USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=29 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 :FLIP amide:sc= -1.16 F(o=-6.4!,f=-2.2) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.08 K(o=-2.2,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0259 (180deg=0) USER MOD Single : A 2 SER OG : rot 130:sc= -1.27 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -33:sc= 1.12 USER MOD Single : A 10 MET CE :methyl -171:sc= 0 (180deg=-0.0166) USER MOD Single : A 14 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.0676 F(o=-1.1,f=-0.068) USER MOD Single : A 22 SER OG : rot 180:sc= 0 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 95:sc= 0.0666 USER MOD Single : A 62 THR OG1 : rot -169:sc= 0.00191 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 84:sc= 0.013 USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 118:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.03) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= -0.0207 (180deg=-0.367) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 71:sc= 0.0519 USER MOD Single : A 91 SER OG : rot 180:sc= -1.92 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -1.28 F(o=-2.7,f=-1.3) 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 1 114.465 13.647 -4.280 1.00 0.00 N ATOM 2 CA GLY A 1 115.658 12.860 -4.696 1.00 0.00 C ATOM 3 C GLY A 1 116.783 12.931 -3.682 1.00 0.00 C ATOM 4 O GLY A 1 116.542 13.135 -2.492 1.00 0.00 O ATOM 0 H1 GLY A 1 113.605 13.086 -4.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 114.539 13.882 -3.270 1.00 0.00 H new ATOM 0 H3 GLY A 1 114.416 14.524 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 115.370 11.819 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 1 116.016 13.229 -5.657 1.00 0.00 H new ATOM 10 N SER A 2 118.014 12.764 -4.154 1.00 0.00 N ATOM 11 CA SER A 2 119.180 12.812 -3.281 1.00 0.00 C ATOM 12 C SER A 2 119.109 11.718 -2.218 1.00 0.00 C ATOM 13 O SER A 2 118.033 11.209 -1.910 1.00 0.00 O ATOM 14 CB SER A 2 119.288 14.183 -2.611 1.00 0.00 C ATOM 15 OG SER A 2 120.412 14.244 -1.750 1.00 0.00 O ATOM 0 H SER A 2 118.229 12.594 -5.136 1.00 0.00 H new ATOM 0 HA SER A 2 120.067 12.644 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 119.368 14.958 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 118.380 14.386 -2.043 1.00 0.00 H new ATOM 0 HG SER A 2 120.934 15.049 -1.950 1.00 0.00 H new ATOM 21 N SER A 3 120.263 11.363 -1.664 1.00 0.00 N ATOM 22 CA SER A 3 120.332 10.331 -0.637 1.00 0.00 C ATOM 23 C SER A 3 119.649 10.793 0.646 1.00 0.00 C ATOM 24 O SER A 3 119.225 11.943 0.756 1.00 0.00 O ATOM 25 CB SER A 3 121.790 9.965 -0.348 1.00 0.00 C ATOM 26 OG SER A 3 122.435 9.482 -1.514 1.00 0.00 O ATOM 0 H SER A 3 121.163 11.775 -1.909 1.00 0.00 H new ATOM 0 HA SER A 3 119.810 9.449 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 122.320 10.840 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 121.830 9.207 0.434 1.00 0.00 H new ATOM 0 HG SER A 3 123.365 9.257 -1.304 1.00 0.00 H new ATOM 32 N GLY A 4 119.545 9.888 1.614 1.00 0.00 N ATOM 33 CA GLY A 4 118.912 10.221 2.876 1.00 0.00 C ATOM 34 C GLY A 4 119.917 10.581 3.953 1.00 0.00 C ATOM 35 O GLY A 4 119.656 10.397 5.141 1.00 0.00 O ATOM 0 H GLY A 4 119.888 8.930 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 118.229 11.057 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 4 118.312 9.375 3.212 1.00 0.00 H new ATOM 39 N SER A 5 121.069 11.095 3.536 1.00 0.00 N ATOM 40 CA SER A 5 122.118 11.481 4.474 1.00 0.00 C ATOM 41 C SER A 5 122.635 12.882 4.162 1.00 0.00 C ATOM 42 O SER A 5 123.763 13.050 3.698 1.00 0.00 O ATOM 43 CB SER A 5 123.269 10.475 4.427 1.00 0.00 C ATOM 44 OG SER A 5 124.148 10.652 5.523 1.00 0.00 O ATOM 0 H SER A 5 121.300 11.254 2.555 1.00 0.00 H new ATOM 0 HA SER A 5 121.692 11.486 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 5 122.870 9.461 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 5 123.819 10.591 3.493 1.00 0.00 H new ATOM 0 HG SER A 5 124.874 9.996 5.470 1.00 0.00 H new ATOM 50 N SER A 6 121.802 13.885 4.419 1.00 0.00 N ATOM 51 CA SER A 6 122.174 15.272 4.165 1.00 0.00 C ATOM 52 C SER A 6 122.528 15.487 2.696 1.00 0.00 C ATOM 53 O SER A 6 123.240 16.430 2.350 1.00 0.00 O ATOM 54 CB SER A 6 123.357 15.675 5.048 1.00 0.00 C ATOM 55 OG SER A 6 123.715 17.028 4.837 1.00 0.00 O ATOM 0 H SER A 6 120.865 13.763 4.803 1.00 0.00 H new ATOM 0 HA SER A 6 121.315 15.898 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 123.100 15.523 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 124.211 15.032 4.833 1.00 0.00 H new ATOM 0 HG SER A 6 123.551 17.267 3.901 1.00 0.00 H new ATOM 61 N GLY A 7 122.025 14.607 1.832 1.00 0.00 N ATOM 62 CA GLY A 7 122.298 14.722 0.411 1.00 0.00 C ATOM 63 C GLY A 7 123.782 14.785 0.103 1.00 0.00 C ATOM 64 O GLY A 7 124.188 15.347 -0.914 1.00 0.00 O ATOM 0 H GLY A 7 121.434 13.817 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 7 121.859 13.871 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 7 121.812 15.617 0.023 1.00 0.00 H new ATOM 68 N LEU A 8 124.593 14.208 0.985 1.00 0.00 N ATOM 69 CA LEU A 8 126.040 14.204 0.802 1.00 0.00 C ATOM 70 C LEU A 8 126.654 12.914 1.338 1.00 0.00 C ATOM 71 O LEU A 8 126.101 12.277 2.233 1.00 0.00 O ATOM 72 CB LEU A 8 126.668 15.410 1.502 1.00 0.00 C ATOM 73 CG LEU A 8 126.465 16.749 0.792 1.00 0.00 C ATOM 74 CD1 LEU A 8 126.371 17.881 1.803 1.00 0.00 C ATOM 75 CD2 LEU A 8 127.595 17.004 -0.194 1.00 0.00 C ATOM 0 H LEU A 8 124.273 13.738 1.832 1.00 0.00 H new ATOM 0 HA LEU A 8 126.245 14.266 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 8 126.254 15.483 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 8 127.738 15.232 1.610 1.00 0.00 H new ATOM 0 HG LEU A 8 125.527 16.707 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 126.227 18.826 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 8 125.528 17.704 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 8 127.291 17.926 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 127.435 17.961 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 128.545 17.026 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 8 127.615 16.208 -0.938 1.00 0.00 H new ATOM 87 N ALA A 9 127.801 12.537 0.783 1.00 0.00 N ATOM 88 CA ALA A 9 128.491 11.324 1.204 1.00 0.00 C ATOM 89 C ALA A 9 129.942 11.326 0.735 1.00 0.00 C ATOM 90 O ALA A 9 130.521 10.272 0.470 1.00 0.00 O ATOM 91 CB ALA A 9 127.766 10.095 0.677 1.00 0.00 C ATOM 0 H ALA A 9 128.272 13.054 0.041 1.00 0.00 H new ATOM 0 HA ALA A 9 128.489 11.295 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 9 128.292 9.196 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 9 126.748 10.078 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 9 127.738 10.128 -0.412 1.00 0.00 H new ATOM 97 N MET A 10 130.524 12.517 0.633 1.00 0.00 N ATOM 98 CA MET A 10 131.908 12.656 0.195 1.00 0.00 C ATOM 99 C MET A 10 132.400 14.089 0.386 1.00 0.00 C ATOM 100 O MET A 10 132.681 14.794 -0.583 1.00 0.00 O ATOM 101 CB MET A 10 132.042 12.247 -1.274 1.00 0.00 C ATOM 102 CG MET A 10 131.090 12.986 -2.200 1.00 0.00 C ATOM 103 SD MET A 10 129.481 12.181 -2.329 1.00 0.00 S ATOM 104 CE MET A 10 128.429 13.582 -2.694 1.00 0.00 C ATOM 0 H MET A 10 130.059 13.399 0.848 1.00 0.00 H new ATOM 0 HA MET A 10 132.525 11.997 0.806 1.00 0.00 H new ATOM 0 HB2 MET A 10 133.066 12.427 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 10 131.863 11.175 -1.362 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.954 14.005 -1.837 1.00 0.00 H new ATOM 0 HG3 MET A 10 131.537 13.058 -3.192 1.00 0.00 H new ATOM 0 HE1 MET A 10 127.384 13.275 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 10 128.610 14.372 -1.965 1.00 0.00 H new ATOM 0 HE3 MET A 10 128.651 13.953 -3.694 1.00 0.00 H new ATOM 114 N PRO A 11 132.508 14.542 1.648 1.00 0.00 N ATOM 115 CA PRO A 11 132.967 15.899 1.963 1.00 0.00 C ATOM 116 C PRO A 11 134.349 16.201 1.385 1.00 0.00 C ATOM 117 O PRO A 11 134.556 17.252 0.777 1.00 0.00 O ATOM 118 CB PRO A 11 133.008 15.926 3.495 1.00 0.00 C ATOM 119 CG PRO A 11 132.100 14.826 3.926 1.00 0.00 C ATOM 120 CD PRO A 11 132.192 13.770 2.862 1.00 0.00 C ATOM 0 HA PRO A 11 132.310 16.654 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 11 134.021 15.769 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 11 132.673 16.888 3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 11 132.401 14.430 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 11 131.076 15.185 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 11 132.968 13.038 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 11 131.256 13.221 2.758 1.00 0.00 H new ATOM 128 N PRO A 12 135.322 15.287 1.564 1.00 0.00 N ATOM 129 CA PRO A 12 136.681 15.479 1.054 1.00 0.00 C ATOM 130 C PRO A 12 136.793 15.157 -0.433 1.00 0.00 C ATOM 131 O PRO A 12 137.545 15.802 -1.162 1.00 0.00 O ATOM 132 CB PRO A 12 137.499 14.491 1.880 1.00 0.00 C ATOM 133 CG PRO A 12 136.553 13.379 2.178 1.00 0.00 C ATOM 134 CD PRO A 12 135.182 13.999 2.276 1.00 0.00 C ATOM 0 HA PRO A 12 137.014 16.513 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 138.368 14.135 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 12 137.871 14.952 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 12 136.582 12.624 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 12 136.821 12.881 3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 12 134.424 13.367 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 12 134.884 14.147 3.314 1.00 0.00 H new ATOM 142 N GLY A 13 136.040 14.155 -0.875 1.00 0.00 N ATOM 143 CA GLY A 13 136.070 13.766 -2.274 1.00 0.00 C ATOM 144 C GLY A 13 136.942 12.551 -2.519 1.00 0.00 C ATOM 145 O GLY A 13 137.708 12.513 -3.482 1.00 0.00 O ATOM 0 H GLY A 13 135.410 13.606 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 13 135.055 13.555 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 13 136.438 14.600 -2.872 1.00 0.00 H new ATOM 149 N ASN A 14 136.825 11.556 -1.647 1.00 0.00 N ATOM 150 CA ASN A 14 137.610 10.332 -1.773 1.00 0.00 C ATOM 151 C ASN A 14 136.722 9.154 -2.163 1.00 0.00 C ATOM 152 O ASN A 14 135.495 9.265 -2.170 1.00 0.00 O ATOM 153 CB ASN A 14 138.334 10.028 -0.461 1.00 0.00 C ATOM 154 CG ASN A 14 139.513 10.951 -0.224 1.00 0.00 C ATOM 155 OD1 ASN A 14 139.973 11.636 -1.137 1.00 0.00 O ATOM 156 ND2 ASN A 14 140.010 10.973 1.008 1.00 0.00 N ATOM 0 H ASN A 14 136.195 11.572 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 14 138.349 10.483 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 14 137.632 10.120 0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 14 138.681 8.995 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.804 11.575 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 14 139.597 10.388 1.735 1.00 0.00 H new ATOM 163 N SER A 15 137.349 8.029 -2.486 1.00 0.00 N ATOM 164 CA SER A 15 136.615 6.831 -2.877 1.00 0.00 C ATOM 165 C SER A 15 135.895 6.219 -1.680 1.00 0.00 C ATOM 166 O SER A 15 136.454 5.388 -0.966 1.00 0.00 O ATOM 167 CB SER A 15 137.567 5.803 -3.493 1.00 0.00 C ATOM 168 OG SER A 15 137.683 5.990 -4.893 1.00 0.00 O ATOM 0 H SER A 15 138.363 7.921 -2.485 1.00 0.00 H new ATOM 0 HA SER A 15 135.870 7.118 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 15 138.550 5.889 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 15 137.204 4.796 -3.286 1.00 0.00 H new ATOM 0 HG SER A 15 138.298 5.322 -5.262 1.00 0.00 H new ATOM 174 N HIS A 16 134.650 6.639 -1.469 1.00 0.00 N ATOM 175 CA HIS A 16 133.844 6.136 -0.358 1.00 0.00 C ATOM 176 C HIS A 16 134.419 