USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=31 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 57 HIS : no HE2:sc= -2.82! C(o=-3.1!,f=-4.1!) USER MOD Set 1.2: A 59 TYR OH : rot 5:sc= -0.267 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 163:sc= -0.0361 (180deg=-0.459) USER MOD Set 2.2: A 23 SER OG : rot 114:sc= -0.986 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= -0.11 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.114 USER MOD Single : A 3 SER OG : rot 38:sc= 1.13 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 14 LYS NZ :NH3+ 172:sc= 0.109 (180deg=0.0749) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 15:sc= 0.00346 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.285 (180deg=-1.36!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (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 -114:sc= 0.909 USER MOD Single : A 42 MET CE :methyl 146:sc= -0.586 (180deg=-2.99!) USER MOD Single : A 45 MET CE :methyl 152:sc= -0.47 (180deg=-1.81!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 SER OG : rot -158:sc= 0.0271 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00468) 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= -4.58! C(o=-4.6!,f=-3.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.00869 K(o=0.0087,f=-0.88) USER MOD Single : A 90 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=-0.211) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.0713 (180deg=-0.497) USER MOD Single : A 95 THR OG1 : rot 72:sc= 0.631 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -161:sc=0.000407 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00539 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.656 4.289 12.490 1.00 0.00 N ATOM 2 CA GLY A 1 -12.768 5.360 12.080 1.00 0.00 C ATOM 3 C GLY A 1 -11.685 5.639 13.104 1.00 0.00 C ATOM 4 O GLY A 1 -11.974 5.854 14.281 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.378 4.137 11.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.108 3.415 12.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.120 4.546 13.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.305 5.100 11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.350 6.267 11.914 1.00 0.00 H new ATOM 8 N SER A 2 -10.434 5.635 12.655 1.00 0.00 N ATOM 9 CA SER A 2 -9.303 5.884 13.542 1.00 0.00 C ATOM 10 C SER A 2 -8.022 6.100 12.742 1.00 0.00 C ATOM 11 O SER A 2 -7.944 5.744 11.566 1.00 0.00 O ATOM 12 CB SER A 2 -9.121 4.715 14.512 1.00 0.00 C ATOM 13 OG SER A 2 -8.014 4.931 15.369 1.00 0.00 O ATOM 0 H SER A 2 -10.178 5.462 11.683 1.00 0.00 H new ATOM 0 HA SER A 2 -9.512 6.790 14.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.026 4.588 15.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.976 3.792 13.951 1.00 0.00 H new ATOM 0 HG SER A 2 -7.920 4.171 15.980 1.00 0.00 H new ATOM 19 N SER A 3 -7.020 6.688 13.388 1.00 0.00 N ATOM 20 CA SER A 3 -5.743 6.956 12.737 1.00 0.00 C ATOM 21 C SER A 3 -4.676 7.321 13.764 1.00 0.00 C ATOM 22 O SER A 3 -4.984 7.623 14.916 1.00 0.00 O ATOM 23 CB SER A 3 -5.895 8.086 11.717 1.00 0.00 C ATOM 24 OG SER A 3 -6.278 7.581 10.449 1.00 0.00 O ATOM 0 H SER A 3 -7.068 6.988 14.362 1.00 0.00 H new ATOM 0 HA SER A 3 -5.428 6.049 12.220 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.641 8.799 12.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.953 8.628 11.627 1.00 0.00 H new ATOM 0 HG SER A 3 -6.909 6.841 10.569 1.00 0.00 H new ATOM 30 N GLY A 4 -3.417 7.292 13.336 1.00 0.00 N ATOM 31 CA GLY A 4 -2.322 7.622 14.229 1.00 0.00 C ATOM 32 C GLY A 4 -1.577 8.868 13.797 1.00 0.00 C ATOM 33 O GLY A 4 -1.995 9.559 12.867 1.00 0.00 O ATOM 0 H GLY A 4 -3.136 7.046 12.387 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.710 7.766 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.627 6.783 14.272 1.00 0.00 H new ATOM 37 N SER A 5 -0.470 9.159 14.473 1.00 0.00 N ATOM 38 CA SER A 5 0.333 10.334 14.157 1.00 0.00 C ATOM 39 C SER A 5 1.815 9.978 14.091 1.00 0.00 C ATOM 40 O SER A 5 2.289 9.109 14.823 1.00 0.00 O ATOM 41 CB SER A 5 0.106 11.429 15.201 1.00 0.00 C ATOM 42 OG SER A 5 -1.236 11.884 15.179 1.00 0.00 O ATOM 0 H SER A 5 -0.109 8.597 15.243 1.00 0.00 H new ATOM 0 HA SER A 5 0.022 10.703 13.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.347 11.046 16.193 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.780 12.264 15.009 1.00 0.00 H new ATOM 0 HG SER A 5 -1.356 12.582 15.856 1.00 0.00 H new ATOM 48 N SER A 6 2.542 10.657 13.210 1.00 0.00 N ATOM 49 CA SER A 6 3.970 10.411 13.044 1.00 0.00 C ATOM 50 C SER A 6 4.789 11.566 13.612 1.00 0.00 C ATOM 51 O SER A 6 4.239 12.573 14.055 1.00 0.00 O ATOM 52 CB SER A 6 4.306 10.210 11.566 1.00 0.00 C ATOM 53 OG SER A 6 3.468 9.228 10.981 1.00 0.00 O ATOM 0 H SER A 6 2.166 11.382 12.600 1.00 0.00 H new ATOM 0 HA SER A 6 4.224 9.504 13.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.193 11.154 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.349 9.910 11.465 1.00 0.00 H new ATOM 0 HG SER A 6 3.702 9.120 10.036 1.00 0.00 H new ATOM 59 N GLY A 7 6.110 11.411 13.594 1.00 0.00 N ATOM 60 CA GLY A 7 6.985 12.448 14.109 1.00 0.00 C ATOM 61 C GLY A 7 8.332 12.468 13.414 1.00 0.00 C ATOM 62 O GLY A 7 9.354 12.146 14.018 1.00 0.00 O ATOM 0 H GLY A 7 6.589 10.586 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.503 13.418 13.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.133 12.296 15.178 1.00 0.00 H new ATOM 66 N MET A 8 8.332 12.846 12.140 1.00 0.00 N ATOM 67 CA MET A 8 9.564 12.906 11.361 1.00 0.00 C ATOM 68 C MET A 8 9.512 14.046 10.349 1.00 0.00 C ATOM 69 O MET A 8 8.452 14.617 10.097 1.00 0.00 O ATOM 70 CB MET A 8 9.802 11.578 10.640 1.00 0.00 C ATOM 71 CG MET A 8 9.957 10.394 11.581 1.00 0.00 C ATOM 72 SD MET A 8 9.666 8.814 10.763 1.00 0.00 S ATOM 73 CE MET A 8 11.331 8.376 10.271 1.00 0.00 C ATOM 0 H MET A 8 7.494 13.115 11.625 1.00 0.00 H new ATOM 0 HA MET A 8 10.390 13.091 12.048 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.969 11.387 9.963 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.698 11.663 10.026 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.962 10.400 12.004 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.260 10.502 12.412 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.317 7.418 9.751 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.728 9.144 9.607 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.963 8.299 11.155 1.00 0.00 H new ATOM 83 N ALA A 9 10.664 14.371 9.771 1.00 0.00 N ATOM 84 CA ALA A 9 10.749 15.441 8.785 1.00 0.00 C ATOM 85 C ALA A 9 9.915 15.117 7.550 1.00 0.00 C ATOM 86 O ALA A 9 9.386 14.014 7.420 1.00 0.00 O ATOM 87 CB ALA A 9 12.199 15.686 8.396 1.00 0.00 C ATOM 0 H ALA A 9 11.551 13.908 9.969 1.00 0.00 H new ATOM 0 HA ALA A 9 10.347 16.349 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.248 16.488 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.770 15.971 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.620 14.775 7.970 1.00 0.00 H new ATOM 93 N GLU A 10 9.802 16.086 6.647 1.00 0.00 N ATOM 94 CA GLU A 10 9.030 15.903 5.424 1.00 0.00 C ATOM 95 C GLU A 10 9.942 15.542 4.254 1.00 0.00 C ATOM 96 O GLU A 10 10.489 16.420 3.586 1.00 0.00 O ATOM 97 CB GLU A 10 8.242 17.172 5.097 1.00 0.00 C ATOM 98 CG GLU A 10 6.882 17.235 5.772 1.00 0.00 C ATOM 99 CD GLU A 10 6.984 17.360 7.279 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.435 16.391 7.925 1.00 0.00 O ATOM 101 OE2 GLU A 10 6.612 18.426 7.813 1.00 0.00 O ATOM 0 H GLU A 10 10.235 17.005 6.739 1.00 0.00 H new ATOM 0 HA GLU A 10 8.332 15.082 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.828 18.041 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.106 17.237 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.324 18.084 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.315 16.338 5.523 1.00 0.00 H new ATOM 108 N SER A 11 10.101 14.245 4.014 1.00 0.00 N ATOM 109 CA SER A 11 10.950 13.767 2.928 1.00 0.00 C ATOM 110 C SER A 11 10.119 13.066 1.857 1.00 0.00 C ATOM 111 O SER A 11 10.325 13.274 0.662 1.00 0.00 O ATOM 112 CB SER A 11 12.016 12.812 3.469 1.00 0.00 C ATOM 113 OG SER A 11 11.454 11.552 3.795 1.00 0.00 O ATOM 0 H SER A 11 9.654 13.506 4.556 1.00 0.00 H new ATOM 0 HA SER A 11 11.440 14.629 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.803 12.682 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.482 13.246 4.354 1.00 0.00 H new ATOM 0 HG SER A 11 12.156 10.959 4.137 1.00 0.00 H new ATOM 119 N SER A 12 9.179 12.236 2.296 1.00 0.00 N ATOM 120 CA SER A 12 8.318 11.500 1.376 1.00 0.00 C ATOM 121 C SER A 12 7.040 12.281 1.087 1.00 0.00 C ATOM 122 O SER A 12 6.061 12.187 1.829 1.00 0.00 O ATOM 123 CB SER A 12 7.972 10.128 1.955 1.00 0.00 C ATOM 124 OG SER A 12 9.144 9.394 2.265 1.00 0.00 O ATOM 0 H SER A 12 8.994 12.056 3.283 1.00 0.00 H new ATOM 0 HA SER A 12 8.859 11.364 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.368 10.251 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.368 9.570 1.239 1.00 0.00 H new ATOM 0 HG SER A 12 8.895 8.521 2.635 1.00 0.00 H new ATOM 130 N ASP A 13 7.055 13.050 0.005 1.00 0.00 N ATOM 131 CA ASP A 13 5.897 13.847 -0.384 1.00 0.00 C ATOM 132 C ASP A 13 4.957 13.040 -1.275 1.00 0.00 C ATOM 133 O ASP A 13 4.040 13.589 -1.885 1.00 0.00 O ATOM 134 CB ASP A 13 6.345 15.116 -1.111 1.00 0.00 C ATOM 135 CG ASP A 13 7.508 14.865 -2.050 1.00 0.00 C ATOM 136 OD1 ASP A 13 7.551 13.779 -2.666 1.00 0.00 O ATOM 137 OD2 ASP A 13 8.376 15.755 -2.169 1.00 0.00 O ATOM 0 H ASP A 13 7.857 13.139 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 13 5.359 14.128 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.506 15.523 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.630 15.870 -0.377 1.00 0.00 H new ATOM 142 N LYS A 14 5.192 11.734 -1.345 1.00 0.00 N ATOM 143 CA LYS A 14 4.368 10.851 -2.160 1.00 0.00 C ATOM 144 C LYS A 14 2.891 11.009 -1.811 1.00 0.00 C ATOM 145 O LYS A 14 2.534 11.767 -0.908 1.00 0.00 O ATOM 146 CB LYS A 14 4.796 9.395 -1.964 1.00 0.00 C ATOM 147 CG LYS A 14 6.285 9.168 -2.156 1.00 0.00 C ATOM 148 CD LYS A 14 6.571 7.787 -2.721 1.00 0.00 C ATOM 149 CE LYS A 14 8.060 7.573 -2.946 1.00 0.00 C ATOM 150 NZ LYS A 14 8.444 6.142 -2.797 1.00 0.00 N ATOM 0 H LYS A 14 5.947 11.264 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 14 4.508 11.127 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.514 9.074 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.248 8.766 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.686 9.927 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.798 9.285 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.193 7.028 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.038 7.661 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.330 7.919 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.625 8.176 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.434 6.016 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.337 5.856 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.829 5.554 -3.395 1.00 0.00 H new ATOM 164 N LEU A 15 2.037 10.289 -2.531 1.00 0.00 N ATOM 165 CA LEU A 15 0.599 10.348 -2.296 1.00 0.00 C ATOM 166 C LEU A 15 0.075 9.009 -1.788 1.00 0.00 C ATOM 167 O LEU A 15 -0.703 8.957 -0.835 1.00 0.00 O ATOM 168 CB LEU A 15 -0.132 10.741 -3.581 1.00 0.00 C ATOM 169 CG LEU A 15 -0.263 12.241 -3.848 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.286 12.517 -5.343 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.515 12.793 -3.182 1.00 0.00 C ATOM 0 H LEU A 15 2.316 9.658 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 15 0.411 11.103 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.388 10.286 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.132 10.309 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 15 0.604 12.744 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.380 13.589 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.639 12.157 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.134 12.002 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.593 13.862 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.393 12.285 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.457 12.629 -2.106 1.00 0.00 H new ATOM 183 N TYR A 16 0.507 7.929 -2.428 1.00 0.00 N