HA LYS A 22 1.852 -4.816 10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.229 -2.377 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.729 -2.180 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.403 -2.143 13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.716 -3.751 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.013 -4.193 13.219 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.611 -4.454 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.315 -2.090 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.794 -1.906 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.676 -2.468 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.382 -3.720 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.917 -3.898 10.805 1.00 0.00 H new ATOM 312 N SER A 23 -1.142 -4.354 11.694 1.00 0.00 N ATOM 313 CA SER A 23 -2.130 -4.934 12.596 1.00 0.00 C ATOM 314 C SER A 23 -3.542 -4.748 12.048 1.00 0.00 C ATOM 315 O SER A 23 -3.750 -4.033 11.069 1.00 0.00 O ATOM 316 CB SER A 23 -2.022 -4.299 13.983 1.00 0.00 C ATOM 317 OG SER A 23 -1.989 -2.885 13.895 1.00 0.00 O ATOM 0 H SER A 23 -1.476 -3.548 11.165 1.00 0.00 H new ATOM 0 HA SER A 23 -1.928 -6.002 12.677 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.869 -4.609 14.595 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.121 -4.657 14.481 1.00 0.00 H new ATOM 0 HG SER A 23 -1.237 -2.542 14.421 1.00 0.00 H new ATOM 323 N GLY A 24 -4.509 -5.398 12.688 1.00 0.00 N ATOM 324 CA GLY A 24 -5.889 -5.292 12.251 1.00 0.00 C ATOM 325 C GLY A 24 -6.606 -4.111 12.876 1.00 0.00 C ATOM 326 O GLY A 24 -7.769 -4.217 13.263 1.00 0.00 O ATOM 0 H GLY A 24 -4.362 -5.996 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.917 -5.197 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.419 -6.210 12.504 1.00 0.00 H new ATOM 330 N ARG A 25 -5.910 -2.983 12.975 1.00 0.00 N ATOM 331 CA ARG A 25 -6.486 -1.779 13.561 1.00 0.00 C ATOM 332 C ARG A 25 -6.968 -0.823 12.473 1.00 0.00 C ATOM 333 O ARG A 25 -7.956 -0.111 12.652 1.00 0.00 O ATOM 334 CB ARG A 25 -5.460 -1.078 14.453 1.00 0.00 C ATOM 335 CG ARG A 25 -4.281 -0.501 13.687 1.00 0.00 C ATOM 336 CD ARG A 25 -3.569 0.577 14.490 1.00 0.00 C ATOM 337 NE ARG A 25 -2.564 0.015 15.389 1.00 0.00 N ATOM 338 CZ ARG A 25 -2.242 0.554 16.559 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.843 1.663 16.970 1.00 0.00 N ATOM 340 NH2 ARG A 25 -1.318 -0.015 17.322 1.00 0.00 N ATOM 0 H ARG A 25 -4.947 -2.878 12.657 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.342 -2.074 14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.955 -0.276 15.000 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.090 -1.787 15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.579 -1.298 13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.629 -0.083 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.092 1.282 13.808 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.300 1.140 15.070 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.083 -0.838 15.102 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.554 2.104 16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.594 2.075 17.869 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.854 -0.868 17.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.072 0.400 18.220 1.00 0.00 H new ATOM 354 N ALA A 26 -6.263 -0.813 11.347 1.00 0.00 N ATOM 355 CA ALA A 26 -6.619 0.054 10.230 1.00 0.00 C ATOM 356 C ALA A 26 -8.016 -0.267 9.710 1.00 0.00 C ATOM 357 O ALA A 26 -8.439 -1.423 9.712 1.00 0.00 O ATOM 358 CB ALA A 26 -5.595 -0.077 9.113 1.00 0.00 C ATOM 0 H ALA A 26 -5.442 -1.395 11.184 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.620 1.084 10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.873 0.576 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.611 0.209 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.565 -1.110 8.766 1.00 0.00 H new ATOM 364 N SER A 27 -8.729 0.763 9.266 1.00 0.00 N ATOM 365 CA SER A 27 -10.081 0.591 8.747 1.00 0.00 C ATOM 366 C SER A 27 -10.146 0.960 7.268 1.00 0.00 C ATOM 367 O SER A 27 -9.342 1.754 6.778 1.00 0.00 O ATOM 368 CB SER A 27 -11.068 1.447 9.542 1.00 0.00 C ATOM 369 OG SER A 27 -10.642 2.797 9.598 1.00 0.00 O ATOM 0 H SER A 27 -8.393 1.726 9.255 1.00 0.00 H new ATOM 0 HA SER A 27 -10.354 -0.459 8.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.054 1.392 9.082 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.166 1.051 10.553 1.00 0.00 H new ATOM 0 HG SER A 27 -11.291 3.324 10.110 1.00 0.00 H new ATOM 375 N CYS A 28 -11.108 0.377 6.561 1.00 0.00 N ATOM 376 CA CYS A 28 -11.280 0.642 5.138 1.00 0.00 C ATOM 377 C CYS A 28 -12.421 1.628 4.902 1.00 0.00 C ATOM 378 O CYS A 28 -13.536 1.433 5.388 1.00 0.00 O ATOM 379 CB CYS A 28 -11.554 -0.661 4.384 1.00 0.00 C ATOM 380 SG CYS A 28 -11.520 -0.492 2.571 1.00 0.00 S ATOM 0 H CYS A 28 -11.781 -0.283 6.951 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.357 1.084 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.814 -1.404 4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.529 -1.044 4.684 1.00 0.00 H new ATOM 385 N LYS A 29 -12.134 2.688 4.154 1.00 0.00 N ATOM 386 CA LYS A 29 -13.135 3.705 3.852 1.00 0.00 C ATOM 387 C LYS A 29 -13.885 3.365 2.568 1.00 0.00 C ATOM 388 O LYS A 29 -14.533 4.224 1.969 1.00 0.00 O ATOM 389 CB LYS A 29 -12.473 5.078 3.720 1.00 0.00 C ATOM 390 CG LYS A 29 -11.742 5.524 4.974 1.00 0.00 C ATOM 391 CD LYS A 29 -12.684 6.199 5.957 1.00 0.00 C ATOM 392 CE LYS A 29 -11.927 6.794 7.135 1.00 0.00 C ATOM 393 NZ LYS A 29 -11.636 5.773 8.180 1.00 0.00 N ATOM 0 H LYS A 29 -11.216 2.865 3.746 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.850 3.731 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.769 5.054 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.235 5.817 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.274 4.662 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.941 6.213 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.242 6.985 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.413 5.475 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.992 7.230 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.512 7.604 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.119 6.218 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.529 5.375 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.056 5.013 7.771 1.00 0.00 H new ATOM 407 N LYS A 30 -13.794 2.107 2.150 1.00 0.00 N ATOM 408 CA LYS A 30 -14.466 1.652 0.939 1.00 0.00 C ATOM 409 C LYS A 30 -15.545 0.624 1.268 1.00 0.00 C ATOM 410 O LYS A 30 -16.701 0.775 0.874 1.00 0.00 O ATOM 411 CB LYS A 30 -13.452 1.048 -0.036 1.00 0.00 C ATOM 412 CG LYS A 30 -14.078 0.517 -1.313 1.00 0.00 C ATOM 413 CD LYS A 30 -14.478 1.645 -2.249 1.00 0.00 C ATOM 414 CE LYS A 30 -15.657 1.250 -3.126 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.954 1.396 -2.409 1.00 0.00 N ATOM 0 H LYS A 30 -13.261 1.384 2.633 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.941 2.515 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.711 1.806 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.920 0.238 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.373 -0.143 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.955 -0.082 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.737 2.529 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.630 1.915 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.666 1.869 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.537 0.217 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.648 0.732 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.818 1.189 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.304 2.369 -2.519 1.00 0.00 H new ATOM 429 N CYS A 31 -15.159 -0.420 1.994 1.00 0.00 N ATOM 430 CA CYS A 31 -16.092 -1.472 2.377 1.00 0.00 C ATOM 431 C CYS A 31 -16.443 -1.374 3.859 1.00 0.00 C ATOM 432 O CYS A 31 -17.193 -2.196 4.386 1.00 0.00 O ATOM 433 CB CYS A 31 -15.496 -2.847 2.073 1.00 0.00 C ATOM 434 SG CYS A 31 -14.004 -3.242 3.041 1.00 0.00 S ATOM 0 H CYS A 31 -14.206 -0.560 2.329 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.005 -1.343 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.252 -3.609 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.252 -2.899 1.012 1.00 0.00 H new ATOM 439 N SER A 32 -15.895 -0.363 4.526 1.00 0.00 N ATOM 440 CA SER A 32 -16.147 -0.159 5.948 1.00 0.00 C ATOM 441 C SER A 32 -15.860 -1.432 6.738 1.00 0.00 C ATOM 442 O SER A 32 -16.679 -1.872 7.544 1.00 0.00 O ATOM 443 CB SER A 32 -17.595 0.279 6.173 1.00 0.00 C ATOM 444 OG SER A 32 -17.743 0.927 7.425 1.00 0.00 O ATOM 0 H SER A 32 -15.274 0.328 4.105 1.00 0.00 H new ATOM 0 HA SER A 32 -15.479 0.626 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.903 0.952 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.252 -0.590 6.130 1.00 0.00 H new ATOM 0 HG SER A 32 -18.677 1.199 7.544 1.00 0.00 H new ATOM 450 N GLU A 33 -14.691 -2.018 6.500 1.00 0.00 N ATOM 451 CA GLU A 33 -14.296 -3.241 7.189 1.00 0.00 C ATOM 452 C GLU A 33 -12.968 -3.052 7.916 1.00 0.00 C ATOM 453 O GLU A 33 -12.299 -2.031 7.754 1.00 0.00 O ATOM 454 CB GLU A 33 -14.186 -4.400 6.195 1.00 0.00 C ATOM 455 CG GLU A 33 -15.506 -4.765 5.538 1.00 0.00 C ATOM 456 CD GLU A 33 -16.301 -5.772 6.346 1.00 0.00 C ATOM 457 OE1 GLU A 33 -16.275 -5.685 7.592 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.949 -6.647 5.734 1.00 0.00 O ATOM 0 H GLU A 33 -14.001 -1.666 5.836 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.063 -3.476 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.465 -4.137 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.793 -5.275 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.102 -3.862 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.313 -5.172 4.545 1.00 0.00 H new ATOM 465 N SER A 34 -12.592 -4.043 8.718 1.00 0.00 N ATOM 466 CA SER A 34 -11.346 -3.985 9.473 1.00 0.00 C ATOM 467 C SER A 34 -10.235 -4.737 8.747 1.00 0.00 C ATOM 468 O SER A 34 -10.178 -5.966 8.781 1.00 0.00 O ATOM 469 CB SER A 34 -11.545 -4.572 10.872 1.00 0.00 C ATOM 470 OG SER A 34 -12.674 -3.999 11.509 1.00 0.00 O ATOM 0 H SER A 34 -13.133 -4.896 8.862 1.00 0.00 H new ATOM 0 HA SER A 34 -11.053 -2.939 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.672 -5.652 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.654 -4.394 11.475 1.00 0.00 H new ATOM 0 HG SER A 34 -12.781 -4.392 12.401 1.00 0.00 H new ATOM 476 N ILE A 35 -9.353 -3.989 8.092 1.00 0.00 N ATOM 477 CA ILE A 35 -8.243 -4.584 7.359 1.00 0.00 C ATOM 478 C ILE A 35 -7.515 -5.620 8.209 1.00 0.00 C ATOM 479 O ILE A 35 -7.114 -5.357 9.344 1.00 0.00 O ATOM 480 CB ILE A 35 -7.235 -3.515 6.898 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.933 -2.465 6.031 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.088 -4.161 6.136 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.116 -1.209 5.827 1.00 0.00 C ATOM 0 H ILE A 35 -9.386 -2.970 8.054 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.669 -5.072 6.482 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.826 -3.019 7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.161 -2.902 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.884 -2.199 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.384 -3.392 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.577 -4.874 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.479 -4.680 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.673 -0.510 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.910 -0.748 6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.176 -1.462 5.337 1.00 0.00 H new ATOM 495 N PRO A 36 -7.337 -6.825 7.650 1.00 0.00 N ATOM 496 CA PRO A 36 -6.654 -7.925 8.338 1.00 0.00 C ATOM 497 C PRO A 36 -5.159 -7.669 8.497 1.00 0.00 C ATOM 498 O PRO A 36 -4.540 -7.004 7.666 1.00 0.00 O ATOM 499 CB PRO A 36 -6.896 -9.124 7.419 1.00 0.00 C ATOM 500 CG PRO A 36 -7.110 -8.530 6.069 1.00 0.00 C ATOM 501 CD PRO A 36 -7.788 -7.208 6.301 1.00 0.00 C ATOM 0 HA PRO A 36 -7.028 -8.066 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.044 -9.803 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.764 -9.700 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.163 -8.396 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.726 -9.181 5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.495 -6.470 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.873 -7.299 6.251 1.00 0.00 H new ATOM 509 N LYS A 37 -4.583 -8.202 9.569 1.00 0.00 N ATOM 510 CA LYS A 37 -3.159 -8.034 9.837 1.00 0.00 C ATOM 511 C LYS A 37 -2.321 -8.846 8.855 1.00 0.00 C ATOM 512 O LYS A 37 -2.716 -9.937 8.442 1.00 0.00 O ATOM 513 CB LYS A 37 -2.836 -8.456 11.272 1.00 0.00 C ATOM 514 CG LYS A 37 -1.350 -8.449 11.588 1.00 0.00 C ATOM 515 CD LYS A 37 -1.097 -8.571 13.081 1.00 0.00 C ATOM 516 CE LYS A 37 0.216 -9.283 13.367 1.00 0.00 C ATOM 517 NZ LYS A 37 0.253 -9.846 14.745 1.00 0.00 N ATOM 0 H LYS A 37 -5.081 -8.755 10.267 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.913 -6.980 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.349 -7.787 11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.231 -9.457 11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.862 -9.273 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.902 -7.527 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.079 -7.578 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.917 -9.117 13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.359 -10.085 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.043 -8.585 13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.164 -10.323 14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.142 -9.078 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.521 -10.531 14.861 1.00 0.00 H new ATOM 531 N ASP A 38 -1.163 -8.310 8.487 1.00 0.00 N ATOM 532 CA ASP A 38 -0.268 -8.987 7.556 1.00 0.00 C ATOM 533 C ASP A 38 -0.935 -9.169 6.197 1.00 0.00 C ATOM 534 O ASP A 38 -0.957 -10.271 5.648 1.00 0.00 O ATOM 535 CB ASP A 38 0.154 -10.345 8.118 1.00 0.00 C ATOM 536 CG ASP A 38 1.152 -11.056 7.224 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.106 -10.398 6.760 1.00 0.00 O ATOM 538 OD2 ASP A 38 0.977 -12.270 6.988 1.00 0.00 O ATOM 0 H ASP A 38 -0.822 -7.408 8.819 1.00 0.00 H new ATOM 0 HA ASP A 38 0.618 -8.366 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.591 -10.206 9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.728 -10.973 8.244 1.00 0.00 H new ATOM 543 N SER A 39 -1.479 -8.082 5.659 1.00 0.00 N ATOM 544 CA SER A 39 -2.152 -8.124 4.366 1.00 0.00 C ATOM 545 C SER A 39 -1.744 -6.933 3.503 1.00 0.00 C ATOM 546 O SER A 39 -1.524 -5.832 4.008 1.00 0.00 O ATOM 547 CB SER A 39 -3.670 -8.134 4.557 1.00 0.00 C ATOM 548 OG SER A 39 -4.148 -6.847 4.909 1.00 0.00 O ATOM 0 H SER A 39 -1.467 -7.162 6.098 1.00 0.00 H new ATOM 0 HA SER A 39 -1.852 -9.040 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.153 -8.466 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.937 -8.850 5.334 1.00 0.00 H new ATOM 0 HG SER A 39 -4.316 -6.813 5.874 1.00 0.00 H new ATOM 554 N LEU A 40 -1.646 -7.163 2.198 1.00 0.00 N ATOM 555 CA LEU A 40 -1.264 -6.110 1.263 1.00 0.00 C ATOM 556 C LEU A 40 -2.349 -5.042 1.174 1.00 0.00 C ATOM 557 O LEU A 40 -3.467 -5.313 0.736 1.00 0.00 O ATOM 558 CB LEU A 40 -1.001 -6.703 -0.122 1.00 0.00 C ATOM 559 CG LEU A 40 -0.351 -5.766 -1.141 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.019 -5.318 -0.656 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.243 -6.446 -2.498 1.00 0.00 C ATOM 0 H LEU A 40 -1.826 -8.068 1.764 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.350 -5.644 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.363 -7.579 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.949 -7.052 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.982 -4.884 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.466 -4.652 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.915 -4.791 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.659 -6.189 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.222 -5.765 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.365 -7.346 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.239 -6.715 -2.850 1.00 0.00 H new ATOM 573 N ARG A 41 -2.010 -3.826 1.591 1.00 0.00 N ATOM 574 CA ARG A 41 -2.955 -2.716 1.557 1.00 0.00 C ATOM 575 C ARG A 41 -2.293 -1.455 1.011 1.00 0.00 C ATOM 576 O ARG A 41 -1.070 -1.389 0.886 1.00 0.00 O ATOM 577 CB ARG A 41 -3.510 -2.448 2.958 1.00 0.00 C ATOM 578 CG ARG A 41 -2.449 -2.034 3.964 1.00 0.00 C ATOM 579 CD ARG A 41 -3.063 -1.699 5.315 1.00 0.00 C ATOM 580 NE ARG A 41 -2.046 -1.388 6.316 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.233 -1.533 7.623 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.392 -1.984 8.084 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.260 -1.229 8.472 1.00 0.00 N ATOM 0 H ARG A 41 -1.089 -3.585 1.956 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.776 -2.991 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.266 -1.665 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.010 -3.346 3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.724 -2.839 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.905 -1.169 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.737 -0.849 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.665 -2.541 5.659 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.143 -1.040 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.142 -2.220 7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.533 -2.095 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.367 -0.883 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.405 -1.341 9.475 1.00 0.00 H new ATOM 597 N MET A 42 -3.109 -0.457 0.688 1.00 0.00 N ATOM 598 CA MET A 42 -2.601 0.803 0.156 1.00 0.00 C ATOM 599 C MET A 42 -2.978 1.968 1.065 1.00 0.00 C ATOM 600 O MET A 42 -3.803 1.822 1.966 1.00 0.00 O ATOM 601 CB MET A 42 -3.147 1.042 -1.253 1.00 0.00 C ATOM 602 CG MET A 42 -2.797 -0.062 -2.237 1.00 0.00 C ATOM 603 SD MET A 42 -3.320 0.316 -3.921 1.00 0.00 S ATOM 604 CE MET A 42 -1.780 0.891 -4.632 1.00 0.00 C ATOM 0 H MET A 42 -4.124 -0.496 0.785 1.00 0.00 H new ATOM 0 HA MET A 42 -1.514 0.738 0.111 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.231 1.141 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.758 1.989 -1.628 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.720 -0.227 -2.224 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.266 -0.992 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.940 1.164 -5.675 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.427 1.762 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.034 0.098 -4.575 1.00 0.00 H new ATOM 614 N ALA A 43 -2.368 3.123 0.822 1.00 0.00 N ATOM 615 CA ALA A 43 -2.642 4.314 1.618 1.00 0.00 C ATOM 616 C ALA A 43 -2.769 5.549 0.733 1.00 0.00 C ATOM 617 O ALA A 43 -2.125 5.644 -0.312 1.00 0.00 O ATOM 618 CB ALA A 43 -1.548 4.517 2.656 1.00 0.00 C ATOM 0 H ALA A 43 -1.681 3.260 0.081 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.593 4.168 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.765 5.409 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.507 3.650 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.588 4.637 2.154 1.00 0.00 H new ATOM 624 N ILE A 44 -3.605 6.491 1.157 1.00 0.00 N ATOM 625 CA ILE A 44 -3.816 7.720 0.402 1.00 0.00 C ATOM 626 C ILE A 44 -3.722 8.944 1.306 1.00 0.00 C ATOM 627 O ILE A 44 -4.437 9.049 2.302 1.00 0.00 O ATOM 628 CB ILE A 44 -5.186 7.720 -0.302 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.298 6.524 -1.250 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.393 9.024 -1.058 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.698 