USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -3.54! K(o=-6.8!,f=-2.3) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.27! K(o=-6.8!,f=-3.4) USER MOD Set 2.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 14 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.61) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.157 USER MOD Single : A 6 SER OG : rot 180:sc= 0.021 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0045 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 150:sc= -0.502 USER MOD Single : A 62 THR OG1 : rot 169:sc= 0.0636 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -97:sc= 0.00193 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -160:sc= -0.503 USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0316) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= -0.121 (180deg=-1.59!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 63:sc= 0.497 USER MOD Single : A 91 SER OG : rot 77:sc= -3.27! USER MOD Single : A 95 SER OG : rot 137:sc= -2.29 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.485 -2.135 -14.848 1.00 0.00 N ATOM 2 CA GLY A 1 133.474 -2.831 -13.979 1.00 0.00 C ATOM 3 C GLY A 1 133.260 -2.538 -12.507 1.00 0.00 C ATOM 4 O GLY A 1 133.286 -3.446 -11.676 1.00 0.00 O ATOM 0 H1 GLY A 1 132.674 -2.367 -15.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 131.524 -2.444 -14.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 132.565 -1.107 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 1 133.406 -3.906 -14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 134.481 -2.527 -14.264 1.00 0.00 H new ATOM 10 N SER A 2 133.048 -1.266 -12.184 1.00 0.00 N ATOM 11 CA SER A 2 132.829 -0.855 -10.803 1.00 0.00 C ATOM 12 C SER A 2 131.367 -0.493 -10.568 1.00 0.00 C ATOM 13 O SER A 2 130.763 0.238 -11.354 1.00 0.00 O ATOM 14 CB SER A 2 133.723 0.338 -10.456 1.00 0.00 C ATOM 15 OG SER A 2 133.256 1.523 -11.074 1.00 0.00 O ATOM 0 H SER A 2 133.023 -0.503 -12.860 1.00 0.00 H new ATOM 0 HA SER A 2 133.086 -1.694 -10.156 1.00 0.00 H new ATOM 0 HB2 SER A 2 133.749 0.474 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 134.745 0.136 -10.777 1.00 0.00 H new ATOM 0 HG SER A 2 133.843 2.270 -10.835 1.00 0.00 H new ATOM 21 N SER A 3 130.801 -1.010 -9.482 1.00 0.00 N ATOM 22 CA SER A 3 129.408 -0.742 -9.143 1.00 0.00 C ATOM 23 C SER A 3 129.287 0.525 -8.303 1.00 0.00 C ATOM 24 O SER A 3 129.369 0.478 -7.076 1.00 0.00 O ATOM 25 CB SER A 3 128.807 -1.928 -8.388 1.00 0.00 C ATOM 26 OG SER A 3 127.458 -2.142 -8.764 1.00 0.00 O ATOM 0 H SER A 3 131.286 -1.617 -8.821 1.00 0.00 H new ATOM 0 HA SER A 3 128.856 -0.595 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 129.391 -2.826 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 128.864 -1.746 -7.315 1.00 0.00 H new ATOM 0 HG SER A 3 127.098 -2.907 -8.268 1.00 0.00 H new ATOM 32 N GLY A 4 129.091 1.657 -8.972 1.00 0.00 N ATOM 33 CA GLY A 4 128.962 2.919 -8.271 1.00 0.00 C ATOM 34 C GLY A 4 128.420 4.023 -9.158 1.00 0.00 C ATOM 35 O GLY A 4 128.458 3.918 -10.383 1.00 0.00 O ATOM 0 H GLY A 4 129.019 1.722 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 128.302 2.789 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 129.936 3.216 -7.881 1.00 0.00 H new ATOM 39 N SER A 5 127.915 5.084 -8.537 1.00 0.00 N ATOM 40 CA SER A 5 127.362 6.212 -9.279 1.00 0.00 C ATOM 41 C SER A 5 127.409 7.487 -8.444 1.00 0.00 C ATOM 42 O SER A 5 127.856 8.534 -8.914 1.00 0.00 O ATOM 43 CB SER A 5 125.922 5.916 -9.699 1.00 0.00 C ATOM 44 OG SER A 5 125.076 5.793 -8.569 1.00 0.00 O ATOM 0 H SER A 5 127.877 5.187 -7.523 1.00 0.00 H new ATOM 0 HA SER A 5 127.970 6.361 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 5 125.557 6.714 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 125.892 4.995 -10.282 1.00 0.00 H new ATOM 0 HG SER A 5 124.161 5.606 -8.865 1.00 0.00 H new ATOM 50 N SER A 6 126.945 7.394 -7.202 1.00 0.00 N ATOM 51 CA SER A 6 126.933 8.540 -6.301 1.00 0.00 C ATOM 52 C SER A 6 128.282 8.699 -5.606 1.00 0.00 C ATOM 53 O SER A 6 129.041 7.739 -5.475 1.00 0.00 O ATOM 54 CB SER A 6 125.824 8.385 -5.259 1.00 0.00 C ATOM 55 OG SER A 6 125.843 7.091 -4.683 1.00 0.00 O ATOM 0 H SER A 6 126.572 6.536 -6.797 1.00 0.00 H new ATOM 0 HA SER A 6 126.742 9.435 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 125.947 9.136 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 124.855 8.565 -5.725 1.00 0.00 H new ATOM 0 HG SER A 6 125.126 7.018 -4.019 1.00 0.00 H new ATOM 61 N GLY A 7 128.574 9.917 -5.163 1.00 0.00 N ATOM 62 CA GLY A 7 129.830 10.179 -4.487 1.00 0.00 C ATOM 63 C GLY A 7 129.885 11.568 -3.882 1.00 0.00 C ATOM 64 O GLY A 7 130.880 12.278 -4.029 1.00 0.00 O ATOM 0 H GLY A 7 127.963 10.728 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 7 129.978 9.438 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 7 130.651 10.062 -5.194 1.00 0.00 H new ATOM 68 N LEU A 8 128.813 11.957 -3.200 1.00 0.00 N ATOM 69 CA LEU A 8 128.741 13.271 -2.570 1.00 0.00 C ATOM 70 C LEU A 8 128.749 13.146 -1.050 1.00 0.00 C ATOM 71 O LEU A 8 128.123 13.940 -0.349 1.00 0.00 O ATOM 72 CB LEU A 8 127.482 14.011 -3.026 1.00 0.00 C ATOM 73 CG LEU A 8 127.632 14.802 -4.326 1.00 0.00 C ATOM 74 CD1 LEU A 8 126.291 14.925 -5.034 1.00 0.00 C ATOM 75 CD2 LEU A 8 128.217 16.179 -4.047 1.00 0.00 C ATOM 0 H LEU A 8 127.981 11.381 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 8 129.619 13.841 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 8 126.678 13.286 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 127.175 14.695 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 8 128.317 14.263 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 8 126.417 15.491 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 125.910 13.931 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 125.583 15.442 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 128.317 16.728 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 8 127.556 16.726 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 8 129.198 16.071 -3.583 1.00 0.00 H new ATOM 87 N ALA A 9 129.465 12.144 -0.548 1.00 0.00 N ATOM 88 CA ALA A 9 129.555 11.916 0.889 1.00 0.00 C ATOM 89 C ALA A 9 130.916 11.341 1.267 1.00 0.00 C ATOM 90 O ALA A 9 131.007 10.386 2.039 1.00 0.00 O ATOM 91 CB ALA A 9 128.440 10.988 1.346 1.00 0.00 C ATOM 0 H ALA A 9 129.990 11.478 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 9 129.442 12.875 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 9 128.519 10.826 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 9 127.474 11.439 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 128.526 10.033 0.828 1.00 0.00 H new ATOM 97 N MET A 10 131.974 11.929 0.717 1.00 0.00 N ATOM 98 CA MET A 10 133.332 11.475 0.996 1.00 0.00 C ATOM 99 C MET A 10 134.283 12.661 1.158 1.00 0.00 C ATOM 100 O MET A 10 135.242 12.808 0.401 1.00 0.00 O ATOM 101 CB MET A 10 133.825 10.557 -0.127 1.00 0.00 C ATOM 102 CG MET A 10 133.494 11.064 -1.523 1.00 0.00 C ATOM 103 SD MET A 10 134.899 11.857 -2.329 1.00 0.00 S ATOM 104 CE MET A 10 134.803 11.137 -3.965 1.00 0.00 C ATOM 0 H MET A 10 131.917 12.720 0.076 1.00 0.00 H new ATOM 0 HA MET A 10 133.317 10.917 1.932 1.00 0.00 H new ATOM 0 HB2 MET A 10 134.905 10.439 -0.040 1.00 0.00 H new ATOM 0 HB3 MET A 10 133.385 9.569 0.005 1.00 0.00 H new ATOM 0 HG2 MET A 10 133.152 10.230 -2.136 1.00 0.00 H new ATOM 0 HG3 MET A 10 132.669 11.773 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 10 135.609 11.531 -4.584 1.00 0.00 H new ATOM 0 HE2 MET A 10 134.898 10.054 -3.892 1.00 0.00 H new ATOM 0 HE3 MET A 10 133.843 11.388 -4.417 1.00 0.00 H new ATOM 114 N PRO A 11 134.028 13.530 2.154 1.00 0.00 N ATOM 115 CA PRO A 11 134.869 14.707 2.406 1.00 0.00 C ATOM 116 C PRO A 11 136.323 14.343 2.706 1.00 0.00 C ATOM 117 O PRO A 11 137.243 14.934 2.142 1.00 0.00 O ATOM 118 CB PRO A 11 134.223 15.370 3.629 1.00 0.00 C ATOM 119 CG PRO A 11 132.840 14.818 3.694 1.00 0.00 C ATOM 120 CD PRO A 11 132.907 13.439 3.104 1.00 0.00 C ATOM 0 HA PRO A 11 134.915 15.354 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 11 134.780 15.144 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 11 134.209 16.455 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 11 132.483 14.783 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 11 132.145 15.446 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 11 133.088 12.683 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 11 131.977 13.170 2.604 1.00 0.00 H new ATOM 128 N PRO A 12 136.556 13.370 3.608 1.00 0.00 N ATOM 129 CA PRO A 12 137.907 12.949 3.978 1.00 0.00 C ATOM 130 C PRO A 12 138.499 11.939 3.000 1.00 0.00 C ATOM 131 O PRO A 12 139.664 12.044 2.616 1.00 0.00 O ATOM 132 CB PRO A 12 137.694 12.306 5.345 1.00 0.00 C ATOM 133 CG PRO A 12 136.322 11.725 5.275 1.00 0.00 C ATOM 134 CD PRO A 12 135.527 12.609 4.344 1.00 0.00 C ATOM 0 HA PRO A 12 138.612 13.780 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 12 138.441 11.537 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 12 137.773 13.041 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 12 136.353 10.701 4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 12 135.864 11.692 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 12 134.906 12.021 3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 12 134.859 13.271 4.895 1.00 0.00 H new ATOM 142 N GLY A 13 137.695 10.958 2.605 1.00 0.00 N ATOM 143 CA GLY A 13 138.165 9.942 1.680 1.00 0.00 C ATOM 144 C GLY A 13 137.387 9.927 0.380 1.00 0.00 C ATOM 145 O GLY A 13 137.055 10.980 -0.165 1.00 0.00 O ATOM 0 H GLY A 13 136.727 10.848 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 13 139.220 10.113 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 13 138.091 8.963 2.154 1.00 0.00 H new ATOM 149 N ASN A 14 137.097 8.729 -0.117 1.00 0.00 N ATOM 150 CA ASN A 14 136.354 8.576 -1.364 1.00 0.00 C ATOM 151 C ASN A 14 135.392 7.395 -1.282 1.00 0.00 C ATOM 152 O ASN A 14 135.721 6.353 -0.716 1.00 0.00 O ATOM 153 CB ASN A 14 137.318 8.384 -2.536 1.00 0.00 C ATOM 154 CG ASN A 14 138.440 9.403 -2.536 1.00 0.00 C ATOM 155 OD1 ASN A 14 138.425 10.362 -3.307 1.00 0.00 O ATOM 156 ND2 ASN A 14 139.424 9.201 -1.666 1.00 0.00 N ATOM 0 H ASN A 14 137.365 7.849 0.324 1.00 0.00 H new ATOM 0 HA ASN A 14 135.773 9.484 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 14 137.742 7.381 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 14 136.765 8.456 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.206 9.854 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 14 139.397 8.393 -1.044 1.00 0.00 H new ATOM 163 N SER A 15 134.203 7.567 -1.851 1.00 0.00 N ATOM 164 CA SER A 15 133.189 6.517 -1.845 1.00 0.00 C ATOM 165 C SER A 15 132.729 6.212 -0.422 1.00 0.00 C ATOM 166 O SER A 15 131.666 6.664 0.007 1.00 0.00 O ATOM 167 CB SER A 15 133.733 5.247 -2.504 1.00 0.00 C ATOM 168 OG SER A 15 133.356 5.179 -3.869 1.00 0.00 O ATOM 0 H SER A 15 133.917 8.425 -2.323 1.00 0.00 H new ATOM 0 HA SER A 15 132.331 6.873 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 15 134.820 5.228 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 15 133.358 4.370 -1.976 1.00 0.00 H new ATOM 0 HG SER A 15 133.717 4.360 -4.268 1.00 0.00 H new ATOM 174 N HIS A 16 133.533 5.445 0.306 1.00 0.00 N ATOM 175 CA HIS A 16 133.208 5.082 1.680 1.00 0.00 C ATOM 176 C HIS A 16 134.066 5.865 2.668 1.00 0.00 C ATOM 177 O HIS A 16 133.573 6.351 3.686 1.00 0.00 O ATOM 178 CB HIS A 16 133.405 