ATOM 184 CA TYR A 16 0.081 6.589 -2.041 1.00 0.00 C ATOM 185 C TYR A 16 1.177 5.875 -1.256 1.00 0.00 C ATOM 186 O TYR A 16 2.353 6.229 -1.346 1.00 0.00 O ATOM 187 CB TYR A 16 -0.290 5.772 -3.280 1.00 0.00 C ATOM 188 CG TYR A 16 -1.327 6.437 -4.156 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.610 6.684 -3.682 1.00 0.00 C ATOM 190 CD2 TYR A 16 -1.025 6.819 -5.457 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.561 7.291 -4.479 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.969 7.428 -6.261 1.00 0.00 C ATOM 193 CZ TYR A 16 -3.236 7.661 -5.768 1.00 0.00 C ATOM 194 OH TYR A 16 -4.180 8.267 -6.565 1.00 0.00 O ATOM 0 H TYR A 16 1.152 7.955 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.796 6.684 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.609 5.592 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.664 4.798 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.868 6.396 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.034 6.637 -5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.554 7.475 -4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.716 7.720 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.790 8.464 -7.442 1.00 0.00 H new ATOM 204 N ARG A 17 0.782 4.866 -0.487 1.00 0.00 N ATOM 205 CA ARG A 17 1.730 4.101 0.315 1.00 0.00 C ATOM 206 C ARG A 17 1.253 2.662 0.494 1.00 0.00 C ATOM 207 O ARG A 17 0.308 2.398 1.238 1.00 0.00 O ATOM 208 CB ARG A 17 1.922 4.759 1.683 1.00 0.00 C ATOM 209 CG ARG A 17 3.274 4.470 2.314 1.00 0.00 C ATOM 210 CD ARG A 17 3.323 4.932 3.762 1.00 0.00 C ATOM 211 NE ARG A 17 4.686 5.227 4.196 1.00 0.00 N ATOM 212 CZ ARG A 17 5.268 6.410 4.034 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.610 7.403 3.451 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.511 6.602 4.455 1.00 0.00 N ATOM 0 H ARG A 17 -0.187 4.559 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 17 2.684 4.087 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.803 5.837 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.136 4.415 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.478 3.400 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.057 4.971 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.704 5.822 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.897 4.160 4.403 1.00 0.00 H new ATOM 0 HE ARG A 17 5.220 4.485 4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.654 7.260 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.060 8.310 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.021 5.841 4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.957 7.511 4.330 1.00 0.00 H new ATOM 228 N VAL A 18 1.913 1.736 -0.193 1.00 0.00 N ATOM 229 CA VAL A 18 1.558 0.324 -0.110 1.00 0.00 C ATOM 230 C VAL A 18 2.600 -0.459 0.680 1.00 0.00 C ATOM 231 O VAL A 18 3.802 -0.246 0.521 1.00 0.00 O ATOM 232 CB VAL A 18 1.414 -0.302 -1.510 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.775 -0.438 -2.177 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.717 -1.651 -1.421 1.00 0.00 C ATOM 0 H VAL A 18 2.697 1.938 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 18 0.599 0.269 0.405 1.00 0.00 H new ATOM 0 HB VAL A 18 0.800 0.358 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.653 -0.882 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.232 0.547 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.416 -1.076 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.624 -2.079 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.302 -2.322 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.275 -1.520 -0.988 1.00 0.00 H new ATOM 244 N GLU A 19 2.131 -1.367 1.530 1.00 0.00 N ATOM 245 CA GLU A 19 3.024 -2.182 2.346 1.00 0.00 C ATOM 246 C GLU A 19 2.237 -3.219 3.143 1.00 0.00 C ATOM 247 O GLU A 19 1.006 -3.199 3.164 1.00 0.00 O ATOM 248 CB GLU A 19 3.832 -1.297 3.297 1.00 0.00 C ATOM 249 CG GLU A 19 3.005 -0.700 4.423 1.00 0.00 C ATOM 250 CD GLU A 19 3.849 0.063 5.425 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.303 1.178 5.093 1.00 0.00 O ATOM 252 OE2 GLU A 19 4.055 -0.455 6.543 1.00 0.00 O ATOM 0 H GLU A 19 1.139 -1.557 1.672 1.00 0.00 H new ATOM 0 HA GLU A 19 3.709 -2.705 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.643 -1.885 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.291 -0.489 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.254 -0.031 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.469 -1.498 4.938 1.00 0.00 H new ATOM 259 N TYR A 20 2.957 -4.125 3.795 1.00 0.00 N ATOM 260 CA TYR A 20 2.328 -5.172 4.591 1.00 0.00 C ATOM 261 C TYR A 20 1.782 -4.608 5.900 1.00 0.00 C ATOM 262 O TYR A 20 2.533 -4.359 6.842 1.00 0.00 O ATOM 263 CB TYR A 20 3.329 -6.291 4.883 1.00 0.00 C ATOM 264 CG TYR A 20 4.092 -6.755 3.663 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.422 -7.169 2.518 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.481 -6.780 3.654 1.00 0.00 C ATOM 267 CE1 TYR A 20 4.114 -7.595 1.400 1.00 0.00 C ATOM 268 CE2 TYR A 20 6.181 -7.203 2.541 1.00 0.00 C ATOM 269 CZ TYR A 20 5.493 -7.609 1.417 1.00 0.00 C ATOM 270 OH TYR A 20 6.187 -8.033 0.306 1.00 0.00 O ATOM 0 H TYR A 20 3.977 -4.155 3.788 1.00 0.00 H new ATOM 0 HA TYR A 20 1.496 -5.579 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.038 -5.945 5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.797 -7.140 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.342 -7.158 2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.023 -6.463 4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.578 -7.915 0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.261 -7.216 2.551 1.00 0.00 H new ATOM 0 HH TYR A 20 5.584 -8.058 -0.466 1.00 0.00 H new ATOM 280 N ALA A 21 0.469 -4.411 5.949 1.00 0.00 N ATOM 281 CA ALA A 21 -0.179 -3.879 7.141 1.00 0.00 C ATOM 282 C ALA A 21 0.524 -4.356 8.407 1.00 0.00 C ATOM 283 O ALA A 21 0.743 -5.553 8.596 1.00 0.00 O ATOM 284 CB ALA A 21 -1.647 -4.281 7.168 1.00 0.00 C ATOM 0 H ALA A 21 -0.167 -4.612 5.177 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.111 -2.792 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.119 -3.877 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.149 -3.886 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.726 -5.368 7.175 1.00 0.00 H new ATOM 290 N LYS A 22 0.878 -3.412 9.273 1.00 0.00 N ATOM 291 CA LYS A 22 1.557 -3.735 10.523 1.00 0.00 C ATOM 292 C LYS A 22 0.643 -4.530 11.449 1.00 0.00 C ATOM 293 O LYS A 22 1.053 -5.538 12.026 1.00 0.00 O ATOM 294 CB LYS A 22 2.019 -2.454 11.221 1.00 0.00 C ATOM 295 CG LYS A 22 3.134 -2.679 12.228 1.00 0.00 C ATOM 296 CD LYS A 22 2.586 -3.099 13.582 1.00 0.00 C ATOM 297 CE LYS A 22 2.409 -1.904 14.507 1.00 0.00 C ATOM 298 NZ LYS A 22 1.121 -1.198 14.260 1.00 0.00 N ATOM 0 H LYS A 22 0.706 -2.417 9.132 1.00 0.00 H new ATOM 0 HA LYS A 22 2.427 -4.348 10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.358 -1.742 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.168 -2.000 11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.813 -3.446 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.716 -1.764 12.338 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.628 -3.602 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.262 -3.819 14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.447 -2.238 15.544 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.237 -1.209 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.899 -0.587 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.203 -0.617 13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.361 -1.896 14.135 1.00 0.00 H new ATOM 312 N SER A 23 -0.597 -4.072 11.586 1.00 0.00 N ATOM 313 CA SER A 23 -1.568 -4.740 12.444 1.00 0.00 C ATOM 314 C SER A 23 -2.984 -4.564 11.902 1.00 0.00 C ATOM 315 O SER A 23 -3.196 -3.887 10.897 1.00 0.00 O ATOM 316 CB SER A 23 -1.484 -4.190 13.870 1.00 0.00 C ATOM 317 OG SER A 23 -1.967 -2.859 13.932 1.00 0.00 O ATOM 0 H SER A 23 -0.953 -3.241 11.114 1.00 0.00 H new ATOM 0 HA SER A 23 -1.332 -5.804 12.458 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.064 -4.822 14.542 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.451 -4.222 14.215 1.00 0.00 H new ATOM 0 HG SER A 23 -2.785 -2.833 14.471 1.00 0.00 H new ATOM 323 N GLY A 24 -3.950 -5.181 12.576 1.00 0.00 N ATOM 324 CA GLY A 24 -5.333 -5.081 12.148 1.00 0.00 C ATOM 325 C GLY A 24 -6.069 -3.942 12.825 1.00 0.00 C ATOM 326 O GLY A 24 -7.204 -4.105 13.272 1.00 0.00 O ATOM 0 H GLY A 24 -3.799 -5.748 13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.366 -4.940 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.845 -6.019 12.363 1.00 0.00 H new ATOM 330 N ARG A 25 -5.420 -2.784 12.902 1.00 0.00 N ATOM 331 CA ARG A 25 -6.019 -1.613 13.532 1.00 0.00 C ATOM 332 C ARG A 25 -6.354 -0.548 12.492 1.00 0.00 C ATOM 333 O ARG A 25 -6.346 0.646 12.788 1.00 0.00 O ATOM 334 CB ARG A 25 -5.073 -1.034 14.585 1.00 0.00 C ATOM 335 CG ARG A 25 -3.912 -0.251 13.995 1.00 0.00 C ATOM 336 CD ARG A 25 -3.473 0.875 14.919 1.00 0.00 C ATOM 337 NE ARG A 25 -2.210 1.471 14.493 1.00 0.00 N ATOM 338 CZ ARG A 25 -1.847 2.714 14.789 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.648 3.488 15.509 1.00 0.00 N ATOM 340 NH2 ARG A 25 -0.681 3.185 14.366 1.00 0.00 N ATOM 0 H ARG A 25 -4.480 -2.632 12.536 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.944 -1.925 14.017 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.639 -0.382 15.251 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.679 -1.848 15.194 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.073 -0.923 13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.203 0.162 13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.246 1.643 14.946 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.369 0.491 15.934 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.571 0.902 13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.545 3.129 15.837 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.367 4.442 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.062 2.592 13.813 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.404 4.140 14.594 1.00 0.00 H new ATOM 354 N ALA A 26 -6.646 -0.989 11.273 1.00 0.00 N ATOM 355 CA ALA A 26 -6.984 -0.074 10.190 1.00 0.00 C ATOM 356 C ALA A 26 -8.361 -0.388 9.616 1.00 0.00 C ATOM 357 O ALA A 26 -8.728 -1.553 9.457 1.00 0.00 O ATOM 358 CB ALA A 26 -5.928 -0.137 9.097 1.00 0.00 C ATOM 0 H ALA A 26 -6.655 -1.975 11.011 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.010 0.937 10.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.193 0.551 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.959 0.144 9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.874 -1.151 8.702 1.00 0.00 H new ATOM 364 N SER A 27 -9.121 0.658 9.307 1.00 0.00 N ATOM 365 CA SER A 27 -10.461 0.493 8.754 1.00 0.00 C ATOM 366 C SER A 27 -10.494 0.891 7.282 1.00 0.00 C ATOM 367 O SER A 27 -9.760 1.780 6.850 1.00 0.00 O ATOM 368 CB SER A 27 -11.467 1.332 9.543 1.00 0.00 C ATOM 369 OG SER A 27 -11.037 2.678 9.651 1.00 0.00 O ATOM 0 H SER A 27 -8.832 1.628 9.430 1.00 0.00 H new ATOM 0 HA SER A 27 -10.734 -0.559 8.834 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.439 1.296 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.597 0.908 10.539 1.00 0.00 H new ATOM 0 HG SER A 27 -11.699 3.193 10.158 1.00 0.00 H new ATOM 375 N CYS A 28 -11.351 0.225 6.515 1.00 0.00 N ATOM 376 CA CYS A 28 -11.481 0.506 5.090 1.00 0.00 C ATOM 377 C CYS A 28 -12.562 1.554 4.840 1.00 0.00 C ATOM 378 O CYS A 28 -13.669 1.459 5.371 1.00 0.00 O ATOM 379 CB CYS A 28 -11.810 -0.776 4.324 1.00 0.00 C ATOM 380 SG CYS A 28 -12.053 -0.532 2.535 1.00 0.00 S ATOM 0 H CYS A 28 -11.966 -0.513 6.857 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.529 0.899 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.004 -1.494 4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.713 -1.217 4.746 1.00 0.00 H new ATOM 385 N LYS A 29 -12.234 2.551 4.026 1.00 0.00 N ATOM 386 CA LYS A 29 -13.176 3.617 3.702 1.00 0.00 C ATOM 387 C LYS A 29 -13.855 3.353 2.362 1.00 0.00 C ATOM 388 O LYS A 29 -14.176 4.284 1.623 1.00 0.00 O ATOM 389 CB LYS A 29 -12.457 4.967 3.665 1.00 0.00 C ATOM 390 CG LYS A 29 -11.804 5.345 4.983 1.00 0.00 C ATOM 391 CD LYS A 29 -12.803 5.975 5.939 1.00 0.00 C ATOM 392 CE LYS A 29 -12.897 7.480 5.735 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.866 7.835 4.661 1.00 0.00 N ATOM 0 H LYS A 29 -11.322 2.644 3.578 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.941 3.641 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.695 4.942 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.171 5.742 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.369 4.457 5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.986 6.042 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.784 5.525 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.508 5.764 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.199 7.955 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.913 7.874 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.274 8.771 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.376 7.856 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.626 7.126 4.631 1.00 0.00 H new ATOM 407 N LYS A 30 -14.073 2.079 2.055 1.00 0.00 N ATOM 408 CA LYS A 30 -14.717 1.692 0.805 1.00 0.00 C ATOM 409 C LYS A 30 -15.818 0.667 1.055 1.00 0.00 C ATOM 410 O LYS A 30 -16.951 0.834 0.602 1.00 0.00 O ATOM 411 CB LYS A 30 -13.684 1.120 -0.169 1.00 0.00 C ATOM 412 CG LYS A 30 -14.299 0.503 -1.413 1.00 0.00 C ATOM 413 CD LYS A 30 -14.721 1.566 -2.413 1.00 0.00 C ATOM 414 CE LYS A 30 -15.870 1.084 -3.287 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.221 2.079 -4.338 1.00 0.00 N ATOM 0 H LYS A 30 -13.813 1.296 2.