6.297 -1.774 1.00 0.00 C ATOM 0 H ILE A 44 -4.147 6.427 2.019 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.029 7.766 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.966 7.633 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.623 6.674 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.963 5.626 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.365 9.009 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.353 9.860 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.609 9.139 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.702 5.434 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.374 6.115 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.029 7.179 -2.322 1.00 0.00 H new ATOM 643 N MET A 45 -2.834 9.867 0.952 1.00 0.00 N ATOM 644 CA MET A 45 -2.648 11.086 1.730 1.00 0.00 C ATOM 645 C MET A 45 -3.715 12.120 1.385 1.00 0.00 C ATOM 646 O MET A 45 -3.564 12.890 0.436 1.00 0.00 O ATOM 647 CB MET A 45 -1.256 11.670 1.479 1.00 0.00 C ATOM 648 CG MET A 45 -0.150 10.948 2.231 1.00 0.00 C ATOM 649 SD MET A 45 0.391 11.844 3.699 1.00 0.00 S ATOM 650 CE MET A 45 -0.782 11.245 4.913 1.00 0.00 C ATOM 0 H MET A 45 -2.232 9.794 0.132 1.00 0.00 H new ATOM 0 HA MET A 45 -2.742 10.831 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.042 11.632 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.254 12.721 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.501 9.958 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.701 10.801 1.566 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.445 11.521 5.912 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.759 11.689 4.724 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.857 10.160 4.842 1.00 0.00 H new ATOM 660 N VAL A 46 -4.795 12.132 2.161 1.00 0.00 N ATOM 661 CA VAL A 46 -5.887 13.071 1.937 1.00 0.00 C ATOM 662 C VAL A 46 -6.038 14.028 3.115 1.00 0.00 C ATOM 663 O VAL A 46 -5.321 13.922 4.109 1.00 0.00 O ATOM 664 CB VAL A 46 -7.222 12.337 1.712 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.166 11.505 0.440 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.561 11.468 2.914 1.00 0.00 C ATOM 0 H VAL A 46 -4.936 11.502 2.950 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.638 13.638 1.040 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.011 13.080 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.118 10.994 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.973 12.156 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.367 10.768 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.507 10.957 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.772 10.731 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.646 12.093 3.803 1.00 0.00 H new ATOM 676 N GLN A 47 -6.976 14.962 2.994 1.00 0.00 N ATOM 677 CA GLN A 47 -7.221 15.939 4.049 1.00 0.00 C ATOM 678 C GLN A 47 -8.372 15.494 4.946 1.00 0.00 C ATOM 679 O GLN A 47 -9.406 15.033 4.463 1.00 0.00 O ATOM 680 CB GLN A 47 -7.531 17.308 3.443 1.00 0.00 C ATOM 681 CG GLN A 47 -7.576 18.431 4.468 1.00 0.00 C ATOM 682 CD GLN A 47 -7.845 19.784 3.839 1.00 0.00 C ATOM 683 OE1 GLN A 47 -7.586 19.993 2.654 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.367 20.712 4.633 1.00 0.00 N ATOM 0 H GLN A 47 -7.578 15.063 2.177 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.319 16.015 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.777 17.543 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.490 17.259 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.351 18.216 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.628 18.466 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.566 20.495 5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.569 21.642 4.266 1.00 0.00 H new ATOM 693 N SER A 48 -8.184 15.635 6.254 1.00 0.00 N ATOM 694 CA SER A 48 -9.205 15.244 7.219 1.00 0.00 C ATOM 695 C SER A 48 -10.245 16.347 7.387 1.00 0.00 C ATOM 696 O SER A 48 -9.920 17.513 7.616 1.00 0.00 O ATOM 697 CB SER A 48 -8.563 14.922 8.570 1.00 0.00 C ATOM 698 OG SER A 48 -9.474 14.244 9.419 1.00 0.00 O ATOM 0 H SER A 48 -7.335 16.017 6.670 1.00 0.00 H new ATOM 0 HA SER A 48 -9.705 14.352 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.676 14.307 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.233 15.844 9.048 1.00 0.00 H new ATOM 0 HG SER A 48 -9.159 14.297 10.345 1.00 0.00 H new ATOM 704 N PRO A 49 -11.528 15.973 7.271 1.00 0.00 N ATOM 705 CA PRO A 49 -12.643 16.915 7.407 1.00 0.00 C ATOM 706 C PRO A 49 -12.814 17.407 8.840 1.00 0.00 C ATOM 707 O PRO A 49 -13.658 18.260 9.116 1.00 0.00 O ATOM 708 CB PRO A 49 -13.858 16.090 6.975 1.00 0.00 C ATOM 709 CG PRO A 49 -13.471 14.677 7.241 1.00 0.00 C ATOM 710 CD PRO A 49 -11.989 14.601 6.999 1.00 0.00 C ATOM 0 HA PRO A 49 -12.490 17.817 6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.747 16.370 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.088 16.246 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.714 14.392 8.264 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.009 13.995 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.511 13.878 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.764 14.297 5.977 1.00 0.00 H new ATOM 718 N MET A 50 -12.009 16.866 9.747 1.00 0.00 N ATOM 719 CA MET A 50 -12.072 17.252 11.152 1.00 0.00 C ATOM 720 C MET A 50 -11.107 18.397 11.444 1.00 0.00 C ATOM 721 O MET A 50 -11.490 19.411 12.029 1.00 0.00 O ATOM 722 CB MET A 50 -11.747 16.055 12.047 1.00 0.00 C ATOM 723 CG MET A 50 -12.743 14.914 11.922 1.00 0.00 C ATOM 724 SD MET A 50 -14.399 15.376 12.465 1.00 0.00 S ATOM 725 CE MET A 50 -14.172 15.428 14.240 1.00 0.00 C ATOM 0 H MET A 50 -11.305 16.159 9.535 1.00 0.00 H new ATOM 0 HA MET A 50 -13.086 17.591 11.365 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.752 15.686 11.799 1.00 0.00 H new ATOM 0 HB3 MET A 50 -11.715 16.386 13.085 1.00 0.00 H new ATOM 0 HG2 MET A 50 -12.784 14.585 10.884 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.395 14.066 12.512 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.144 15.489 14.729 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.657 14.525 14.567 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.577 16.302 14.505 1.00 0.00 H new ATOM 735 N PHE A 51 -9.854 18.229 11.034 1.00 0.00 N ATOM 736 CA PHE A 51 -8.835 19.248 11.253 1.00 0.00 C ATOM 737 C PHE A 51 -8.195 19.670 9.934 1.00 0.00 C ATOM 738 O PHE A 51 -8.348 18.997 8.914 1.00 0.00 O ATOM 739 CB PHE A 51 -7.761 18.728 12.211 1.00 0.00 C ATOM 740 CG PHE A 51 -7.350 17.309 11.938 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.339 17.029 11.033 1.00 0.00 C ATOM 742 CD2 PHE A 51 -7.976 16.256 12.585 1.00 0.00 C ATOM 743 CE1 PHE A 51 -5.960 15.724 10.779 1.00 0.00 C ATOM 744 CE2 PHE A 51 -7.601 14.949 12.336 1.00 0.00 C ATOM 745 CZ PHE A 51 -6.590 14.683 11.432 1.00 0.00 C ATOM 0 H PHE A 51 -9.520 17.397 10.548 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.317 20.119 11.697 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.884 19.371 12.144 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.132 18.800 13.233 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.842 17.839 10.520 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -8.766 16.459 13.292 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.171 15.519 10.070 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.097 14.137 12.847 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.293 13.663 11.237 1.00 0.00 H new ATOM 755 N ASP A 52 -7.478 20.788 9.962 1.00 0.00 N ATOM 756 CA ASP A 52 -6.813 21.300 8.769 1.00 0.00 C ATOM 757 C ASP A 52 -5.532 20.522 8.484 1.00 0.00 C ATOM 758 O ASP A 52 -4.489 21.108 8.196 1.00 0.00 O ATOM 759 CB ASP A 52 -6.495 22.787 8.935 1.00 0.00 C ATOM 760 CG ASP A 52 -7.743 23.649 8.938 1.00 0.00 C ATOM 761 OD1 ASP A 52 -8.747 23.240 8.319 1.00 0.00 O ATOM 762 OD2 ASP A 52 -7.714 24.732 9.559 1.00 0.00 O ATOM 0 H ASP A 52 -7.342 21.357 10.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.489 21.173 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.951 22.937 9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.837 23.107 8.127 1.00 0.00 H new ATOM 767 N GLY A 53 -5.619 19.198 8.568 1.00 0.00 N ATOM 768 CA GLY A 53 -4.459 18.362 8.318 1.00 0.00 C ATOM 769 C GLY A 53 -4.751 17.244 7.336 1.00 0.00 C ATOM 770 O GLY A 53 -5.746 17.288 6.611 1.00 0.00 O ATOM 0 H GLY A 53 -6.471 18.690 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.647 18.978 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.114 17.934 9.259 1.00 0.00 H new ATOM 774 N LYS A 54 -3.883 16.239 7.310 1.00 0.00 N ATOM 775 CA LYS A 54 -4.051 15.105 6.410 1.00 0.00 C ATOM 776 C LYS A 54 -4.030 13.790 7.182 1.00 0.00 C ATOM 777 O LYS A 54 -3.419 13.693 8.247 1.00 0.00 O ATOM 778 CB LYS A 54 -2.949 15.102 5.348 1.00 0.00 C ATOM 779 CG LYS A 54 -3.197 16.079 4.211 1.00 0.00 C ATOM 780 CD LYS A 54 -2.276 15.810 3.034 1.00 0.00 C ATOM 781 CE LYS A 54 -2.385 16.901 1.980 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.451 16.671 0.843 1.00 0.00 N ATOM 0 H LYS A 54 -3.055 16.187 7.903 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.020 15.203 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.998 15.344 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.854 14.097 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.235 16.005 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.046 17.098 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.246 15.743 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.525 14.847 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.408 16.944 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.171 17.868 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.556 17.436 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.473 16.656 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.671 15.760 0.392 1.00 0.00 H new ATOM 796 N VAL A 