6.586 0.982 1.00 0.00 C ATOM 177 O HIS A 16 133.836 7.427 1.667 1.00 0.00 O ATOM 178 CB HIS A 16 133.757 4.609 -0.406 1.00 0.00 C ATOM 179 CG HIS A 16 133.274 4.077 -1.718 1.00 0.00 C ATOM 180 ND1 HIS A 16 133.814 4.149 -2.958 1.00 0.00 N flip ATOM 181 CD2 HIS A 16 132.095 3.374 -1.857 1.00 0.00 C flip ATOM 182 CE1 HIS A 16 132.962 3.494 -3.813 1.00 0.00 C flip ATOM 183 NE2 HIS A 16 131.933 3.035 -3.125 1.00 0.00 N flip ATOM 0 H HIS A 16 134.176 7.328 -2.054 1.00 0.00 H new ATOM 0 HA HIS A 16 132.840 6.549 -0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 16 134.741 4.191 -0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.088 4.267 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.411 3.137 -1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 16 133.110 3.374 -4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 16 131.147 2.509 -3.506 1.00 0.00 H new ATOM 192 N GLY A 17 135.564 6.022 1.351 1.00 0.00 N ATOM 193 CA GLY A 17 136.196 6.379 2.607 1.00 0.00 C ATOM 194 C GLY A 17 137.537 5.697 2.796 1.00 0.00 C ATOM 195 O GLY A 17 137.723 4.930 3.741 1.00 0.00 O ATOM 0 H GLY A 17 136.066 5.324 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.333 7.460 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.536 6.110 3.432 1.00 0.00 H new ATOM 199 N LEU A 18 138.473 5.976 1.895 1.00 0.00 N ATOM 200 CA LEU A 18 139.804 5.384 1.966 1.00 0.00 C ATOM 201 C LEU A 18 140.828 6.406 2.448 1.00 0.00 C ATOM 202 O LEU A 18 141.251 7.280 1.691 1.00 0.00 O ATOM 203 CB LEU A 18 140.215 4.837 0.598 1.00 0.00 C ATOM 204 CG LEU A 18 139.384 3.655 0.096 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.678 3.382 -1.370 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.658 2.418 0.937 1.00 0.00 C ATOM 0 H LEU A 18 138.334 6.608 1.107 1.00 0.00 H new ATOM 0 HA LEU A 18 139.772 4.563 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.150 5.643 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 18 141.261 4.532 0.645 1.00 0.00 H new ATOM 0 HG LEU A 18 138.328 3.909 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 18 139.078 2.538 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.431 4.264 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.736 3.148 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 139.059 1.586 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.715 2.161 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.397 2.619 1.976 1.00 0.00 H new ATOM 218 N GLU A 19 141.224 6.289 3.711 1.00 0.00 N ATOM 219 CA GLU A 19 142.200 7.202 4.294 1.00 0.00 C ATOM 220 C GLU A 19 143.132 6.464 5.249 1.00 0.00 C ATOM 221 O GLU A 19 142.949 5.275 5.516 1.00 0.00 O ATOM 222 CB GLU A 19 141.489 8.339 5.032 1.00 0.00 C ATOM 223 CG GLU A 19 140.515 7.858 6.094 1.00 0.00 C ATOM 224 CD GLU A 19 140.123 8.956 7.064 1.00 0.00 C ATOM 225 OE1 GLU A 19 139.243 9.770 6.714 1.00 0.00 O ATOM 226 OE2 GLU A 19 140.696 9.002 8.173 1.00 0.00 O ATOM 0 H GLU A 19 140.884 5.571 4.350 1.00 0.00 H new ATOM 0 HA GLU A 19 142.797 7.622 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.236 8.981 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.951 8.951 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.619 7.468 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.964 7.033 6.647 1.00 0.00 H new ATOM 233 N VAL A 20 144.131 7.174 5.761 1.00 0.00 N ATOM 234 CA VAL A 20 145.091 6.585 6.688 1.00 0.00 C ATOM 235 C VAL A 20 144.396 6.059 7.939 1.00 0.00 C ATOM 236 O VAL A 20 143.606 6.765 8.566 1.00 0.00 O ATOM 237 CB VAL A 20 146.169 7.603 7.102 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.263 6.925 7.911 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.753 8.291 5.876 1.00 0.00 C ATOM 0 H VAL A 20 144.297 8.158 5.550 1.00 0.00 H new ATOM 0 HA VAL A 20 145.567 5.756 6.165 1.00 0.00 H new ATOM 0 HB VAL A 20 145.702 8.362 7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 20 148.015 7.661 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.831 6.484 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.728 6.143 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.513 9.007 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.204 7.546 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.961 8.814 5.340 1.00 0.00 H new ATOM 249 N GLY A 21 144.697 4.815 8.297 1.00 0.00 N ATOM 250 CA GLY A 21 144.093 4.215 9.472 1.00 0.00 C ATOM 251 C GLY A 21 143.030 3.192 9.121 1.00 0.00 C ATOM 252 O GLY A 21 142.786 2.255 9.881 1.00 0.00 O ATOM 0 H GLY A 21 145.348 4.212 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.868 3.737 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.650 4.997 10.088 1.00 0.00 H new ATOM 256 N SER A 22 142.395 3.373 7.967 1.00 0.00 N ATOM 257 CA SER A 22 141.352 2.458 7.518 1.00 0.00 C ATOM 258 C SER A 22 141.942 1.331 6.678 1.00 0.00 C ATOM 259 O SER A 22 143.029 1.465 6.115 1.00 0.00 O ATOM 260 CB SER A 22 140.297 3.214 6.710 1.00 0.00 C ATOM 261 OG SER A 22 139.734 4.272 7.466 1.00 0.00 O ATOM 0 H SER A 22 142.584 4.144 7.327 1.00 0.00 H new ATOM 0 HA SER A 22 140.881 2.021 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.748 3.613 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.510 2.526 6.400 1.00 0.00 H new ATOM 0 HG SER A 22 139.064 4.740 6.925 1.00 0.00 H new ATOM 267 N LEU A 23 141.218 0.219 6.597 1.00 0.00 N ATOM 268 CA LEU A 23 141.669 -0.934 5.826 1.00 0.00 C ATOM 269 C LEU A 23 141.184 -0.848 4.382 1.00 0.00 C ATOM 270 O LEU A 23 140.137 -0.263 4.103 1.00 0.00 O ATOM 271 CB LEU A 23 141.171 -2.230 6.468 1.00 0.00 C ATOM 272 CG LEU A 23 141.497 -2.384 7.954 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.442 -3.232 8.646 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.878 -2.995 8.135 1.00 0.00 C ATOM 0 H LEU A 23 140.316 0.092 7.056 1.00 0.00 H new ATOM 0 HA LEU A 23 142.759 -0.934 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.090 -2.288 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.601 -3.074 5.928 1.00 0.00 H new ATOM 0 HG LEU A 23 141.496 -1.395 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.690 -3.331 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.468 -2.754 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.411 -4.220 8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.094 -3.098 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.906 -3.977 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.625 -2.349 7.674 1.00 0.00 H new ATOM 286 N ALA A 24 141.952 -1.432 3.469 1.00 0.00 N ATOM 287 CA ALA A 24 141.601 -1.421 2.054 1.00 0.00 C ATOM 288 C ALA A 24 142.116 -2.673 1.351 1.00 0.00 C ATOM 289 O ALA A 24 142.944 -3.405 1.892 1.00 0.00 O ATOM 290 CB ALA A 24 142.151 -0.172 1.384 1.00 0.00 C ATOM 0 H ALA A 24 142.822 -1.919 3.684 1.00 0.00 H new ATOM 0 HA ALA A 24 140.514 -1.413 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.881 -0.177 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.730 0.713 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.237 -0.155 1.481 1.00 0.00 H new ATOM 296 N GLU A 25 141.621 -2.911 0.140 1.00 0.00 N ATOM 297 CA GLU A 25 142.032 -4.073 -0.638 1.00 0.00 C ATOM 298 C GLU A 25 142.413 -3.670 -2.059 1.00 0.00 C ATOM 299 O GLU A 25 141.857 -2.724 -2.616 1.00 0.00 O ATOM 300 CB GLU A 25 140.909 -5.112 -0.675 1.00 0.00 C ATOM 301 CG GLU A 25 141.354 -6.471 -1.189 1.00 0.00 C ATOM 302 CD GLU A 25 140.264 -7.186 -1.963 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.193 -7.448 -1.377 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.483 -7.486 -3.156 1.00 0.00 O ATOM 0 H GLU A 25 140.935 -2.314 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 25 142.907 -4.510 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.500 -5.229 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.102 -4.740 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.227 -6.345 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.663 -7.091 -0.347 1.00 0.00 H new ATOM 311 N VAL A 26 143.365 -4.393 -2.639 1.00 0.00 N ATOM 312 CA VAL A 26 143.818 -4.111 -3.996 1.00 0.00 C ATOM 313 C VAL A 26 143.404 -5.220 -4.956 1.00 0.00 C ATOM 314 O VAL A 26 143.286 -6.381 -4.564 1.00 0.00 O ATOM 315 CB VAL A 26 145.348 -3.944 -4.054 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.781 -3.452 -5.427 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.824 -2.994 -2.964 1.00 0.00 C ATOM 0 H VAL A 26 143.838 -5.178 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 26 143.345 -3.177 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 26 145.807 -4.917 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.865 -3.340 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.476 -4.173 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.313 -2.489 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.907 -2.889 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.357 -2.019 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.549 -3.393 -1.988 1.00 0.00 H new ATOM 327 N LYS A 27 143.181 -4.855 -6.214 1.00 0.00 N ATOM 328 CA LYS A 27 142.779 -5.820 -7.230 1.00 0.00 C ATOM 329 C LYS A 27 143.997 -6.413 -7.931 1.00 0.00 C ATOM 330 O LYS A 27 144.477 -5.869 -8.926 1.00 0.00 O ATOM 331 CB LYS A 27 141.857 -5.158 -8.255 1.00 0.00 C ATOM 332 CG LYS A 27 141.362 -6.110 -9.332 1.00 0.00 C ATOM 333 CD LYS A 27 140.993 -5.366 -10.605 1.00 0.00 C ATOM 334 CE LYS A 27 139.489 -5.171 -10.721 1.00 0.00 C ATOM 335 NZ LYS A 27 138.857 -6.224 -11.562 1.00 0.00 N ATOM 0 H LYS A 27 143.272 -3.898 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 27 142.240 -6.628 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.998 -4.731 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.387 -4.331 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 27 142.135 -6.847 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.494 -6.657 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 27 141.489 -4.395 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 141.357 -5.920 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.043 -5.184 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 27 139.282 -4.191 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.832 -6.056 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 139.264 -6.195 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 139.033 -7.158 -11.139 1.00 0.00 H new ATOM 349 N GLU A 28 144.491 -7.528 -7.406 1.00 0.00 N ATOM 350 CA GLU A 28 145.652 -8.196 -7.982 1.00 0.00 C ATOM 351 C GLU A 28 145.452 -9.707 -8.012 1.00 0.00 C ATOM 352 O GLU A 28 144.372 -10.206 -7.696 1.00 0.00 O ATOM 353 CB GLU A 28 146.913 -7.849 -7.187 1.00 0.00 C ATOM 354 CG GLU A 28 148.072 -7.381 -8.054 1.00 0.00 C ATOM 355 CD GLU A 28 149.197 -8.396 -8.122 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.946 -8.520 -7.131 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.328 -9.067 -9.168 1.00 0.00 O ATOM 0 H GLU A 28 144.105 -7.989 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 28 145.771 -7.845 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.673 -7.069 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.226 -8.725 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 28 147.709 -7.179 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.459 -6.441 -7.660 1.00 0.00 H new ATOM 364 N ASN A 29 146.499 -10.431 -8.393 1.00 0.00 N ATOM 365 CA ASN A 29 146.438 -11.886 -8.463 1.00 0.00 C ATOM 366 C ASN A 29 146.389 -12.496 -7.064 1.00 0.00 C ATOM 367 O ASN A 29 145.446 -13.209 -6.723 1.00 0.00 O ATOM 368 CB ASN A 29 147.643 -12.432 -9.232 1.00 0.00 C ATOM 369 CG ASN A 29 147.314 -12.736 -10.680 