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.167 2.582 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.000 1.914 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.091 0.365 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.580 -0.171 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.164 -0.098 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.021 2.469 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.872 1.834 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.597 0.139 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.743 0.890 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.008 1.714 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.506 2.973 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.395 2.246 -4.948 1.00 0.00 H new ATOM 429 N CYS A 31 -15.479 -0.394 1.780 1.00 0.00 N ATOM 430 CA CYS A 31 -16.438 -1.447 2.091 1.00 0.00 C ATOM 431 C CYS A 31 -16.746 -1.477 3.586 1.00 0.00 C ATOM 432 O CYS A 31 -17.359 -2.421 4.085 1.00 0.00 O ATOM 433 CB CYS A 31 -15.899 -2.806 1.643 1.00 0.00 C ATOM 434 SG CYS A 31 -14.391 -3.333 2.518 1.00 0.00 S ATOM 0 H CYS A 31 -14.546 -0.547 2.163 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.361 -1.235 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.674 -3.559 1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.691 -2.768 0.574 1.00 0.00 H new ATOM 439 N SER A 32 -16.318 -0.437 4.294 1.00 0.00 N ATOM 440 CA SER A 32 -16.544 -0.346 5.731 1.00 0.00 C ATOM 441 C SER A 32 -16.185 -1.658 6.422 1.00 0.00 C ATOM 442 O SER A 32 -17.003 -2.241 7.133 1.00 0.00 O ATOM 443 CB SER A 32 -18.004 0.012 6.017 1.00 0.00 C ATOM 444 OG SER A 32 -18.130 0.690 7.255 1.00 0.00 O ATOM 0 H SER A 32 -15.813 0.354 3.896 1.00 0.00 H new ATOM 0 HA SER A 32 -15.900 0.440 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.392 0.639 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.608 -0.895 6.033 1.00 0.00 H new ATOM 0 HG SER A 32 -19.072 0.909 7.414 1.00 0.00 H new ATOM 450 N GLU A 33 -14.956 -2.115 6.208 1.00 0.00 N ATOM 451 CA GLU A 33 -14.488 -3.359 6.809 1.00 0.00 C ATOM 452 C GLU A 33 -13.144 -3.157 7.502 1.00 0.00 C ATOM 453 O GLU A 33 -12.533 -2.093 7.396 1.00 0.00 O ATOM 454 CB GLU A 33 -14.367 -4.452 5.745 1.00 0.00 C ATOM 455 CG GLU A 33 -15.706 -5.006 5.287 1.00 0.00 C ATOM 456 CD GLU A 33 -15.599 -6.419 4.748 1.00 0.00 C ATOM 457 OE1 GLU A 33 -14.794 -6.642 3.820 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.320 -7.303 5.256 1.00 0.00 O ATOM 0 H GLU A 33 -14.266 -1.643 5.623 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.219 -3.669 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.835 -4.050 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.762 -5.268 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.406 -4.992 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.119 -4.357 4.515 1.00 0.00 H new ATOM 465 N SER A 34 -12.689 -4.185 8.210 1.00 0.00 N ATOM 466 CA SER A 34 -11.419 -4.120 8.924 1.00 0.00 C ATOM 467 C SER A 34 -10.303 -4.762 8.106 1.00 0.00 C ATOM 468 O SER A 34 -10.450 -5.874 7.599 1.00 0.00 O ATOM 469 CB SER A 34 -11.537 -4.815 10.282 1.00 0.00 C ATOM 470 OG SER A 34 -12.540 -4.211 11.079 1.00 0.00 O ATOM 0 H SER A 34 -13.181 -5.074 8.305 1.00 0.00 H new ATOM 0 HA SER A 34 -11.172 -3.070 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.771 -5.869 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.580 -4.770 10.801 1.00 0.00 H new ATOM 0 HG SER A 34 -12.597 -4.675 11.941 1.00 0.00 H new ATOM 476 N ILE A 35 -9.186 -4.052 7.982 1.00 0.00 N ATOM 477 CA ILE A 35 -8.044 -4.552 7.227 1.00 0.00 C ATOM 478 C ILE A 35 -7.264 -5.588 8.031 1.00 0.00 C ATOM 479 O ILE A 35 -6.880 -5.359 9.178 1.00 0.00 O ATOM 480 CB ILE A 35 -7.093 -3.410 6.823 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.820 -2.403 5.930 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.868 -3.968 6.113 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.285 -0.993 6.048 1.00 0.00 C ATOM 0 H ILE A 35 -9.048 -3.129 8.395 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.441 -5.019 6.326 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.763 -2.895 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.741 -2.727 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.880 -2.403 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.205 -3.149 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.341 -4.651 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.180 -4.504 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.848 -0.334 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.389 -0.649 7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.232 -0.978 5.765 1.00 0.00 H new ATOM 495 N PRO A 36 -7.022 -6.754 7.415 1.00 0.00 N ATOM 496 CA PRO A 36 -6.284 -7.848 8.054 1.00 0.00 C ATOM 497 C PRO A 36 -4.804 -7.523 8.232 1.00 0.00 C ATOM 498 O PRO A 36 -4.214 -6.807 7.422 1.00 0.00 O ATOM 499 CB PRO A 36 -6.461 -9.013 7.078 1.00 0.00 C ATOM 500 CG PRO A 36 -6.703 -8.368 5.757 1.00 0.00 C ATOM 501 CD PRO A 36 -7.450 -7.096 6.048 1.00 0.00 C ATOM 0 HA PRO A 36 -6.652 -8.056 9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.574 -9.646 7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.298 -9.648 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.763 -8.160 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.283 -9.021 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.195 -6.309 5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.529 -7.241 5.989 1.00 0.00 H new ATOM 509 N LYS A 37 -4.211 -8.052 9.296 1.00 0.00 N ATOM 510 CA LYS A 37 -2.799 -7.820 9.580 1.00 0.00 C ATOM 511 C LYS A 37 -1.914 -8.607 8.619 1.00 0.00 C ATOM 512 O LYS A 37 -2.298 -9.675 8.140 1.00 0.00 O ATOM 513 CB LYS A 37 -2.477 -8.212 11.024 1.00 0.00 C ATOM 514 CG LYS A 37 -0.989 -8.330 11.304 1.00 0.00 C ATOM 515 CD LYS A 37 -0.721 -9.157 12.551 1.00 0.00 C ATOM 516 CE LYS A 37 -0.795 -10.647 12.257 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.181 -11.458 13.345 1.00 0.00 N ATOM 0 H LYS A 37 -4.686 -8.645 9.977 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.597 -6.758 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.907 -7.471 11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.957 -9.164 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.492 -8.788 10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.561 -7.335 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.264 -8.912 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.447 -8.901 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.837 -10.941 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.287 -10.857 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.251 -12.468 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.820 -11.196 13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.682 -11.277 14.238 1.00 0.00 H new ATOM 531 N ASP A 38 -0.729 -8.075 8.342 1.00 0.00 N ATOM 532 CA ASP A 38 0.211 -8.729 7.440 1.00 0.00 C ATOM 533 C ASP A 38 -0.422 -8.966 6.073 1.00 0.00 C ATOM 534 O ASP A 38 -0.290 -10.045 5.495 1.00 0.00 O ATOM 535 CB ASP A 38 0.681 -10.057 8.035 1.00 0.00 C ATOM 536 CG ASP A 38 1.884 -9.891 8.943 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.897 -8.930 9.740 1.00 0.00 O ATOM 538 OD2 ASP A 38 2.813 -10.723 8.857 1.00 0.00 O ATOM 0 H ASP A 38 -0.396 -7.192 8.729 1.00 0.00 H new ATOM 0 HA ASP A 38 1.071 -8.072 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.136 -10.509 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.931 -10.745 7.228 1.00 0.00 H new ATOM 543 N SER A 39 -1.110 -7.950 5.561 1.00 0.00 N ATOM 544 CA SER A 39 -1.769 -8.050 4.264 1.00 0.00 C ATOM 545 C SER A 39 -1.397 -6.867 3.374 1.00 0.00 C ATOM 546 O SER A 39 -1.165 -5.759 3.860 1.00 0.00 O ATOM 547 CB SER A 39 -3.287 -8.111 4.442 1.00 0.00 C ATOM 548 OG SER A 39 -3.801 -6.863 4.874 1.00 0.00 O ATOM 0 H SER A 39 -1.225 -7.049 6.024 1.00 0.00 H new ATOM 0 HA SER A 39 -1.430 -8.967 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.756 -8.394 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.540 -8.883 5.168 1.00 0.00 H new ATOM 0 HG SER A 39 -4.165 -6.955 5.779 1.00 0.00 H new ATOM 554 N LEU A 40 -1.343 -7.110 2.070 1.00 0.00 N ATOM 555 CA LEU A 40 -1.000 -6.066 1.110 1.00 0.00 C ATOM 556 C LEU A 40 -2.109 -5.022 1.022 1.00 0.00 C ATOM 557 O LEU A 40 -3.169 -5.275 0.449 1.00 0.00 O ATOM 558 CB LEU A 40 -0.748 -6.677 -0.270 1.00 0.00 C ATOM 559 CG LEU A 40 -0.032 -5.780 -1.280 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.398 -5.512 -0.836 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.053 -6.413 -2.664 1.00 0.00 C ATOM 0 H LEU A 40 -1.532 -8.021 1.652 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.090 -5.575 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.161 -7.586 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.707 -6.975 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.560 -4.828 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.892 -4.872 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.391 -5.016 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.937 -6.456 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.461 -5.761 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.450 -7.379 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.085 -6.553 -2.985 1.00 0.00 H new ATOM 573 N ARG A 41 -1.856 -3.848 1.591 1.00 0.00 N ATOM 574 CA ARG A 41 -2.832 -2.766 1.576 1.00 0.00 C ATOM 575 C ARG A 41 -2.204 -1.475 1.057 1.00 0.00 C ATOM 576 O ARG A 41 -0.992 -1.399 0.858 1.00 0.00 O ATOM 577 CB ARG A 41 -3.399 -2.542 2.979 1.00 0.00 C ATOM 578 CG ARG A 41 -2.372 -2.029 3.976 1.00 0.00 C ATOM 579 CD ARG A 41 -3.039 -1.463 5.220 1.00 0.00 C ATOM 580 NE ARG A 41 -2.063 -1.085 6.239 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.345 -1.015 7.536 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.566 -1.297 7.968 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.404 -0.664 8.402 1.00 0.00 N ATOM 0 H ARG A 41 -0.983 -3.622 2.068 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.643 -3.051 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.222 -1.830 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.814 -3.480 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.701 -2.840 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.761 -1.258 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.635 -0.592 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.726 -2.203 5.632 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.114 -0.863 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.292 -1.568 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.780 -1.243 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.463 -0.448 