3.580 1.894 1.00 0.00 C ATOM 179 CG HIS A 16 132.249 2.752 1.423 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.753 1.680 2.135 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.490 2.843 0.305 1.00 0.00 C ATOM 182 CE1 HIS A 16 130.739 1.148 1.475 1.00 0.00 C ATOM 183 NE2 HIS A 16 130.560 1.835 0.362 1.00 0.00 N ATOM 0 H HIS A 16 134.416 5.062 -0.033 1.00 0.00 H new ATOM 0 HA HIS A 16 132.162 5.333 1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 16 134.307 3.262 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.569 3.391 2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.597 3.573 -0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 16 130.156 0.296 1.792 1.00 0.00 H new ATOM 0 HE2 HIS A 16 129.846 1.647 -0.342 1.00 0.00 H new ATOM 192 N GLY A 17 135.354 5.982 2.360 1.00 0.00 N ATOM 193 CA GLY A 17 136.261 6.707 3.230 1.00 0.00 C ATOM 194 C GLY A 17 137.602 6.015 3.375 1.00 0.00 C ATOM 195 O GLY A 17 138.004 5.653 4.481 1.00 0.00 O ATOM 0 H GLY A 17 135.785 5.588 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.415 7.711 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.805 6.818 4.214 1.00 0.00 H new ATOM 199 N LEU A 18 138.294 5.830 2.256 1.00 0.00 N ATOM 200 CA LEU A 18 139.598 5.176 2.264 1.00 0.00 C ATOM 201 C LEU A 18 140.706 6.174 2.579 1.00 0.00 C ATOM 202 O LEU A 18 141.119 6.952 1.718 1.00 0.00 O ATOM 203 CB LEU A 18 139.865 4.509 0.913 1.00 0.00 C ATOM 204 CG LEU A 18 138.793 3.519 0.456 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.995 3.149 -1.004 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.812 2.274 1.330 1.00 0.00 C ATOM 0 H LEU A 18 137.974 6.123 1.333 1.00 0.00 H new ATOM 0 HA LEU A 18 139.589 4.414 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.967 5.286 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.821 3.988 0.965 1.00 0.00 H new ATOM 0 HG LEU A 18 137.818 3.996 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.223 2.444 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.932 4.047 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.976 2.691 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.043 1.580 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.789 1.795 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.618 2.553 2.366 1.00 0.00 H new ATOM 218 N GLU A 19 141.185 6.148 3.819 1.00 0.00 N ATOM 219 CA GLU A 19 142.246 7.051 4.248 1.00 0.00 C ATOM 220 C GLU A 19 143.202 6.348 5.207 1.00 0.00 C ATOM 221 O GLU A 19 143.061 5.156 5.479 1.00 0.00 O ATOM 222 CB GLU A 19 141.650 8.289 4.919 1.00 0.00 C ATOM 223 CG GLU A 19 140.820 7.972 6.152 1.00 0.00 C ATOM 224 CD GLU A 19 141.049 8.961 7.279 1.00 0.00 C ATOM 225 OE1 GLU A 19 142.219 9.330 7.517 1.00 0.00 O ATOM 226 OE2 GLU A 19 140.058 9.368 7.922 1.00 0.00 O ATOM 0 H GLU A 19 140.855 5.511 4.544 1.00 0.00 H new ATOM 0 HA GLU A 19 142.806 7.360 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.458 8.965 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 141.027 8.818 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.764 7.971 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 141.062 6.968 6.500 1.00 0.00 H new ATOM 233 N VAL A 20 144.175 7.096 5.717 1.00 0.00 N ATOM 234 CA VAL A 20 145.156 6.545 6.647 1.00 0.00 C ATOM 235 C VAL A 20 144.476 5.973 7.886 1.00 0.00 C ATOM 236 O VAL A 20 143.563 6.582 8.443 1.00 0.00 O ATOM 237 CB VAL A 20 146.178 7.612 7.081 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.289 6.984 7.908 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.748 8.330 5.868 1.00 0.00 C ATOM 0 H VAL A 20 144.306 8.085 5.503 1.00 0.00 H new ATOM 0 HA VAL A 20 145.678 5.746 6.121 1.00 0.00 H new ATOM 0 HB VAL A 20 145.666 8.347 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 20 148.001 7.754 8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.863 6.521 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.801 6.226 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.468 9.080 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.244 7.609 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.941 8.816 5.320 1.00 0.00 H new ATOM 249 N GLY A 21 144.928 4.797 8.312 1.00 0.00 N ATOM 250 CA GLY A 21 144.352 4.163 9.482 1.00 0.00 C ATOM 251 C GLY A 21 143.278 3.154 9.125 1.00 0.00 C ATOM 252 O GLY A 21 143.175 2.098 9.750 1.00 0.00 O ATOM 0 H GLY A 21 145.682 4.273 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.140 3.665 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.927 4.927 10.133 1.00 0.00 H new ATOM 256 N SER A 22 142.474 3.480 8.118 1.00 0.00 N ATOM 257 CA SER A 22 141.402 2.595 7.678 1.00 0.00 C ATOM 258 C SER A 22 141.949 1.470 6.805 1.00 0.00 C ATOM 259 O SER A 22 142.939 1.645 6.095 1.00 0.00 O ATOM 260 CB SER A 22 140.344 3.385 6.907 1.00 0.00 C ATOM 261 OG SER A 22 140.269 4.723 7.368 1.00 0.00 O ATOM 0 H SER A 22 142.545 4.351 7.591 1.00 0.00 H new ATOM 0 HA SER A 22 140.943 2.154 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.583 3.376 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.373 2.903 7.019 1.00 0.00 H new ATOM 0 HG SER A 22 139.587 5.207 6.858 1.00 0.00 H new ATOM 267 N LEU A 23 141.298 0.312 6.864 1.00 0.00 N ATOM 268 CA LEU A 23 141.719 -0.842 6.079 1.00 0.00 C ATOM 269 C LEU A 23 141.156 -0.772 4.664 1.00 0.00 C ATOM 270 O LEU A 23 140.073 -0.229 4.441 1.00 0.00 O ATOM 271 CB LEU A 23 141.267 -2.138 6.756 1.00 0.00 C ATOM 272 CG LEU A 23 141.762 -2.325 8.192 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.763 -3.143 8.997 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.129 -2.990 8.201 1.00 0.00 C ATOM 0 H LEU A 23 140.477 0.149 7.447 1.00 0.00 H new ATOM 0 HA LEU A 23 142.807 -0.831 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.177 -2.169 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.610 -2.982 6.157 1.00 0.00 H new ATOM 0 HG LEU A 23 141.855 -1.343 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.131 -3.266 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.803 -2.627 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.639 -4.122 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.466 -3.115 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.062 -3.966 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.841 -2.366 7.660 1.00 0.00 H new ATOM 286 N ALA A 24 141.896 -1.326 3.709 1.00 0.00 N ATOM 287 CA ALA A 24 141.472 -1.326 2.314 1.00 0.00 C ATOM 288 C ALA A 24 142.116 -2.474 1.545 1.00 0.00 C ATOM 289 O ALA A 24 143.252 -2.858 1.820 1.00 0.00 O ATOM 290 CB ALA A 24 141.806 0.005 1.660 1.00 0.00 C ATOM 0 H ALA A 24 142.793 -1.781 3.876 1.00 0.00 H new ATOM 0 HA ALA A 24 140.392 -1.468 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.484 -0.010 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.292 0.809 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 24 142.882 0.172 1.704 1.00 0.00 H new ATOM 296 N GLU A 25 141.383 -3.016 0.578 1.00 0.00 N ATOM 297 CA GLU A 25 141.883 -4.121 -0.233 1.00 0.00 C ATOM 298 C GLU A 25 142.149 -3.669 -1.665 1.00 0.00 C ATOM 299 O GLU A 25 141.544 -2.711 -2.146 1.00 0.00 O ATOM 300 CB GLU A 25 140.883 -5.278 -0.229 1.00 0.00 C ATOM 301 CG GLU A 25 141.402 -6.533 -0.912 1.00 0.00 C ATOM 302 CD GLU A 25 140.359 -7.631 -0.983 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.420 -7.612 -0.159 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.483 -8.511 -1.860 1.00 0.00 O ATOM 0 H GLU A 25 140.441 -2.708 0.337 1.00 0.00 H new ATOM 0 HA GLU A 25 142.823 -4.461 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.621 -5.517 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 25 139.967 -4.957 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 25 141.731 -6.284 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.275 -6.901 -0.373 1.00 0.00 H new ATOM 311 N VAL A 26 143.058 -4.363 -2.340 1.00 0.00 N ATOM 312 CA VAL A 26 143.405 -4.034 -3.718 1.00 0.00 C ATOM 313 C VAL A 26 143.016 -5.163 -4.667 1.00 0.00 C ATOM 314 O VAL A 26 142.958 -6.327 -4.272 1.00 0.00 O ATOM 315 CB VAL A 26 144.911 -3.750 -3.867 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.220 -3.217 -5.257 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.378 -2.775 -2.798 1.00 0.00 C ATOM 0 H VAL A 26 143.569 -5.158 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 26 142.847 -3.135 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 26 145.453 -4.686 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.289 -3.022 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 144.924 -3.954 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.668 -2.292 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.445 -2.586 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 26 144.830 -1.838 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.195 -3.201 -1.812 1.00 0.00 H new ATOM 327 N LYS A 27 142.751 -4.810 -5.921 1.00 0.00 N ATOM 328 CA LYS A 27 142.369 -5.793 -6.927 1.00 0.00 C ATOM 329 C LYS A 27 143.583 -6.248 -7.731 1.00 0.00 C ATOM 330 O LYS A 27 144.100 -5.507 -8.567 1.00 0.00 O ATOM 331 CB LYS A 27 141.311 -5.209 -7.865 1.00 0.00 C ATOM 332 CG LYS A 27 140.596 -6.257 -8.703 1.00 0.00 C ATOM 333 CD LYS A 27 139.384 -5.672 -9.410 1.00 0.00 C ATOM 334 CE LYS A 27 139.017 -6.478 -10.646 1.00 0.00 C ATOM 335 NZ LYS A 27 137.542 -6.568 -10.832 1.00 0.00 N ATOM 0 H LYS A 27 142.794 -3.850 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 27 141.951 -6.659 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.575 -4.664 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.785 -4.486 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.286 -6.668 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.283 -7.083 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.537 -5.650 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.591 -4.640 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.467 -6.018 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 27 139.434 -7.481 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.333 -7.125 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.115 -7.030 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.146 -5.612 -10.938 1.00 0.00 H new ATOM 349 N GLU A 28 144.031 -7.473 -7.475 1.00 0.00 N ATOM 350 CA GLU A 28 145.184 -8.026 -8.174 1.00 0.00 C ATOM 351 C GLU A 28 145.135 -9.551 -8.180 1.00 0.00 C ATOM 352 O GLU A 28 144.125 -10.152 -7.814 1.00 0.00 O ATOM 353 CB GLU A 28 146.483 -7.545 -7.523 1.00 0.00 C ATOM 354 CG GLU A 28 147.503 -7.017 -8.517 1.00 0.00 C ATOM 355 CD GLU A 28 148.752 -7.873 -8.585 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.528 -7.872 -7.606 1.00 0.00 O ATOM 357 OE2 GLU A 28 148.955 -8.548 -9.617 1.00 0.00 O ATOM 0 H GLU A 28 143.613 -8.101 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 28 145.155 -7.676 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.250 -6.760 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 28 146.926 -8.369 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.048 -6.967 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.780 -5.999 -8.241 1.00 0.00 H new ATOM 364 N ASN A 29 146.234 -10.172 -8.599 1.00 0.00 N ATOM 365 CA ASN A 29 146.317 -11.626 -8.650 1.00 0.00 C ATOM 366 C ASN A 29 146.467 -12.213 -7.249 1.00 0.00 C ATOM 367 O ASN A 29 145.645 -13.020 -6.814 1.00 0.00 O ATOM 368 CB ASN A 29 147.493 -12.059 -9.529 1.00 0.00 C ATOM 369 CG ASN A 29 147.063 -12.398 -10.943 1.00 0.00 C ATOM 370 OD1 ASN A 29 146.874 -13.566 -11.284 1.00 0.00 O ATOM 371 ND2 