55 -4.700 12.778 6.638 1.00 0.00 N ATOM 797 CA VAL A 55 -4.756 11.468 7.275 1.00 0.00 C ATOM 798 C VAL A 55 -4.609 10.351 6.248 1.00 0.00 C ATOM 799 O VAL A 55 -5.218 10.374 5.178 1.00 0.00 O ATOM 800 CB VAL A 55 -6.076 11.274 8.044 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.180 12.270 9.188 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.264 11.405 7.103 1.00 0.00 C ATOM 0 H VAL A 55 -5.211 12.841 5.758 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.925 11.422 7.978 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.085 10.270 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.119 12.117 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.347 12.123 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.149 13.285 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.189 11.265 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.261 12.396 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.195 10.648 6.322 1.00 0.00 H new ATOM 812 N PRO A 56 -3.783 9.348 6.578 1.00 0.00 N ATOM 813 CA PRO A 56 -3.538 8.202 5.698 1.00 0.00 C ATOM 814 C PRO A 56 -4.754 7.290 5.580 1.00 0.00 C ATOM 815 O PRO A 56 -5.141 6.626 6.542 1.00 0.00 O ATOM 816 CB PRO A 56 -2.384 7.467 6.386 1.00 0.00 C ATOM 817 CG PRO A 56 -2.495 7.848 7.822 1.00 0.00 C ATOM 818 CD PRO A 56 -3.025 9.255 7.837 1.00 0.00 C ATOM 0 HA PRO A 56 -3.316 8.513 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.468 6.388 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.421 7.765 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.165 7.173 8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.526 7.791 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.661 9.435 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.219 9.988 7.876 1.00 0.00 H new ATOM 826 N HIS A 57 -5.355 7.264 4.395 1.00 0.00 N ATOM 827 CA HIS A 57 -6.529 6.433 4.151 1.00 0.00 C ATOM 828 C HIS A 57 -6.121 5.051 3.649 1.00 0.00 C ATOM 829 O HIS A 57 -5.597 4.911 2.543 1.00 0.00 O ATOM 830 CB HIS A 57 -7.454 7.104 3.135 1.00 0.00 C ATOM 831 CG HIS A 57 -8.316 8.176 3.728 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.435 8.676 3.097 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.219 8.842 4.903 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.989 9.605 3.857 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.270 9.724 4.959 1.00 0.00 N ATOM 0 H HIS A 57 -5.049 7.809 3.589 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.062 6.316 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.851 7.535 2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.092 6.346 2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.457 8.705 5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.878 10.170 3.618 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.464 10.367 5.727 1.00 0.00 H new ATOM 843 N TRP A 58 -6.364 4.034 4.467 1.00 0.00 N ATOM 844 CA TRP A 58 -6.021 2.663 4.106 1.00 0.00 C ATOM 845 C TRP A 58 -7.143 2.015 3.303 1.00 0.00 C ATOM 846 O TRP A 58 -8.302 2.026 3.718 1.00 0.00 O ATOM 847 CB TRP A 58 -5.734 1.839 5.363 1.00 0.00 C ATOM 848 CG TRP A 58 -4.613 2.390 6.191 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.717 3.012 7.402 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.218 2.368 5.867 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.472 3.379 7.851 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.535 2.995 6.928 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.480 1.879 4.786 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.151 3.144 6.936 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.106 2.029 4.796 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.453 2.656 5.865 1.00 0.00 C ATOM 0 H TRP A 58 -6.797 4.132 5.385 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.125 2.690 3.486 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.637 1.792 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.492 0.817 5.071 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.643 3.189 7.929 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.277 3.860 8.729 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.974 1.393 3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.646 3.628 7.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.526 1.656 3.965 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.622 2.756 5.843 1.00 0.00 H new ATOM 867 N TYR A 59 -6.792 1.450 2.153 1.00 0.00 N ATOM 868 CA TYR A 59 -7.771 0.799 1.291 1.00 0.00 C ATOM 869 C TYR A 59 -7.286 -0.583 0.863 1.00 0.00 C ATOM 870 O TYR A 59 -6.127 -0.757 0.484 1.00 0.00 O ATOM 871 CB TYR A 59 -8.048 1.659 0.057 1.00 0.00 C ATOM 872 CG TYR A 59 -8.861 2.899 0.354 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.232 2.821 0.563 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.258 4.149 0.425 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.979 3.951 0.833 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.997 5.284 0.697 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.357 5.180 0.899 1.00 0.00 C ATOM 878 OH TYR A 59 -11.098 6.308 1.170 1.00 0.00 O ATOM 0 H TYR A 59 -5.837 1.430 1.796 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.695 0.681 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.099 1.955 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.575 1.058 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.722 1.860 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.193 4.235 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.044 3.872 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.512 6.248 0.751 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.572 6.918 1.728 1.00 0.00 H new ATOM 888 N HIS A 60 -8.181 -1.563 0.925 1.00 0.00 N ATOM 889 CA HIS A 60 -7.847 -2.930 0.543 1.00 0.00 C ATOM 890 C HIS A 60 -7.238 -2.970 -0.855 1.00 0.00 C ATOM 891 O HIS A 60 -7.555 -2.138 -1.705 1.00 0.00 O ATOM 892 CB HIS A 60 -9.092 -3.816 0.595 1.00 0.00 C ATOM 893 CG HIS A 60 -9.446 -4.272 1.977 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.586 -3.863 2.635 1.00 0.00 N ATOM 895 CD2 HIS A 60 -8.802 -5.107 2.826 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.629 -4.426 3.830 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.558 -5.186 3.970 1.00 0.00 N ATOM 0 H HIS A 60 -9.144 -1.436 1.236 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.111 -3.309 1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.935 -3.268 0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.933 -4.690 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.868 -5.616 2.639 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.407 -4.288 4.566 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.329 -5.742 4.794 1.00 0.00 H new ATOM 905 N PHE A 61 -6.361 -3.941 -1.086 1.00 0.00 N ATOM 906 CA PHE A 61 -5.706 -4.088 -2.381 1.00 0.00 C ATOM 907 C PHE A 61 -6.705 -3.903 -3.520 1.00 0.00 C ATOM 908 O PHE A 61 -6.368 -3.363 -4.573 1.00 0.00 O ATOM 909 CB PHE A 61 -5.042 -5.463 -2.488 1.00 0.00 C ATOM 910 CG PHE A 61 -4.208 -5.631 -3.725 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.251 -4.689 -4.065 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.382 -6.732 -4.549 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.481 -4.841 -5.203 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.615 -6.889 -5.688 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.665 -5.943 -6.016 1.00 0.00 C ATOM 0 H PHE A 61 -6.087 -4.638 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.941 -3.316 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.414 -5.624 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.814 -6.233 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.105 -3.825 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.125 -7.475 -4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.737 -4.100 -5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.759 -7.752 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.066 -6.064 -6.907 1.00 0.00 H new ATOM 925 N SER A 62 -7.935 -4.357 -3.300 1.00 0.00 N ATOM 926 CA SER A 62 -8.982 -4.246 -4.308 1.00 0.00 C ATOM 927 C SER A 62 -9.768 -2.950 -4.135 1.00 0.00 C ATOM 928 O SER A 62 -9.876 -2.147 -5.062 1.00 0.00 O ATOM 929 CB SER A 62 -9.928 -5.445 -4.225 1.00 0.00 C ATOM 930 OG SER A 62 -10.699 -5.570 -5.408 1.00 0.00 O ATOM 0 H SER A 62 -8.230 -4.805 -2.433 1.00 0.00 H new ATOM 0 HA SER A 62 -8.508 -4.234 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.352 -6.356 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.590 -5.331 -3.366 1.00 0.00 H new ATOM 0 HG SER A 62 -11.294 -6.345 -5.330 1.00 0.00 H new ATOM 936 N CYS A 63 -10.317 -2.754 -2.941 1.00 0.00 N ATOM 937 CA CYS A 63 -11.094 -1.557 -2.643 1.00 0.00 C ATOM 938 C CYS A 63 -10.448 -0.321 -3.263 1.00 0.00 C ATOM 939 O CYS A 63 -11.130 0.524 -3.843 1.00 0.00 O ATOM 940 CB CYS A 63 -11.227 -1.373 -1.130 1.00 0.00 C ATOM 941 SG CYS A 63 -12.370 -2.547 -0.335 1.00 0.00 S ATOM 0 H CYS A 63 -10.238 -3.409 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.087 -1.682 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.242 -1.476 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.567 -0.358 -0.927 1.00 0.00 H new ATOM 946 N PHE A 64 -9.129 -0.223 -3.135 1.00 0.00 N ATOM 947 CA PHE A 64 -8.391 0.910 -3.681 1.00 0.00 C ATOM 948 C PHE A 64 -8.720 1.112 -5.158 1.00 0.00 C ATOM 949 O PHE A 64 -8.874 2.243 -5.620 1.00 0.00 O ATOM 950 CB PHE A 64 -6.886 0.696 -3.507 1.00 0.00 C ATOM 951 CG PHE A 64 -6.054 1.825 -4.044 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.862 1.974 -5.409 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.464 2.739 -3.185 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.096 3.012 -5.905 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.698 3.779 -3.676 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.514 3.916 -5.038 1.00 0.00 C ATOM 0 H PHE A 64 -8.550 -0.914 