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.172 -13.897 -11.066 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.191 -11.693 -11.491 1.00 0.00 N ATOM 0 H ASN A 29 147.400 -10.034 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 29 145.526 -12.163 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.456 -11.707 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.001 -13.339 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.970 -11.836 -12.476 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.317 -10.748 -11.129 1.00 0.00 H new ATOM 378 N PRO A 30 147.409 -12.221 -6.232 1.00 0.00 N ATOM 379 CA PRO A 30 147.478 -12.745 -4.866 1.00 0.00 C ATOM 380 C PRO A 30 146.589 -11.964 -3.899 1.00 0.00 C ATOM 381 O PRO A 30 146.864 -10.804 -3.593 1.00 0.00 O ATOM 382 CB PRO A 30 148.950 -12.559 -4.504 1.00 0.00 C ATOM 383 CG PRO A 30 149.375 -11.360 -5.279 1.00 0.00 C ATOM 384 CD PRO A 30 148.576 -11.377 -6.557 1.00 0.00 C ATOM 0 HA PRO A 30 147.129 -13.776 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.079 -12.406 -3.433 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.539 -13.436 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.187 -10.446 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.444 -11.391 -5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.273 -10.373 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.152 -11.793 -7.384 1.00 0.00 H new ATOM 392 N PRO A 31 145.506 -12.589 -3.400 1.00 0.00 N ATOM 393 CA PRO A 31 144.582 -11.938 -2.465 1.00 0.00 C ATOM 394 C PRO A 31 145.273 -11.512 -1.174 1.00 0.00 C ATOM 395 O PRO A 31 145.292 -12.256 -0.194 1.00 0.00 O ATOM 396 CB PRO A 31 143.530 -13.017 -2.176 1.00 0.00 C ATOM 397 CG PRO A 31 143.649 -13.986 -3.302 1.00 0.00 C ATOM 398 CD PRO A 31 145.095 -13.970 -3.704 1.00 0.00 C ATOM 0 HA PRO A 31 144.163 -11.023 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.715 -13.502 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.529 -12.589 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 31 143.340 -14.985 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.008 -13.698 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 31 145.679 -14.698 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.223 -14.206 -4.760 1.00 0.00 H new ATOM 406 N PHE A 32 145.839 -10.310 -1.180 1.00 0.00 N ATOM 407 CA PHE A 32 146.531 -9.786 -0.008 1.00 0.00 C ATOM 408 C PHE A 32 145.739 -8.650 0.630 1.00 0.00 C ATOM 409 O PHE A 32 145.153 -7.821 -0.066 1.00 0.00 O ATOM 410 CB PHE A 32 147.929 -9.295 -0.391 1.00 0.00 C ATOM 411 CG PHE A 32 147.920 -8.172 -1.387 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.563 -6.890 -1.002 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.269 -8.398 -2.709 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.554 -5.853 -1.915 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.262 -7.364 -3.628 1.00 0.00 C ATOM 416 CZ PHE A 32 147.904 -6.091 -3.231 1.00 0.00 C ATOM 0 H PHE A 32 145.832 -9.681 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 32 146.623 -10.594 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.449 -8.967 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.498 -10.129 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.288 -6.699 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 32 148.549 -9.392 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.274 -4.858 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.536 -7.552 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.897 -5.283 -3.947 1.00 0.00 H new ATOM 426 N TYR A 33 145.726 -8.618 1.958 1.00 0.00 N ATOM 427 CA TYR A 33 145.008 -7.584 2.692 1.00 0.00 C ATOM 428 C TYR A 33 145.978 -6.652 3.409 1.00 0.00 C ATOM 429 O TYR A 33 147.068 -7.062 3.809 1.00 0.00 O ATOM 430 CB TYR A 33 144.051 -8.218 3.703 1.00 0.00 C ATOM 431 CG TYR A 33 142.678 -8.509 3.140 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.958 -7.528 2.471 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.103 -9.766 3.278 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.703 -7.790 1.956 1.00 0.00 C ATOM 435 CE2 TYR A 33 140.848 -10.037 2.766 1.00 0.00 C ATOM 436 CZ TYR A 33 140.153 -9.046 2.105 1.00 0.00 C ATOM 437 OH TYR A 33 138.903 -9.311 1.594 1.00 0.00 O ATOM 0 H TYR A 33 146.205 -9.298 2.548 1.00 0.00 H new ATOM 0 HA TYR A 33 144.433 -6.998 1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.488 -9.147 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.949 -7.553 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.386 -6.544 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.646 -10.544 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.156 -7.015 1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.414 -11.019 2.883 1.00 0.00 H new ATOM 0 HH TYR A 33 138.663 -10.242 1.783 1.00 0.00 H new ATOM 447 N GLY A 34 145.577 -5.394 3.566 1.00 0.00 N ATOM 448 CA GLY A 34 146.424 -4.424 4.235 1.00 0.00 C ATOM 449 C GLY A 34 145.652 -3.209 4.709 1.00 0.00 C ATOM 450 O GLY A 34 144.432 -3.140 4.555 1.00 0.00 O ATOM 0 H GLY A 34 144.681 -5.030 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.910 -4.898 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.214 -4.106 3.555 1.00 0.00 H new ATOM 454 N VAL A 35 146.364 -2.247 5.288 1.00 0.00 N ATOM 455 CA VAL A 35 145.739 -1.029 5.787 1.00 0.00 C ATOM 456 C VAL A 35 146.436 0.210 5.232 1.00 0.00 C ATOM 457 O VAL A 35 147.649 0.213 5.028 1.00 0.00 O ATOM 458 CB VAL A 35 145.761 -0.977 7.327 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.192 -0.974 7.845 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.000 0.239 7.834 1.00 0.00 C ATOM 0 H VAL A 35 147.374 -2.288 5.423 1.00 0.00 H new ATOM 0 HA VAL A 35 144.703 -1.040 5.449 1.00 0.00 H new ATOM 0 HB VAL A 35 145.265 -1.871 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.185 -0.937 8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.700 -1.881 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.718 -0.102 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.027 0.257 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.462 1.146 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.964 0.186 7.498 1.00 0.00 H new ATOM 470 N ILE A 36 145.659 1.262 4.991 1.00 0.00 N ATOM 471 CA ILE A 36 146.203 2.507 4.461 1.00 0.00 C ATOM 472 C ILE A 36 147.159 3.153 5.458 1.00 0.00 C ATOM 473 O ILE A 36 146.910 3.152 6.663 1.00 0.00 O ATOM 474 CB ILE A 36 145.084 3.507 4.112 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.038 2.845 3.214 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.667 4.740 3.436 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.906 3.770 2.818 1.00 0.00 C ATOM 0 H ILE A 36 144.652 1.277 5.154 1.00 0.00 H new ATOM 0 HA ILE A 36 146.747 2.255 3.551 1.00 0.00 H new ATOM 0 HB ILE A 36 144.596 3.819 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.527 2.476 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.624 1.978 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.864 5.437 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.377 5.222 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.178 4.445 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.203 3.233 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.392 4.120 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.308 4.624 2.274 1.00 0.00 H new ATOM 489 N ARG A 37 148.255 3.705 4.945 1.00 0.00 N ATOM 490 CA ARG A 37 149.250 4.355 5.790 1.00 0.00 C ATOM 491 C ARG A 37 149.509 5.785 5.323 1.00 0.00 C ATOM 492 O ARG A 37 149.278 6.741 6.061 1.00 0.00 O ATOM 493 CB ARG A 37 150.555 3.558 5.781 1.00 0.00 C ATOM 494 CG ARG A 37 150.360 2.068 6.015 1.00 0.00 C ATOM 495 CD ARG A 37 149.771 1.793 7.390 1.00 0.00 C ATOM 496 NE ARG A 37 150.664 2.224 8.463 1.00 0.00 N ATOM 497 CZ ARG A 37 150.430 2.003 9.755 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.334 1.359 10.137 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.293 2.429 10.667 1.00 0.00 N ATOM 0 H ARG A 37 148.476 3.715 3.949 1.00 0.00 H new ATOM 0 HA ARG A 37 148.861 4.389 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.054 3.705 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.218 3.954 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.701 1.661 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.317 1.555 5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.815 2.308 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.570 0.727 7.492 1.00 0.00 H new ATOM 0 HE ARG A 37 151.516 2.723 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.666 1.031 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.160 1.192 11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.136 2.926 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.114 2.260 11.657 1.00 0.00 H new ATOM 513 N TRP A 38 149.992 5.923 4.091 1.00 0.00 N ATOM 514 CA TRP A 38 150.282 7.236 3.528 1.00 0.00 C ATOM 515 C TRP A 38 149.598 7.413 2.174 1.00 0.00 C ATOM 516 O TRP A 38 149.676 6.542 1.309 1.00 0.00 O ATOM 517 CB TRP A 38 151.795 7.432 3.381 1.00 0.00 C ATOM 518 CG TRP A 38 152.166 8.645 2.578 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.399 9.903 3.052 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.339 8.712 1.157 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.706 10.749 2.013 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.675 10.041 0.840 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.241 7.776 0.124 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.916 10.455 -0.468 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.480 8.189 -1.174 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.814 9.518 -1.460 1.00 0.00 C ATOM 0 H TRP A 38 150.190 5.142 3.465 1.00 0.00 H new ATOM 0 HA TRP A 38 149.892 7.990 4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.241 7.512 4.372 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.224 6.548 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.349 10.192 4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.922 11.742 2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.983 6.749 0.