8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.621 -0.610 9.397 1.00 0.00 H new ATOM 597 N MET A 42 -3.038 -0.463 0.841 1.00 0.00 N ATOM 598 CA MET A 42 -2.564 0.824 0.346 1.00 0.00 C ATOM 599 C MET A 42 -3.041 1.961 1.244 1.00 0.00 C ATOM 600 O MET A 42 -3.927 1.775 2.078 1.00 0.00 O ATOM 601 CB MET A 42 -3.048 1.054 -1.087 1.00 0.00 C ATOM 602 CG MET A 42 -2.609 -0.031 -2.058 1.00 0.00 C ATOM 603 SD MET A 42 -3.171 0.276 -3.743 1.00 0.00 S ATOM 604 CE MET A 42 -1.757 1.142 -4.419 1.00 0.00 C ATOM 0 H MET A 42 -4.044 -0.509 1.001 1.00 0.00 H new ATOM 0 HA MET A 42 -1.474 0.809 0.356 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.136 1.113 -1.089 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.675 2.016 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.521 -0.102 -2.049 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.994 -0.993 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.643 0.886 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.908 2.217 -4.322 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.858 0.851 -3.875 1.00 0.00 H new ATOM 614 N ALA A 43 -2.448 3.137 1.068 1.00 0.00 N ATOM 615 CA ALA A 43 -2.814 4.304 1.862 1.00 0.00 C ATOM 616 C ALA A 43 -2.876 5.558 0.997 1.00 0.00 C ATOM 617 O ALA A 43 -2.161 5.673 0.001 1.00 0.00 O ATOM 618 CB ALA A 43 -1.828 4.496 3.004 1.00 0.00 C ATOM 0 H ALA A 43 -1.712 3.307 0.383 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.806 4.132 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.114 5.371 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.836 3.614 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.826 4.641 2.599 1.00 0.00 H new ATOM 624 N ILE A 44 -3.735 6.496 1.384 1.00 0.00 N ATOM 625 CA ILE A 44 -3.889 7.742 0.644 1.00 0.00 C ATOM 626 C ILE A 44 -3.776 8.949 1.569 1.00 0.00 C ATOM 627 O ILE A 44 -4.313 8.946 2.677 1.00 0.00 O ATOM 628 CB ILE A 44 -5.241 7.797 -0.091 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.387 6.596 -1.027 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.370 9.099 -0.867 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.779 6.439 -1.597 1.00 0.00 C ATOM 0 H ILE A 44 -4.334 6.416 2.205 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.084 7.774 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.041 7.757 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.677 6.697 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.121 5.689 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.331 9.123 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.306 9.941 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.565 9.168 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.808 5.568 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.492 6.306 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.041 7.330 -2.168 1.00 0.00 H new ATOM 643 N MET A 45 -3.077 9.979 1.106 1.00 0.00 N ATOM 644 CA MET A 45 -2.897 11.195 1.892 1.00 0.00 C ATOM 645 C MET A 45 -3.850 12.291 1.424 1.00 0.00 C ATOM 646 O MET A 45 -3.621 12.929 0.397 1.00 0.00 O ATOM 647 CB MET A 45 -1.451 11.683 1.791 1.00 0.00 C ATOM 648 CG MET A 45 -0.485 10.911 2.675 1.00 0.00 C ATOM 649 SD MET A 45 -0.259 11.677 4.292 1.00 0.00 S ATOM 650 CE MET A 45 -1.667 11.016 5.180 1.00 0.00 C ATOM 0 H MET A 45 -2.626 9.997 0.191 1.00 0.00 H new ATOM 0 HA MET A 45 -3.123 10.962 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.122 11.607 0.755 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.413 12.738 2.061 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.854 9.894 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.480 10.837 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.434 10.962 6.243 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.529 11.666 5.030 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.896 10.018 4.808 1.00 0.00 H new ATOM 660 N VAL A 46 -4.919 12.503 2.185 1.00 0.00 N ATOM 661 CA VAL A 46 -5.906 13.522 1.848 1.00 0.00 C ATOM 662 C VAL A 46 -6.032 14.554 2.963 1.00 0.00 C ATOM 663 O VAL A 46 -5.475 14.382 4.047 1.00 0.00 O ATOM 664 CB VAL A 46 -7.289 12.898 1.583 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.242 11.996 0.359 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.769 12.128 2.804 1.00 0.00 C ATOM 0 H VAL A 46 -5.124 11.983 3.038 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.557 14.013 0.939 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.999 13.701 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.228 11.564 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.945 12.580 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.519 11.197 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.748 11.694 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.060 11.333 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.844 12.805 3.655 1.00 0.00 H new ATOM 676 N GLN A 47 -6.767 15.627 2.688 1.00 0.00 N ATOM 677 CA GLN A 47 -6.965 16.688 3.669 1.00 0.00 C ATOM 678 C GLN A 47 -8.246 16.461 4.464 1.00 0.00 C ATOM 679 O GLN A 47 -9.278 16.087 3.906 1.00 0.00 O ATOM 680 CB GLN A 47 -7.017 18.050 2.974 1.00 0.00 C ATOM 681 CG GLN A 47 -6.932 19.226 3.934 1.00 0.00 C ATOM 682 CD GLN A 47 -6.685 20.542 3.224 1.00 0.00 C ATOM 683 OE1 GLN A 47 -6.625 20.596 1.995 1.00 0.00 O ATOM 684 NE2 GLN A 47 -6.542 21.614 3.995 1.00 0.00 N ATOM 0 H GLN A 47 -7.235 15.785 1.795 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.122 16.672 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.197 18.115 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.943 18.123 2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.859 19.293 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.130 19.048 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.599 21.524 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.375 22.527 3.573 1.00 0.00 H new ATOM 693 N SER A 48 -8.174 16.689 5.772 1.00 0.00 N ATOM 694 CA SER A 48 -9.327 16.506 6.645 1.00 0.00 C ATOM 695 C SER A 48 -10.135 17.795 6.756 1.00 0.00 C ATOM 696 O SER A 48 -9.601 18.872 7.025 1.00 0.00 O ATOM 697 CB SER A 48 -8.874 16.053 8.034 1.00 0.00 C ATOM 698 OG SER A 48 -9.965 15.556 8.790 1.00 0.00 O ATOM 0 H SER A 48 -7.329 17.001 6.250 1.00 0.00 H new ATOM 0 HA SER A 48 -9.963 15.736 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.112 15.279 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.414 16.889 8.560 1.00 0.00 H new ATOM 0 HG SER A 48 -9.748 15.599 9.745 1.00 0.00 H new ATOM 704 N PRO A 49 -11.455 17.686 6.545 1.00 0.00 N ATOM 705 CA PRO A 49 -12.366 18.832 6.616 1.00 0.00 C ATOM 706 C PRO A 49 -12.538 19.348 8.041 1.00 0.00 C ATOM 707 O PRO A 49 -13.314 20.270 8.287 1.00 0.00 O ATOM 708 CB PRO A 49 -13.687 18.268 6.088 1.00 0.00 C ATOM 709 CG PRO A 49 -13.610 16.805 6.359 1.00 0.00 C ATOM 710 CD PRO A 49 -12.159 16.434 6.220 1.00 0.00 C ATOM 0 HA PRO A 49 -11.994 19.685 6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.540 18.720 6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.805 18.468 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.978 16.573 7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.225 16.245 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.883 15.629 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.926 16.092 5.212 1.00 0.00 H new ATOM 718 N MET A 50 -11.809 18.746 8.975 1.00 0.00 N ATOM 719 CA MET A 50 -11.880 19.147 10.375 1.00 0.00 C ATOM 720 C MET A 50 -10.742 20.100 10.727 1.00 0.00 C ATOM 721 O MET A 50 -10.963 21.151 11.329 1.00 0.00 O ATOM 722 CB MET A 50 -11.830 17.917 11.283 1.00 0.00 C ATOM 723 CG MET A 50 -13.187 17.267 11.502 1.00 0.00 C ATOM 724 SD MET A 50 -13.993 16.806 9.957 1.00 0.00 S ATOM 725 CE MET A 50 -15.679 17.310 10.291 1.00 0.00 C ATOM 0 H MET A 50 -11.163 17.979 8.788 1.00 0.00 H new ATOM 0 HA MET A 50 -12.826 19.666 10.530 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.151 17.183 10.850 1.00 0.00 H new ATOM 0 HB3 MET A 50 -11.414 18.205 12.249 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.064 16.379 12.122 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.830 17.954 12.052 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.303 17.089 9.425 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.056 16.767 11.158 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.705 18.381 10.494 1.00 0.00 H new ATOM 735 N PHE A 51 -9.525 19.726 10.348 1.00 0.00 N ATOM 736 CA PHE A 51 -8.352 20.547 10.624 1.00 0.00 C ATOM 737 C PHE A 51 -7.565 20.819 9.346 1.00 0.00 C ATOM 738 O PHE A 51 -7.853 20.249 8.294 1.00 0.00 O ATOM 739 CB PHE A 51 -7.453 19.859 11.654 1.00 0.00 C ATOM 740 CG PHE A 51 -7.307 18.381 11.429 1.00 0.00 C ATOM 741 CD1 PHE A 51 -8.222 17.491 11.969 1.00 0.00 C ATOM 742 CD2 PHE A 51 -6.255 17.881 10.679 1.00 0.00 C ATOM 743 CE1 PHE A 51 -8.092 16.131 11.764 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.119 16.521 10.471 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.038 15.645 11.015 1.00 0.00 C ATOM 0 H PHE A 51 -9.325 18.859 9.849 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.693 21.500 11.029 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.466 20.321 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.860 20.028 12.651 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.047 17.865 12.557 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.533 18.561 10.252 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.813 15.449 12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.295 16.144 9.884 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.933 14.582 10.855 1.00 0.00 H new ATOM 755 N ASP A 52 -6.571 21.695 9.446 1.00 0.00 N ATOM 756 CA ASP A 52 -5.741 22.044 8.298 1.00 0.00 C ATOM 757 C ASP A 52 -4.623 21.024 8.106 1.00 0.00 C ATOM 758 O ASP A 52 -3.471 21.388 7.875 1.00 0.00 O ATOM 759 CB ASP A 52 -5.148 23.442 8.477 1.00 0.00 C ATOM 760 CG ASP A 52 -6.214 24.503 8.674 1.00 0.00 C ATOM 761 OD1 ASP A 52 -6.805 24.553 9.773 1.00 0.00 O ATOM 762 OD2 ASP A 52 -6.455 25.282 7.729 1.00 0.00 O ATOM 0 H ASP A 52 -6.320 22.176 10.310 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.372 22.037 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.477 23.442 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.547 23.693 7.603 1.00 0.00 H new ATOM 767 N GLY A 53 -4.972 19.745 8.205 1.00 0.00 N ATOM 768 CA GLY A 53 -3.987 18.692 8.040 1.00 0.00 C ATOM 769 C GLY A 53 -4.466 17.589 7.118 1.00 0.00 C ATOM 770 O GLY A 53 -5.413 17.774 6.355 1.00 0.00 O ATOM 0 H GLY A 53 -5.919 19.419 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.066 19.119 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.747 18.268 9.015 1.00 0.00 H new ATOM 774 N LYS A 54 -3.808 16.436 7.187 1.00 0.00 N ATOM 775 CA LYS A 54 -4.171 15.297 6.351 1.00 0.00 C ATOM 776 C LYS A 54 -4.293 14.027 7.187 1.00 0.00 C ATOM 777 O LYS A 54 -3.762 13.947 8.295 1.00 0.00 O ATOM 778 CB LYS A 54 -3.130 15.096 5.247 1.00 0.00 C ATOM 779 CG LYS A 54 -3.051 16.255 4.268 1.00 0.00 C ATOM 780 CD LYS A 54 -1.921 16.065 3.270 1.00 0.00 C ATOM 781 CE LYS A 54 -1.451 17.396 2.701 1.00 0.00 C ATOM 782 NZ LYS A 54 -0.578 18.131 3.657 1.00 0.00 N ATOM 0 H LYS A 54 -3.021 16.266 7.813 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.139 15.506 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.151 14.950 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.365 14.184 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.997 16.347 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.902 17.186 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.086 15.560 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.255 15.419 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.907 17.222 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.316 18.011 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.660 19.154 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.873 17.917 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.410 17.836 3.522 1.00 0.00 H new ATOM 796 N VAL A 55 -4.994 13.035 6.648 1.00 0.00 N ATOM 797 CA VAL A 55 -5.183 11.767 7.343 1.00 0.00 C ATOM 798 C VAL A 55 -4.978 10.587 6.399 1.00 0.00 C ATOM 799 O VAL A 55 -5.461 10.575 5.267 1.00 0.00 O ATOM 800 CB VAL A 55 -6.589 11.673 7.966 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.776 