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.690 1.804 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.666 0.565 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.598 -0.228 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.316 1.271 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.605 2.637 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.953 3.116 -6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.244 4.484 -2.996 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.916 4.728 -5.424 1.00 0.00 H new ATOM 966 N TRP A 65 -8.824 0.010 -5.891 1.00 0.00 N ATOM 967 CA TRP A 65 -9.134 0.066 -7.315 1.00 0.00 C ATOM 968 C TRP A 65 -10.640 0.141 -7.542 1.00 0.00 C ATOM 969 O TRP A 65 -11.123 -0.087 -8.651 1.00 0.00 O ATOM 970 CB TRP A 65 -8.558 -1.157 -8.031 1.00 0.00 C ATOM 971 CG TRP A 65 -7.113 -1.403 -7.718 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.593 -2.459 -7.025 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.003 -0.575 -8.084 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.227 -2.337 -6.939 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.841 -1.191 -7.581 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.879 0.625 -8.789 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.572 -0.645 -7.761 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.619 1.165 -8.966 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.480 0.531 -8.455 1.00 0.00 C ATOM 0 H TRP A 65 -8.698 -0.933 -5.523 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.679 0.967 -7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.137 -2.038 -7.754 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.672 -1.026 -9.107 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.170 -3.270 -6.606 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.602 -2.994 -6.472 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.751 1.121 -9.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.692 -1.132 -7.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.511 2.093 -9.508 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.510 0.979 -8.612 1.00 0.00 H new ATOM 990 N LYS A 66 -11.378 0.462 -6.485 1.00 0.00 N ATOM 991 CA LYS A 66 -12.829 0.569 -6.569 1.00 0.00 C ATOM 992 C LYS A 66 -13.271 2.029 -6.531 1.00 0.00 C ATOM 993 O LYS A 66 -14.146 2.443 -7.291 1.00 0.00 O ATOM 994 CB LYS A 66 -13.485 -0.203 -5.422 1.00 0.00 C ATOM 995 CG LYS A 66 -13.088 -1.668 -5.369 1.00 0.00 C ATOM 996 CD LYS A 66 -13.688 -2.450 -6.526 1.00 0.00 C ATOM 997 CE LYS A 66 -12.867 -3.690 -6.846 1.00 0.00 C ATOM 998 NZ LYS A 66 -11.679 -3.367 -7.684 1.00 0.00 N ATOM 0 H LYS A 66 -10.994 0.653 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.145 0.137 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.219 0.271 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.568 -0.132 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.002 -1.753 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.418 -2.102 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.709 -2.742 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.744 -1.812 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.540 -4.159 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.492 -4.415 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.436 -4.189 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.896 -2.554 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.874 -3.132 -7.069 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.658 2.805 -5.642 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.986 4.219 -5.508 1.00 0.00 C ATOM 1014 C VAL A 67 -12.741 4.967 -6.813 1.00 0.00 C ATOM 1015 O VAL A 67 -13.422 5.945 -7.118 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.163 4.882 -4.387 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.621 4.386 -3.024 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.679 4.617 -4.589 1.00 0.00 C ATOM 0 H VAL A 67 -11.932 2.478 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.045 4.275 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.325 5.959 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.028 4.865 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.673 4.632 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.490 3.305 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.112 5.092 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.496 3.543 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.364 5.026 -5.549 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.762 4.499 -7.582 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.444 5.135 -8.847 1.00 0.00 C ATOM 1030 C GLY A 68 -10.133 5.894 -8.801 1.00 0.00 C ATOM 1031 O GLY A 68 -10.035 7.011 -9.311 1.00 0.00 O ATOM 0 H GLY A 68 -11.184 3.691 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.394 4.377 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.247 5.820 -9.118 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.121 5.289 -8.186 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.809 5.916 -8.074 1.00 0.00 C ATOM 1037 C HIS A 69 -6.826 5.301 -9.065 1.00 0.00 C ATOM 1038 O HIS A 69 -6.223 4.263 -8.793 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.272 5.773 -6.649 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.636 6.917 -5.754 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.440 8.237 -6.102 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.188 6.934 -4.518 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.855 9.016 -5.119 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.313 8.249 -4.146 1.00 0.00 N ATOM 0 H HIS A 69 -9.185 4.365 -7.758 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.919 6.975 -8.308 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.654 4.848 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.186 5.683 -6.686 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.476 6.073 -3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.825 10.096 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.697 8.581 -3.261 1.00 0.00 H new ATOM 1052 N SER A 70 -6.671 5.947 -10.216 1.00 0.00 N ATOM 1053 CA SER A 70 -5.764 5.461 -11.249 1.00 0.00 C ATOM 1054 C SER A 70 -4.311 5.715 -10.861 1.00 0.00 C ATOM 1055 O SER A 70 -4.009 6.653 -10.122 1.00 0.00 O ATOM 1056 CB SER A 70 -6.072 6.137 -12.587 1.00 0.00 C ATOM 1057 OG SER A 70 -5.961 7.546 -12.483 1.00 0.00 O ATOM 0 H SER A 70 -7.162 6.808 -10.457 1.00 0.00 H new ATOM 0 HA SER A 70 -5.912 4.386 -11.350 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.386 5.770 -13.350 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.079 5.871 -12.909 1.00 0.00 H new ATOM 0 HG SER A 70 -6.161 7.955 -13.351 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.415 4.872 -11.364 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.993 5.005 -11.071 1.00 0.00 C ATOM 1065 C ILE A 71 -1.144 4.577 -12.263 1.00 0.00 C ATOM 1066 O ILE A 71 -1.236 3.441 -12.727 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.591 4.169 -9.842 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.376 4.624 -8.609 1.00 0.00 C ATOM 1069 CG2 ILE A 71 -0.094 4.279 -9.593 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.222 3.702 -7.421 1.00 0.00 C ATOM 0 H ILE A 71 -3.648 4.090 -11.976 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.812 6.059 -10.858 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.832 3.124 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.047 5.624 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.432 4.697 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.175 3.683 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.448 3.912 -10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.170 5.322 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.805 4.086 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.578 2.706 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.171 3.648 -7.136 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.317 5.495 -12.753 1.00 0.00 N ATOM 1083 CA ARG A 72 0.550 5.212 -13.891 1.00 0.00 C ATOM 1084 C ARG A 72 1.714 4.316 -13.478 1.00 0.00 C ATOM 1085 O ARG A 72 1.782 3.150 -13.869 1.00 0.00 O ATOM 1086 CB ARG A 72 1.083 6.515 -14.489 1.00 0.00 C ATOM 1087 CG ARG A 72 0.058 7.269 -15.319 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.780 8.202 -14.459 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.769 8.933 -15.246 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.505 10.065 -15.889 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -0.290 10.593 -15.837 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -2.458 10.672 -16.585 1.00 0.00 N ATOM 0 H ARG A 72 -0.229 6.440 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.039 4.689 -14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.430 7.160 -13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.949 6.291 -15.112 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.567 7.845 -16.092 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.593 6.558 -15.828 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.287 7.624 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.126 8.911 -13.950 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.714 8.554 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.445 10.130 -15.302 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.090 11.462 -16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.394 10.269 -16.627 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.254 11.541 -17.078 1.00 0.00 H new ATOM 1106 N HIS A 73 2.628 4.868 -12.686 1.00 0.00 N ATOM 1107 CA HIS A 73 3.789 4.118 -12.220 1.00 0.00 C ATOM 1108 C HIS A 73 3.795 4.016 -10.698 1.00 0.00 C ATOM 1109 O HIS A 73 4.294 4.896 -9.995 1.00 0.00 O ATOM 1110 CB HIS A 73 5.079 4.782 -12.704 1.00 0.00 C ATOM 1111 CG HIS A 73 5.046 5.172 -14.150 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.682 