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.174 11.480 -0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.408 7.474 -1.980 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.995 9.810 -2.484 1.00 0.00 H new ATOM 537 N ILE A 39 148.938 8.552 2.000 1.00 0.00 N ATOM 538 CA ILE A 39 148.248 8.854 0.752 1.00 0.00 C ATOM 539 C ILE A 39 148.745 10.172 0.170 1.00 0.00 C ATOM 540 O ILE A 39 148.421 11.247 0.676 1.00 0.00 O ATOM 541 CB ILE A 39 146.722 8.938 0.956 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.221 7.736 1.761 1.00 0.00 C ATOM 543 CG2 ILE A 39 146.013 9.017 -0.388 1.00 0.00 C ATOM 544 CD1 ILE A 39 145.393 8.123 2.967 1.00 0.00 C ATOM 0 H ILE A 39 148.866 9.282 2.708 1.00 0.00 H new ATOM 0 HA ILE A 39 148.465 8.041 0.059 1.00 0.00 H new ATOM 0 HB ILE A 39 146.496 9.844 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.625 7.096 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 39 147.077 7.147 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.936 9.076 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.349 9.904 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.245 8.128 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 39 145.071 7.223 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 39 145.993 8.739 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.518 8.686 2.642 1.00 0.00 H new ATOM 556 N GLY A 40 149.540 10.085 -0.892 1.00 0.00 N ATOM 557 CA GLY A 40 150.072 11.282 -1.515 1.00 0.00 C ATOM 558 C GLY A 40 150.651 11.019 -2.891 1.00 0.00 C ATOM 559 O GLY A 40 150.491 9.932 -3.444 1.00 0.00 O ATOM 0 H GLY A 40 149.824 9.209 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.280 12.027 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.846 11.706 -0.875 1.00 0.00 H new ATOM 563 N GLN A 41 151.325 12.023 -3.443 1.00 0.00 N ATOM 564 CA GLN A 41 151.933 11.908 -4.762 1.00 0.00 C ATOM 565 C GLN A 41 153.415 12.277 -4.707 1.00 0.00 C ATOM 566 O GLN A 41 153.765 13.423 -4.426 1.00 0.00 O ATOM 567 CB GLN A 41 151.204 12.816 -5.752 1.00 0.00 C ATOM 568 CG GLN A 41 149.691 12.670 -5.711 1.00 0.00 C ATOM 569 CD GLN A 41 148.975 14.000 -5.846 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.410 14.250 -7.021 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.930 14.793 -4.906 1.00 0.00 N flip ATOM 0 H GLN A 41 151.464 12.928 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 41 151.848 10.873 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.466 13.853 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.555 12.596 -6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.371 12.006 -6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.400 12.198 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 41 149.378 14.560 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 41 148.444 15.684 -5.013 1.00 0.00 H new ATOM 580 N PRO A 42 154.311 11.309 -4.972 1.00 0.00 N ATOM 581 CA PRO A 42 155.758 11.547 -4.946 1.00 0.00 C ATOM 582 C PRO A 42 156.179 12.657 -5.905 1.00 0.00 C ATOM 583 O PRO A 42 155.455 12.987 -6.843 1.00 0.00 O ATOM 584 CB PRO A 42 156.356 10.207 -5.388 1.00 0.00 C ATOM 585 CG PRO A 42 155.296 9.203 -5.095 1.00 0.00 C ATOM 586 CD PRO A 42 153.991 9.911 -5.315 1.00 0.00 C ATOM 0 HA PRO A 42 156.095 11.873 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.609 10.217 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.273 9.984 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.386 8.337 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.375 8.838 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.649 9.816 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.202 9.510 -4.679 1.00 0.00 H new ATOM 594 N PRO A 43 157.363 13.249 -5.679 1.00 0.00 N ATOM 595 CA PRO A 43 157.881 14.326 -6.528 1.00 0.00 C ATOM 596 C PRO A 43 158.324 13.821 -7.895 1.00 0.00 C ATOM 597 O PRO A 43 159.493 13.486 -8.095 1.00 0.00 O ATOM 598 CB PRO A 43 159.080 14.853 -5.743 1.00 0.00 C ATOM 599 CG PRO A 43 159.531 13.697 -4.917 1.00 0.00 C ATOM 600 CD PRO A 43 158.291 12.915 -4.581 1.00 0.00 C ATOM 0 HA PRO A 43 157.123 15.082 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.871 15.195 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.802 15.701 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.244 13.081 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 43 160.034 14.037 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.492 11.845 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.885 13.203 -3.611 1.00 0.00 H new ATOM 608 N GLY A 44 157.387 13.768 -8.834 1.00 0.00 N ATOM 609 CA GLY A 44 157.705 13.303 -10.169 1.00 0.00 C ATOM 610 C GLY A 44 156.484 12.809 -10.918 1.00 0.00 C ATOM 611 O GLY A 44 156.229 13.226 -12.047 1.00 0.00 O ATOM 0 H GLY A 44 156.414 14.039 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 44 158.169 14.113 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.438 12.499 -10.105 1.00 0.00 H new ATOM 615 N LEU A 45 155.725 11.918 -10.287 1.00 0.00 N ATOM 616 CA LEU A 45 154.523 11.370 -10.904 1.00 0.00 C ATOM 617 C LEU A 45 153.295 11.657 -10.050 1.00 0.00 C ATOM 618 O LEU A 45 153.164 11.135 -8.943 1.00 0.00 O ATOM 619 CB LEU A 45 154.673 9.861 -11.111 1.00 0.00 C ATOM 620 CG LEU A 45 155.191 9.090 -9.896 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.827 7.615 -10.002 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.697 9.266 -9.756 1.00 0.00 C ATOM 0 H LEU A 45 155.921 11.561 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 45 154.390 11.851 -11.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.704 9.451 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.351 9.690 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 45 154.715 9.494 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 45 155.204 7.083 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.743 7.510 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 45 155.273 7.194 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 45 157.049 8.711 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 45 157.192 8.890 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.930 10.323 -9.630 1.00 0.00 H new ATOM 634 N ASN A 46 152.396 12.487 -10.566 1.00 0.00 N ATOM 635 CA ASN A 46 151.182 12.831 -9.837 1.00 0.00 C ATOM 636 C ASN A 46 150.210 11.656 -9.839 1.00 0.00 C ATOM 637 O ASN A 46 149.608 11.335 -10.863 1.00 0.00 O ATOM 638 CB ASN A 46 150.518 14.060 -10.460 1.00 0.00 C ATOM 639 CG ASN A 46 149.756 14.885 -9.442 1.00 0.00 C ATOM 640 OD1 ASN A 46 148.535 15.019 -9.523 1.00 0.00 O ATOM 641 ND2 ASN A 46 150.475 15.444 -8.476 1.00 0.00 N ATOM 0 H ASN A 46 152.484 12.931 -11.480 1.00 0.00 H new ATOM 0 HA ASN A 46 151.452 13.061 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.280 14.682 -10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.836 13.741 -11.248 1.00 0.00 H new ATOM 0 HD21 ASN A 46 150.017 16.011 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 46 151.485 15.306 -8.447 1.00 0.00 H new ATOM 648 N GLU A 47 150.065 11.019 -8.683 1.00 0.00 N ATOM 649 CA GLU A 47 149.170 9.877 -8.543 1.00 0.00 C ATOM 650 C GLU A 47 148.942 9.545 -7.073 1.00 0.00 C ATOM 651 O GLU A 47 149.887 9.254 -6.341 1.00 0.00 O ATOM 652 CB GLU A 47 149.741 8.657 -9.270 1.00 0.00 C ATOM 653 CG GLU A 47 151.249 8.512 -9.129 1.00 0.00 C ATOM 654 CD GLU A 47 151.835 7.534 -10.128 1.00 0.00 C ATOM 655 OE1 GLU A 47 152.005 7.916 -11.304 1.00 0.00 O ATOM 656 OE2 GLU A 47 152.125 6.385 -9.733 1.00 0.00 O ATOM 0 H GLU A 47 150.557 11.275 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 47 148.213 10.141 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 47 149.261 7.758 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.489 8.725 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.718 9.487 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.486 8.179 -8.118 1.00 0.00 H new ATOM 663 N VAL A 48 147.686 9.586 -6.647 1.00 0.00 N ATOM 664 CA VAL A 48 147.346 9.281 -5.263 1.00 0.00 C ATOM 665 C VAL A 48 147.678 7.831 -4.933 1.00 0.00 C ATOM 666 O VAL A 48 146.921 6.919 -5.267 1.00 0.00 O ATOM 667 CB VAL A 48 145.854 9.534 -4.978 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.566 9.417 -3.490 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.432 10.897 -5.505 1.00 0.00 C ATOM 0 H VAL A 48 146.889 9.826 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 48 147.940 9.944 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 48 145.271 8.774 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.507 9.599 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.826 8.416 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.159 10.152 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.375 11.057 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 48 146.021 11.674 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.597 10.938 -6.582 1.00 0.00 H new ATOM 679 N LEU A 49 148.816 7.624 -4.281 1.00 0.00 N ATOM 680 CA LEU A 49 149.250 6.283 -3.909 1.00 0.00 C ATOM 681 C LEU A 49 149.076 6.055 -2.413 1.00 0.00 C ATOM 682 O LEU A 49 149.743 6.692 -1.597 1.00 0.00 O ATOM 683 CB LEU A 49 150.712 6.068 -4.304 1.00 0.00 C ATOM 684 CG LEU A 49 150.984 6.063 -5.809 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.453 6.335 -6.087 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.560 4.737 -6.421 1.00 0.00 C ATOM 0 H LEU A 49 149.455 8.368 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 49 148.629 5.564 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.315 6.851 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 151.049 5.119 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 49 150.396 6.858 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.627 6.327 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.726 7.310 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 49 153.061 5.563 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.760 4.750 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.121 3.926 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.494 4.583 -6.253 1.00 0.00 H new ATOM 698 N ALA A 50 148.177 5.145 -2.059 1.00 0.00 N ATOM 699 CA ALA A 50 147.920 4.838 -0.661 1.00 0.00 C ATOM 700 C ALA A 50 148.793 3.683 -0.183 1.00 0.00 C ATOM 701 O ALA A 50 148.658 2.554 -0.654 1.00 0.00 O ATOM 702 CB ALA A 50 146.448 4.511 -0.454 1.00 0.00 C ATOM 0 H ALA A 50 147.616 4.609 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 50 148.172 5.718 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.270 4.283 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.840 5.367 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.178 3.648 -1.063 1.00 0.00 H new ATOM 708 N GLY A 51 149.690 3.974 0.753 1.00 0.00 N ATOM 709 CA GLY A 51 150.574 2.950 1.277 1.00 0.00 C ATOM 710 C GLY A 51 149.829 1.892 2.067 1.00 0.00 C ATOM 711 O GLY A 51 149.265 2.178 3.121 1.00 0.00 O ATOM 0 H GLY A 51 149.820 4.901 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.106 2.476 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.325 3.415 1.916 1.00 0.00 H new ATOM 715 N LEU A 52 149.829 0.665 1.555 1.00 0.00 N ATOM 716 CA LEU A 52 149.149 -0.440 2.220 1.00 0.00 C ATOM 717 C LEU A 52 150.150 -1.351 2.923 1.00 0.00 C ATOM 718 O LEU A 52 151.154 -1.756 2.337 1.00 0.00 O ATOM 719 CB LEU A 52 148.330 -1.244 1.209 1.00 0.00 C ATOM 720 CG LEU A 52 147.084 -0.536 0.673 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.371 -1.410 -0.345 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.148 -0.170 1.815 1.00 0.00 C ATOM 0 H LEU A 52 150.292 0.412 0.682 1.00 0.00 H new ATOM 0 HA LEU A 52 148.478 -0.023 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.973 -1.502 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.024 -2.181 1.675 1.00 0.00 H new ATOM 0 HG LEU A 52 147.395 0.383 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.487 -0.890 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.043 -1.622 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.071 -2.346 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.267 0.333 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.843 -1.075 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.663 0.495 2.508 1.00 0.00 H new ATOM 734 N GLU A 53 149.869 -1.669 4.182 1.00 0.00 N ATOM 735 CA GLU A 53 150.744 -2.533 4.965 1.00 0.00 C ATOM 736 C GLU A 53 150.203 -3.959 5.007 1.00 0.00 C ATOM 737 O GLU A 53 149.225 -4.242 5.699 1.00 0.00 O ATOM 738 CB GLU A 53 150.892 -1.989 6.388 1.00 0.00 C ATOM 739 CG GLU A 53 151.852 -2.792 7.250 1.00 0.00 C ATOM 740 CD GLU A 53 151.466 -2.780 8.716 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.360 -3.260 9.044 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.269 -2.289 9.538 1.00 0.00 O ATOM 0 H GLU A 53 149.042 -1.341 4.682 1.00 0.00 H new ATOM 0 HA GLU A 53 151.723 -2.548 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.238 -0.956 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 53 149.913 -1.975 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 53 151.880 -3.822 