12.747 9.027 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.657 11.783 6.890 1.00 0.00 C ATOM 0 H VAL A 55 -5.441 13.085 5.732 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.438 11.727 8.137 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.690 10.700 8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.775 12.665 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.032 12.616 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.655 13.731 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.644 11.715 7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.560 12.740 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.534 10.973 6.171 1.00 0.00 H new ATOM 812 N PRO A 56 -4.244 9.570 6.875 1.00 0.00 N ATOM 813 CA PRO A 56 -3.959 8.365 6.090 1.00 0.00 C ATOM 814 C PRO A 56 -5.198 7.502 5.881 1.00 0.00 C ATOM 815 O PRO A 56 -5.824 7.053 6.842 1.00 0.00 O ATOM 816 CB PRO A 56 -2.928 7.622 6.944 1.00 0.00 C ATOM 817 CG PRO A 56 -3.180 8.090 8.335 1.00 0.00 C ATOM 818 CD PRO A 56 -3.638 9.517 8.216 1.00 0.00 C ATOM 0 HA PRO A 56 -3.609 8.606 5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.050 6.542 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.911 7.853 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.938 7.476 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.276 8.020 8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.358 9.774 8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.806 10.215 8.309 1.00 0.00 H new ATOM 826 N HIS A 57 -5.548 7.273 4.619 1.00 0.00 N ATOM 827 CA HIS A 57 -6.714 6.462 4.284 1.00 0.00 C ATOM 828 C HIS A 57 -6.290 5.102 3.738 1.00 0.00 C ATOM 829 O HIS A 57 -5.775 5.003 2.624 1.00 0.00 O ATOM 830 CB HIS A 57 -7.588 7.187 3.260 1.00 0.00 C ATOM 831 CG HIS A 57 -8.406 8.295 3.848 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.528 8.809 3.234 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.260 8.986 5.003 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.036 9.770 3.985 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.286 9.898 5.064 1.00 0.00 N ATOM 0 H HIS A 57 -5.041 7.637 3.812 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.291 6.304 5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.951 7.594 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.255 6.465 2.788 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.907 8.496 2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.482 8.846 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.916 10.352 3.755 1.00 0.00 H new ATOM 843 N TRP A 58 -6.509 4.058 4.529 1.00 0.00 N ATOM 844 CA TRP A 58 -6.149 2.704 4.124 1.00 0.00 C ATOM 845 C TRP A 58 -7.268 2.064 3.310 1.00 0.00 C ATOM 846 O TRP A 58 -8.434 2.097 3.706 1.00 0.00 O ATOM 847 CB TRP A 58 -5.841 1.847 5.353 1.00 0.00 C ATOM 848 CG TRP A 58 -4.720 2.387 6.187 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.829 3.057 7.373 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.320 2.305 5.898 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.581 3.396 7.838 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.639 2.945 6.952 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.576 1.752 4.853 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.251 3.047 6.988 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.198 1.853 4.890 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.547 2.496 5.952 1.00 0.00 C ATOM 0 H TRP A 58 -6.934 4.123 5.454 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.258 2.763 3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.738 1.771 5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.590 0.837 5.029 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.759 3.286 7.872 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.388 3.901 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.069 1.254 4.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.748 3.543 7.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.613 1.429 4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.531 2.558 5.953 1.00 0.00 H new ATOM 867 N TYR A 59 -6.907 1.481 2.172 1.00 0.00 N ATOM 868 CA TYR A 59 -7.882 0.835 1.301 1.00 0.00 C ATOM 869 C TYR A 59 -7.406 -0.554 0.887 1.00 0.00 C ATOM 870 O TYR A 59 -6.220 -0.766 0.631 1.00 0.00 O ATOM 871 CB TYR A 59 -8.135 1.691 0.059 1.00 0.00 C ATOM 872 CG TYR A 59 -8.970 2.922 0.332 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.354 2.838 0.432 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.376 4.168 0.490 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.121 3.960 0.680 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.135 5.295 0.740 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.507 5.186 0.833 1.00 0.00 C ATOM 878 OH TYR A 59 -11.267 6.305 1.082 1.00 0.00 O ATOM 0 H TYR A 59 -5.946 1.443 1.831 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.814 0.730 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.177 1.998 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.635 1.083 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.838 1.880 0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.302 4.257 0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.195 3.878 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.657 6.256 0.862 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.204 6.044 1.199 1.00 0.00 H new ATOM 888 N HIS A 60 -8.340 -1.498 0.823 1.00 0.00 N ATOM 889 CA HIS A 60 -8.018 -2.867 0.438 1.00 0.00 C ATOM 890 C HIS A 60 -7.390 -2.908 -0.952 1.00 0.00 C ATOM 891 O HIS A 60 -7.809 -2.183 -1.855 1.00 0.00 O ATOM 892 CB HIS A 60 -9.275 -3.737 0.468 1.00 0.00 C ATOM 893 CG HIS A 60 -9.700 -4.127 1.850 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.948 -3.841 2.363 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.036 -4.788 2.828 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.032 -4.306 3.597 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.885 -4.886 3.903 1.00 0.00 N ATOM 0 H HIS A 60 -9.326 -1.340 1.033 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.297 -3.259 1.155 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.091 -3.200 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.096 -4.639 -0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.026 -5.168 2.773 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.892 -4.226 4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.666 -5.334 4.793 1.00 0.00 H new ATOM 905 N PHE A 61 -6.383 -3.760 -1.117 1.00 0.00 N ATOM 906 CA PHE A 61 -5.697 -3.894 -2.396 1.00 0.00 C ATOM 907 C PHE A 61 -6.673 -3.727 -3.557 1.00 0.00 C ATOM 908 O PHE A 61 -6.326 -3.172 -4.599 1.00 0.00 O ATOM 909 CB PHE A 61 -5.005 -5.255 -2.487 1.00 0.00 C ATOM 910 CG PHE A 61 -4.163 -5.418 -3.721 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.121 -4.543 -3.985 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.413 -6.446 -4.616 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.345 -4.690 -5.119 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.640 -6.598 -5.751 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.605 -5.719 -6.003 1.00 0.00 C ATOM 0 H PHE A 61 -6.024 -4.368 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.945 -3.107 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.377 -5.394 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.761 -6.040 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.913 -3.737 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.221 -7.136 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.536 -4.001 -5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.845 -7.404 -6.441 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.000 -5.836 -6.890 1.00 0.00 H new ATOM 925 N SER A 62 -7.895 -4.214 -3.369 1.00 0.00 N ATOM 926 CA SER A 62 -8.921 -4.124 -4.401 1.00 0.00 C ATOM 927 C SER A 62 -9.717 -2.830 -4.265 1.00 0.00 C ATOM 928 O SER A 62 -9.797 -2.035 -5.202 1.00 0.00 O ATOM 929 CB SER A 62 -9.864 -5.326 -4.320 1.00 0.00 C ATOM 930 OG SER A 62 -9.364 -6.418 -5.072 1.00 0.00 O ATOM 0 H SER A 62 -8.199 -4.675 -2.511 1.00 0.00 H new ATOM 0 HA SER A 62 -8.425 -4.125 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.989 -5.624 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.849 -5.045 -4.692 1.00 0.00 H new ATOM 0 HG SER A 62 -9.984 -7.174 -5.003 1.00 0.00 H new ATOM 936 N CYS A 63 -10.304 -2.624 -3.091 1.00 0.00 N ATOM 937 CA CYS A 63 -11.095 -1.428 -2.830 1.00 0.00 C ATOM 938 C CYS A 63 -10.391 -0.183 -3.364 1.00 0.00 C ATOM 939 O CYS A 63 -10.967 0.587 -4.132 1.00 0.00 O ATOM 940 CB CYS A 63 -11.350 -1.277 -1.329 1.00 0.00 C ATOM 941 SG CYS A 63 -12.549 -2.472 -0.655 1.00 0.00 S ATOM 0 H CYS A 63 -10.247 -3.271 -2.304 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.049 -1.535 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.405 -1.388 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.710 -0.267 -1.132 1.00 0.00 H new ATOM 946 N PHE A 64 -9.142 0.006 -2.953 1.00 0.00 N ATOM 947 CA PHE A 64 -8.359 1.156 -3.389 1.00 0.00 C ATOM 948 C PHE A 64 -8.632 1.475 -4.856 1.00 0.00 C ATOM 949 O PHE A 64 -8.687 2.640 -5.249 1.00 0.00 O ATOM 950 CB PHE A 64 -6.866 0.892 -3.183 1.00 0.00 C ATOM 951 CG PHE A 64 -5.988 2.020 -3.643 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.874 2.322 -4.990 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.277 2.780 -2.728 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.066 3.359 -5.416 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.468 3.819 -3.148 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.364 4.110 -4.494 1.00 0.00 C ATOM 0 H PHE A 64 -8.650 -0.623 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.656 2.015 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.681 0.706 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.588 -0.016 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.423 1.740 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.356 2.558 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.984 3.582 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.918 4.402 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.735 4.923 -4.825 1.00 0.00 H new ATOM 966 N TRP A 65 -8.801 0.431 -5.660 1.00 0.00 N ATOM 967 CA TRP A 65 -9.068 0.599 -7.084 1.00 0.00 C ATOM 968 C TRP A 65 -10.552 0.842 -7.335 1.00 0.00 C ATOM 969 O TRP A 65 -10.926 1.582 -8.245 1.00 0.00 O ATOM 970 CB TRP A 65 -8.602 -0.633 -7.861 1.00 0.00 C ATOM 971 CG TRP A 65 -7.164 -0.979 -7.618 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.684 -2.079 -6.966 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.020 -0.219 -8.023 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.310 -2.048 -6.941 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.878 -0.918 -7.584 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.848 0.983 -8.715 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.586 -0.453 -7.814 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.565 1.443 -8.943 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.448 0.726 -8.494 1.00 0.00 C ATOM 0 H TRP A 65 -8.758 -0.540 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.512 1.470 -7.431 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.225 -1.484 -7.586 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.752 -0.460 -8.927 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.294 -2.858 -6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.709 -2.752 -6.513 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.703 1.543 -9.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.724 -1.003 -7.