ASN A 29 146.907 -11.375 -11.776 1.00 0.00 N ATOM 0 H ASN A 29 147.078 -9.690 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 29 145.391 -12.004 -9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.234 -11.260 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.978 -12.927 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.620 -11.542 -12.740 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.074 -10.423 -11.451 1.00 0.00 H new ATOM 378 N PRO A 30 147.526 -11.816 -6.522 1.00 0.00 N ATOM 379 CA PRO A 30 147.782 -12.306 -5.166 1.00 0.00 C ATOM 380 C PRO A 30 146.884 -11.635 -4.126 1.00 0.00 C ATOM 381 O PRO A 30 147.049 -10.453 -3.828 1.00 0.00 O ATOM 382 CB PRO A 30 149.243 -11.926 -4.932 1.00 0.00 C ATOM 383 CG PRO A 30 149.448 -10.704 -5.760 1.00 0.00 C ATOM 384 CD PRO A 30 148.557 -10.856 -6.965 1.00 0.00 C ATOM 0 HA PRO A 30 147.579 -13.373 -5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.438 -11.728 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.915 -12.728 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.192 -9.806 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.492 -10.607 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.116 -9.903 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.110 -11.231 -7.826 1.00 0.00 H new ATOM 392 N PRO A 31 145.919 -12.382 -3.559 1.00 0.00 N ATOM 393 CA PRO A 31 145.001 -11.844 -2.550 1.00 0.00 C ATOM 394 C PRO A 31 145.700 -11.555 -1.226 1.00 0.00 C ATOM 395 O PRO A 31 146.226 -12.461 -0.579 1.00 0.00 O ATOM 396 CB PRO A 31 143.968 -12.960 -2.376 1.00 0.00 C ATOM 397 CG PRO A 31 144.686 -14.204 -2.768 1.00 0.00 C ATOM 398 CD PRO A 31 145.648 -13.802 -3.851 1.00 0.00 C ATOM 0 HA PRO A 31 144.571 -10.891 -2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.614 -13.015 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.094 -12.792 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.214 -14.635 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.988 -14.961 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.559 -14.399 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.214 -13.933 -4.842 1.00 0.00 H new ATOM 406 N PHE A 32 145.703 -10.287 -0.828 1.00 0.00 N ATOM 407 CA PHE A 32 146.338 -9.878 0.420 1.00 0.00 C ATOM 408 C PHE A 32 145.479 -8.858 1.160 1.00 0.00 C ATOM 409 O PHE A 32 144.591 -8.238 0.574 1.00 0.00 O ATOM 410 CB PHE A 32 147.723 -9.291 0.142 1.00 0.00 C ATOM 411 CG PHE A 32 147.736 -8.287 -0.975 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.060 -7.083 -0.851 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.424 -8.547 -2.150 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.070 -6.158 -1.878 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.438 -7.626 -3.180 1.00 0.00 C ATOM 416 CZ PHE A 32 147.760 -6.429 -3.044 1.00 0.00 C ATOM 0 H PHE A 32 145.273 -9.525 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 32 146.444 -10.760 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.097 -8.817 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.410 -10.102 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.519 -6.865 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 32 148.955 -9.481 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.539 -5.224 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.978 -7.841 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.770 -5.707 -3.847 1.00 0.00 H new ATOM 426 N TYR A 33 145.750 -8.690 2.450 1.00 0.00 N ATOM 427 CA TYR A 33 145.001 -7.746 3.272 1.00 0.00 C ATOM 428 C TYR A 33 145.945 -6.812 4.022 1.00 0.00 C ATOM 429 O TYR A 33 146.943 -7.251 4.594 1.00 0.00 O ATOM 430 CB TYR A 33 144.109 -8.494 4.264 1.00 0.00 C ATOM 431 CG TYR A 33 142.774 -8.908 3.687 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.973 -7.993 3.014 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.316 -10.213 3.813 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.752 -8.368 2.486 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.097 -10.594 3.287 1.00 0.00 C ATOM 436 CZ TYR A 33 140.319 -9.668 2.625 1.00 0.00 C ATOM 437 OH TYR A 33 139.104 -10.045 2.099 1.00 0.00 O ATOM 0 H TYR A 33 146.482 -9.195 2.949 1.00 0.00 H new ATOM 0 HA TYR A 33 144.373 -7.147 2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.635 -9.382 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.938 -7.861 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.310 -6.973 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.923 -10.941 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.140 -7.645 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.755 -11.613 3.394 1.00 0.00 H new ATOM 0 HH TYR A 33 138.949 -10.995 2.283 1.00 0.00 H new ATOM 447 N GLY A 34 145.623 -5.522 4.016 1.00 0.00 N ATOM 448 CA GLY A 34 146.453 -4.548 4.700 1.00 0.00 C ATOM 449 C GLY A 34 145.682 -3.302 5.091 1.00 0.00 C ATOM 450 O GLY A 34 144.454 -3.272 5.009 1.00 0.00 O ATOM 0 H GLY A 34 144.803 -5.134 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.880 -5.003 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.286 -4.269 4.055 1.00 0.00 H new ATOM 454 N VAL A 35 146.405 -2.272 5.520 1.00 0.00 N ATOM 455 CA VAL A 35 145.783 -1.018 5.927 1.00 0.00 C ATOM 456 C VAL A 35 146.505 0.177 5.313 1.00 0.00 C ATOM 457 O VAL A 35 147.721 0.150 5.125 1.00 0.00 O ATOM 458 CB VAL A 35 145.769 -0.870 7.462 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.188 -0.848 8.012 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.010 0.383 7.873 1.00 0.00 C ATOM 0 H VAL A 35 147.422 -2.282 5.595 1.00 0.00 H new ATOM 0 HA VAL A 35 144.755 -1.040 5.565 1.00 0.00 H new ATOM 0 HB VAL A 35 145.254 -1.733 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.156 -0.743 9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.693 -1.778 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.732 -0.007 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.012 0.469 8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.492 1.259 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.982 0.319 7.516 1.00 0.00 H new ATOM 470 N ILE A 36 145.747 1.224 5.003 1.00 0.00 N ATOM 471 CA ILE A 36 146.316 2.429 4.411 1.00 0.00 C ATOM 472 C ILE A 36 147.242 3.136 5.395 1.00 0.00 C ATOM 473 O ILE A 36 146.961 3.200 6.592 1.00 0.00 O ATOM 474 CB ILE A 36 145.216 3.410 3.960 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.192 2.693 3.078 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.828 4.590 3.218 1.00 0.00 C ATOM 477 CD1 ILE A 36 143.055 3.584 2.627 1.00 0.00 C ATOM 0 H ILE A 36 144.739 1.262 5.152 1.00 0.00 H new ATOM 0 HA ILE A 36 146.888 2.114 3.538 1.00 0.00 H new ATOM 0 HB ILE A 36 144.704 3.789 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.698 2.291 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.783 1.845 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 145.038 5.273 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.522 5.113 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.363 4.229 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.367 3.010 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.524 3.966 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.454 4.419 2.051 1.00 0.00 H new ATOM 489 N ARG A 37 148.348 3.667 4.882 1.00 0.00 N ATOM 490 CA ARG A 37 149.317 4.368 5.718 1.00 0.00 C ATOM 491 C ARG A 37 149.519 5.800 5.231 1.00 0.00 C ATOM 492 O ARG A 37 149.161 6.756 5.921 1.00 0.00 O ATOM 493 CB ARG A 37 150.653 3.625 5.718 1.00 0.00 C ATOM 494 CG ARG A 37 150.520 2.138 6.004 1.00 0.00 C ATOM 495 CD ARG A 37 150.448 1.861 7.496 1.00 0.00 C ATOM 496 NE ARG A 37 149.225 2.391 8.094 1.00 0.00 N ATOM 497 CZ ARG A 37 149.068 2.601 9.399 1.00 0.00 C ATOM 498 NH1 ARG A 37 150.053 2.328 10.246 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.924 3.087 9.859 1.00 0.00 N ATOM 0 H ARG A 37 148.595 3.625 3.893 1.00 0.00 H new ATOM 0 HA ARG A 37 148.927 4.400 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.134 3.759 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.309 4.073 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.624 1.752 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.370 1.607 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.499 0.786 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 37 151.314 2.304 7.989 1.00 0.00 H new ATOM 0 HE ARG A 37 148.445 2.613 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.936 1.955 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.927 2.491 11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 37 147.164 3.300 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.804 3.248 10.859 1.00 0.00 H new ATOM 513 N TRP A 38 150.092 5.942 4.041 1.00 0.00 N ATOM 514 CA TRP A 38 150.340 7.259 3.465 1.00 0.00 C ATOM 515 C TRP A 38 149.621 7.414 2.128 1.00 0.00 C ATOM 516 O TRP A 38 149.714 6.549 1.257 1.00 0.00 O ATOM 517 CB TRP A 38 151.845 7.487 3.282 1.00 0.00 C ATOM 518 CG TRP A 38 152.172 8.692 2.450 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.385 9.965 2.896 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.315 8.736 1.025 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.652 10.798 1.836 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.614 10.067 0.677 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.218 7.779 0.011 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.818 10.462 -0.644 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.421 8.174 -1.298 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.718 9.504 -1.616 1.00 0.00 C ATOM 0 H TRP A 38 150.393 5.162 3.457 1.00 0.00 H new ATOM 0 HA TRP A 38 149.949 8.008 4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.310 7.595 4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.284 6.604 2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.349 10.272 3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.847 11.797 1.901 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.989 6.750 0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.047 11.488 -0.