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.859 -2.389 7.139 1.00 0.00 H new ATOM 749 N LEU A 54 150.846 -4.852 4.262 1.00 0.00 N ATOM 750 CA LEU A 54 150.430 -6.249 4.214 1.00 0.00 C ATOM 751 C LEU A 54 150.631 -6.923 5.567 1.00 0.00 C ATOM 752 O LEU A 54 151.705 -6.836 6.162 1.00 0.00 O ATOM 753 CB LEU A 54 151.213 -6.998 3.135 1.00 0.00 C ATOM 754 CG LEU A 54 151.220 -6.331 1.759 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.393 -6.831 0.929 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.906 -6.587 1.037 1.00 0.00 C ATOM 0 H LEU A 54 151.657 -4.633 3.683 1.00 0.00 H new ATOM 0 HA LEU A 54 149.368 -6.279 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.244 -7.115 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.795 -8.000 3.034 1.00 0.00 H new ATOM 0 HG LEU A 54 151.332 -5.256 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.382 -6.345 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.327 -6.596 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.312 -7.910 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.928 -6.105 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.764 -7.660 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.083 -6.179 1.624 1.00 0.00 H new ATOM 768 N GLU A 55 149.590 -7.595 6.048 1.00 0.00 N ATOM 769 CA GLU A 55 149.653 -8.284 7.331 1.00 0.00 C ATOM 770 C GLU A 55 150.613 -9.468 7.267 1.00 0.00 C ATOM 771 O GLU A 55 151.246 -9.820 8.263 1.00 0.00 O ATOM 772 CB GLU A 55 148.261 -8.765 7.744 1.00 0.00 C ATOM 773 CG GLU A 55 147.281 -7.634 8.009 1.00 0.00 C ATOM 774 CD GLU A 55 146.305 -7.957 9.124 1.00 0.00 C ATOM 775 OE1 GLU A 55 146.660 -8.765 10.008 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.186 -7.403 9.112 1.00 0.00 O ATOM 0 H GLU A 55 148.693 -7.677 5.569 1.00 0.00 H new ATOM 0 HA GLU A 55 150.023 -7.579 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 55 147.860 -9.406 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.349 -9.377 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.835 -6.731 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.726 -7.418 7.096 1.00 0.00 H new ATOM 783 N ASP A 56 150.717 -10.077 6.091 1.00 0.00 N ATOM 784 CA ASP A 56 151.601 -11.220 5.898 1.00 0.00 C ATOM 785 C ASP A 56 152.965 -10.773 5.385 1.00 0.00 C ATOM 786 O ASP A 56 153.065 -10.126 4.342 1.00 0.00 O ATOM 787 CB ASP A 56 150.975 -12.215 4.918 1.00 0.00 C ATOM 788 CG ASP A 56 150.131 -13.263 5.618 1.00 0.00 C ATOM 789 OD1 ASP A 56 149.275 -12.881 6.443 1.00 0.00 O ATOM 790 OD2 ASP A 56 150.329 -14.464 5.342 1.00 0.00 O ATOM 0 H ASP A 56 150.200 -9.798 5.257 1.00 0.00 H new ATOM 0 HA ASP A 56 151.739 -11.708 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.357 -11.675 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 56 151.765 -12.708 4.351 1.00 0.00 H new ATOM 795 N GLU A 57 154.013 -11.122 6.123 1.00 0.00 N ATOM 796 CA GLU A 57 155.372 -10.756 5.742 1.00 0.00 C ATOM 797 C GLU A 57 155.819 -11.534 4.509 1.00 0.00 C ATOM 798 O GLU A 57 156.361 -12.633 4.617 1.00 0.00 O ATOM 799 CB GLU A 57 156.337 -11.018 6.901 1.00 0.00 C ATOM 800 CG GLU A 57 156.180 -10.041 8.055 1.00 0.00 C ATOM 801 CD GLU A 57 157.188 -10.282 9.162 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.344 -9.829 9.022 1.00 0.00 O ATOM 803 OE2 GLU A 57 156.820 -10.922 10.170 1.00 0.00 O ATOM 0 H GLU A 57 153.947 -11.658 6.988 1.00 0.00 H new ATOM 0 HA GLU A 57 155.382 -9.693 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.182 -12.032 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.360 -10.967 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.291 -9.023 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.172 -10.123 8.462 1.00 0.00 H new ATOM 810 N CYS A 58 155.588 -10.954 3.334 1.00 0.00 N ATOM 811 CA CYS A 58 155.966 -11.592 2.079 1.00 0.00 C ATOM 812 C CYS A 58 157.251 -10.984 1.524 1.00 0.00 C ATOM 813 O CYS A 58 157.464 -9.774 1.610 1.00 0.00 O ATOM 814 CB CYS A 58 154.840 -11.456 1.054 1.00 0.00 C ATOM 815 SG CYS A 58 153.495 -12.644 1.273 1.00 0.00 S ATOM 0 H CYS A 58 155.141 -10.044 3.226 1.00 0.00 H new ATOM 0 HA CYS A 58 156.142 -12.649 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.432 -10.447 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.257 -11.576 0.054 1.00 0.00 H new ATOM 0 HG CYS A 58 152.590 -12.448 0.360 1.00 0.00 H new ATOM 821 N ALA A 59 158.103 -11.830 0.956 1.00 0.00 N ATOM 822 CA ALA A 59 159.367 -11.377 0.388 1.00 0.00 C ATOM 823 C ALA A 59 159.133 -10.493 -0.833 1.00 0.00 C ATOM 824 O ALA A 59 158.338 -10.828 -1.711 1.00 0.00 O ATOM 825 CB ALA A 59 160.237 -12.568 0.019 1.00 0.00 C ATOM 0 H ALA A 59 157.941 -12.834 0.877 1.00 0.00 H new ATOM 0 HA ALA A 59 159.884 -10.783 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.177 -12.215 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.440 -13.160 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 59 159.718 -13.184 -0.715 1.00 0.00 H new ATOM 831 N GLY A 60 159.830 -9.362 -0.881 1.00 0.00 N ATOM 832 CA GLY A 60 159.684 -8.448 -1.998 1.00 0.00 C ATOM 833 C GLY A 60 158.880 -7.214 -1.637 1.00 0.00 C ATOM 834 O GLY A 60 158.226 -6.619 -2.492 1.00 0.00 O ATOM 0 H GLY A 60 160.493 -9.063 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.671 -8.145 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.198 -8.965 -2.825 1.00 0.00 H new ATOM 838 N CYS A 61 158.929 -6.830 -0.365 1.00 0.00 N ATOM 839 CA CYS A 61 158.200 -5.659 0.108 1.00 0.00 C ATOM 840 C CYS A 61 159.087 -4.786 0.991 1.00 0.00 C ATOM 841 O CYS A 61 159.907 -5.293 1.757 1.00 0.00 O ATOM 842 CB CYS A 61 156.954 -6.089 0.884 1.00 0.00 C ATOM 843 SG CYS A 61 155.907 -7.271 0.002 1.00 0.00 S ATOM 0 H CYS A 61 159.466 -7.313 0.356 1.00 0.00 H new ATOM 0 HA CYS A 61 157.896 -5.075 -0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.263 -6.530 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.364 -5.204 1.122 1.00 0.00 H new ATOM 0 HG CYS A 61 156.215 -8.480 0.367 1.00 0.00 H new ATOM 849 N THR A 62 158.917 -3.474 0.877 1.00 0.00 N ATOM 850 CA THR A 62 159.702 -2.530 1.664 1.00 0.00 C ATOM 851 C THR A 62 159.143 -2.404 3.078 1.00 0.00 C ATOM 852 O THR A 62 158.196 -3.099 3.446 1.00 0.00 O ATOM 853 CB THR A 62 159.721 -1.159 0.986 1.00 0.00 C ATOM 854 OG1 THR A 62 158.458 -0.526 1.100 1.00 0.00 O ATOM 855 CG2 THR A 62 160.070 -1.223 -0.485 1.00 0.00 C ATOM 0 H THR A 62 158.243 -3.039 0.247 1.00 0.00 H new ATOM 0 HA THR A 62 160.722 -2.909 1.728 1.00 0.00 H new ATOM 0 HB THR A 62 160.496 -0.592 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.434 0.263 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.066 -0.217 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.060 -1.662 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.336 -1.837 -1.007 1.00 0.00 H new ATOM 863 N ASP A 63 159.735 -1.511 3.865 1.00 0.00 N ATOM 864 CA ASP A 63 159.296 -1.294 5.239 1.00 0.00 C ATOM 865 C ASP A 63 158.638 0.075 5.389 1.00 0.00 C ATOM 866 O ASP A 63 158.710 0.696 6.449 1.00 0.00 O ATOM 867 CB ASP A 63 160.481 -1.410 6.200 1.00 0.00 C ATOM 868 CG ASP A 63 161.653 -0.546 5.781 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.335 -0.906 4.798 1.00 0.00 O ATOM 870 OD2 ASP A 63 161.891 0.491 6.435 1.00 0.00 O ATOM 0 H ASP A 63 160.519 -0.927 3.575 1.00 0.00 H new ATOM 0 HA ASP A 63 158.561 -2.061 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.162 -1.123 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.801 -2.451 6.253 1.00 0.00 H new ATOM 875 N GLY A 64 157.997 0.538 4.320 1.00 0.00 N ATOM 876 CA GLY A 64 157.336 1.829 4.354 1.00 0.00 C ATOM 877 C GLY A 64 158.131 2.907 3.644 1.00 0.00 C ATOM 878 O GLY A 64 158.365 3.981 4.198 1.00 0.00 O ATOM 0 H GLY A 64 157.924 0.042 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.353 1.743 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.175 2.124 5.391 1.00 0.00 H new ATOM 882 N THR A 65 158.548 2.619 2.416 1.00 0.00 N ATOM 883 CA THR A 65 159.322 3.572 1.629 1.00 0.00 C ATOM 884 C THR A 65 158.949 3.489 0.152 1.00 0.00 C ATOM 885 O THR A 65 158.860 2.401 -0.416 1.00 0.00 O ATOM 886 CB THR A 65 160.819 3.313 1.803 1.00 0.00 C ATOM 887 OG1 THR A 65 161.067 1.935 2.023 1.00 0.00 O ATOM 888 CG2 THR A 65 161.430 4.078 2.957 1.00 0.00 C ATOM 0 H THR A 65 158.363 1.734 1.944 1.00 0.00 H new ATOM 0 HA THR A 65 159.089 4.574 1.989 1.00 0.00 H new ATOM 0 HB THR A 65 161.280 3.656 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.030 1.789 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.493 3.848 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.300 5.148 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.938 3.790 3.886 1.00 0.00 H new ATOM 896 N PHE A 66 158.732 4.647 -0.465 1.00 0.00 N ATOM 897 CA PHE A 66 158.369 4.705 -1.876 1.00 0.00 C ATOM 898 C PHE A 66 159.321 5.616 -2.644 1.00 0.00 C ATOM 899 O PHE A 66 159.363 6.824 -2.414 1.00 0.00 O ATOM 900 CB PHE A 66 156.931 5.204 -2.033 1.00 0.00 C ATOM 901 CG PHE A 66 156.344 4.927 -3.388 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.859 3.667 -3.702 1.00 0.00 C ATOM 903 CD2 PHE A 66 156.277 5.925 -4.346 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.318 3.410 -4.948 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.739 5.673 -5.594 1.00 0.00 C ATOM 906 CZ PHE A 66 155.258 4.413 -5.895 1.00 0.00 C ATOM 0 H PHE A 66 158.801 5.557 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 66 158.445 3.699 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.307 4.734 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.905 6.278 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 66 155.904 2.878 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.650 6.912 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 66 154.942 2.425 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.695 6.460 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.836 4.213 -6.869 1.00 0.00 H new ATOM 916 N ARG A 67 160.086 5.027 -3.557 1.00 0.00 N ATOM 917 CA ARG A 67 161.038 5.785 -4.360 1.00 0.00 C ATOM 918 C ARG A 67 162.073 6.468 -3.472 1.00 0.00 C ATOM 919 O ARG A 67 162.508 7.586 -3.755 1.00 0.00 O ATOM 920 CB ARG A 67 160.307 6.828 -5.207 1.00 0.00 C ATOM 921 CG ARG A 67 159.321 6.229 -6.194 1.00 0.00 C ATOM 922 CD ARG A 67 159.188 7.088 -7.441 1.00 0.00 C ATOM 923 NE ARG A 67 159.003 8.500 -7.115 1.00 0.00 N ATOM 924 CZ ARG A 67 159.198 9.493 -7.980 1.00 0.00 C ATOM 925 NH1 ARG A 67 159.585 9.233 -9.223 1.00 0.00 N ATOM 926 NH2 ARG A 67 159.008 10.749 -7.600 1.00 0.00 N ATOM 0 H ARG A 67 160.065 4.027 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 67 161.554 5.089 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.776 7.513 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.042 7.419 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.648 5.228 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.346 6.124 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 67 160.079 6.972 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.342 6.739 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 67 158.707 8.739 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.734 8.269 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 67 159.733 9.998 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 67 158.713 10.954 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 67 159.157 11.510 -8.262 1.00 0.00 H new ATOM 940 N GLY A 68 162.462 5.792 -2.397 1.00 0.00 N ATOM 941 CA GLY A 68 163.442 6.350 -1.484 1.00 0.00 C ATOM 942 C GLY A 68 162.894 7.521 -0.691 1.00 0.00 C ATOM 943 O GLY A 68 