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.421 2.371 -9.476 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.458 1.112 -8.689 1.00 0.00 H new ATOM 990 N LYS A 66 -11.396 0.213 -6.523 1.00 0.00 N ATOM 991 CA LYS A 66 -12.840 0.362 -6.656 1.00 0.00 C ATOM 992 C LYS A 66 -13.240 1.833 -6.637 1.00 0.00 C ATOM 993 O LYS A 66 -14.003 2.291 -7.489 1.00 0.00 O ATOM 994 CB LYS A 66 -13.556 -0.386 -5.529 1.00 0.00 C ATOM 995 CG LYS A 66 -13.251 -1.874 -5.496 1.00 0.00 C ATOM 996 CD LYS A 66 -14.082 -2.636 -6.515 1.00 0.00 C ATOM 997 CE LYS A 66 -13.486 -4.003 -6.810 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.318 -4.775 -7.774 1.00 0.00 N ATOM 0 H LYS A 66 -11.104 -0.405 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.137 -0.064 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.272 0.056 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.632 -0.247 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.192 -2.034 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.449 -2.265 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.099 -2.754 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.147 -2.059 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.481 -3.881 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.390 -4.565 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.878 -5.701 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.270 -4.913 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.388 -4.251 -8.669 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.719 2.571 -5.662 1.00 0.00 N ATOM 1013 CA VAL A 67 -13.020 3.992 -5.535 1.00 0.00 C ATOM 1014 C VAL A 67 -12.712 4.737 -6.829 1.00 0.00 C ATOM 1015 O VAL A 67 -13.372 5.720 -7.164 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.222 4.634 -4.384 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.712 4.115 -3.040 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.734 4.371 -4.556 1.00 0.00 C ATOM 0 H VAL A 67 -12.087 2.208 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.085 4.072 -5.318 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.382 5.712 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.137 4.579 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.767 4.360 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.583 3.033 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.186 4.832 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.552 3.296 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.396 4.796 -5.501 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.703 4.263 -7.553 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.325 4.895 -8.803 1.00 0.00 C ATOM 1030 C GLY A 68 -10.012 5.646 -8.699 1.00 0.00 C ATOM 1031 O GLY A 68 -9.864 6.734 -9.257 1.00 0.00 O ATOM 0 H GLY A 68 -11.140 3.452 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.245 4.136 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.111 5.585 -9.110 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.055 5.066 -7.981 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.748 5.688 -7.804 1.00 0.00 C ATOM 1037 C HIS A 69 -6.725 5.083 -8.761 1.00 0.00 C ATOM 1038 O HIS A 69 -6.047 4.111 -8.427 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.273 5.524 -6.360 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.722 6.628 -5.453 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.606 7.963 -5.777 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.293 6.588 -4.226 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -8.084 8.697 -4.788 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.508 7.887 -3.835 1.00 0.00 N ATOM 0 H HIS A 69 -9.161 4.166 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.845 6.750 -8.028 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.639 4.574 -5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.184 5.475 -6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.534 5.700 -3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.122 9.776 -4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.927 8.179 -2.952 1.00 0.00 H new ATOM 1052 N SER A 70 -6.619 5.664 -9.952 1.00 0.00 N ATOM 1053 CA SER A 70 -5.682 5.179 -10.958 1.00 0.00 C ATOM 1054 C SER A 70 -4.254 5.590 -10.614 1.00 0.00 C ATOM 1055 O SER A 70 -3.994 6.745 -10.277 1.00 0.00 O ATOM 1056 CB SER A 70 -6.061 5.717 -12.339 1.00 0.00 C ATOM 1057 OG SER A 70 -5.823 7.111 -12.426 1.00 0.00 O ATOM 0 H SER A 70 -7.170 6.471 -10.243 1.00 0.00 H new ATOM 0 HA SER A 70 -5.734 4.090 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.485 5.198 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.113 5.511 -12.537 1.00 0.00 H new ATOM 0 HG SER A 70 -6.072 7.430 -13.319 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.333 4.636 -10.701 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.932 4.898 -10.399 1.00 0.00 C ATOM 1065 C ILE A 71 -1.055 4.677 -11.627 1.00 0.00 C ATOM 1066 O ILE A 71 -0.761 3.539 -11.995 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.425 4.004 -9.252 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.218 4.280 -7.973 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.061 4.230 -9.020 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.221 3.120 -7.002 1.00 0.00 C ATOM 0 H ILE A 71 -3.532 3.675 -10.978 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.866 5.941 -10.090 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.574 2.961 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.800 5.157 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.247 4.524 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.404 3.591 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.612 3.988 -9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.234 5.274 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.802 3.386 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.666 2.247 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.197 2.890 -6.707 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.638 5.771 -12.255 1.00 0.00 N ATOM 1083 CA ARG A 72 0.206 5.697 -13.442 1.00 0.00 C ATOM 1084 C ARG A 72 1.429 4.821 -13.184 1.00 0.00 C ATOM 1085 O ARG A 72 1.586 3.762 -13.793 1.00 0.00 O ATOM 1086 CB ARG A 72 0.649 7.098 -13.867 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.370 7.823 -14.730 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.437 7.232 -16.129 1.00 0.00 C ATOM 1089 NE ARG A 72 0.679 7.671 -16.963 1.00 0.00 N ATOM 1090 CZ ARG A 72 0.672 8.797 -17.668 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -0.388 9.593 -17.640 1.00 0.00 N ATOM 1092 NH2 ARG A 72 1.726 9.128 -18.402 1.00 0.00 N ATOM 0 H ARG A 72 -0.871 6.720 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.378 5.249 -14.246 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.847 7.693 -12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.588 7.022 -14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.352 7.764 -14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.109 8.880 -14.792 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.434 6.144 -16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.377 7.521 -16.600 1.00 0.00 H new ATOM 0 HE ARG A 72 1.510 7.080 -17.006 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.200 9.341 -17.076 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.391 10.457 -18.182 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.543 8.518 -18.426 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.720 9.993 -18.943 1.00 0.00 H new ATOM 1106 N HIS A 73 2.292 5.270 -12.279 1.00 0.00 N ATOM 1107 CA HIS A 73 3.501 4.527 -11.942 1.00 0.00 C ATOM 1108 C HIS A 73 3.564 4.243 -10.444 1.00 0.00 C ATOM 1109 O HIS A 73 4.154 4.996 -9.669 1.00 0.00 O ATOM 1110 CB HIS A 73 4.743 5.307 -12.377 1.00 0.00 C ATOM 1111 CG HIS A 73 4.713 5.725 -13.815 1.00 0.00 C ATOM 1112 ND1 HIS A 73 4.391 4.865 -14.843 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.967 6.922 -14.394 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.449 5.514 -15.992 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.796 6.764 -15.747 1.00 0.00 N ATOM 0 H HIS A 73 2.177 6.144 -11.766 1.00 0.00 H new ATOM 0 HA HIS A 73 3.473 3.576 -12.474 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.843 6.194 -11.751 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.627 4.693 -12.204 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.251 7.832 -13.886 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.247 5.094 -16.966 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.917 7.494 -16.449 1.00 0.00 H new ATOM 1123 N PRO A 74 2.941 3.132 -10.025 1.00 0.00 N ATOM 1124 CA PRO A 74 2.911 2.723 -8.618 1.00 0.00 C ATOM 1125 C PRO A 74 4.277 2.263 -8.119 1.00 0.00 C ATOM 1126 O PRO A 74 4.472 2.052 -6.922 1.00 0.00 O ATOM 1127 CB PRO A 74 1.918 1.559 -8.607 1.00 0.00 C ATOM 1128 CG PRO A 74 1.960 1.012 -9.992 1.00 0.00 C ATOM 1129 CD PRO A 74 2.217 2.188 -10.894 1.00 0.00 C ATOM 0 HA PRO A 74 2.630 3.546 -7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.202 0.804 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.915 1.897 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.746 0.264 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.020 0.523 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.811 1.906 -11.763 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.288 2.618 -11.269 1.00 0.00 H new ATOM 1137 N ASP A 75 5.218 2.111 -9.043 1.00 0.00 N ATOM 1138 CA ASP A 75 6.567 1.677 -8.697 1.00 0.00 C ATOM 1139 C ASP A 75 7.312 2.771 -7.939 1.00 0.00 C ATOM 1140 O ASP A 75 8.063 2.493 -7.004 1.00 0.00 O ATOM 1141 CB ASP A 75 7.343 1.295 -9.958 1.00 0.00 C ATOM 1142 CG ASP A 75 7.803 2.507 -10.744 1.00 0.00 C ATOM 1143 OD1 ASP A 75 6.948 3.347 -11.095 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.019 2.616 -11.007 1.00 0.00 O ATOM 0 H ASP A 75 5.072 2.282 -10.038 1.00 0.00 H new ATOM 0 HA ASP A 75 6.486 0.803 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.210 0.695 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.714 0.671 -10.593 1.00 0.00 H new ATOM 1149 N VAL A 76 7.098 4.018 -8.348 1.00 0.00 N ATOM 1150 CA VAL A 76 7.749 5.155 -7.707 1.00 0.00 C ATOM 1151 C VAL A 76 6.737 6.020 -6.964 1.00 0.00 C ATOM 1152 O VAL A 76 7.061 6.640 -5.952 1.00 0.00 O ATOM 1153 CB VAL A 76 8.496 6.026 -8.735 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.677 5.267 -9.319 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.549 6.483 -9.834 1.00 0.00 C ATOM 0 H VAL A 76 6.479 4.266 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 76 8.468 4.749 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 76 8.879 6.911 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.193 5.898 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.366 4.995 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.320 4.364 -9.814 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.093 7.097 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.135 5.612 -10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.739 7.067 -9.397 1.00 0.00 H new ATOM 1165 N GLU A 77 5.510 6.057 -7.474 1.00 0.00 N ATOM 1166 CA GLU A 77 4.451 6.847 -6.858 1.00 0.00 C ATOM 1167 C GLU A 77 3.994 6.216 -5.546 1.00 0.00 C ATOM 1168 O GLU A 77 3.828 6.903 -4.538 1.00 0.00 O ATOM 1169 CB GLU A 77 3.262 6.980 -7.813 1.00 0.00 C ATOM 1170 CG GLU A 77 3.575 7.781 -9.065 1.00 0.00 C ATOM 1171 CD GLU A 77 2.329 8.153 -9.846 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.273 8.362 -9.212 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.409 8.236 -11.089 1.00 0.00 O ATOM 0 H GLU A 77 5.225 5.549 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 77 4.850 7.839 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.926 5.984 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.434 7.454 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.110 8.689 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.241 7.202 -9.705 1.00 0.00 H new ATOM 1180 N VAL A 78 3.793 4.902 -5.566 1.00 0.00 N ATOM 1181 CA VAL A 78 3.356 4.177 -4.379 1.00 0.00 C ATOM 1182 C VAL A 78 4.547 3.621 -3.605 1.00 0.00 C ATOM 1183 O VAL A 78 5.185 2.660 -4.035 1.00 0.00 O ATOM 1184 CB VAL A 78 2.410 3.019 -4.745 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.865 2.357 -3.488 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.277 3.516 -5.630 1.00 0.00 C ATOM 0 H VAL A 78 3.926 4.318 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 78 2.820 4.890 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 78 2.976 2.273 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.198 1.541 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.692 1.964 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.314 3.091 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.618 2.684 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.710 4.282 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.690 3.939 -6.546 1.00 0.00 H