6.292 -14.642 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.450 4.583 -15.212 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.477 6.376 -15.944 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.732 5.350 -16.315 1.00 0.00 N ATOM 0 H HIS A 73 2.587 5.831 -12.354 1.00 0.00 H new ATOM 0 HA HIS A 73 3.730 3.111 -12.633 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.269 5.670 -12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.913 4.100 -12.539 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.862 3.678 -15.195 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.854 7.151 -16.595 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.417 5.159 -17.266 1.00 0.00 H new ATOM 1123 N PRO A 74 3.228 2.919 -10.175 1.00 0.00 N ATOM 1124 CA PRO A 74 3.155 2.677 -8.732 1.00 0.00 C ATOM 1125 C PRO A 74 4.522 2.379 -8.124 1.00 0.00 C ATOM 1126 O PRO A 74 4.682 2.377 -6.904 1.00 0.00 O ATOM 1127 CB PRO A 74 2.244 1.452 -8.623 1.00 0.00 C ATOM 1128 CG PRO A 74 2.392 0.752 -9.929 1.00 0.00 C ATOM 1129 CD PRO A 74 2.614 1.830 -10.954 1.00 0.00 C ATOM 0 HA PRO A 74 2.787 3.549 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.542 0.810 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.209 1.743 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.231 0.057 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.501 0.169 -10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.268 1.492 -11.758 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.678 2.144 -11.416 1.00 0.00 H new ATOM 1137 N ASP A 75 5.504 2.128 -8.983 1.00 0.00 N ATOM 1138 CA ASP A 75 6.858 1.830 -8.531 1.00 0.00 C ATOM 1139 C ASP A 75 7.475 3.038 -7.833 1.00 0.00 C ATOM 1140 O ASP A 75 8.149 2.900 -6.811 1.00 0.00 O ATOM 1141 CB ASP A 75 7.732 1.407 -9.713 1.00 0.00 C ATOM 1142 CG ASP A 75 8.128 2.579 -10.589 1.00 0.00 C ATOM 1143 OD1 ASP A 75 7.247 3.403 -10.912 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.319 2.672 -10.951 1.00 0.00 O ATOM 0 H ASP A 75 5.388 2.125 -9.996 1.00 0.00 H new ATOM 0 HA ASP A 75 6.804 1.008 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.631 0.917 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.195 0.673 -10.314 1.00 0.00 H new ATOM 1149 N VAL A 76 7.242 4.221 -8.391 1.00 0.00 N ATOM 1150 CA VAL A 76 7.776 5.453 -7.823 1.00 0.00 C ATOM 1151 C VAL A 76 6.678 6.266 -7.145 1.00 0.00 C ATOM 1152 O VAL A 76 6.897 6.868 -6.095 1.00 0.00 O ATOM 1153 CB VAL A 76 8.451 6.322 -8.900 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.661 5.607 -9.482 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.457 6.683 -9.993 1.00 0.00 C ATOM 0 H VAL A 76 6.687 4.353 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 76 8.521 5.163 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 76 8.795 7.246 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.125 6.236 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.381 5.405 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.345 4.666 -9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.951 7.297 -10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.081 5.772 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.626 7.239 -9.560 1.00 0.00 H new ATOM 1165 N GLU A 77 5.496 6.276 -7.753 1.00 0.00 N ATOM 1166 CA GLU A 77 4.363 7.016 -7.207 1.00 0.00 C ATOM 1167 C GLU A 77 3.942 6.445 -5.856 1.00 0.00 C ATOM 1168 O GLU A 77 3.883 7.163 -4.858 1.00 0.00 O ATOM 1169 CB GLU A 77 3.183 6.976 -8.180 1.00 0.00 C ATOM 1170 CG GLU A 77 3.431 7.744 -9.468 1.00 0.00 C ATOM 1171 CD GLU A 77 2.154 8.294 -10.073 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.721 9.387 -9.652 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.587 7.632 -10.968 1.00 0.00 O ATOM 0 H GLU A 77 5.298 5.781 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 77 4.672 8.052 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.958 5.938 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.302 7.385 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.119 8.566 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.918 7.088 -10.190 1.00 0.00 H new ATOM 1180 N VAL A 78 3.649 5.149 -5.833 1.00 0.00 N ATOM 1181 CA VAL A 78 3.233 4.481 -4.605 1.00 0.00 C ATOM 1182 C VAL A 78 4.439 4.060 -3.773 1.00 0.00 C ATOM 1183 O VAL A 78 5.122 3.089 -4.099 1.00 0.00 O ATOM 1184 CB VAL A 78 2.372 3.240 -4.906 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.957 2.552 -3.614 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.152 3.625 -5.730 1.00 0.00 C ATOM 0 H VAL A 78 3.692 4.540 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 78 2.638 5.198 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 78 2.969 2.538 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.349 1.677 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.846 2.241 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.378 3.244 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.555 2.736 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.551 4.346 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.474 4.069 -6.672 1.00 0.00 H new ATOM 1196 N ASP A 79 4.694 4.796 -2.697 1.00 0.00 N ATOM 1197 CA ASP A 79 5.817 4.499 -1.816 1.00 0.00 C ATOM 1198 C ASP A 79 5.663 3.118 -1.187 1.00 0.00 C ATOM 1199 O ASP A 79 4.559 2.704 -0.836 1.00 0.00 O ATOM 1200 CB ASP A 79 5.930 5.562 -0.722 1.00 0.00 C ATOM 1201 CG ASP A 79 7.345 5.702 -0.195 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.277 5.814 -1.019 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.519 5.701 1.041 1.00 0.00 O ATOM 0 H ASP A 79 4.138 5.603 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 79 6.728 4.507 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.595 6.522 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.263 5.305 0.101 1.00 0.00 H new ATOM 1208 N GLY A 80 6.779 2.409 -1.047 1.00 0.00 N ATOM 1209 CA GLY A 80 6.746 1.081 -0.461 1.00 0.00 C ATOM 1210 C GLY A 80 6.773 -0.015 -1.508 1.00 0.00 C ATOM 1211 O GLY A 80 7.458 -1.025 -1.343 1.00 0.00 O ATOM 0 H GLY A 80 7.705 2.730 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.598 0.961 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.847 0.977 0.146 1.00 0.00 H new ATOM 1215 N PHE A 81 6.024 0.182 -2.588 1.00 0.00 N ATOM 1216 CA PHE A 81 5.962 -0.800 -3.664 1.00 0.00 C ATOM 1217 C PHE A 81 7.330 -1.432 -3.904 1.00 0.00 C ATOM 1218 O PHE A 81 7.451 -2.651 -4.021 1.00 0.00 O ATOM 1219 CB PHE A 81 5.458 -0.145 -4.952 1.00 0.00 C ATOM 1220 CG PHE A 81 5.585 -1.026 -6.162 1.00 0.00 C ATOM 1221 CD1 PHE A 81 6.803 -1.167 -6.808 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.486 -1.711 -6.654 1.00 0.00 C ATOM 1223 CE1 PHE A 81 6.923 -1.977 -7.921 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.600 -2.523 -7.767 1.00 0.00 C ATOM 1225 CZ PHE A 81 5.820 -2.655 -8.402 1.00 0.00 C ATOM 0 H PHE A 81 5.452 1.012 -2.741 1.00 0.00 H new ATOM 0 HA PHE A 81 5.266 -1.584 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.412 0.133 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.014 0.776 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.668 -0.638 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.530 -1.610 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.878 -2.080 -8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.736 -3.054 -8.140 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.911 -3.287 -9.273 1.00 0.00 H new ATOM 1235 N SER A 82 8.358 -0.593 -3.975 1.00 0.00 N ATOM 1236 CA SER A 82 9.718 -1.067 -4.204 1.00 0.00 C ATOM 1237 C SER A 82 10.095 -2.146 -3.193 1.00 0.00 C ATOM 1238 O SER A 82 10.706 -3.154 -3.544 1.00 0.00 O ATOM 1239 CB SER A 82 10.708 0.096 -4.120 1.00 0.00 C ATOM 1240 OG SER A 82 12.040 -0.355 -4.292 1.00 0.00 O ATOM 0 H SER A 82 8.275 0.419 -3.877 1.00 0.00 H new ATOM 0 HA SER A 82 9.762 -1.499 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.470 0.836 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.610 0.592 -3.154 1.00 0.00 H new ATOM 0 HG SER A 82 12.653 0.407 -4.236 1.00 0.00 H new ATOM 1246 N GLU A 83 9.725 -1.924 -1.935 1.00 0.00 N ATOM 1247 CA GLU A 83 10.025 -2.876 -0.872 1.00 0.00 C ATOM 1248 C GLU A 83 9.364 -4.224 -1.147 1.00 0.00 C ATOM 1249 O GLU A 83 9.970 -5.277 -0.948 1.00 0.00 O ATOM 1250 CB GLU A 83 9.555 -2.331 0.478 1.00 0.00 C ATOM 1251 CG GLU A 83 10.484 -1.282 1.067 1.00 0.00 C ATOM 1252 CD GLU A 83 11.935 -1.512 0.694 1.00 0.00 C ATOM 1253 OE1 GLU A 83 12.329 -1.126 -0.426 1.00 0.00 O ATOM 1254 OE2 GLU A 83 12.678 -2.079 1.523 1.00 0.00 O ATOM 0 H GLU A 83 9.218 -1.094 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 83 11.105 -3.020 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.561 -1.899 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.462 -3.158 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.176 -0.295 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.387 -1.285 2.153 1.00 0.00 H new ATOM 1261 N LEU A 84 8.117 -4.183 -1.604 1.00 0.00 N ATOM 1262 CA LEU A 84 7.372 -5.400 -1.905 1.00 0.00 C ATOM 1263 C LEU A 84 8.221 -6.370 -2.721 1.00 0.00 C ATOM 1264 O LEU A 84 8.993 -5.958 -3.587 1.00 0.00 O ATOM 1265 CB LEU A 84 6.090 -5.061 -2.668 1.00 0.00 C ATOM 1266 CG LEU A 84 5.096 -4.156 -1.940 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.030 -3.653 -2.901 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.457 -4.895 -0.773 1.00 0.00 C ATOM 0 H LEU A 84 7.601 -3.320 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 84 7.110 -5.879 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.366 -4.582 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.584 -5.993 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 84 5.638 -3.296 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.331 -3.010 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.502 -3.086 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.492 -4.501 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.752 -4.235 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.929 -5.774 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.231 -5.206 -0.072 1.00 0.00 H new ATOM 1280 N ARG A 85 8.072 -7.660 -2.438 1.00 0.00 N ATOM 1281 CA ARG A 85 8.825 -8.689 -3.146 1.00 0.00 C ATOM 1282 C ARG A 85 8.508 -8.664 -4.639 1.00 0.00 C ATOM 1283 O ARG A 85 7.518 -8.069 -5.063 1.00 0.00 O ATOM 1284 CB ARG A 85 8.507 -10.070 -2.570 1.00 0.00 C ATOM 1285 CG ARG A 85 8.873 -10.216 -1.102 1.00 0.00 C ATOM 1286 CD ARG A 85 10.380 -10.237 -0.902 1.00 0.00 C ATOM 1287 NE ARG A 85 10.752 -9.966 0.484 1.00 0.00 N ATOM 1288 CZ ARG A 85 11.963 -10.199 0.978 1.00 0.00 C ATOM 1289 NH1 ARG A 85 12.913 -10.704 0.204 1.00 0.00 N ATOM 1290 NH2 ARG A 85 12.225 -9.926 2.250 1.00 0.00 N ATOM 0 H ARG A 85 7.437 -8.017 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 85 9.887 -8.483 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.442 -10.269 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.040 -10.826 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.441 -9.391 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.440 -11.135 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.772 -11.210 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.842 -9.495 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 85 10.044 -9.577 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.715 -10.915 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.842 -10.882 0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.496 -9.537 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.155 -10.105 2.629 1.00 0.00 H new ATOM 1304 N TRP A 86 9.357 -9.312 -5.428 1.00 0.00 N ATOM 1305 CA TRP A 86 9.168 -9.363 -6.874 1.00 0.00 C ATOM 1306 C TRP A 86 7.744 -9.782 -7.222 1.00 0.00 C ATOM 1307 O TRP A 86 7.077 -9.134 -8.029 1.00 0.00 O ATOM 1308 CB TRP A 86 10.167 -10.334 -7.505 1.00 0.00 C ATOM 1309 CG TRP A 86 10.123 -10.341 -9.003 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.979 -9.697 -9.851 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.174 -11.022 -9.830 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.619 -9.938 -11.155 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.515 -10.749 -11.169 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.070 -11.839 -9.569 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.790 -11.262 -12.241 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.351 -12.347 -10.635 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.714 -12.058 -11.957 1.00 0.00 C ATOM 0 H TRP A 86 10.182 -9.809 -5.092 1.00 0.00 H new ATOM 0 HA TRP A 86 9.341 -8.364 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.173 -10.071 -7.179 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.966 -11.340 -7.138 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.816 -9.088 -9.542 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.096 -9.572 -11.979 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.784 -12.069 -8.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.067 -11.040 -13.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.495 -12.977 -10.445 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.133 -12.472 -12.768 1.00 0.00 H new ATOM 1328 N ASP A 87 7.284 -10.867 -6.610 1.00 0.00 N ATOM 1329 CA ASP A 87 5.938 -11.371 -6.855 1.00 0.00 C ATOM 1330 C ASP A 87 4.902 -10.266 -6.670 1.00 0.00 C ATOM 1331 O ASP A 87 4.178 -9.919 -7.602 1.00 0.00 O ATOM 1332 CB ASP A 87 5.629 -12.539 -5.917 1.00 0.00 C ATOM 1333 CG ASP A 87 4.492 -13.404 -6.425 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.528 -13.794 -7.611 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.567 -13.691 -5.637 1.00 0.00 O ATOM 0 H ASP A 87 7.824 -11.415 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 87 5.890 -11.721 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.523 -13.152 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.374 -12.152 -4.931 1.00 0.00 H new ATOM 1340 N ASP A 88 4.837 -9.720 -5.461 1.00 0.00 N ATOM 1341 CA ASP A 88 3.890 -8.654 -5.153 1.00 0.00 C ATOM 1342 C ASP A 88 4.013 -7.512 -6.156 1.00 0.00 C ATOM 1343 O ASP A 88 3.055 -7.181 -6.854 1.00 0.00 O ATOM 1344 CB ASP A 88 4.121 -8.131 -3.735 1.00 0.00 C ATOM 1345 CG ASP A 88 3.574 -9.069 -2.676 1.00 0.00 C ATOM 1346 OD1 ASP A 88 2.387 -8.928 -2.315 1.00 0.00 O ATOM 1347 OD2 ASP A 88 4.333 -9.943 -2.209 1.00 0.00 O ATOM 0 H ASP A 88 5.429 -9.998 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 88 2.883 -9.066 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.189 -7.988 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.649 -7.154 -3.630 1.00 0.00 H new ATOM 1352 N GLN A 89 5.198 -6.912 -6.221 1.00 0.00 N ATOM 1353 CA GLN A 89 5.445 -5.805 -7.137 1.00 0.00 C ATOM 1354 C GLN A 89 4.691 -6.005 -8.448 1.00 0.00 C ATOM 1355 O GLN A 89 4.059 -5.081 -8.957 1.00 0.00 O ATOM 1356 CB GLN A 89 6.943 -5.668 -7.413 1.00 0.00 C ATOM 1357 CG GLN A 89 7.728 -5.105 -6.239 1.00 0.00 C ATOM 1358 CD GLN A 89 9.228 -5.185 -6.448 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.753 -6.216 -6.869 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.926 -4.094 -6.154 1.00 0.00 N ATOM 0 H GLN A 89 6.002 -7.174 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 89 5.084 -4.890 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.347 -6.646 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.087 -5.022 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.442 -4.065 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.461 -5.650 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.449 -3.261 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.939 -4.089 -6.275 1.00 0.00 H new ATOM 1369 N GLN A 90 4.763 -7.218 -8.987 1.00 0.00 N ATOM 1370 CA GLN A 90 4.088 -7.538 -10.239 1.00 0.00 C ATOM 1371 C GLN A 90 2.573 -7.507 -10.064 1.00 0.00 C ATOM 1372 O GLN A 90 1.863 -6.846 -10.822 1.00 0.00 O ATOM 1373 CB GLN A 90 4.528 -8.913 -10.743 1.00 0.00 C ATOM 1374 CG GLN A 90 5.899 -8.911 -11.399 1.00 0.00 C ATOM 1375 CD GLN A 90 5.897 -8.233 -12.755 1.00 0.00 C ATOM 1376 OE1 GLN A 90 4.845 -8.049 -13.368 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.078 -7.857 -13.231 1.00 0.00 N ATOM 0 H GLN A 90 5.282 -7.995 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 90 4.365 -6.784 -10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.536 -9.612 -9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.793 -9.281 -11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.609 -8.405 -10.745 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.245 -9.938 -11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.925 -8.029 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.139 -7.396 -14.139 1.00 0.00 H new ATOM 1386 N LYS A 91 2.084 -8.227 -9.061 1.00 0.00 N ATOM 1387 CA LYS A 91 0.654 -8.283 -8.784 1.00 0.00 C ATOM 1388 C LYS A 91 0.030 -6.893 -8.861 1.00 0.00 C ATOM 1389 O LYS A 91 -0.961 -6.684 -9.560 1.00 0.00 O ATOM 1390 CB LYS A 91 0.404 -8.890 -7.402 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.068 -9.006 -7.046 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.270 -9.139 -5.545 1.00 0.00 C ATOM 1393 CE LYS A 91 -0.799 -10.492 -5.037 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.465 -10.867 -3.759 1.00 0.00 N ATOM 0 H LYS A 91 2.658 -8.781 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 91 0.188 -8.914 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.858 -9.880 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.904 -8.279 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.601 -8.128 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.498 -9.871 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.725 -8.347 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.325 -9.007 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.003 -11.254 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.281 -10.469 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.117 -11.796 -3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.250 -10.154 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.494 -10.914 -3.904 1.00 0.00 H new ATOM 1408 N VAL A 92 0.618 -5.945 -8.139 1.00 0.00 N ATOM 1409 CA VAL A 92 0.122 -4.574 -8.127 1.00 0.00 C ATOM 1410 C VAL A 92 0.177 -3.958 -9.521 1.00 0.00 C ATOM 1411 O VAL A 92 -0.833 -3.485 -10.043 1.00 0.00 O ATOM 1412 CB VAL A 92 0.929 -3.693 -7.156 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.423 -2.259 -7.189 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.864 -4.257 -5.745 1.00 0.00 C ATOM 0 H VAL A 92 1.439 -6.101 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.914 -4.615 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 92 1.971 -3.693 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.006 -1.652 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.527 -1.860 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.627 -2.237 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.440 -3.622 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.174 -4.290 -5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.279 -5.265 -5.736 1.00 0.00 H new ATOM 1424 N LYS A 93 1.363 -3.967 -10.119 1.00 0.00 N ATOM 1425 CA LYS A 93 1.552 -3.411 -11.454 1.00 0.00 C ATOM 1426 C LYS A 93 0.466 -3.902 -12.406 1.00 0.00 C ATOM 1427 O LYS A 93 -0.214 -3.106 -13.052 1.00 0.00 O ATOM 1428 CB LYS A 93 2.931 -3.791 -11.996 1.00 0.00 C ATOM 1429 CG LYS A 93 4.057 -2.926 -11.456 1.00 0.00 C ATOM 1430 CD LYS A 93 5.418 -3.529 -11.758 1.00 0.00 C ATOM 1431 CE LYS A 93 6.509 -2.469 -11.765 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.738 -2.941 -12.460 1.00 0.00 N ATOM 0 H LYS A 93 2.209 -4.354 -9.700 1.00 0.00 H new ATOM 0 HA LYS A 93 1.484 -2.326 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.134 -4.833 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.917 -3.718 -13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.994 -1.930 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.941 -2.808 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.653 -4.290 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.389 -4.029 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.138 -1.569 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.755 -2.194 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.457 -2.190 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.107 -3.785 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.509 -3.179 -13.446 1.00 0.00 H new ATOM 1446 N LYS A 94 0.309 -5.219 -12.487 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.696 -5.818 -13.358 1.00 0.00 C ATOM 1448 C LYS A 94 -2.068 -5.199 -13.111 1.00 0.00 C ATOM 1449 O LYS A 94 -2.711 -4.699 -14.035 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.759 -7.330 -13.135 1.00 0.00 C ATOM 1451 CG LYS A 94 0.417 -8.083 -13.734 1.00 0.00 C ATOM 1452 CD LYS A 94 0.031 -9.500 -14.124 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.533 -9.556 -15.535 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.543 -9.543 -16.564 1.00 0.00 N ATOM 0 H LYS A 94 0.865 -5.892 -11.960 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.409 -5.622 -14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.800 -7.529 -12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.683 -7.714 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.783 -7.550 -14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.236 -8.113 -13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.904 -10.148 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.708 -9.884 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.134 -10.458 -15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.198 -8.707 -15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.117 -9.582 -17.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.102 -8.671 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.163 -10.367 -16.429 1.00 0.00 H new ATOM 1468 N THR A 95 -2.512 -5.235 -11.858 1.00 0.00 N ATOM 1469 CA THR A 95 -3.807 -4.678 -11.490 1.00 0.00 C ATOM 1470 C THR A 95 -3.917 -3.217 -11.910 1.00 0.00 C ATOM 1471 O THR A 95 -4.858 -2.829 -12.601 1.00 0.00 O ATOM 1472 CB THR A 95 -4.054 -4.785 -9.973 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.853 -6.134 -9.538 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.465 -4.338 -9.622 1.00 0.00 C ATOM 0 H THR A 95 -1.993 -5.644 -11.081 1.00 0.00 H new ATOM 0 HA THR A 95 -4.563 -5.262 -12.016 1.00 0.00 H new ATOM 0 HB THR A 95 -3.346 -4.131 -9.465 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.892 -6.319 -9.478 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.616 -4.422 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.605 -3.301 -9.928 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.186 -4.970 -10.140 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.948 -2.411 -11.487 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.935 -0.992 -11.822 1.00 0.00 C ATOM 1484 C ALA A 96 -3.132 -0.779 -13.319 1.00 0.00 C ATOM 1485 O ALA A 96 -3.975 0.014 -13.736 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.632 -0.354 -11.363 1.00 0.00 C ATOM 0 H ALA A 96 -2.163 -2.716 -10.912 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.765 -0.513 -11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.636 0.705 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.533 -0.466 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.793 -0.844 -11.857 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.349 -1.493 -14.122 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.437 -1.380 -15.573 1.00 0.00 C ATOM 1494 C GLU A 97 -3.871 -1.599 -16.049 1.00 0.00 C ATOM 1495 O GLU A 97 -4.386 -0.840 -16.870 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.505 -2.391 -16.243 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.033 -2.139 -15.965 1.00 0.00 C ATOM 1498 CD GLU A 97 0.823 -3.369 -16.199 1.00 0.00 C ATOM 1499 OE1 GLU A 97 1.017 -3.744 -17.374 1.00 0.00 O ATOM 1500 OE2 GLU A 97 1.301 -3.956 -15.205 1.00 0.00 O ATOM 0 H GLU A 97 -1.647 -2.155 -13.792 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.129 -0.373 -15.853 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.764 -3.393 -15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.672 -2.368 -17.320 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.320 -1.328 -16.603 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.087 -1.808 -14.933 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.508 -2.642 -15.528 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.881 -2.961 -15.898 1.00 0.00 C ATOM 1509 C ALA A 98 -6.817 -1.797 -15.591 1.00 0.00 C ATOM 1510 O ALA A 98 -7.672 -1.445 -16.402 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.344 -4.218 -15.176 1.00 0.00 C ATOM 0 H ALA A 98 -4.095 -3.281 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.909 -3.142 -16.973 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.371 -4.444 -15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.699 -5.053 -15.449 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.294 -4.058 -14.099 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.649 -1.203 -14.413 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.487 -0.085 -14.019 1.00 0.00 C ATOM 1519 C GLY A 99 -8.517 -0.472 -12.977 1.00 0.00 C ATOM 1520 O GLY A 99 -8.470 0.003 -11.842 1.00 0.00 O ATOM 0 H GLY A 99 -5.948 -1.476 -13.725 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.859 0.715 -13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.995 0.312 -14.898 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.451 -1.336 -13.362 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.485 -1.769 -12.440 1.00 0.00 C ATOM 1526 C GLY A 100 -11.114 -3.085 -12.852 1.00 0.00 C ATOM 1527 O GLY A 100 -12.230 -3.113 -13.371 1.00 0.00 O ATOM 0 H GLY A 100 -9.510 -1.744 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.059 -1.870 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.258 -1.003 -12.380 1.00 0.00 H new ATOM 1531 N SER A 101 -10.396 -4.180 -12.622 1.00 0.00 N ATOM 1532 CA SER A 101 -10.888 -5.506 -12.978 1.00 0.00 C ATOM 1533 C SER A 101 -9.969 -6.592 -12.428 1.00 0.00 C ATOM 1534 O SER A 101 -8.783 -6.639 -12.750 1.00 0.00 O ATOM 1535 CB SER A 101 -11.002 -5.640 -14.498 1.00 0.00 C ATOM 1536 OG SER A 101 -11.432 -6.939 -14.865 1.00 0.00 O ATOM 0 H SER A 101 -9.472 -4.175 -12.191 1.00 0.00 H new ATOM 0 HA SER A 101 -11.876 -5.631 -12.534 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.705 -4.900 -14.880 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.036 -5.430 -14.958 1.00 0.00 H new ATOM 0 HG SER A 101 -11.498 -6.998 -15.841 1.00 0.00 H new ATOM 1542 N GLY A 102 -10.528 -7.466 -11.596 1.00 0.00 N ATOM 1543 CA GLY A 102 -9.745 -8.540 -11.014 1.00 0.00 C ATOM 1544 C GLY A 102 -10.336 -9.907 -11.297 1.00 0.00 C ATOM 1545 O GLY A 102 -11.225 -10.382 -10.590 1.00 0.00 O ATOM 0 H GLY A 102 -11.508 -7.449 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.729 -8.499 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.677 -8.393 -9.936 1.00 0.00 H new ATOM 1549 N PRO A 103 -9.838 -10.563 -12.356 1.00 0.00 N ATOM 1550 CA PRO A 103 -10.309 -11.893 -12.756 1.00 0.00 C ATOM 1551 C PRO A 103 -9.895 -12.977 -11.767 1.00 0.00 C ATOM 1552 O PRO A 103 -8.957 -12.796 -10.991 1.00 0.00 O ATOM 1553 CB PRO A 103 -9.630 -12.117 -14.110 1.00 0.00 C ATOM 1554 CG PRO A 103 -8.411 -11.261 -14.068 1.00 0.00 C ATOM 1555 CD PRO A 103 -8.778 -10.058 -13.243 1.00 0.00 C ATOM 0 HA PRO A 103 -11.397 -11.945 -12.795 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.372 -13.166 -14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -10.285 -11.833 -14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.572 -11.798 -13.624 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.106 -10.967 -15.072 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.925 -9.684 -12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -9.133 -9.237 -13.866 1.00 0.00 H new ATOM 1563 N SER A 104 -10.601 -14.102 -11.800 1.00 0.00 N ATOM 1564 CA SER A 104 -10.309 -15.215 -10.903 1.00 0.00 C ATOM 1565 C SER A 104 -9.866 -14.707 -9.534 1.00 0.00 C ATOM 1566 O SER A 104 -8.930 -15.238 -8.936 1.00 0.00 O ATOM 1567 CB SER A 104 -9.223 -16.110 -11.503 1.00 0.00 C ATOM 1568 OG SER A 104 -9.283 -17.418 -10.961 1.00 0.00 O ATOM 0 H SER A 104 -11.379 -14.268 -12.438 1.00 0.00 H new ATOM 0 HA SER A 104 -11.222 -15.798 -10.778 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.342 -16.156 -12.586 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.242 -15.677 -11.308 1.00 0.00 H new ATOM 0 HG SER A 104 -8.580 -17.971 -11.362 1.00 0.00 H new ATOM 1574 N SER A 105 -10.545 -13.674 -9.045 1.00 0.00 N ATOM 1575 CA SER A 105 -10.220 -13.091 -7.749 1.00 0.00 C ATOM 1576 C SER A 105 -11.186 -13.581 -6.674 1.00 0.00 C ATOM 1577 O SER A 105 -12.310 -13.981 -6.971 1.00 0.00 O ATOM 1578 CB SER A 105 -10.260 -11.563 -7.828 1.00 0.00 C ATOM 1579 OG SER A 105 -11.595 -11.088 -7.828 1.00 0.00 O ATOM 0 H SER A 105 -11.323 -13.224 -9.527 1.00 0.00 H new ATOM 0 HA SER A 105 -9.213 -13.408 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.719 -11.138 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.752 -11.229 -8.732 1.00 0.00 H new ATOM 0 HG SER A 105 -11.818 -10.738 -8.716 1.00 0.00 H new ATOM 1585 N GLY A 106 -10.737 -13.546 -5.423 1.00 0.00 N ATOM 1586 CA GLY A 106 -11.573 -13.990 -4.323 1.00 0.00 C ATOM 1587 C GLY A 106 -10.959 -13.687 -2.970 1.00 0.00 C ATOM 1588 O GLY A 106 -10.391 -12.615 -2.765 1.00 0.00 O ATOM 0 H GLY A 106 -9.810 -13.218 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.547 -13.507 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.743 -15.063 -4.410 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.103 -2.668 1.894 1.00 0.00 ZN