163.642 8.412 -0.291 1.00 0.00 O ATOM 0 H GLY A 68 162.116 4.867 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.777 5.574 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.316 6.674 -2.048 1.00 0.00 H new ATOM 947 N THR A 69 161.585 7.516 -0.463 1.00 0.00 N ATOM 948 CA THR A 69 160.934 8.585 0.287 1.00 0.00 C ATOM 949 C THR A 69 160.118 8.020 1.443 1.00 0.00 C ATOM 950 O THR A 69 158.973 7.605 1.263 1.00 0.00 O ATOM 951 CB THR A 69 160.034 9.408 -0.636 1.00 0.00 C ATOM 952 OG1 THR A 69 160.665 9.633 -1.884 1.00 0.00 O ATOM 953 CG2 THR A 69 159.659 10.756 -0.060 1.00 0.00 C ATOM 0 H THR A 69 160.953 6.783 -0.787 1.00 0.00 H new ATOM 0 HA THR A 69 161.709 9.232 0.697 1.00 0.00 H new ATOM 0 HB THR A 69 159.126 8.817 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.511 8.864 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.020 11.288 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.124 10.614 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.562 11.338 0.122 1.00 0.00 H new ATOM 961 N ARG A 70 160.714 8.007 2.631 1.00 0.00 N ATOM 962 CA ARG A 70 160.040 7.492 3.818 1.00 0.00 C ATOM 963 C ARG A 70 158.775 8.291 4.114 1.00 0.00 C ATOM 964 O ARG A 70 158.830 9.502 4.327 1.00 0.00 O ATOM 965 CB ARG A 70 160.980 7.538 5.024 1.00 0.00 C ATOM 966 CG ARG A 70 160.363 6.981 6.296 1.00 0.00 C ATOM 967 CD ARG A 70 160.901 7.687 7.531 1.00 0.00 C ATOM 968 NE ARG A 70 162.324 7.425 7.735 1.00 0.00 N ATOM 969 CZ ARG A 70 163.020 7.882 8.774 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.430 8.624 9.703 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.310 7.596 8.884 1.00 0.00 N ATOM 0 H ARG A 70 161.661 8.347 2.797 1.00 0.00 H new ATOM 0 HA ARG A 70 159.758 6.457 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.884 6.975 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.283 8.570 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.279 7.092 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.572 5.913 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.740 8.761 7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.343 7.359 8.408 1.00 0.00 H new ATOM 0 HE ARG A 70 162.813 6.859 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.438 8.847 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.969 8.971 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.769 7.026 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.844 7.946 9.680 1.00 0.00 H new ATOM 985 N TYR A 71 157.637 7.605 4.126 1.00 0.00 N ATOM 986 CA TYR A 71 156.359 8.251 4.398 1.00 0.00 C ATOM 987 C TYR A 71 155.842 7.876 5.783 1.00 0.00 C ATOM 988 O TYR A 71 155.337 8.725 6.519 1.00 0.00 O ATOM 989 CB TYR A 71 155.330 7.859 3.335 1.00 0.00 C ATOM 990 CG TYR A 71 155.555 8.528 1.998 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.820 9.889 1.917 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.502 7.798 0.817 1.00 0.00 C ATOM 993 CE1 TYR A 71 156.025 10.504 0.696 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.707 8.406 -0.407 1.00 0.00 C ATOM 995 CZ TYR A 71 155.968 9.759 -0.463 1.00 0.00 C ATOM 996 OH TYR A 71 156.173 10.368 -1.679 1.00 0.00 O ATOM 0 H TYR A 71 157.574 6.602 3.951 1.00 0.00 H new ATOM 0 HA TYR A 71 156.513 9.330 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.354 6.778 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.333 8.113 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.867 10.476 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.297 6.738 0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.229 11.564 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.663 7.824 -1.316 1.00 0.00 H new ATOM 0 HH TYR A 71 156.569 9.725 -2.304 1.00 0.00 H new ATOM 1006 N PHE A 72 155.971 6.601 6.133 1.00 0.00 N ATOM 1007 CA PHE A 72 155.517 6.114 7.430 1.00 0.00 C ATOM 1008 C PHE A 72 156.412 4.983 7.931 1.00 0.00 C ATOM 1009 O PHE A 72 157.202 4.421 7.171 1.00 0.00 O ATOM 1010 CB PHE A 72 154.069 5.631 7.339 1.00 0.00 C ATOM 1011 CG PHE A 72 153.849 4.590 6.279 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.576 4.960 4.972 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.914 3.241 6.590 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.373 4.004 3.995 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.712 2.281 5.617 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.440 2.663 4.318 1.00 0.00 C ATOM 0 H PHE A 72 156.387 5.886 5.536 1.00 0.00 H new ATOM 0 HA PHE A 72 155.573 6.940 8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.769 5.224 8.305 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.422 6.485 7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.521 6.007 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.125 2.937 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.162 4.305 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.767 1.233 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.280 1.914 3.556 1.00 0.00 H new ATOM 1026 N THR A 73 156.281 4.657 9.212 1.00 0.00 N ATOM 1027 CA THR A 73 157.077 3.592 9.813 1.00 0.00 C ATOM 1028 C THR A 73 156.235 2.340 10.030 1.00 0.00 C ATOM 1029 O THR A 73 155.254 2.360 10.773 1.00 0.00 O ATOM 1030 CB THR A 73 157.667 4.061 11.145 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.251 2.975 11.843 1.00 0.00 O ATOM 1032 CG2 THR A 73 156.646 4.699 12.060 1.00 0.00 C ATOM 0 H THR A 73 155.633 5.114 9.854 1.00 0.00 H new ATOM 0 HA THR A 73 157.889 3.347 9.128 1.00 0.00 H new ATOM 0 HB THR A 73 158.414 4.811 10.883 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.624 3.294 12.691 1.00 0.00 H new ATOM 0 HG21 THR A 73 157.130 5.009 12.986 1.00 0.00 H new ATOM 0 HG22 THR A 73 156.211 5.570 11.569 1.00 0.00 H new ATOM 0 HG23 THR A 73 155.859 3.979 12.285 1.00 0.00 H new ATOM 1040 N CYS A 74 156.626 1.250 9.377 1.00 0.00 N ATOM 1041 CA CYS A 74 155.907 -0.012 9.498 1.00 0.00 C ATOM 1042 C CYS A 74 156.878 -1.179 9.653 1.00 0.00 C ATOM 1043 O CYS A 74 158.092 -0.983 9.722 1.00 0.00 O ATOM 1044 CB CYS A 74 155.015 -0.236 8.275 1.00 0.00 C ATOM 1045 SG CYS A 74 153.346 0.437 8.448 1.00 0.00 S ATOM 0 H CYS A 74 157.437 1.216 8.759 1.00 0.00 H new ATOM 0 HA CYS A 74 155.282 0.040 10.390 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.490 0.217 7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.946 -1.306 8.080 1.00 0.00 H new ATOM 0 HG CYS A 74 153.150 1.348 7.542 1.00 0.00 H new ATOM 1051 N ALA A 75 156.336 -2.390 9.706 1.00 0.00 N ATOM 1052 CA ALA A 75 157.155 -3.588 9.852 1.00 0.00 C ATOM 1053 C ALA A 75 157.953 -3.865 8.582 1.00 0.00 C ATOM 1054 O ALA A 75 157.700 -3.270 7.536 1.00 0.00 O ATOM 1055 CB ALA A 75 156.282 -4.784 10.200 1.00 0.00 C ATOM 0 H ALA A 75 155.333 -2.569 9.650 1.00 0.00 H new ATOM 0 HA ALA A 75 157.862 -3.419 10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 156.906 -5.671 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 75 155.760 -4.593 11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.553 -4.946 9.406 1.00 0.00 H new ATOM 1061 N LEU A 76 158.917 -4.774 8.683 1.00 0.00 N ATOM 1062 CA LEU A 76 159.752 -5.131 7.542 1.00 0.00 C ATOM 1063 C LEU A 76 159.032 -6.118 6.628 1.00 0.00 C ATOM 1064 O LEU A 76 158.388 -7.056 7.097 1.00 0.00 O ATOM 1065 CB LEU A 76 161.074 -5.735 8.021 1.00 0.00 C ATOM 1066 CG LEU A 76 161.972 -4.781 8.812 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.755 -5.542 9.871 1.00 0.00 C ATOM 1068 CD2 LEU A 76 162.916 -4.041 7.877 1.00 0.00 C ATOM 0 H LEU A 76 159.139 -5.276 9.542 1.00 0.00 H new ATOM 0 HA LEU A 76 159.958 -4.223 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.855 -6.603 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.627 -6.095 7.153 1.00 0.00 H new ATOM 0 HG LEU A 76 161.340 -4.048 9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.388 -4.848 10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.061 -6.027 10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.377 -6.297 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.547 -3.367 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.542 -4.760 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.336 -3.465 7.156 1.00 0.00 H new ATOM 1080 N LYS A 77 159.145 -5.898 5.323 1.00 0.00 N ATOM 1081 CA LYS A 77 158.504 -6.766 4.342 1.00 0.00 C ATOM 1082 C LYS A 77 156.987 -6.744 4.503 1.00 0.00 C ATOM 1083 O LYS A 77 156.324 -7.772 4.375 1.00 0.00 O ATOM 1084 CB LYS A 77 159.023 -8.199 4.483 1.00 0.00 C ATOM 1085 CG LYS A 77 160.538 -8.303 4.461 1.00 0.00 C ATOM 1086 CD LYS A 77 161.091 -8.095 3.059 1.00 0.00 C ATOM 1087 CE LYS A 77 162.387 -7.301 3.083 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.485 -6.363 1.932 1.00 0.00 N ATOM 0 H LYS A 77 159.675 -5.125 4.920 1.00 0.00 H new ATOM 0 HA LYS A 77 158.750 -6.393 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.652 -8.620 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.614 -8.806 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 77 160.965 -7.560 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 160.842 -9.282 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.265 -9.063 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.354 -7.572 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.452 -6.740 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.234 -7.987 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.304 -5.735 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 162.603 -6.904 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 161.617 -5.793 1.874 1.00 0.00 H new ATOM 1102 N LYS A 78 156.445 -5.564 4.785 1.00 0.00 N ATOM 1103 CA LYS A 78 155.007 -5.407 4.964 1.00 0.00 C ATOM 1104 C LYS A 78 154.546 -4.032 4.488 1.00 0.00 C ATOM 1105 O LYS A 78 153.689 -3.405 5.110 1.00 0.00 O ATOM 1106 CB LYS A 78 154.630 -5.604 6.433 1.00 0.00 C ATOM 1107 CG LYS A 78 155.068 -6.946 6.999 1.00 0.00 C ATOM 1108 CD LYS A 78 154.557 -7.146 8.417 1.00 0.00 C ATOM 1109 CE LYS A 78 153.324 -8.035 8.449 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.234 -7.445 9.274 1.00 0.00 N ATOM 0 H LYS A 78 156.980 -4.703 4.894 1.00 0.00 H new ATOM 0 HA LYS A 78 154.506 -6.166 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.078 -4.806 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.549 -5.510 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.699 -7.749 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.156 -7.008 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.343 -7.591 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.320 -6.178 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.964 -8.193 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.592 -9.013 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 151.474 -8.144 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 152.610 -7.176 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 151.855 -6.602 8.797 1.00 0.00 H new ATOM 1124 N ALA A 79 155.121 -3.572 3.382 1.00 0.00 N ATOM 1125 CA ALA A 79 154.769 -2.273 2.822 1.00 0.00 C ATOM 1126 C ALA A 79 154.594 -2.354 1.310 1.00 0.00 C ATOM 1127 O ALA A 79 155.564 -2.522 0.571 1.00 0.00 O ATOM 1128 CB ALA A 79 155.829 -1.241 3.178 1.00 0.00 C ATOM 0 H ALA A 79 155.833 -4.079 2.856 1.00 0.00 H new ATOM 0 HA ALA A 79 153.817 -1.965 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.554 -0.275 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.902 -1.153 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.792 -1.554 2.774 1.00 0.00 H new ATOM 1134 N LEU A 80 153.350 -2.236 0.856 1.00 0.00 N ATOM 1135 CA LEU A 80 153.048 -2.297 -0.569 1.00 0.00 C ATOM 1136 C