new ATOM 1196 N ASP A 79 4.841 4.232 -2.463 1.00 0.00 N ATOM 1197 CA ASP A 79 5.954 3.797 -1.628 1.00 0.00 C ATOM 1198 C ASP A 79 5.817 2.323 -1.263 1.00 0.00 C ATOM 1199 O ASP A 79 4.748 1.733 -1.413 1.00 0.00 O ATOM 1200 CB ASP A 79 6.028 4.645 -0.357 1.00 0.00 C ATOM 1201 CG ASP A 79 7.382 4.557 0.320 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.361 4.178 -0.357 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.463 4.868 1.526 1.00 0.00 O ATOM 0 H ASP A 79 4.324 5.030 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 79 6.875 3.927 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.816 5.685 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.255 4.319 0.339 1.00 0.00 H new ATOM 1208 N GLY A 80 6.907 1.732 -0.784 1.00 0.00 N ATOM 1209 CA GLY A 80 6.887 0.331 -0.406 1.00 0.00 C ATOM 1210 C GLY A 80 7.041 -0.593 -1.598 1.00 0.00 C ATOM 1211 O GLY A 80 7.682 -1.640 -1.502 1.00 0.00 O ATOM 0 H GLY A 80 7.804 2.199 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.690 0.138 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.949 0.109 0.104 1.00 0.00 H new ATOM 1215 N PHE A 81 6.451 -0.206 -2.724 1.00 0.00 N ATOM 1216 CA PHE A 81 6.524 -1.009 -3.940 1.00 0.00 C ATOM 1217 C PHE A 81 7.870 -1.721 -4.042 1.00 0.00 C ATOM 1218 O PHE A 81 7.931 -2.948 -4.112 1.00 0.00 O ATOM 1219 CB PHE A 81 6.304 -0.129 -5.172 1.00 0.00 C ATOM 1220 CG PHE A 81 6.074 -0.910 -6.434 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.055 -1.754 -6.930 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.878 -0.801 -7.124 1.00 0.00 C ATOM 1223 CE1 PHE A 81 6.847 -2.475 -8.091 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.664 -1.519 -8.285 1.00 0.00 C ATOM 1225 CZ PHE A 81 5.650 -2.356 -8.769 1.00 0.00 C ATOM 0 H PHE A 81 5.917 0.658 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 81 5.737 -1.762 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.447 0.521 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.172 0.517 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.993 -1.850 -6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.104 -0.147 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.619 -3.130 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.727 -1.426 -8.813 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.485 -2.917 -9.677 1.00 0.00 H new ATOM 1235 N SER A 82 8.946 -0.940 -4.051 1.00 0.00 N ATOM 1236 CA SER A 82 10.291 -1.494 -4.149 1.00 0.00 C ATOM 1237 C SER A 82 10.552 -2.491 -3.024 1.00 0.00 C ATOM 1238 O SER A 82 11.196 -3.519 -3.228 1.00 0.00 O ATOM 1239 CB SER A 82 11.331 -0.374 -4.105 1.00 0.00 C ATOM 1240 OG SER A 82 11.237 0.362 -2.898 1.00 0.00 O ATOM 0 H SER A 82 8.912 0.078 -3.992 1.00 0.00 H new ATOM 0 HA SER A 82 10.372 -2.018 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.331 -0.798 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.187 0.294 -4.954 1.00 0.00 H new ATOM 0 HG SER A 82 11.914 1.071 -2.894 1.00 0.00 H new ATOM 1246 N GLU A 83 10.047 -2.176 -1.835 1.00 0.00 N ATOM 1247 CA GLU A 83 10.226 -3.043 -0.676 1.00 0.00 C ATOM 1248 C GLU A 83 9.514 -4.377 -0.879 1.00 0.00 C ATOM 1249 O GLU A 83 10.048 -5.436 -0.547 1.00 0.00 O ATOM 1250 CB GLU A 83 9.699 -2.359 0.587 1.00 0.00 C ATOM 1251 CG GLU A 83 10.505 -1.138 0.999 1.00 0.00 C ATOM 1252 CD GLU A 83 10.486 -0.905 2.497 1.00 0.00 C ATOM 1253 OE1 GLU A 83 10.546 -1.897 3.254 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.410 0.270 2.913 1.00 0.00 O ATOM 0 H GLU A 83 9.511 -1.328 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 83 11.293 -3.234 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.663 -2.062 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.699 -3.078 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.536 -1.259 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.108 -0.258 0.493 1.00 0.00 H new ATOM 1261 N LEU A 84 8.305 -4.319 -1.427 1.00 0.00 N ATOM 1262 CA LEU A 84 7.518 -5.522 -1.675 1.00 0.00 C ATOM 1263 C LEU A 84 8.335 -6.559 -2.439 1.00 0.00 C ATOM 1264 O LEU A 84 9.342 -6.231 -3.066 1.00 0.00 O ATOM 1265 CB LEU A 84 6.252 -5.174 -2.460 1.00 0.00 C ATOM 1266 CG LEU A 84 5.254 -4.256 -1.753 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.146 -3.837 -2.706 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.673 -4.945 -0.526 1.00 0.00 C ATOM 0 H LEU A 84 7.848 -3.451 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 84 7.236 -5.947 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.548 -4.702 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.742 -6.102 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 84 5.782 -3.360 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.446 -3.184 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.577 -3.304 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.620 -4.722 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.965 -4.277 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.161 -5.858 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.477 -5.194 0.167 1.00 0.00 H new ATOM 1280 N ARG A 85 7.892 -7.811 -2.383 1.00 0.00 N ATOM 1281 CA ARG A 85 8.582 -8.896 -3.070 1.00 0.00 C ATOM 1282 C ARG A 85 8.213 -8.924 -4.550 1.00 0.00 C ATOM 1283 O ARG A 85 7.150 -8.443 -4.944 1.00 0.00 O ATOM 1284 CB ARG A 85 8.237 -10.239 -2.423 1.00 0.00 C ATOM 1285 CG ARG A 85 8.691 -10.352 -0.976 1.00 0.00 C ATOM 1286 CD ARG A 85 10.193 -10.568 -0.879 1.00 0.00 C ATOM 1287 NE ARG A 85 10.602 -10.975 0.462 1.00 0.00 N ATOM 1288 CZ ARG A 85 10.852 -10.118 1.446 1.00 0.00 C ATOM 1289 NH1 ARG A 85 10.734 -8.813 1.239 1.00 0.00 N ATOM 1290 NH2 ARG A 85 11.219 -10.565 2.640 1.00 0.00 N ATOM 0 H ARG A 85 7.059 -8.099 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 85 9.655 -8.723 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.158 -10.389 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.695 -11.040 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.417 -9.446 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.171 -11.180 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.497 -11.329 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.710 -9.648 -1.152 1.00 0.00 H new ATOM 0 HE ARG A 85 10.701 -11.972 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.451 -8.466 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.926 -8.157 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.310 -11.568 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.411 -9.906 3.395 1.00 0.00 H new ATOM 1304 N TRP A 86 9.097 -9.488 -5.365 1.00 0.00 N ATOM 1305 CA TRP A 86 8.864 -9.578 -6.802 1.00 0.00 C ATOM 1306 C TRP A 86 7.429 -10.000 -7.095 1.00 0.00 C ATOM 1307 O TRP A 86 6.721 -9.341 -7.857 1.00 0.00 O ATOM 1308 CB TRP A 86 9.840 -10.569 -7.437 1.00 0.00 C ATOM 1309 CG TRP A 86 9.622 -10.759 -8.907 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.278 -10.124 -9.922 1.00 0.00 C ATOM 1311 CD2 TRP A 86 8.680 -11.642 -9.526 1.00 0.00 C ATOM 1312 NE1 TRP A 86 9.802 -10.560 -11.135 1.00 0.00 N ATOM 1313 CE2 TRP A 86 8.821 -11.492 -10.920 1.00 0.00 C ATOM 1314 CE3 TRP A 86 7.733 -12.547 -9.039 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.049 -12.211 -11.828 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 6.967 -13.260 -9.942 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.130 -13.090 -11.324 1.00 0.00 C ATOM 0 H TRP A 86 9.982 -9.890 -5.055 1.00 0.00 H new ATOM 0 HA TRP A 86 9.028 -8.591 -7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.859 -10.221 -7.270 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.746 -11.532 -6.936 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.057 -9.387 -9.791 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.127 -10.241 -12.048 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.602 -12.687 -7.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 8.171 -12.080 -12.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.230 -13.960 -9.577 1.00 0.00 H new ATOM 0 HH2 TRP A 86 6.518 -13.664 -12.004 1.00 0.00 H new ATOM 1328 N ASP A 87 7.005 -11.102 -6.487 1.00 0.00 N ATOM 1329 CA ASP A 87 5.652 -11.612 -6.682 1.00 0.00 C ATOM 1330 C ASP A 87 4.624 -10.496 -6.527 1.00 0.00 C ATOM 1331 O ASP A 87 3.767 -10.303 -7.391 1.00 0.00 O ATOM 1332 CB ASP A 87 5.359 -12.736 -5.687 1.00 0.00 C ATOM 1333 CG ASP A 87 4.197 -13.606 -6.123 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.194 -14.050 -7.290 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.290 -13.844 -5.298 1.00 0.00 O ATOM 0 H ASP A 87 7.579 -11.660 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 87 5.581 -12.008 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.249 -13.355 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.140 -12.305 -4.710 1.00 0.00 H new ATOM 1340 N ASP A 88 4.713 -9.766 -5.421 1.00 0.00 N ATOM 1341 CA ASP A 88 3.790 -8.669 -5.153 1.00 0.00 C ATOM 1342 C ASP A 88 3.918 -7.579 -6.212 1.00 0.00 C ATOM 1343 O ASP A 88 2.935 -7.201 -6.849 1.00 0.00 O ATOM 1344 CB ASP A 88 4.053 -8.082 -3.765 1.00 0.00 C ATOM 1345 CG ASP A 88 3.466 -8.933 -2.656 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.599 -10.173 -2.726 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.872 -8.360 -1.718 1.00 0.00 O ATOM 0 H ASP A 88 5.415 -9.914 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 88 2.775 -9.065 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.128 -7.983 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.630 -7.079 -3.712 1.00 0.00 H new ATOM 1352 N GLN A 89 5.136 -7.078 -6.394 1.00 0.00 N ATOM 1353 CA GLN A 89 5.391 -6.030 -7.375 1.00 0.00 C ATOM 1354 C GLN A 89 4.642 -6.306 -8.675 1.00 0.00 C ATOM 1355 O GLN A 89 3.943 -5.437 -9.195 1.00 0.00 O ATOM 1356 CB GLN A 89 6.891 -5.915 -7.652 1.00 0.00 C ATOM 1357 CG GLN A 89 7.664 -5.226 -6.539 1.00 0.00 C ATOM 1358 CD GLN A 89 9.119 -4.995 -6.896 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.578 -5.392 -7.967 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.854 -4.350 -5.997 1.00 0.00 N ATOM 0 H GLN A 89 5.961 -7.381 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 89 5.031 -5.087 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.302 -6.913 -7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.039 -5.364 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.193 -4.269 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.607 -5.831 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.432 -4.039 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.840 -4.166 -6.182 1.00 0.00 H new ATOM 1369 N GLN A 90 4.794 -7.521 -9.192 1.00 0.00 N ATOM 1370 CA GLN A 90 4.132 -7.911 -10.432 1.00 0.00 C ATOM 1371 C GLN A 90 2.615 -7.852 -10.281 1.00 0.00 C ATOM 1372 O GLN A 90 1.911 -7.361 -11.164 1.00 0.00 O ATOM 1373 CB GLN A 90 4.561 -9.320 -10.842 1.00 0.00 C ATOM 1374 CG GLN A 90 6.048 -9.443 -11.134 1.00 0.00 C ATOM 1375 CD GLN A 90 6.563 -8.324 -12.018 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.444 -7.560 -11.623 1.00 0.00 O ATOM 1377 NE2 GLN A 90 6.015 -8.221 -13.223 1.00 0.00 N ATOM 0 H GLN A 90 5.369 -8.252 -8.772 1.00 0.00 H new ATOM 0 HA GLN A 90 4.429 -7.208 -11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.297 -10.017 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.000 -9.619 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.600 -9.442 -10.194 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.242 -10.401 -11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.287 -8.876 -13.510 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.322 -7.487 -13.862 1.00 0.00 H new ATOM 1386 N LYS A 91 2.118 -8.356 -9.157 1.00 0.00 N ATOM 1387 CA LYS A 91 0.685 -8.360 -8.888 1.00 0.00 C ATOM 1388 C LYS A 91 0.105 -6.955 -9.005 1.00 0.00 C ATOM 1389 O LYS A 91 -0.863 -6.730 -9.732 1.00 0.00 O ATOM 1390 CB LYS A 91 0.408 -8.924 -7.492 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.054 -8.855 -7.087 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.212 -8.781 -5.578 1.00 0.00 C ATOM 1393 CE LYS A 91 -0.915 -10.121 -4.921 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.951 -11.140 -5.247 1.00 0.00 N ATOM 0 H LYS A 91 2.687 -8.767 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 91 0.203 -8.995 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.737 -9.962 