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.349 7.443 -2.090 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.871 9.780 -2.649 1.00 0.00 H new ATOM 537 N ILE A 39 148.914 8.527 1.971 1.00 0.00 N ATOM 538 CA ILE A 39 148.186 8.807 0.740 1.00 0.00 C ATOM 539 C ILE A 39 148.655 10.121 0.126 1.00 0.00 C ATOM 540 O ILE A 39 148.335 11.200 0.627 1.00 0.00 O ATOM 541 CB ILE A 39 146.667 8.879 0.986 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.190 7.640 1.748 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.921 9.014 -0.333 1.00 0.00 C ATOM 544 CD1 ILE A 39 145.160 7.947 2.814 1.00 0.00 C ATOM 0 H ILE A 39 148.830 9.252 2.683 1.00 0.00 H new ATOM 0 HA ILE A 39 148.391 7.987 0.052 1.00 0.00 H new ATOM 0 HB ILE A 39 146.456 9.759 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.767 6.928 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 39 147.049 7.156 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.849 9.064 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.241 9.924 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.137 8.151 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.867 7.024 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 39 145.586 8.635 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.284 8.404 2.353 1.00 0.00 H new ATOM 556 N GLY A 40 149.421 10.027 -0.956 1.00 0.00 N ATOM 557 CA GLY A 40 149.925 11.219 -1.610 1.00 0.00 C ATOM 558 C GLY A 40 150.479 10.940 -2.992 1.00 0.00 C ATOM 559 O GLY A 40 150.290 9.853 -3.539 1.00 0.00 O ATOM 0 H GLY A 40 149.701 9.148 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.123 11.953 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.706 11.664 -0.993 1.00 0.00 H new ATOM 563 N GLN A 41 151.164 11.928 -3.558 1.00 0.00 N ATOM 564 CA GLN A 41 151.749 11.795 -4.885 1.00 0.00 C ATOM 565 C GLN A 41 153.233 12.162 -4.861 1.00 0.00 C ATOM 566 O GLN A 41 153.589 13.310 -4.593 1.00 0.00 O ATOM 567 CB GLN A 41 151.006 12.692 -5.874 1.00 0.00 C ATOM 568 CG GLN A 41 149.494 12.552 -5.804 1.00 0.00 C ATOM 569 CD GLN A 41 148.780 13.884 -5.930 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.762 14.682 -4.993 1.00 0.00 O ATOM 571 NE2 GLN A 41 148.187 14.129 -7.091 1.00 0.00 N ATOM 0 H GLN A 41 151.327 12.832 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 41 151.655 10.756 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.276 13.731 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.338 12.457 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.157 11.886 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.219 12.084 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.228 13.438 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.690 15.008 -7.234 1.00 0.00 H new ATOM 580 N PRO A 42 154.123 11.192 -5.140 1.00 0.00 N ATOM 581 CA PRO A 42 155.571 11.431 -5.144 1.00 0.00 C ATOM 582 C PRO A 42 155.970 12.538 -6.115 1.00 0.00 C ATOM 583 O PRO A 42 155.226 12.862 -7.040 1.00 0.00 O ATOM 584 CB PRO A 42 156.160 10.089 -5.592 1.00 0.00 C ATOM 585 CG PRO A 42 155.105 9.086 -5.277 1.00 0.00 C ATOM 586 CD PRO A 42 153.796 9.795 -5.471 1.00 0.00 C ATOM 0 HA PRO A 42 155.930 11.760 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.394 10.096 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.087 9.868 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.181 8.219 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.205 8.722 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.432 9.697 -6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.020 9.396 -4.817 1.00 0.00 H new ATOM 594 N PRO A 43 157.157 13.135 -5.916 1.00 0.00 N ATOM 595 CA PRO A 43 157.653 14.210 -6.779 1.00 0.00 C ATOM 596 C PRO A 43 158.072 13.701 -8.154 1.00 0.00 C ATOM 597 O PRO A 43 159.237 13.372 -8.377 1.00 0.00 O ATOM 598 CB PRO A 43 158.867 14.743 -6.019 1.00 0.00 C ATOM 599 CG PRO A 43 159.338 13.593 -5.199 1.00 0.00 C ATOM 600 CD PRO A 43 158.107 12.807 -4.836 1.00 0.00 C ATOM 0 HA PRO A 43 156.888 14.962 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.643 15.085 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.599 15.593 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.042 12.978 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.857 13.939 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.312 11.737 -4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.720 13.097 -3.859 1.00 0.00 H new ATOM 608 N GLY A 44 157.115 13.641 -9.073 1.00 0.00 N ATOM 609 CA GLY A 44 157.408 13.172 -10.414 1.00 0.00 C ATOM 610 C GLY A 44 156.177 12.664 -11.134 1.00 0.00 C ATOM 611 O GLY A 44 155.900 13.064 -12.265 1.00 0.00 O ATOM 0 H GLY A 44 156.144 13.908 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.852 13.984 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.149 12.375 -10.362 1.00 0.00 H new ATOM 615 N LEU A 45 155.434 11.777 -10.479 1.00 0.00 N ATOM 616 CA LEU A 45 154.226 11.214 -11.068 1.00 0.00 C ATOM 617 C LEU A 45 153.012 11.507 -10.196 1.00 0.00 C ATOM 618 O LEU A 45 152.895 10.989 -9.086 1.00 0.00 O ATOM 619 CB LEU A 45 154.382 9.704 -11.255 1.00 0.00 C ATOM 620 CG LEU A 45 154.896 8.948 -10.027 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.503 7.479 -10.098 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.407 9.097 -9.903 1.00 0.00 C ATOM 0 H LEU A 45 155.647 11.434 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 45 154.073 11.680 -12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.416 9.287 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.065 9.525 -12.085 1.00 0.00 H new ATOM 0 HG LEU A 45 154.435 9.380 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.878 6.959 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.417 7.394 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.933 7.030 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.755 8.553 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.887 8.692 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.661 10.152 -9.801 1.00 0.00 H new ATOM 634 N ASN A 46 152.106 12.339 -10.702 1.00 0.00 N ATOM 635 CA ASN A 46 150.905 12.688 -9.956 1.00 0.00 C ATOM 636 C ASN A 46 149.929 11.517 -9.931 1.00 0.00 C ATOM 637 O ASN A 46 149.305 11.193 -10.942 1.00 0.00 O ATOM 638 CB ASN A 46 150.233 13.914 -10.577 1.00 0.00 C ATOM 639 CG ASN A 46 149.461 14.730 -9.558 1.00 0.00 C ATOM 640 OD1 ASN A 46 150.024 15.208 -8.573 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.164 14.891 -9.790 1.00 0.00 N ATOM 0 H ASN A 46 152.181 12.780 -11.619 1.00 0.00 H new ATOM 0 HA ASN A 46 151.194 12.922 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.991 14.543 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.556 13.592 -11.368 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.592 15.429 -9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.739 14.477 -10.620 1.00 0.00 H new ATOM 648 N GLU A 47 149.803 10.889 -8.768 1.00 0.00 N ATOM 649 CA GLU A 47 148.906 9.754 -8.603 1.00 0.00 C ATOM 650 C GLU A 47 148.706 9.434 -7.126 1.00 0.00 C ATOM 651 O GLU A 47 149.665 9.143 -6.412 1.00 0.00 O ATOM 652 CB GLU A 47 149.452 8.526 -9.334 1.00 0.00 C ATOM 653 CG GLU A 47 150.963 8.373 -9.232 1.00 0.00 C ATOM 654 CD GLU A 47 151.518 7.390 -10.243 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.557 7.732 -11.444 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.914 6.278 -9.835 1.00 0.00 O ATOM 0 H GLU A 47 150.313 11.148 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 47 147.942 10.021 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.977 7.632 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.172 8.586 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.434 9.345 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.224 8.041 -8.227 1.00 0.00 H new ATOM 663 N VAL A 48 147.460 9.485 -6.673 1.00 0.00 N ATOM 664 CA VAL A 48 147.149 9.192 -5.280 1.00 0.00 C ATOM 665 C VAL A 48 147.473 7.740 -4.951 1.00 0.00 C ATOM 666 O VAL A 48 146.697 6.836 -5.256 1.00 0.00 O ATOM 667 CB VAL A 48 145.667 9.463 -4.963 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.413 9.366 -3.467 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.247 10.826 -5.495 1.00 0.00 C ATOM 0 H VAL A 48 146.652 9.725 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 48 147.764 9.852 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 48 145.064 8.703 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.360 9.561 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.671 8.366 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.025 10.102 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.197 11.000 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.855 11.601 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.388 10.854 -6.575 1.00 0.00 H new ATOM 679 N LEU A 49 148.628 7.523 -4.329 1.00 0.00 N ATOM 680 CA LEU A 49 149.056 6.179 -3.963 1.00 0.00 C ATOM 681 C LEU A 49 148.967 5.975 -2.457 1.00 0.00 C ATOM 682 O LEU A 49 149.649 6.651 -1.687 1.00 0.00 O ATOM 683 CB LEU A 49 150.488 5.931 -4.439 1.00 0.00 C ATOM 684 CG LEU A 49 150.689 6.006 -5.954 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.159 6.205 -6.288 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.153 4.752 -6.626 1.00 0.00 C ATOM 0 H LEU A 49 149.283 8.260 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 49 148.390 5.466 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.144 6.661 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.804 4.946 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 49 150.132 6.863 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.283 6.256 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.512 7.133 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.738 5.369 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.305 4.823 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.681 3.879 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.088 4.653 -6.415 1.00 0.00 H new ATOM 698 N ALA A 50 148.121 5.041 -2.041 1.00 0.00 N ATOM 699 CA ALA A 50 147.945 4.752 -0.626 1.00 0.00 C ATOM 700 C ALA A 50 148.882 3.638 -0.173 1.00 0.00 C ATOM 701 O ALA A 50 148.766 2.496 -0.616 1.00 0.00 O ATOM 702 CB ALA A 50 146.498 4.377 -0.339 1.00 0.00 C ATOM 0 H ALA A 50 147.547 4.472 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 50 148.194 5.652 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.381 4.163 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.846 5.205 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.229 3.494 -0.918 1.00 0.00 H new ATOM 708 N GLY A 51 149.813 3.979 0.712 1.00 0.00 N ATOM 709 CA GLY A 51 150.760 2.998 1.211 1.00 0.00 C ATOM 710 C GLY A 51 150.106 1.965 2.109 1.00 0.00 C ATOM 711 O GLY A 51 149.797 2.248 3.266 1.00 0.00 O ATOM 0 H GLY A 51 149.929 4.918 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.235 2.494 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.549 3.508 1.764 1.00 0.00 H new ATOM 715 N LEU A 52 149.894 0.768 1.575 1.00 0.00 N ATOM 716 CA LEU A 52 149.273 -0.310 2.338 1.00 0.00 C ATOM 717 C LEU A 52 150.326 -1.142 3.061 1.00 0.00 C ATOM 718 O LEU A 52 151.468 -1.243 2.613 1.00 0.00 O ATOM 719 CB LEU A 52 148.444 -1.205 1.414 1.00 0.00 C ATOM 720 CG LEU A 52 147.167 -0.566 0.868 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.575 -1.421 -0.242 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.154 -0.361 1.984 1.00 0.00 C ATOM 0 H LEU A 52 150.142 0.519 0.618 1.00 0.00 H new ATOM 0 HA LEU A 52 148.616 0.138 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 52 149.067 -1.510 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.175 -2.111 1.957 1.00 0.00 H new ATOM 0 HG LEU A 52 147.421 0.409 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.667 -0.951 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.297 -1.516 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.336 -2.410 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.251 0.095 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.905 -1.324 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.579 0.293 2.745 1.00 0.00 H new ATOM 734 N GLU A 53 149.934 -1.737 4.184 1.00 0.00 N ATOM 735 CA GLU A 53 150.845 -2.562 4.970 1.00 0.00 C ATOM 736 C GLU A 53 150.352 -4.005 5.036 1.00 0.00 C ATOM 737 O GLU A 53 149.404 -4.315 5.758 1.00 0.00 O ATOM 738 CB GLU A 53 150.988 -1.995 6.383 1.00 0.00 C ATOM 739 CG GLU A 53 151.949 -2.780 7.260 1.00 0.00 C ATOM 740 CD GLU A 53 151.396 -3.037 8.648 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.544 -2.245 9.104 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.814 -4.030 9.281 1.00 0.00 O ATOM 0 H GLU A 53 148.993 -1.663 4.570 1.00 0.00 H new ATOM 0 HA GLU A 53 151.819 -2.552 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.330 -0.962 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.008 -1.977 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.176 -3.733 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.888 -2.233 7.343 1.00 0.00 H new ATOM 749 N LEU A 54 151.002 -4.881 4.279 1.00 0.00 N ATOM 750 CA LEU A 54 150.631 -6.290 4.251 1.00 0.00 C ATOM 751 C LEU A 54 150.942 -6.961 5.585 1.00 0.00 C ATOM 752 O LEU A 54 152.009 -6.752 6.162 1.00 0.00 O ATOM 753 CB LEU A 54 151.366 -7.013 3.120 1.00 0.00 C ATOM 754 CG LEU A 54 151.264 -6.341 1.750 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.286 -6.930 0.790 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.857 -6.487 1.190 1.00 0.00 C ATOM 0 H LEU A 54 151.789 -4.640 3.676 1.00 0.00 H new ATOM 0 HA LEU A 54 149.557 -6.352 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.419 -7.099 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.973 -8.027 3.041 1.00 0.00 H new ATOM 0 HG LEU A 54 151.478 -5.279 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.199 -6.440 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.289 -6.775 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.103 -7.998 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.802 -6.003 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.615 -7.545 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.145 -6.018 1.869 1.00 0.00 H new ATOM 768 N GLU A 55 150.004 -7.769 6.069 1.00 0.00 N ATOM 769 CA GLU A 55 150.179 -8.471 7.335 1.00 0.00 C ATOM 770 C GLU A 55 151.238 -9.562 7.211 1.00 0.00 C ATOM 771 O GLU A 55 151.998 -9.812 8.146 1.00 0.00 O ATOM 772 CB GLU A 55 148.852 -9.081 7.792 1.00 0.00 C ATOM 773 CG GLU A 55 147.840 -8.051 8.264 1.00 0.00 C ATOM 774 CD GLU A 55 146.466 -8.647 8.494 1.00 0.00 C ATOM 775 OE1 GLU A 55 145.665 -8.681 7.536 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.189 -9.080 9.633 1.00 0.00 O ATOM 0 H GLU A 55 149.115 -7.954 5.604 1.00 0.00 H new ATOM 0 HA GLU A 55 150.514 -7.748 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.421 -9.651 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.045 -9.786 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.194 -7.596 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.767 -7.253 7.525 1.00 0.00 H new ATOM 783 N ASP A 56 151.281 -10.208 6.050 1.00 0.00 N ATOM 784 CA ASP A 56 152.247 -11.271 5.804 1.00 0.00 C ATOM 785 C ASP A 56 153.564 -10.701 5.286 1.00 0.00 C ATOM 786 O ASP A 56 153.588 -9.960 4.303 1.00 0.00 O ATOM 787 CB ASP A 56 151.682 -12.279 4.800 1.00 0.00 C ATOM 788 CG ASP A 56 151.146 -13.527 5.473 1.00 0.00 C ATOM 789 OD1 ASP A 56 150.215 -13.404 6.297 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.658 -14.628 5.177 1.00 0.00 O ATOM 0 H ASP A 56 150.658 -10.014 5.266 1.00 0.00 H new ATOM 0 HA ASP A 56 152.440 -11.779 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.884 -11.808 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.462 -12.558 4.092 1.00 0.00 H new ATOM 795 N GLU A 57 154.658 -11.051 5.955 1.00 0.00 N ATOM 796 CA GLU A 57 155.979 -10.573 5.561 1.00 0.00 C ATOM 797 C GLU A 57 156.430 -11.230 4.261 1.00 0.00 C ATOM 798 O GLU A 57 157.105 -12.259 4.276 1.00 0.00 O ATOM 799 CB GLU A 57 156.996 -10.855 6.669 1.00 0.00 C ATOM 800 CG GLU A 57 156.796 -10.001 7.910 1.00 0.00 C ATOM 801 CD GLU A 57 156.996 -10.782 9.194 1.00 0.00 C ATOM 802 OE1 GLU A 57 156.719 -12.000 9.197 1.00 0.00 O ATOM 803 OE2 GLU A 57 157.428 -10.176 10.197 1.00 0.00 O ATOM 0 H GLU A 57 154.656 -11.663 6.771 1.00 0.00 H new ATOM 0 HA GLU A 57 155.916 -9.497 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.934 -11.907 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.000 -10.687 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.493 -9.163 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.791 -9.580 7.898 1.00 0.00 H new ATOM 810 N CYS A 58 156.053 -10.627 3.138 1.00 0.00 N ATOM 811 CA CYS A 58 156.420 -11.154 1.829 1.00 0.00 C ATOM 812 C CYS A 58 157.732 -10.544 1.345 1.00 0.00 C ATOM 813 O CYS A 58 157.972 -9.349 1.513 1.00 0.00 O ATOM 814 CB CYS A 58 155.309 -10.874 0.814 1.00 0.00 C ATOM 815 SG CYS A 58 153.948 -12.062 0.864 1.00 0.00 S ATOM 0 H CYS A 58 155.494 -9.774 3.108 1.00 0.00 H new ATOM 0 HA CYS A 58 156.554 -12.232 1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.912 -9.875 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.739 -10.872 -0.188 1.00 0.00 H new ATOM 0 HG CYS A 58 153.058 -11.740 -0.028 1.00 0.00 H new ATOM 821 N ALA A 59 158.577 -11.375 0.745 1.00 0.00 N ATOM 822 CA ALA A 59 159.865 -10.917 0.236 1.00 0.00 C ATOM 823 C ALA A 59 159.687 -10.014 -0.978 1.00 0.00 C ATOM 824 O ALA A 59 158.952 -10.344 -1.908 1.00 0.00 O ATOM 825 CB ALA A 59 160.746 -12.107 -0.115 1.00 0.00 C ATOM 0 H ALA A 59 158.394 -12.368 0.599 1.00 0.00 H new ATOM 0 HA ALA A 59 160.351 -10.336 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.704 -11.751 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.910 -12.713 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.255 -12.710 -0.879 1.00 0.00 H new ATOM 831 N GLY A 60 160.363 -8.869 -0.962 1.00 0.00 N ATOM 832 CA GLY A 60 160.266 -7.934 -2.068 1.00 0.00 C ATOM 833 C GLY A 60 159.640 -6.615 -1.658 1.00 0.00 C ATOM 834 O GLY A 60 159.930 -5.573 -2.248 1.00 0.00 O ATOM 0 H GLY A 60 160.976 -8.572 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.261 -7.750 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.674 -8.381 -2.867 1.00 0.00 H new ATOM 838 N CYS A 61 158.781 -6.658 -0.646 1.00 0.00 N ATOM 839 CA CYS A 61 158.113 -5.458 -0.159 1.00 0.00 C ATOM 840 C CYS A 61 159.094 -4.548 0.573 1.00 0.00 C ATOM 841 O CYS A 61 160.188 -4.971 0.946 1.00 0.00 O ATOM 842 CB CYS A 61 156.957 -5.833 0.770 1.00 0.00 C ATOM 843 SG CYS A 61 155.776 -6.994 0.047 1.00 0.00 S ATOM 0 H CYS A 61 158.531 -7.512 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 61 157.718 -4.919 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.365 -6.267 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.427 -4.925 1.058 1.00 0.00 H new ATOM 0 HG CYS A 61 155.254 -7.724 0.988 1.00 0.00 H new ATOM 849 N THR A 62 158.695 -3.297 0.777 1.00 0.00 N ATOM 850 CA THR A 62 159.539 -2.327 1.465 1.00 0.00 C ATOM 851 C THR A 62 159.139 -2.201 2.932 1.00 0.00 C ATOM 852 O THR A 62 158.254 -2.912 3.407 1.00 0.00 O ATOM 853 CB THR A 62 159.447 -0.963 0.780 1.00 0.00 C ATOM 854 OG1 THR A 62 158.176 -0.787 0.179 1.00 0.00 O ATOM 855 CG2 THR A 62 160.493 -0.761 -0.297 1.00 0.00 C ATOM 0 H THR A 62 157.792 -2.931 0.475 1.00 0.00 H new ATOM 0 HA THR A 62 160.569 -2.681 1.417 1.00 0.00 H new ATOM 0 HB THR A 62 159.616 -0.232 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.071 0.148 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.371 0.227 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.487 -0.841 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.374 -1.523 -1.067 1.00 0.00 H new ATOM 863 N ASP A 63 159.797 -1.291 3.642 1.00 0.00 N ATOM 864 CA ASP A 63 159.510 -1.071 5.055 1.00 0.00 C ATOM 865 C ASP A 63 158.823 0.274 5.267 1.00 0.00 C ATOM 866 O ASP A 63 158.994 0.913 6.306 1.00 0.00 O ATOM 867 CB ASP A 63 160.800 -1.132 5.874 1.00 0.00 C ATOM 868 CG ASP A 63 161.816 -0.098 5.431 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.459 1.098 5.371 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.969 -0.483 5.143 1.00 0.00 O ATOM 0 H ASP A 63 160.532 -0.694 3.263 1.00 0.00 H new ATOM 0 HA ASP A 63 158.837 -1.860 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.566 -0.979 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.236 -2.127 5.786 1.00 0.00 H new ATOM 875 N GLY A 64 158.045 0.698 4.277 1.00 0.00 N ATOM 876 CA GLY A 64 157.344 1.966 4.375 1.00 0.00 C ATOM 877 C GLY A 64 158.028 3.069 3.593 1.00 0.00 C ATOM 878 O GLY A 64 158.120 4.204 4.059 1.00 0.00 O ATOM 0 H GLY A 64 157.887 0.187 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.325 1.843 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.273 2.258 5.423 1.00 0.00 H new ATOM 882 N THR A 65 158.508 2.736 2.400 1.00 0.00 N ATOM 883 CA THR A 65 159.188 3.707 1.550 1.00 0.00 C ATOM 884 C THR A 65 158.823 3.496 0.083 1.00 0.00 C ATOM 885 O THR A 65 158.776 2.365 -0.399 1.00 0.00 O ATOM 886 CB THR A 65 160.703 3.602 1.730 1.00 0.00 C ATOM 887 OG1 THR A 65 161.154 2.295 1.424 1.00 0.00 O ATOM 888 CG2 THR A 65 161.162 3.928 3.135 1.00 0.00 C ATOM 0 H THR A 65 158.439 1.801 1.999 1.00 0.00 H new ATOM 0 HA THR A 65 158.862 4.704 1.848 1.00 0.00 H new ATOM 0 HB THR A 65 161.127 4.337 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.126 2.248 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.246 3.834 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 65 160.872 4.948 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.699 3.236 3.839 1.00 0.00 H new ATOM 896 N PHE A 66 158.565 4.594 -0.621 1.00 0.00 N ATOM 897 CA PHE A 66 158.205 4.530 -2.032 1.00 0.00 C ATOM 898 C PHE A 66 159.340 5.050 -2.907 1.00 0.00 C ATOM 899 O PHE A 66 159.609 6.250 -2.942 1.00 0.00 O ATOM 900 CB PHE A 66 156.933 5.338 -2.293 1.00 0.00 C ATOM 901 CG PHE A 66 156.226 4.951 -3.560 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.795 3.648 -3.758 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.992 5.888 -4.553 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.145 3.289 -4.923 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.343 5.534 -5.721 1.00 0.00 C ATOM 906 CZ PHE A 66 154.919 4.232 -5.906 1.00 0.00 C ATOM 0 H PHE A 66 158.599 5.538 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 66 158.022 3.486 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.251 5.209 -1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 66 157.188 6.397 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 66 155.969 2.906 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.321 6.907 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 66 154.814 2.271 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.168 6.274 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.412 3.952 -6.818 1.00 0.00 H new ATOM 916 N ARG A 67 160.001 4.139 -3.614 1.00 0.00 N ATOM 917 CA ARG A 67 161.107 4.506 -4.490 1.00 0.00 C ATOM 918 C ARG A 67 162.211 5.212 -3.708 1.00 0.00 C ATOM 919 O ARG A 67 162.933 6.048 -4.251 1.00 0.00 O ATOM 920 CB ARG A 67 160.612 5.408 -5.622 1.00 0.00 C ATOM 921 CG ARG A 67 159.489 4.794 -6.441 1.00 0.00 C ATOM 922 CD ARG A 67 158.923 5.788 -7.443 1.00 0.00 C ATOM 923 NE ARG A 67 157.777 5.245 -8.167 1.00 0.00 N ATOM 924 CZ ARG A 67 157.880 4.402 -9.192 1.00 0.00 C ATOM 925 NH1 ARG A 67 159.073 4.005 -9.618 1.00 0.00 N ATOM 926 NH2 ARG A 67 156.787 3.955 -9.795 1.00 0.00 N ATOM 0 H ARG A 67 159.790 3.141 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 67 161.517 3.591 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.268 6.352 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.447 5.640 -6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.860 3.915 -6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.695 4.455 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.624 6.697 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.700 6.069 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 67 156.843 5.528 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.918 4.346 -9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 67 159.145 3.359 -10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 67 155.867 4.257 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 67 156.866 3.309 -10.580 1.00 0.00 H new ATOM 940 N GLY A 68 162.335 4.871 -2.429 1.00 0.00 N ATOM 941 CA GLY A 68 163.353 5.483 -1.595 1.00 