LEU A 80 152.227 -1.087 -1.004 1.00 0.00 C ATOM 1137 O LEU A 80 151.035 -0.995 -0.709 1.00 0.00 O ATOM 1138 CB LEU A 80 152.292 -3.586 -0.896 1.00 0.00 C ATOM 1139 CG LEU A 80 151.856 -3.730 -2.355 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.048 -4.071 -3.236 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.775 -4.791 -2.485 1.00 0.00 C ATOM 0 H LEU A 80 152.536 -2.098 1.454 1.00 0.00 H new ATOM 0 HA LEU A 80 153.991 -2.288 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.924 -4.435 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.407 -3.641 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 80 151.444 -2.777 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.719 -4.170 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.791 -3.277 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.489 -5.011 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.477 -4.880 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.161 -5.748 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.911 -4.506 -1.884 1.00 0.00 H new ATOM 1153 N PHE A 81 152.873 -0.161 -1.704 1.00 0.00 N ATOM 1154 CA PHE A 81 152.202 1.044 -2.178 1.00 0.00 C ATOM 1155 C PHE A 81 151.397 0.757 -3.441 1.00 0.00 C ATOM 1156 O PHE A 81 151.830 -0.004 -4.307 1.00 0.00 O ATOM 1157 CB PHE A 81 153.225 2.147 -2.452 1.00 0.00 C ATOM 1158 CG PHE A 81 153.798 2.757 -1.203 1.00 0.00 C ATOM 1159 CD1 PHE A 81 153.181 3.843 -0.603 1.00 0.00 C ATOM 1160 CD2 PHE A 81 154.951 2.244 -0.632 1.00 0.00 C ATOM 1161 CE1 PHE A 81 153.705 4.406 0.546 1.00 0.00 C ATOM 1162 CE2 PHE A 81 155.480 2.804 0.515 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.856 3.885 1.105 1.00 0.00 C ATOM 0 H PHE A 81 153.860 -0.221 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 81 151.516 1.378 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.037 1.737 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.753 2.930 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 81 152.282 4.254 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 81 155.442 1.397 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 81 153.215 5.252 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 81 156.381 2.396 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.267 4.323 2.003 1.00 0.00 H new ATOM 1173 N VAL A 82 150.223 1.371 -3.541 1.00 0.00 N ATOM 1174 CA VAL A 82 149.357 1.182 -4.698 1.00 0.00 C ATOM 1175 C VAL A 82 148.503 2.419 -4.955 1.00 0.00 C ATOM 1176 O VAL A 82 148.414 3.310 -4.111 1.00 0.00 O ATOM 1177 CB VAL A 82 148.432 -0.036 -4.516 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.244 -1.323 -4.481 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.598 0.110 -3.253 1.00 0.00 C ATOM 0 H VAL A 82 149.849 2.004 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 82 150.009 1.009 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 82 147.754 -0.084 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.574 -2.173 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.793 -1.433 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 82 149.948 -1.287 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 82 146.951 -0.760 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.257 0.185 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.987 1.010 -3.322 1.00 0.00 H new ATOM 1189 N LYS A 83 147.878 2.467 -6.127 1.00 0.00 N ATOM 1190 CA LYS A 83 147.030 3.595 -6.496 1.00 0.00 C ATOM 1191 C LYS A 83 145.755 3.614 -5.663 1.00 0.00 C ATOM 1192 O LYS A 83 144.987 2.651 -5.660 1.00 0.00 O ATOM 1193 CB LYS A 83 146.683 3.532 -7.985 1.00 0.00 C ATOM 1194 CG LYS A 83 147.897 3.596 -8.895 1.00 0.00 C ATOM 1195 CD LYS A 83 147.601 2.995 -10.260 1.00 0.00 C ATOM 1196 CE LYS A 83 148.279 3.778 -11.373 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.808 2.884 -12.439 1.00 0.00 N ATOM 0 H LYS A 83 147.943 1.738 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 83 147.583 4.513 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.138 2.609 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 83 146.013 4.356 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.211 4.633 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.728 3.062 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.940 1.959 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.524 2.982 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.568 4.480 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 83 149.095 4.368 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.262 3.457 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.506 2.231 -12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 148.026 2.339 -12.855 1.00 0.00 H new ATOM 1211 N LEU A 84 145.535 4.718 -4.959 1.00 0.00 N ATOM 1212 CA LEU A 84 144.352 4.870 -4.120 1.00 0.00 C ATOM 1213 C LEU A 84 143.077 4.738 -4.947 1.00 0.00 C ATOM 1214 O LEU A 84 142.063 4.234 -4.466 1.00 0.00 O ATOM 1215 CB LEU A 84 144.380 6.228 -3.414 1.00 0.00 C ATOM 1216 CG LEU A 84 143.142 6.549 -2.574 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.231 5.874 -1.214 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.985 8.054 -2.414 1.00 0.00 C ATOM 0 H LEU A 84 146.162 5.523 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 84 144.359 4.077 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.258 6.266 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.502 7.008 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 84 142.264 6.163 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.342 6.113 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.298 4.794 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 84 144.117 6.230 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 84 142.100 8.266 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.866 8.461 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.877 8.515 -3.396 1.00 0.00 H new ATOM 1230 N LYS A 85 143.138 5.191 -6.194 1.00 0.00 N ATOM 1231 CA LYS A 85 141.990 5.122 -7.089 1.00 0.00 C ATOM 1232 C LYS A 85 141.606 3.673 -7.372 1.00 0.00 C ATOM 1233 O LYS A 85 140.448 3.373 -7.667 1.00 0.00 O ATOM 1234 CB LYS A 85 142.293 5.847 -8.402 1.00 0.00 C ATOM 1235 CG LYS A 85 143.649 5.494 -8.994 1.00 0.00 C ATOM 1236 CD LYS A 85 144.650 6.623 -8.809 1.00 0.00 C ATOM 1237 CE LYS A 85 144.379 7.771 -9.768 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.695 9.092 -9.156 1.00 0.00 N ATOM 0 H LYS A 85 143.971 5.610 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 85 141.150 5.613 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.516 5.607 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.249 6.923 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 85 144.029 4.589 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.538 5.276 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.604 6.987 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 85 145.660 6.245 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 85 144.974 7.638 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 85 143.332 7.752 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 144.497 9.849 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.109 9.231 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 145.700 9.120 -8.891 1.00 0.00 H new ATOM 1252 N SER A 86 142.584 2.775 -7.280 1.00 0.00 N ATOM 1253 CA SER A 86 142.345 1.358 -7.525 1.00 0.00 C ATOM 1254 C SER A 86 142.297 0.580 -6.214 1.00 0.00 C ATOM 1255 O SER A 86 142.676 -0.590 -6.160 1.00 0.00 O ATOM 1256 CB SER A 86 143.436 0.785 -8.432 1.00 0.00 C ATOM 1257 OG SER A 86 143.186 1.098 -9.791 1.00 0.00 O ATOM 0 H SER A 86 143.548 3.005 -7.038 1.00 0.00 H new ATOM 0 HA SER A 86 141.380 1.258 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.406 1.184 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.485 -0.297 -8.308 1.00 0.00 H new ATOM 0 HG SER A 86 143.898 0.722 -10.350 1.00 0.00 H new ATOM 1263 N CYS A 87 141.826 1.238 -5.159 1.00 0.00 N ATOM 1264 CA CYS A 87 141.728 0.608 -3.846 1.00 0.00 C ATOM 1265 C CYS A 87 140.270 0.475 -3.416 1.00 0.00 C ATOM 1266 O CYS A 87 139.516 1.447 -3.434 1.00 0.00 O ATOM 1267 CB CYS A 87 142.505 1.419 -2.808 1.00 0.00 C ATOM 1268 SG CYS A 87 144.295 1.167 -2.864 1.00 0.00 S ATOM 0 H CYS A 87 141.506 2.206 -5.187 1.00 0.00 H new ATOM 0 HA CYS A 87 142.162 -0.390 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.293 2.478 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 87 142.143 1.158 -1.814 1.00 0.00 H new ATOM 0 HG CYS A 87 144.778 1.723 -3.935 1.00 0.00 H new ATOM 1274 N ARG A 88 139.880 -0.736 -3.030 1.00 0.00 N ATOM 1275 CA ARG A 88 138.512 -0.995 -2.595 1.00 0.00 C ATOM 1276 C ARG A 88 138.430 -1.067 -1.070 1.00 0.00 C ATOM 1277 O ARG A 88 139.290 -1.665 -0.424 1.00 0.00 O ATOM 1278 CB ARG A 88 138.000 -2.300 -3.207 1.00 0.00 C ATOM 1279 CG ARG A 88 137.215 -2.102 -4.496 1.00 0.00 C ATOM 1280 CD ARG A 88 135.847 -2.762 -4.426 1.00 0.00 C ATOM 1281 NE ARG A 88 135.501 -3.440 -5.673 1.00 0.00 N ATOM 1282 CZ ARG A 88 136.046 -4.589 -6.067 1.00 0.00 C ATOM 1283 NH1 ARG A 88 136.960 -5.190 -5.316 1.00 0.00 N ATOM 1284 NH2 ARG A 88 135.675 -5.138 -7.216 1.00 0.00 N ATOM 0 H ARG A 88 140.491 -1.552 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 88 137.885 -0.171 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.848 -2.956 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.367 -2.808 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.096 -1.036 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.777 -2.517 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.833 -3.481 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.092 -2.008 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 88 134.801 -3.008 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 88 137.249 -4.772 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 88 137.374 -6.070 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.973 -4.680 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 88 136.092 -6.018 -7.519 1.00 0.00 H new ATOM 1298 N PRO A 89 137.389 -0.458 -0.470 1.00 0.00 N ATOM 1299 CA PRO A 89 137.207 -0.463 0.985 1.00 0.00 C ATOM 1300 C PRO A 89 137.212 -1.874 1.563 1.00 0.00 C ATOM 1301 O PRO A 89 136.542 -2.770 1.047 1.00 0.00 O ATOM 1302 CB PRO A 89 135.834 0.187 1.178 1.00 0.00 C ATOM 1303 CG PRO A 89 135.628 1.014 -0.042 1.00 0.00 C ATOM 1304 CD PRO A 89 136.314 0.280 -1.159 1.00 0.00 C ATOM 0 HA PRO A 89 138.015 0.060 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.052 -0.565 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.810 0.799 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.566 1.141 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 89 136.049 2.011 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.631 -0.394 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.712 0.966 -1.906 1.00 0.00 H new ATOM 1312 N ASP A 90 137.971 -2.066 2.637 1.00 0.00 N ATOM 1313 CA ASP A 90 138.062 -3.369 3.286 1.00 0.00 C ATOM 1314 C ASP A 90 137.194 -3.414 4.539 1.00 0.00 C ATOM 1315 O ASP A 90 137.553 -2.852 5.574 1.00 0.00 O ATOM 1316 CB ASP A 90 139.515 -3.683 3.646 1.00 0.00 C ATOM 1317 CG ASP A 90 139.770 -5.170 3.779 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.998 -5.960 3.194 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.742 -5.547 4.466 1.00 0.00 O ATOM 0 H ASP A 90 138.532 -1.336 3.076 1.00 0.00 H new ATOM 0 HA ASP A 90 137.698 -4.122 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.173 -3.272 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.769 -3.189 