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.005 -8.376 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.519 -7.982 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.579 -9.732 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.541 -8.021 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.228 -8.471 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.061 -10.478 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.860 -9.991 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.874 -11.938 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.896 -10.713 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.808 -11.482 -6.219 1.00 0.00 H new ATOM 1408 N VAL A 92 0.703 -6.011 -8.285 1.00 0.00 N ATOM 1409 CA VAL A 92 0.248 -4.626 -8.310 1.00 0.00 C ATOM 1410 C VAL A 92 0.229 -4.079 -9.733 1.00 0.00 C ATOM 1411 O VAL A 92 -0.807 -3.634 -10.226 1.00 0.00 O ATOM 1412 CB VAL A 92 1.141 -3.725 -7.437 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.675 -2.279 -7.509 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.152 -4.220 -5.999 1.00 0.00 C ATOM 0 H VAL A 92 1.504 -6.180 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.765 -4.619 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 92 2.160 -3.772 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.318 -1.658 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.725 -1.932 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.353 -2.210 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.788 -3.572 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.137 -4.205 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.539 -5.239 -5.968 1.00 0.00 H new ATOM 1424 N LYS A 93 1.384 -4.115 -10.390 1.00 0.00 N ATOM 1425 CA LYS A 93 1.502 -3.625 -11.758 1.00 0.00 C ATOM 1426 C LYS A 93 0.279 -4.013 -12.582 1.00 0.00 C ATOM 1427 O LYS A 93 -0.440 -3.151 -13.089 1.00 0.00 O ATOM 1428 CB LYS A 93 2.769 -4.181 -12.413 1.00 0.00 C ATOM 1429 CG LYS A 93 4.052 -3.606 -11.840 1.00 0.00 C ATOM 1430 CD LYS A 93 5.278 -4.176 -12.535 1.00 0.00 C ATOM 1431 CE LYS A 93 5.605 -3.407 -13.807 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.960 -3.743 -14.324 1.00 0.00 N ATOM 0 H LYS A 93 2.252 -4.479 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 93 1.565 -2.537 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.783 -5.265 -12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.735 -3.976 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.044 -2.521 -11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.104 -3.822 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.131 -4.141 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.106 -5.225 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.859 -3.632 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.546 -2.337 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.146 -3.199 -15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.674 -3.505 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.008 -4.760 -14.536 1.00 0.00 H new ATOM 1446 N LYS A 94 0.047 -5.314 -12.712 1.00 0.00 N ATOM 1447 CA LYS A 94 -1.092 -5.817 -13.473 1.00 0.00 C ATOM 1448 C LYS A 94 -2.384 -5.138 -13.031 1.00 0.00 C ATOM 1449 O LYS A 94 -3.239 -4.811 -13.854 1.00 0.00 O ATOM 1450 CB LYS A 94 -1.216 -7.333 -13.302 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.248 -8.123 -14.166 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.826 -9.471 -14.561 1.00 0.00 C ATOM 1453 CE LYS A 94 -1.573 -9.392 -15.883 1.00 0.00 C ATOM 1454 NZ LYS A 94 -2.984 -8.953 -15.698 1.00 0.00 N ATOM 0 H LYS A 94 0.633 -6.041 -12.300 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.924 -5.588 -14.525 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.047 -7.587 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.235 -7.635 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.010 -7.551 -15.063 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.686 -8.271 -13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.023 -10.204 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.502 -9.821 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.061 -8.697 -16.548 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.557 -10.368 -16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.534 -9.183 -16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.395 -9.443 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.010 -7.926 -15.536 1.00 0.00 H new ATOM 1468 N THR A 95 -2.519 -4.926 -11.725 1.00 0.00 N ATOM 1469 CA THR A 95 -3.707 -4.285 -11.174 1.00 0.00 C ATOM 1470 C THR A 95 -3.765 -2.811 -11.559 1.00 0.00 C ATOM 1471 O THR A 95 -4.841 -2.264 -11.798 1.00 0.00 O ATOM 1472 CB THR A 95 -3.749 -4.405 -9.639 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.607 -5.776 -9.251 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.053 -3.848 -9.088 1.00 0.00 C ATOM 0 H THR A 95 -1.821 -5.189 -11.030 1.00 0.00 H new ATOM 0 HA THR A 95 -4.569 -4.802 -11.595 1.00 0.00 H new ATOM 0 HB THR A 95 -2.923 -3.825 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.684 -6.066 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.060 -3.944 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.143 -2.796 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.892 -4.404 -9.506 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.601 -2.173 -11.618 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.519 -0.763 -11.977 1.00 0.00 C ATOM 1484 C ALA A 96 -2.897 -0.546 -13.439 1.00 0.00 C ATOM 1485 O ALA A 96 -3.703 0.328 -13.757 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.120 -0.229 -11.707 1.00 0.00 C ATOM 0 H ALA A 96 -1.701 -2.611 -11.422 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.230 -0.215 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.074 0.825 -11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.886 -0.340 -10.648 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.396 -0.789 -12.299 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.308 -1.346 -14.323 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.583 -1.239 -15.751 1.00 0.00 C ATOM 1494 C GLU A 97 -4.073 -1.408 -16.032 1.00 0.00 C ATOM 1495 O GLU A 97 -4.627 -0.754 -16.915 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.784 -2.288 -16.526 1.00 0.00 C ATOM 1497 CG GLU A 97 -2.238 -3.714 -16.266 1.00 0.00 C ATOM 1498 CD GLU A 97 -1.797 -4.674 -17.353 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.897 -4.309 -18.543 1.00 0.00 O ATOM 1500 OE2 GLU A 97 -1.352 -5.791 -17.015 1.00 0.00 O ATOM 0 H GLU A 97 -1.638 -2.074 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.280 -0.245 -16.080 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.865 -2.079 -17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.730 -2.197 -16.262 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.841 -4.049 -15.308 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.325 -3.736 -16.186 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.716 -2.291 -15.275 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.141 -2.546 -15.442 1.00 0.00 C ATOM 1509 C ALA A 98 -6.975 -1.468 -14.758 1.00 0.00 C ATOM 1510 O ALA A 98 -8.184 -1.619 -14.590 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.499 -3.920 -14.893 1.00 0.00 C ATOM 0 H ALA A 98 -4.272 -2.842 -14.540 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.367 -2.522 -16.508 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.566 -4.097 -15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.936 -4.684 -15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.252 -3.964 -13.832 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.320 -0.379 -14.366 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.018 0.708 -13.705 1.00 0.00 C ATOM 1519 C GLY A 99 -7.822 1.554 -14.671 1.00 0.00 C ATOM 1520 O GLY A 99 -7.460 2.694 -14.959 1.00 0.00 O ATOM 0 H GLY A 99 -5.319 -0.231 -14.494 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.683 0.299 -12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.295 1.340 -13.189 1.00 0.00 H new ATOM 1524 N GLY A 100 -8.917 0.994 -15.177 1.00 0.00 N ATOM 1525 CA GLY A 100 -9.756 1.718 -16.113 1.00 0.00 C ATOM 1526 C GLY A 100 -9.087 1.916 -17.458 1.00 0.00 C ATOM 1527 O GLY A 100 -8.229 2.785 -17.610 1.00 0.00 O ATOM 0 H GLY A 100 -9.238 0.051 -14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.691 1.176 -16.252 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.011 2.690 -15.691 1.00 0.00 H new ATOM 1531 N SER A 101 -9.479 1.107 -18.437 1.00 0.00 N ATOM 1532 CA SER A 101 -8.907 1.194 -19.776 1.00 0.00 C ATOM 1533 C SER A 101 -9.890 1.843 -20.746 1.00 0.00 C ATOM 1534 O SER A 101 -11.036 2.119 -20.394 1.00 0.00 O ATOM 1535 CB SER A 101 -8.520 -0.198 -20.279 1.00 0.00 C ATOM 1536 OG SER A 101 -7.482 -0.755 -19.491 1.00 0.00 O ATOM 0 H SER A 101 -10.190 0.384 -18.328 1.00 0.00 H new ATOM 0 HA SER A 101 -8.013 1.815 -19.723 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.391 -0.852 -20.253 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.198 -0.136 -21.319 1.00 0.00 H new ATOM 0 HG SER A 101 -7.254 -1.645 -19.832 1.00 0.00 H new ATOM 1542 N GLY A 102 -9.431 2.085 -21.970 1.00 0.00 N ATOM 1543 CA GLY A 102 -10.281 2.699 -22.973 1.00 0.00 C ATOM 1544 C GLY A 102 -10.087 4.200 -23.056 1.00 0.00 C ATOM 1545 O GLY A 102 -9.046 4.735 -22.676 1.00 0.00 O ATOM 0 H GLY A 102 -8.486 1.867 -22.285 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.070 2.254 -23.945 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.324 2.483 -22.743 1.00 0.00 H new ATOM 1549 N PRO A 103 -11.109 4.905 -23.565 1.00 0.00 N ATOM 1550 CA PRO A 103 -11.069 6.364 -23.710 1.00 0.00 C ATOM 1551 C PRO A 103 -11.116 7.081 -22.366 1.00 0.00 C ATOM 1552 O PRO A 103 -11.300 8.297 -22.306 1.00 0.00 O ATOM 1553 CB PRO A 103 -12.327 6.673 -24.526 1.00 0.00 C ATOM 1554 CG PRO A 103 -13.253 5.542 -24.238 1.00 0.00 C ATOM 1555 CD PRO A 103 -12.380 4.333 -24.038 1.00 0.00 C ATOM 0 HA PRO A 103 -10.146 6.702 -24.180 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -12.765 7.627 -24.233 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -12.102 6.739 -25.590 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -13.850 5.743 -23.349 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -13.950 5.388 -25.062 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.807 3.645 -23.308 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.249 3.774 -24.965 1.00 0.00 H new ATOM 1563 N SER A 104 -10.948 6.321 -21.288 1.00 0.00 N ATOM 1564 CA SER A 104 -10.974 6.885 -19.944 1.00 0.00 C ATOM 1565 C SER A 104 -10.187 8.190 -19.886 1.00 0.00 C ATOM 1566 O SER A 104 -9.441 8.520 -20.809 1.00 0.00 O ATOM 1567 CB SER A 104 -10.401 5.885 -18.937 1.00 0.00 C ATOM 1568 OG SER A 104 -9.023 5.656 -19.175 1.00 0.00 O ATOM 0 H SER A 104 -10.793 5.313 -21.320 1.00 0.00 H new ATOM 0 HA SER A 104 -12.012 7.096 -19.686 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.541 6.263 -17.924 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.946 4.944 -19.004 1.00 0.00 H new ATOM 0 HG SER A 104 -8.752 4.817 -18.746 1.00 0.00 H new ATOM 1574 N SER A 105 -10.358 8.930 -18.795 1.00 0.00 N ATOM 1575 CA SER A 105 -9.667 10.202 -18.618 1.00 0.00 C ATOM 1576 C SER A 105 -8.220 10.104 -19.090 1.00 0.00 C ATOM 1577 O SER A 105 -7.464 9.246 -18.637 1.00 0.00 O ATOM 1578 CB SER A 105 -9.708 10.628 -17.149 1.00 0.00 C ATOM 1579 OG SER A 105 -11.030 10.578 -16.640 1.00 0.00 O ATOM 0 H SER A 105 -10.969 8.671 -18.021 1.00 0.00 H new ATOM 0 HA SER A 105 -10.178 10.952 -19.221 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.063 9.976 -16.560 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.315 11.640 -17.049 1.00 0.00 H new ATOM 0 HG SER A 105 -11.029 10.853 -15.699 1.00 0.00 H new ATOM 1585 N GLY A 106 -7.842 10.991 -20.006 1.00 0.00 N ATOM 1586 CA GLY A 106 -6.487 10.989 -20.526 1.00 0.00 C ATOM 1587 C GLY A 106 -5.599 12.003 -19.833 1.00 0.00 C ATOM 1588 O GLY A 106 -5.198 13.000 -20.433 1.00 0.00 O ATOM 0 H GLY A 106 -8.450 11.711 -20.397 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.057 9.994 -20.409 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.511 11.202 -21.595 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.473 -2.648 1.584 1.00 0.00 ZN