0.00 C ATOM 942 C GLY A 68 162.794 6.570 -0.696 1.00 0.00 C ATOM 943 O GLY A 68 163.408 6.925 0.310 1.00 0.00 O ATOM 0 H GLY A 68 161.749 4.183 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.824 4.716 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.132 5.906 -2.230 1.00 0.00 H new ATOM 947 N THR A 69 161.630 7.102 -1.058 1.00 0.00 N ATOM 948 CA THR A 69 160.995 8.154 -0.275 1.00 0.00 C ATOM 949 C THR A 69 160.179 7.565 0.871 1.00 0.00 C ATOM 950 O THR A 69 159.128 6.961 0.651 1.00 0.00 O ATOM 951 CB THR A 69 160.098 9.013 -1.167 1.00 0.00 C ATOM 952 OG1 THR A 69 160.773 9.370 -2.361 1.00 0.00 O ATOM 953 CG2 THR A 69 159.637 10.290 -0.501 1.00 0.00 C ATOM 0 H THR A 69 161.109 6.821 -1.888 1.00 0.00 H new ATOM 0 HA THR A 69 161.781 8.780 0.148 1.00 0.00 H new ATOM 0 HB THR A 69 159.224 8.396 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.183 9.918 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.005 10.851 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.070 10.047 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.504 10.893 -0.231 1.00 0.00 H new ATOM 961 N ARG A 70 160.668 7.743 2.093 1.00 0.00 N ATOM 962 CA ARG A 70 159.984 7.230 3.273 1.00 0.00 C ATOM 963 C ARG A 70 158.798 8.116 3.643 1.00 0.00 C ATOM 964 O ARG A 70 158.936 9.332 3.770 1.00 0.00 O ATOM 965 CB ARG A 70 160.953 7.139 4.452 1.00 0.00 C ATOM 966 CG ARG A 70 160.326 6.570 5.714 1.00 0.00 C ATOM 967 CD ARG A 70 160.985 7.127 6.965 1.00 0.00 C ATOM 968 NE ARG A 70 162.129 6.321 7.387 1.00 0.00 N ATOM 969 CZ ARG A 70 162.855 6.575 8.472 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.559 7.610 9.250 1.00 0.00 N ATOM 971 NH2 ARG A 70 163.880 5.793 8.782 1.00 0.00 N ATOM 0 H ARG A 70 161.537 8.239 2.292 1.00 0.00 H new ATOM 0 HA ARG A 70 159.612 6.232 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.802 6.518 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.344 8.133 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.261 6.802 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.415 5.484 5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.312 8.150 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.254 7.169 7.772 1.00 0.00 H new ATOM 0 HE ARG A 70 162.386 5.516 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.771 8.215 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.119 7.800 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.112 4.997 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.437 5.988 9.614 1.00 0.00 H new ATOM 985 N TYR A 71 157.633 7.498 3.811 1.00 0.00 N ATOM 986 CA TYR A 71 156.424 8.231 4.165 1.00 0.00 C ATOM 987 C TYR A 71 155.976 7.891 5.583 1.00 0.00 C ATOM 988 O TYR A 71 155.657 8.779 6.373 1.00 0.00 O ATOM 989 CB TYR A 71 155.302 7.914 3.175 1.00 0.00 C ATOM 990 CG TYR A 71 155.508 8.530 1.808 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.560 9.908 1.648 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.651 7.731 0.681 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.748 10.475 0.401 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.840 8.290 -0.569 1.00 0.00 C ATOM 995 CZ TYR A 71 155.888 9.661 -0.703 1.00 0.00 C ATOM 996 OH TYR A 71 156.075 10.221 -1.946 1.00 0.00 O ATOM 0 H TYR A 71 157.501 6.492 3.708 1.00 0.00 H new ATOM 0 HA TYR A 71 156.650 9.296 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.218 6.833 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.356 8.268 3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.452 10.548 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.614 6.656 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.785 11.549 0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.950 7.656 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 71 155.216 10.272 -2.415 1.00 0.00 H new ATOM 1006 N PHE A 72 155.956 6.600 5.898 1.00 0.00 N ATOM 1007 CA PHE A 72 155.548 6.144 7.222 1.00 0.00 C ATOM 1008 C PHE A 72 156.530 5.113 7.768 1.00 0.00 C ATOM 1009 O PHE A 72 157.388 4.612 7.042 1.00 0.00 O ATOM 1010 CB PHE A 72 154.141 5.546 7.167 1.00 0.00 C ATOM 1011 CG PHE A 72 153.971 4.509 6.093 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.819 4.884 4.768 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.963 3.161 6.410 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.663 3.932 3.779 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.806 2.204 5.425 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.657 2.590 4.107 1.00 0.00 C ATOM 0 H PHE A 72 156.217 5.852 5.256 1.00 0.00 H new ATOM 0 HA PHE A 72 155.543 7.005 7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.907 5.099 8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.420 6.348 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.822 5.932 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.081 2.854 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.546 4.237 2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.800 1.156 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.536 1.845 3.335 1.00 0.00 H new ATOM 1026 N THR A 73 156.397 4.800 9.053 1.00 0.00 N ATOM 1027 CA THR A 73 157.272 3.828 9.698 1.00 0.00 C ATOM 1028 C THR A 73 156.519 2.538 10.005 1.00 0.00 C ATOM 1029 O THR A 73 155.738 2.473 10.954 1.00 0.00 O ATOM 1030 CB THR A 73 157.854 4.411 10.986 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.089 5.800 10.847 1.00 0.00 O ATOM 1032 CG2 THR A 73 159.160 3.764 11.400 1.00 0.00 C ATOM 0 H THR A 73 155.692 5.206 9.668 1.00 0.00 H new ATOM 0 HA THR A 73 158.086 3.597 9.011 1.00 0.00 H new ATOM 0 HB THR A 73 157.108 4.212 11.755 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.460 6.154 11.682 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.518 4.224 12.321 1.00 0.00 H new ATOM 0 HG22 THR A 73 159.002 2.698 11.565 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.901 3.904 10.613 1.00 0.00 H new ATOM 1040 N CYS A 74 156.759 1.511 9.195 1.00 0.00 N ATOM 1041 CA CYS A 74 156.104 0.222 9.380 1.00 0.00 C ATOM 1042 C CYS A 74 157.120 -0.916 9.346 1.00 0.00 C ATOM 1043 O CYS A 74 158.299 -0.699 9.070 1.00 0.00 O ATOM 1044 CB CYS A 74 155.043 0.005 8.299 1.00 0.00 C ATOM 1045 SG CYS A 74 153.400 0.615 8.745 1.00 0.00 S ATOM 0 H CYS A 74 157.402 1.547 8.404 1.00 0.00 H new ATOM 0 HA CYS A 74 155.622 0.226 10.358 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.366 0.500 7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.976 -1.061 8.079 1.00 0.00 H new ATOM 0 HG CYS A 74 152.505 0.038 7.999 1.00 0.00 H new ATOM 1051 N ALA A 75 156.654 -2.127 9.629 1.00 0.00 N ATOM 1052 CA ALA A 75 157.521 -3.299 9.631 1.00 0.00 C ATOM 1053 C ALA A 75 158.160 -3.510 8.263 1.00 0.00 C ATOM 1054 O ALA A 75 157.646 -3.043 7.247 1.00 0.00 O ATOM 1055 CB ALA A 75 156.737 -4.534 10.046 1.00 0.00 C ATOM 0 H ALA A 75 155.680 -2.323 9.860 1.00 0.00 H new ATOM 0 HA ALA A 75 158.319 -3.130 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.397 -5.402 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.333 -4.389 11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.919 -4.698 9.345 1.00 0.00 H new ATOM 1061 N LEU A 76 159.285 -4.219 8.243 1.00 0.00 N ATOM 1062 CA LEU A 76 159.994 -4.493 6.999 1.00 0.00 C ATOM 1063 C LEU A 76 159.283 -5.576 6.194 1.00 0.00 C ATOM 1064 O LEU A 76 158.703 -6.503 6.759 1.00 0.00 O ATOM 1065 CB LEU A 76 161.433 -4.921 7.291 1.00 0.00 C ATOM 1066 CG LEU A 76 162.351 -3.804 7.794 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.435 -3.826 9.312 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.736 -3.934 7.179 1.00 0.00 C ATOM 0 H LEU A 76 159.724 -4.614 9.075 1.00 0.00 H new ATOM 0 HA LEU A 76 160.007 -3.577 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.415 -5.718 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.862 -5.342 6.382 1.00 0.00 H new ATOM 0 HG LEU A 76 161.929 -2.847 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.092 -3.025 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.440 -3.683 9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 76 162.833 -4.786 9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.375 -3.132 7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 76 164.167 -4.897 7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 76 163.660 -3.867 6.094 1.00 0.00 H new ATOM 1080 N LYS A 77 159.332 -5.452 4.872 1.00 0.00 N ATOM 1081 CA LYS A 77 158.692 -6.421 3.989 1.00 0.00 C ATOM 1082 C LYS A 77 157.190 -6.481 4.245 1.00 0.00 C ATOM 1083 O LYS A 77 156.565 -7.528 4.083 1.00 0.00 O ATOM 1084 CB LYS A 77 159.310 -7.807 4.186 1.00 0.00 C ATOM 1085 CG LYS A 77 160.806 -7.849 3.921 1.00 0.00 C ATOM 1086 CD LYS A 77 161.117 -7.641 2.448 1.00 0.00 C ATOM 1087 CE LYS A 77 162.396 -6.843 2.255 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.575 -7.532 2.849 1.00 0.00 N ATOM 0 H LYS A 77 159.808 -4.691 4.388 1.00 0.00 H new ATOM 0 HA LYS A 77 158.855 -6.101 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.121 -8.138 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.812 -8.515 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.303 -7.079 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.207 -8.809 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.213 -8.609 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.287 -7.121 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.567 -6.683 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.283 -5.859 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.435 -6.981 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.446 -7.617 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.669 -8.480 2.433 1.00 0.00 H new ATOM 1102 N LYS A 78 156.617 -5.350 4.644 1.00 0.00 N ATOM 1103 CA LYS A 78 155.188 -5.274 4.922 1.00 0.00 C ATOM 1104 C LYS A 78 154.619 -3.926 4.490 1.00 0.00 C ATOM 1105 O LYS A 78 153.788 -3.339 5.184 1.00 0.00 O ATOM 1106 CB LYS A 78 154.924 -5.500 6.412 1.00 0.00 C ATOM 1107 CG LYS A 78 155.426 -6.841 6.922 1.00 0.00 C ATOM 1108 CD LYS A 78 155.126 -7.022 8.401 1.00 0.00 C ATOM 1109 CE LYS A 78 153.865 -7.842 8.618 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.075 -7.350 9.780 1.00 0.00 N ATOM 0 H LYS A 78 157.121 -4.474 4.782 1.00 0.00 H new ATOM 0 HA LYS A 78 154.690 -6.057 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.400 -4.702 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.852 -5.428 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.959 -7.646 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.501 -6.916 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.969 -7.514 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.012 -6.046 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.249 -7.806 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.134 -8.886 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.223 -7.936 9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.653 -7.408 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.796 -6.362 9.617 1.00 0.00 H new ATOM 1124 N ALA A 79 155.073 -3.438 3.340 1.00 0.00 N ATOM 1125 CA ALA A 79 154.611 -2.159 2.815 1.00 0.00 C ATOM 1126 C ALA A 79 154.473 -2.206 1.297 1.00 0.00 C ATOM 1127 O ALA A 79 155.469 -2.255 0.575 1.00 0.00 O ATOM 1128 CB ALA A 79 155.562 -1.046 3.227 1.00 0.00 C ATOM 0 H ALA A 79 155.761 -3.910 2.754 1.00 0.00 H new ATOM 0 HA ALA A 79 153.627 -1.955 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.205 -0.096 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.606 -0.989 