4.584 1.00 0.00 H new ATOM 1324 N SER A 91 136.051 -4.083 4.438 1.00 0.00 N ATOM 1325 CA SER A 91 135.132 -4.199 5.565 1.00 0.00 C ATOM 1326 C SER A 91 135.319 -5.531 6.287 1.00 0.00 C ATOM 1327 O SER A 91 134.391 -6.042 6.914 1.00 0.00 O ATOM 1328 CB SER A 91 133.685 -4.070 5.084 1.00 0.00 C ATOM 1329 OG SER A 91 132.862 -3.503 6.087 1.00 0.00 O ATOM 0 H SER A 91 135.739 -4.553 3.588 1.00 0.00 H new ATOM 0 HA SER A 91 135.352 -3.392 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.650 -3.450 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.302 -5.052 4.807 1.00 0.00 H new ATOM 0 HG SER A 91 131.943 -3.430 5.754 1.00 0.00 H new ATOM 1335 N ARG A 92 136.523 -6.087 6.196 1.00 0.00 N ATOM 1336 CA ARG A 92 136.827 -7.358 6.843 1.00 0.00 C ATOM 1337 C ARG A 92 136.775 -7.223 8.361 1.00 0.00 C ATOM 1338 O ARG A 92 136.495 -8.190 9.069 1.00 0.00 O ATOM 1339 CB ARG A 92 138.206 -7.857 6.410 1.00 0.00 C ATOM 1340 CG ARG A 92 138.174 -8.739 5.172 1.00 0.00 C ATOM 1341 CD ARG A 92 138.248 -10.214 5.535 1.00 0.00 C ATOM 1342 NE ARG A 92 136.935 -10.764 5.863 1.00 0.00 N ATOM 1343 CZ ARG A 92 136.749 -11.965 6.405 1.00 0.00 C ATOM 1344 NH1 ARG A 92 137.787 -12.744 6.682 1.00 0.00 N ATOM 1345 NH2 ARG A 92 135.521 -12.389 6.672 1.00 0.00 N ATOM 0 H ARG A 92 137.303 -5.678 5.681 1.00 0.00 H new ATOM 0 HA ARG A 92 136.073 -8.083 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 92 138.850 -6.999 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.656 -8.415 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 92 137.259 -8.547 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.008 -8.482 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 92 138.677 -10.771 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 92 138.918 -10.345 6.384 1.00 0.00 H new ATOM 0 HE ARG A 92 136.113 -10.194 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.734 -12.423 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 92 137.638 -13.664 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 92 134.719 -11.795 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 92 135.378 -13.310 7.087 1.00 0.00 H new ATOM 1359 N PHE A 93 137.048 -6.019 8.855 1.00 0.00 N ATOM 1360 CA PHE A 93 137.034 -5.761 10.290 1.00 0.00 C ATOM 1361 C PHE A 93 135.930 -4.775 10.661 1.00 0.00 C ATOM 1362 O PHE A 93 136.032 -4.064 11.661 1.00 0.00 O ATOM 1363 CB PHE A 93 138.389 -5.219 10.745 1.00 0.00 C ATOM 1364 CG PHE A 93 139.526 -6.177 10.522 1.00 0.00 C ATOM 1365 CD1 PHE A 93 139.891 -6.553 9.239 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.229 -6.702 11.595 1.00 0.00 C ATOM 1367 CE1 PHE A 93 140.935 -7.433 9.030 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.274 -7.583 11.393 1.00 0.00 C ATOM 1369 CZ PHE A 93 141.628 -7.948 10.109 1.00 0.00 C ATOM 0 H PHE A 93 137.281 -5.208 8.283 1.00 0.00 H new ATOM 0 HA PHE A 93 136.836 -6.705 10.798 1.00 0.00 H new ATOM 0 HB2 PHE A 93 138.597 -4.291 10.213 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.335 -4.973 11.805 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.353 -6.153 8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 93 139.957 -6.419 12.601 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.209 -7.718 8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 93 141.813 -7.986 12.238 1.00 0.00 H new ATOM 0 HZ PHE A 93 142.446 -8.635 9.948 1.00 0.00 H new ATOM 1379 N ALA A 94 134.873 -4.736 9.854 1.00 0.00 N ATOM 1380 CA ALA A 94 133.756 -3.835 10.107 1.00 0.00 C ATOM 1381 C ALA A 94 132.757 -4.457 11.077 1.00 0.00 C ATOM 1382 O ALA A 94 132.321 -5.594 10.889 1.00 0.00 O ATOM 1383 CB ALA A 94 133.067 -3.468 8.802 1.00 0.00 C ATOM 0 H ALA A 94 134.768 -5.317 9.022 1.00 0.00 H new ATOM 0 HA ALA A 94 134.151 -2.928 10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.235 -2.795 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 94 133.779 -2.974 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.693 -4.372 8.322 1.00 0.00 H new ATOM 1389 N SER A 95 132.399 -3.706 12.113 1.00 0.00 N ATOM 1390 CA SER A 95 131.452 -4.186 13.113 1.00 0.00 C ATOM 1391 C SER A 95 130.078 -3.554 12.910 1.00 0.00 C ATOM 1392 O SER A 95 129.848 -2.409 13.298 1.00 0.00 O ATOM 1393 CB SER A 95 131.965 -3.878 14.521 1.00 0.00 C ATOM 1394 OG SER A 95 133.165 -4.580 14.792 1.00 0.00 O ATOM 0 H SER A 95 132.750 -2.763 12.282 1.00 0.00 H new ATOM 0 HA SER A 95 131.356 -5.266 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 95 132.136 -2.806 14.623 1.00 0.00 H new ATOM 0 HB3 SER A 95 131.207 -4.151 15.255 1.00 0.00 H new ATOM 0 HG SER A 95 133.473 -4.365 15.697 1.00 0.00 H new ATOM 1400 N LEU A 96 129.170 -4.307 12.301 1.00 0.00 N ATOM 1401 CA LEU A 96 127.818 -3.822 12.047 1.00 0.00 C ATOM 1402 C LEU A 96 126.868 -4.978 11.769 1.00 0.00 C ATOM 1403 O LEU A 96 125.968 -5.262 12.560 1.00 0.00 O ATOM 1404 CB LEU A 96 127.817 -2.846 10.868 1.00 0.00 C ATOM 1405 CG LEU A 96 126.848 -1.671 11.002 1.00 0.00 C ATOM 1406 CD1 LEU A 96 127.276 -0.753 12.137 1.00 0.00 C ATOM 1407 CD2 LEU A 96 126.762 -0.899 9.694 1.00 0.00 C ATOM 0 H LEU A 96 129.345 -5.257 11.973 1.00 0.00 H new ATOM 0 HA LEU A 96 127.472 -3.301 12.940 1.00 0.00 H new ATOM 0 HB2 LEU A 96 128.826 -2.453 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 96 127.573 -3.397 9.960 1.00 0.00 H new ATOM 0 HG LEU A 96 125.859 -2.066 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 96 126.575 0.078 12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 96 127.286 -1.312 13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 96 128.275 -0.366 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 96 126.068 -0.066 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 96 127.748 -0.516 9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 96 126.408 -1.561 8.903 1.00 0.00 H new ATOM 1419 N GLN A 97 127.076 -5.641 10.640 1.00 0.00 N ATOM 1420 CA GLN A 97 126.241 -6.771 10.249 1.00 0.00 C ATOM 1421 C GLN A 97 126.998 -7.707 9.308 1.00 0.00 C ATOM 1422 O GLN A 97 127.832 -7.264 8.518 1.00 0.00 O ATOM 1423 CB GLN A 97 124.960 -6.276 9.574 1.00 0.00 C ATOM 1424 CG GLN A 97 123.774 -6.178 10.520 1.00 0.00 C ATOM 1425 CD GLN A 97 123.253 -7.538 10.943 1.00 0.00 C ATOM 1426 OE1 GLN A 97 123.808 -8.075 12.023 1.00 0.00 O flip ATOM 1427 NE2 GLN A 97 122.361 -8.099 10.307 1.00 0.00 N flip ATOM 0 H GLN A 97 127.817 -5.416 9.976 1.00 0.00 H new ATOM 0 HA GLN A 97 125.977 -7.326 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 97 125.146 -5.296 9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 97 124.707 -6.950 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 97 124.066 -5.613 11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 97 122.972 -5.620 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 97 121.963 -7.650 9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 97 122.020 -9.013 10.604 1.00 0.00 H new ATOM 1436 N PRO A 98 126.716 -9.019 9.381 1.00 0.00 N ATOM 1437 CA PRO A 98 127.376 -10.016 8.532 1.00 0.00 C ATOM 1438 C PRO A 98 127.270 -9.675 7.049 1.00 0.00 C ATOM 1439 O PRO A 98 126.214 -9.258 6.572 1.00 0.00 O ATOM 1440 CB PRO A 98 126.617 -11.309 8.838 1.00 0.00 C ATOM 1441 CG PRO A 98 126.044 -11.102 10.197 1.00 0.00 C ATOM 1442 CD PRO A 98 125.737 -9.634 10.295 1.00 0.00 C ATOM 0 HA PRO A 98 128.445 -10.078 8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 98 125.834 -11.491 8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 98 127.282 -12.172 8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 98 125.143 -11.700 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 98 126.751 -11.406 10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 98 124.713 -9.417 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 98 125.853 -9.266 11.315 1.00 0.00 H new ATOM 1450 N SER A 99 128.369 -9.858 6.324 1.00 0.00 N ATOM 1451 CA SER A 99 128.399 -9.570 4.895 1.00 0.00 C ATOM 1452 C SER A 99 128.077 -8.103 4.626 1.00 0.00 C ATOM 1453 O SER A 99 127.588 -7.393 5.505 1.00 0.00 O ATOM 1454 CB SER A 99 127.406 -10.466 4.153 1.00 0.00 C ATOM 1455 OG SER A 99 127.943 -10.913 2.920 1.00 0.00 O ATOM 0 H SER A 99 129.250 -10.204 6.703 1.00 0.00 H new ATOM 0 HA SER A 99 129.406 -9.774 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 99 127.152 -11.324 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 99 126.481 -9.918 3.973 1.00 0.00 H new ATOM 0 HG SER A 99 127.289 -11.485 2.467 1.00 0.00 H new ATOM 1461 N GLY A 100 128.355 -7.656 3.406 1.00 0.00 N ATOM 1462 CA GLY A 100 128.090 -6.277 3.042 1.00 0.00 C ATOM 1463 C GLY A 100 126.602 -5.977 2.953 1.00 0.00 C ATOM 1464 O GLY A 100 125.843 -6.340 3.851 1.00 0.00 O ATOM 0 H GLY A 100 128.760 -8.225 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 100 128.548 -5.615 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 100 128.560 -6.061 2.082 1.00 0.00 H new ATOM 1468 N PRO A 101 126.151 -5.310 1.875 1.00 0.00 N ATOM 1469 CA PRO A 101 124.735 -4.972 1.693 1.00 0.00 C ATOM 1470 C PRO A 101 123.819 -6.174 1.896 1.00 0.00 C ATOM 1471 O PRO A 101 122.650 -6.023 2.253 1.00 0.00 O ATOM 1472 CB PRO A 101 124.670 -4.489 0.244 1.00 0.00 C ATOM 1473 CG PRO A 101 126.037 -3.973 -0.043 1.00 0.00 C ATOM 1474 CD PRO A 101 126.981 -4.835 0.750 1.00 0.00 C ATOM 0 HA PRO A 101 124.396 -4.233 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 101 124.403 -5.301 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 101 123.918 -3.710 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 101 126.259 -4.029 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 101 126.128 -2.926 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 101 127.363 -5.664 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 101 127.844 -4.269 1.099 1.00 0.00 H new ATOM 1482 N SER A 102 124.356 -7.368 1.667 1.00 0.00 N ATOM 1483 CA SER A 102 123.586 -8.596 1.826 1.00 0.00 C ATOM 1484 C SER A 102 122.398 -8.621 0.870 1.00 0.00 C ATOM 1485 O SER A 102 121.465 -7.828 1.002 1.00 0.00 O ATOM 1486 CB SER A 102 123.096 -8.734 3.269 1.00 0.00 C ATOM 1487 OG SER A 102 122.624 -10.046 3.525 1.00 0.00 O ATOM 0 H SER A 102 125.321 -7.511 1.371 1.00 0.00 H new ATOM 0 HA SER A 102 124.239 -9.436 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 102 123.908 -8.496 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 102 122.299 -8.015 3.456 1.00 0.00 H new ATOM 0 HG SER A 102 122.318 -10.108 4.454 1.00 0.00 H new ATOM 1493 N SER A 103 122.438 -9.537 -0.093 1.00 0.00 N ATOM 1494 CA SER A 103 121.366 -9.665 -1.072 1.00 0.00 C ATOM 1495 C SER A 103 120.185 -10.435 -0.487 1.00 0.00 C ATOM 1496 O SER A 103 119.033 -10.025 -0.627 1.00 0.00 O ATOM 1497 CB SER A 103 121.876 -10.370 -2.329 1.00 0.00 C ATOM 1498 OG SER A 103 120.830 -10.568 -3.265 1.00 0.00 O ATOM 0 H SER A 103 123.202 -10.201 -0.216 1.00 0.00 H new ATOM 0 HA SER A 103 121.029 -8.663 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 103 122.669 -9.777 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 103 122.312 -11.331 -2.058 1.00 0.00 H new ATOM 0 HG SER A 103 121.183 -11.019 -4.060 1.00 0.00 H new ATOM 1504 N GLY A 104 120.480 -11.552 0.168 1.00 0.00 N ATOM 1505 CA GLY A 104 119.434 -12.362 0.764 1.00 0.00 C ATOM 1506 C GLY A 104 119.128 -11.954 2.192 1.00 0.00 C ATOM 1507 O GLY A 104 119.791 -12.475 3.113 1.00 0.00 O ATOM 1508 OXT GLY A 104 118.225 -11.113 2.389 1.00 0.00 O ATOM 0 H GLY A 104 121.426 -11.911 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 104 118.528 -12.279 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 104 119.735 -13.410 0.745 1.00 0.00 H new TER 1512 GLY A 104