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.557 -1.254 2.834 1.00 0.00 H new ATOM 1134 N LEU A 80 153.233 -2.190 0.821 1.00 0.00 N ATOM 1135 CA LEU A 80 152.964 -2.230 -0.613 1.00 0.00 C ATOM 1136 C LEU A 80 152.171 -1.005 -1.052 1.00 0.00 C ATOM 1137 O LEU A 80 151.011 -0.836 -0.677 1.00 0.00 O ATOM 1138 CB LEU A 80 152.198 -3.505 -0.972 1.00 0.00 C ATOM 1139 CG LEU A 80 151.803 -3.630 -2.444 1.00 0.00 C ATOM 1140 CD1 LEU A 80 152.954 -4.198 -3.260 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.564 -4.499 -2.591 1.00 0.00 C ATOM 0 H LEU A 80 152.398 -2.150 1.406 1.00 0.00 H new ATOM 0 HA LEU A 80 153.919 -2.228 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.809 -4.366 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.295 -3.551 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 80 151.572 -2.635 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.654 -4.280 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.817 -3.537 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.217 -5.185 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.297 -4.577 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 80 150.768 -5.493 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.738 -4.050 -2.040 1.00 0.00 H new ATOM 1153 N PHE A 81 152.805 -0.150 -1.849 1.00 0.00 N ATOM 1154 CA PHE A 81 152.158 1.061 -2.340 1.00 0.00 C ATOM 1155 C PHE A 81 151.313 0.763 -3.574 1.00 0.00 C ATOM 1156 O PHE A 81 151.726 0.010 -4.455 1.00 0.00 O ATOM 1157 CB PHE A 81 153.206 2.125 -2.670 1.00 0.00 C ATOM 1158 CG PHE A 81 153.920 2.660 -1.461 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.977 1.960 -0.900 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.537 3.860 -0.888 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.636 2.449 0.211 1.00 0.00 C ATOM 1162 CE2 PHE A 81 154.192 4.354 0.224 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.243 3.648 0.774 1.00 0.00 C ATOM 0 H PHE A 81 153.766 -0.274 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 81 151.502 1.438 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.939 1.701 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.722 2.951 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.288 1.022 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.716 4.417 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.458 1.895 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.882 5.291 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.757 4.032 1.643 1.00 0.00 H new ATOM 1173 N VAL A 82 150.126 1.359 -3.631 1.00 0.00 N ATOM 1174 CA VAL A 82 149.223 1.158 -4.757 1.00 0.00 C ATOM 1175 C VAL A 82 148.323 2.371 -4.966 1.00 0.00 C ATOM 1176 O VAL A 82 148.239 3.249 -4.107 1.00 0.00 O ATOM 1177 CB VAL A 82 148.343 -0.089 -4.555 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.177 -1.357 -4.665 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.629 -0.028 -3.213 1.00 0.00 C ATOM 0 H VAL A 82 149.768 1.985 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 82 149.847 1.016 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 82 147.589 -0.108 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.537 -2.227 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.637 -1.406 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.956 -1.348 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.012 -0.918 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.365 0.018 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.997 0.860 -3.177 1.00 0.00 H new ATOM 1189 N LYS A 83 147.653 2.413 -6.112 1.00 0.00 N ATOM 1190 CA LYS A 83 146.759 3.518 -6.435 1.00 0.00 C ATOM 1191 C LYS A 83 145.547 3.527 -5.510 1.00 0.00 C ATOM 1192 O LYS A 83 144.812 2.544 -5.422 1.00 0.00 O ATOM 1193 CB LYS A 83 146.301 3.423 -7.892 1.00 0.00 C ATOM 1194 CG LYS A 83 147.421 3.629 -8.897 1.00 0.00 C ATOM 1195 CD LYS A 83 147.023 3.147 -10.283 1.00 0.00 C ATOM 1196 CE LYS A 83 147.507 4.099 -11.366 1.00 0.00 C ATOM 1197 NZ LYS A 83 147.866 3.380 -12.619 1.00 0.00 N ATOM 0 H LYS A 83 147.712 1.694 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 83 147.309 4.449 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.850 2.445 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.524 4.167 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.683 4.686 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.311 3.093 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.439 2.155 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.939 3.052 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.729 4.832 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.374 4.651 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.191 4.065 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.626 2.698 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.032 2.874 -12.980 1.00 0.00 H new ATOM 1211 N LEU A 84 145.347 4.646 -4.823 1.00 0.00 N ATOM 1212 CA LEU A 84 144.226 4.791 -3.902 1.00 0.00 C ATOM 1213 C LEU A 84 142.898 4.603 -4.630 1.00 0.00 C ATOM 1214 O LEU A 84 141.947 4.052 -4.074 1.00 0.00 O ATOM 1215 CB LEU A 84 144.268 6.169 -3.238 1.00 0.00 C ATOM 1216 CG LEU A 84 143.081 6.486 -2.326 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.224 5.767 -0.994 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.961 7.988 -2.113 1.00 0.00 C ATOM 0 H LEU A 84 145.948 5.468 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 84 144.310 4.021 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.185 6.246 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.321 6.929 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 84 142.170 6.133 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.371 6.005 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.262 4.691 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.142 6.089 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 84 142.112 8.196 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.874 8.364 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.811 8.481 -3.074 1.00 0.00 H new ATOM 1230 N LYS A 85 142.840 5.064 -5.874 1.00 0.00 N ATOM 1231 CA LYS A 85 141.630 4.946 -6.678 1.00 0.00 C ATOM 1232 C LYS A 85 141.289 3.482 -6.943 1.00 0.00 C ATOM 1233 O LYS A 85 140.129 3.137 -7.171 1.00 0.00 O ATOM 1234 CB LYS A 85 141.799 5.690 -8.004 1.00 0.00 C ATOM 1235 CG LYS A 85 143.086 5.346 -8.735 1.00 0.00 C ATOM 1236 CD LYS A 85 143.011 5.729 -10.204 1.00 0.00 C ATOM 1237 CE LYS A 85 142.658 4.534 -11.076 1.00 0.00 C ATOM 1238 NZ LYS A 85 143.845 4.006 -11.803 1.00 0.00 N ATOM 0 H LYS A 85 143.618 5.523 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 85 140.809 5.395 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.952 5.461 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.774 6.763 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.922 5.864 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.282 4.277 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.265 6.512 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 85 143.968 6.143 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 85 142.232 3.745 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 85 141.891 4.823 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 143.610 3.885 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.635 4.676 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.120 3.088 -11.399 1.00 0.00 H new ATOM 1252 N SER A 86 142.305 2.625 -6.914 1.00 0.00 N ATOM 1253 CA SER A 86 142.110 1.200 -7.152 1.00 0.00 C ATOM 1254 C SER A 86 142.025 0.432 -5.835 1.00 0.00 C ATOM 1255 O SER A 86 142.396 -0.739 -5.764 1.00 0.00 O ATOM 1256 CB SER A 86 143.248 0.644 -8.007 1.00 0.00 C ATOM 1257 OG SER A 86 143.129 1.068 -9.354 1.00 0.00 O ATOM 0 H SER A 86 143.271 2.893 -6.728 1.00 0.00 H new ATOM 0 HA SER A 86 141.168 1.073 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.205 0.973 -7.602 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.241 -0.445 -7.963 1.00 0.00 H new ATOM 0 HG SER A 86 143.870 0.700 -9.879 1.00 0.00 H new ATOM 1263 N CYS A 87 141.536 1.101 -4.796 1.00 0.00 N ATOM 1264 CA CYS A 87 141.402 0.481 -3.483 1.00 0.00 C ATOM 1265 C CYS A 87 139.936 0.392 -3.070 1.00 0.00 C ATOM 1266 O CYS A 87 139.121 1.231 -3.453 1.00 0.00 O ATOM 1267 CB CYS A 87 142.190 1.273 -2.438 1.00 0.00 C ATOM 1268 SG CYS A 87 143.964 1.374 -2.773 1.00 0.00 S ATOM 0 H CYS A 87 141.226 2.072 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 87 141.806 -0.529 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.784 2.283 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 87 142.041 0.813 -1.461 1.00 0.00 H new ATOM 0 HG CYS A 87 144.159 2.010 -3.890 1.00 0.00 H new ATOM 1274 N ARG A 88 139.607 -0.632 -2.286 1.00 0.00 N ATOM 1275 CA ARG A 88 138.238 -0.829 -1.823 1.00 0.00 C ATOM 1276 C ARG A 88 138.194 -0.971 -0.302 1.00 0.00 C ATOM 1277 O ARG A 88 139.090 -1.563 0.299 1.00 0.00 O ATOM 1278 CB ARG A 88 137.630 -2.070 -2.481 1.00 0.00 C ATOM 1279 CG ARG A 88 136.804 -1.758 -3.719 1.00 0.00 C ATOM 1280 CD ARG A 88 135.321 -1.676 -3.394 1.00 0.00 C ATOM 1281 NE ARG A 88 134.498 -2.278 -4.440 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.378 -3.590 -4.626 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.026 -4.441 -3.839 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.607 -4.054 -5.601 1.00 0.00 N ATOM 0 H ARG A 88 140.269 -1.336 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 88 137.654 0.047 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.432 -2.757 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.001 -2.585 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.136 -0.813 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 88 136.970 -2.528 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.129 -2.180 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.035 -0.632 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 88 133.985 -1.656 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 88 135.619 -4.090 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 88 134.930 -5.446 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.106 -3.405 -6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.515 -5.060 -5.744 1.00 0.00 H new ATOM 1298 N PRO A 89 137.145 -0.428 0.343 1.00 0.00 N ATOM 1299 CA PRO A 89 136.992 -0.500 1.800 1.00 0.00 C ATOM 1300 C PRO A 89 137.064 -1.933 2.319 1.00 0.00 C ATOM 1301 O PRO A 89 136.429 -2.834 1.772 1.00 0.00 O ATOM 1302 CB PRO A 89 135.600 0.087 2.047 1.00 0.00 C ATOM 1303 CG PRO A 89 135.338 0.956 0.866 1.00 0.00 C ATOM 1304 CD PRO A 89 136.029 0.296 -0.293 1.00 0.00 C ATOM 0 HA PRO A 89 137.789 0.033 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.849 -0.698 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.571 0.660 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.268 1.050 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.723 1.963 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.362 -0.382 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.386 1.028 -1.018 1.00 0.00 H new ATOM 1312 N ASP A 90 137.840 -2.134 3.379 1.00 0.00 N ATOM 1313 CA ASP A 90 137.993 -3.457 3.973 1.00 0.00 C ATOM 1314 C ASP A 90 137.169 -3.577 5.252 1.00 0.00 C ATOM 1315 O ASP A 90 137.450 -2.910 6.248 1.00 0.00 O ATOM 1316 CB ASP A 90 139.466 -3.738 4.273 1.00 0.00 C ATOM 1317 CG ASP A 90 139.802 -5.214 4.188 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.035 -5.962 3.546 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.832 -5.623 4.765 1.00 0.00 O ATOM 0 H ASP A 90 138.372 -1.398 3.844 1.00 0.00 H new ATOM 0 HA ASP A 90 137.629 -4.194 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.089 -3.185 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.707 -3.370 5.270 1.00 0.00 H new ATOM 1324 N SER A 91 136.152 -4.431 5.217 1.00 0.00 N ATOM 1325 CA SER A 91 135.287 -4.638 6.373 1.00 0.00 C ATOM 1326 C SER A 91 135.697 -5.889 7.143 1.00 0.00 C ATOM 1327 O SER A 91 134.862 -6.551 7.760 1.00 0.00 O ATOM 1328 CB SER A 91 133.828 -4.756 5.929 1.00 0.00 C ATOM 1329 OG SER A 91 132.948 -4.280 6.933 1.00 0.00 O ATOM 0 H SER A 91 135.906 -4.991 4.401 1.00 0.00 H new ATOM 0 HA SER A 91 135.392 -3.776 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.677 -4.189 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.597 -5.797 5.702 1.00 0.00 H new ATOM 0 HG SER A 91 132.950 -3.300 6.932 1.00 0.00 H new ATOM 1335 N ARG A 92 136.986 -6.208 7.102 1.00 0.00 N ATOM 1336 CA ARG A 92 137.506 -7.381 7.796 1.00 0.00 C ATOM 1337 C ARG A 92 137.392 -7.216 9.308 1.00 0.00 C ATOM 1338 O ARG A 92 137.237 -8.194 10.039 1.00 0.00 O ATOM 1339 CB ARG A 92 138.965 -7.625 7.407 1.00 0.00 C ATOM 1340 CG ARG A 92 139.127 -8.507 6.179 1.00 0.00 C ATOM 1341 CD ARG A 92 139.297 -9.967 6.561 1.00 0.00 C ATOM 1342 NE ARG A 92 138.019 -10.606 6.867 1.00 0.00 N ATOM 1343 CZ ARG A 92 137.901 -11.865 7.283 1.00 0.00 C ATOM 1344 NH1 ARG A 92 138.978 -12.623 7.443 1.00 0.00 N ATOM 1345 NH2 ARG A 92 136.700 -12.367 7.540 1.00 0.00 N ATOM 0 H ARG A 92 137.690 -5.671 6.596 1.00 0.00 H new ATOM 0 HA ARG A 92 136.908 -8.242 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.448 -6.666 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.484 -8.087 8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.255 -8.398 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.992 -8.177 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 92 139.783 -10.501 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.955 -10.041 7.426 1.00 0.00 H new ATOM 0 HE ARG A 92 137.168 -10.055 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 92 139.904 -12.242 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 92 138.880 -13.587 7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 92 135.869 -11.788 7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 92 136.608 -13.332 7.859 1.00 0.00 H new ATOM 1359 N PHE A 93 137.469 -5.972 9.771 1.00 0.00 N ATOM 1360 CA PHE A 93 137.374 -5.680 11.197 1.00 0.00 C ATOM 1361 C PHE A 93 136.233 -4.710 11.482 1.00 0.00 C ATOM 1362 O PHE A 93 136.297 -3.923 12.426 1.00 0.00 O ATOM 1363 CB PHE A 93 138.694 -5.097 11.708 1.00 0.00 C ATOM 1364 CG PHE A 93 139.869 -6.012 11.515 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.315 -6.330 10.242 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.529 -6.553 12.607 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.396 -7.172 10.062 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.611 -7.395 12.432 1.00 0.00 C ATOM 1369 CZ PHE A 93 142.044 -7.705 11.158 1.00 0.00 C ATOM 0 H PHE A 93 137.597 -5.151 9.180 1.00 0.00 H new ATOM 0 HA PHE A 93 137.169 -6.614 11.720 1.00 0.00 H new ATOM 0 HB2 PHE A 93 138.889 -4.156 11.194 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.594 -4.867 12.769 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.812 -5.915 9.381 1.00 0.00 H new ATOM 0 HD2 PHE A 93 140.194 -6.314 13.606 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.733 -7.413 9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 93 142.117 -7.810 13.291 1.00 0.00 H new ATOM 0 HZ PHE A 93 142.889 -8.364 11.019 1.00 0.00 H new ATOM 1379 N ALA A 94 135.189 -4.773 10.663 1.00 0.00 N ATOM 1380 CA ALA A 94 134.033 -3.900 10.832 1.00 0.00 C ATOM 1381 C ALA A 94 133.305 -4.199 12.137 1.00 0.00 C ATOM 1382 O ALA A 94 133.012 -5.354 12.445 1.00 0.00 O ATOM 1383 CB ALA A 94 133.085 -4.045 9.650 1.00 0.00 C ATOM 0 H ALA A 94 135.119 -5.419 9.876 1.00 0.00 H new ATOM 0 HA ALA A 94 134.389 -2.871 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.227 -3.388 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 94 133.605 -3.773 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.744 -5.078 9.582 1.00 0.00 H new ATOM 1389 N SER A 95 133.013 -3.150 12.901 1.00 0.00 N ATOM 1390 CA SER A 95 132.317 -3.302 14.173 1.00 0.00 C ATOM 1391 C SER A 95 130.916 -3.866 13.962 1.00 0.00 C ATOM 1392 O SER A 95 130.374 -3.811 12.859 1.00 0.00 O ATOM 1393 CB SER A 95 132.236 -1.957 14.897 1.00 0.00 C ATOM 1394 OG SER A 95 132.416 -2.118 16.294 1.00 0.00 O ATOM 0 H SER A 95 133.248 -2.187 12.661 1.00 0.00 H new ATOM 0 HA SER A 95 132.882 -4.003 14.787 1.00 0.00 H new ATOM 0 HB2 SER A 95 132.997 -1.283 14.504 1.00 0.00 H new ATOM 0 HB3 SER A 95 131.269 -1.494 14.703 1.00 0.00 H new ATOM 0 HG SER A 95 133.009 -1.414 16.631 1.00 0.00 H new ATOM 1400 N LEU A 96 130.335 -4.410 15.026 1.00 0.00 N ATOM 1401 CA LEU A 96 128.997 -4.986 14.956 1.00 0.00 C ATOM 1402 C LEU A 96 128.036 -4.263 15.895 1.00 0.00 C ATOM 1403 O LEU A 96 126.868 -4.055 15.564 1.00 0.00 O ATOM 1404 CB LEU A 96 129.042 -6.476 15.303 1.00 0.00 C ATOM 1405 CG LEU A 96 128.119 -7.363 14.466 1.00 0.00 C ATOM 1406 CD1 LEU A 96 128.828 -7.831 13.204 1.00 0.00 C ATOM 1407 CD2 LEU A 96 127.642 -8.555 15.284 1.00 0.00 C ATOM 0 H LEU A 96 130.770 -4.464 15.947 1.00 0.00 H new ATOM 0 HA LEU A 96 128.634 -4.866 13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 96 130.066 -6.830 15.185 1.00 0.00 H new ATOM 0 HB3 LEU A 96 128.782 -6.597 16.355 1.00 0.00 H new ATOM 0 HG LEU A 96 127.249 -6.775 14.173 1.00 0.00 H new ATOM 0 HD11 LEU A 96 128.156 -8.461 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 96 129.121 -6.966 12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 96 129.716 -8.402 13.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 126.986 -9.176 14.674 1.00 0.00 H new ATOM 0 HD22 LEU A 96 128.502 -9.143 15.606 1.00 0.00 H new ATOM 0 HD23 LEU A 96 127.096 -8.201 16.159 1.00 0.00 H new ATOM 1419 N GLN A 97 128.533 -3.884 17.066 1.00 0.00 N ATOM 1420 CA GLN A 97 127.716 -3.187 18.053 1.00 0.00 C ATOM 1421 C GLN A 97 127.507 -1.726 17.658 1.00 0.00 C ATOM 1422 O GLN A 97 126.376 -1.290 17.445 1.00 0.00 O ATOM 1423 CB GLN A 97 128.369 -3.269 19.436 1.00 0.00 C ATOM 1424 CG GLN A 97 127.712 -4.284 20.358 1.00 0.00 C ATOM 1425 CD GLN A 97 128.057 -5.715 19.990 1.00 0.00 C ATOM 1426 OE1 GLN A 97 129.195 -6.154 20.161 1.00 0.00 O ATOM 1427 NE2 GLN A 97 127.075 -6.449 19.483 1.00 0.00 N ATOM 0 H GLN A 97 129.497 -4.047 17.356 1.00 0.00 H new ATOM 0 HA GLN A 97 126.742 -3.674 18.090 1.00 0.00 H new ATOM 0 HB2 GLN A 97 129.422 -3.526 19.317 1.00 0.00 H new ATOM 0 HB3 GLN A 97 128.332 -2.286 19.905 1.00 0.00 H new ATOM 0 HG2 GLN A 97 128.023 -4.092 21.385 1.00 0.00 H new ATOM 0 HG3 GLN A 97 126.630 -4.154 20.323 1.00 0.00 H new ATOM 0 HE21 GLN A 97 126.147 -6.044 19.359 1.00 0.00 H new ATOM 0 HE22 GLN A 97 127.248 -7.419 19.217 1.00 0.00 H new ATOM 1436 N PRO A 98 128.598 -0.947 17.556 1.00 0.00 N ATOM 1437 CA PRO A 98 128.523 0.469 17.186 1.00 0.00 C ATOM 1438 C PRO A 98 128.237 0.667 15.701 1.00 0.00 C ATOM 1439 O PRO A 98 128.153 -0.297 14.942 1.00 0.00 O ATOM 1440 CB PRO A 98 129.913 0.996 17.538 1.00 0.00 C ATOM 1441 CG PRO A 98 130.809 -0.185 17.397 1.00 0.00 C ATOM 1442 CD PRO A 98 129.988 -1.383 17.795 1.00 0.00 C ATOM 0 HA PRO A 98 127.712 0.984 17.701 1.00 0.00 H new ATOM 0 HB2 PRO A 98 130.212 1.803 16.869 1.00 0.00 H new ATOM 0 HB3 PRO A 98 129.940 1.396 18.552 1.00 0.00 H new ATOM 0 HG2 PRO A 98 131.168 -0.282 16.372 1.00 0.00 H new ATOM 0 HG3 PRO A 98 131.688 -0.086 18.034 1.00 0.00 H new ATOM 0 HD2 PRO A 98 130.242 -2.259 17.198 1.00 0.00 H new ATOM 0 HD3 PRO A 98 130.150 -1.651 18.839 1.00 0.00 H new ATOM 1450 N SER A 99 128.090 1.923 15.295 1.00 0.00 N ATOM 1451 CA SER A 99 127.813 2.249 13.901 1.00 0.00 C ATOM 1452 C SER A 99 126.511 1.603 13.438 1.00 0.00 C ATOM 1453 O SER A 99 125.885 0.845 14.180 1.00 0.00 O ATOM 1454 CB SER A 99 128.968 1.789 13.009 1.00 0.00 C ATOM 1455 OG SER A 99 129.924 2.821 12.839 1.00 0.00 O ATOM 0 H SER A 99 128.158 2.733 15.912 1.00 0.00 H new ATOM 0 HA SER A 99 127.709 3.331 13.822 1.00 0.00 H new ATOM 0 HB2 SER A 99 129.447 0.915 13.451 1.00 0.00 H new ATOM 0 HB3 SER A 99 128.581 1.484 12.037 1.00 0.00 H new ATOM 0 HG SER A 99 130.652 2.501 12.267 1.00 0.00 H new ATOM 1461 N GLY A 100 126.108 1.908 12.209 1.00 0.00 N ATOM 1462 CA GLY A 100 124.883 1.349 11.670 1.00 0.00 C ATOM 1463 C GLY A 100 124.519 1.941 10.322 1.00 0.00 C ATOM 1464 O GLY A 100 123.482 2.592 10.188 1.00 0.00 O ATOM 0 H GLY A 100 126.608 2.533 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 100 124.993 0.269 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 100 124.068 1.524 12.372 1.00 0.00 H new ATOM 1468 N PRO A 101 125.359 1.731 9.293 1.00 0.00 N ATOM 1469 CA PRO A 101 125.107 2.256 7.947 1.00 0.00 C ATOM 1470 C PRO A 101 123.718 1.890 7.433 1.00 0.00 C ATOM 1471 O PRO A 101 122.980 2.747 6.947 1.00 0.00 O ATOM 1472 CB PRO A 101 126.186 1.585 7.096 1.00 0.00 C ATOM 1473 CG PRO A 101 127.285 1.275 8.051 1.00 0.00 C ATOM 1474 CD PRO A 101 126.618 0.967 9.363 1.00 0.00 C ATOM 0 HA PRO A 101 125.142 3.345 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 101 125.808 0.680 6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 101 126.529 2.245 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 101 127.875 0.427 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 101 127.967 2.120 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 101 126.434 -0.101 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 101 127.231 1.279 10.209 1.00 0.00 H new ATOM 1482 N SER A 102 123.369 0.613 7.545 1.00 0.00 N ATOM 1483 CA SER A 102 122.069 0.133 7.093 1.00 0.00 C ATOM 1484 C SER A 102 121.100 -0.001 8.263 1.00 0.00 C ATOM 1485 O SER A 102 121.516 -0.103 9.417 1.00 0.00 O ATOM 1486 CB SER A 102 122.218 -1.213 6.382 1.00 0.00 C ATOM 1487 OG SER A 102 123.120 -1.118 5.293 1.00 0.00 O ATOM 0 H SER A 102 123.969 -0.108 7.945 1.00 0.00 H new ATOM 0 HA SER A 102 121.664 0.863 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 102 122.573 -1.963 7.088 1.00 0.00 H new ATOM 0 HB3 SER A 102 121.245 -1.548 6.024 1.00 0.00 H new ATOM 0 HG SER A 102 123.199 -1.992 4.856 1.00 0.00 H new ATOM 1493 N SER A 103 119.807 -0.001 7.957 1.00 0.00 N ATOM 1494 CA SER A 103 118.779 -0.124 8.984 1.00 0.00 C ATOM 1495 C SER A 103 117.615 -0.978 8.491 1.00 0.00 C ATOM 1496 O SER A 103 117.578 -1.380 7.327 1.00 0.00 O ATOM 1497 CB SER A 103 118.273 1.260 9.396 1.00 0.00 C ATOM 1498 OG SER A 103 119.008 1.766 10.496 1.00 0.00 O ATOM 0 H SER A 103 119.446 0.083 7.007 1.00 0.00 H new ATOM 0 HA SER A 103 119.223 -0.614 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 103 118.355 1.946 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 103 117.216 1.201 9.657 1.00 0.00 H new ATOM 0 HG SER A 103 118.666 2.652 10.738 1.00 0.00 H new ATOM 1504 N GLY A 104 116.668 -1.250 9.382 1.00 0.00 N ATOM 1505 CA GLY A 104 115.517 -2.054 9.017 1.00 0.00 C ATOM 1506 C GLY A 104 115.849 -3.530 8.912 1.00 0.00 C ATOM 1507 O GLY A 104 116.578 -3.908 7.971 1.00 0.00 O ATOM 1508 OXT GLY A 104 115.381 -4.306 9.770 1.00 0.00 O ATOM 0 H GLY A 104 116.677 -0.928 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 104 114.730 -1.914 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 104 115.122 -1.705 8.063 1.00 0.00 H new TER 1512 GLY A 104