USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 Single : A 1 GLY N :NH3+ 180:sc= -0.0299 (180deg=-0.0299) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -16:sc= 0.129 USER MOD Single : A 12 SER OG : rot 73:sc= 0.691 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 0.00971 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 177:sc= 1.03 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00658 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 136:sc= 1.67 USER MOD Single : A 57 ASN : amide:sc= 0.664 K(o=0.66,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= 0.73 K(o=0.73,f=-0.048) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.075) USER MOD Single : A 73 ASN : amide:sc= 0.806 K(o=0.81,f=-0.58) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00864 USER MOD Single : A 81 HIS : no HE2:sc= 0.424 K(o=0.42,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.048 20.161 -9.724 1.00 1.00 N ATOM 2 CA GLY A 1 14.783 18.751 -10.027 1.00 1.00 C ATOM 3 C GLY A 1 13.970 18.005 -8.960 1.00 1.00 C ATOM 4 O GLY A 1 13.635 16.834 -9.148 1.00 1.00 O ATOM 0 H1 GLY A 1 15.601 20.584 -10.497 1.00 1.00 H new ATOM 0 H2 GLY A 1 14.147 20.670 -9.624 1.00 1.00 H new ATOM 0 H3 GLY A 1 15.585 20.230 -8.836 1.00 1.00 H new ATOM 0 HA2 GLY A 1 14.251 18.692 -10.976 1.00 1.00 H new ATOM 0 HA3 GLY A 1 15.735 18.238 -10.163 1.00 1.00 H new ATOM 8 N SER A 2 13.625 18.663 -7.848 1.00 1.00 N ATOM 9 CA SER A 2 12.932 18.064 -6.693 1.00 1.00 C ATOM 10 C SER A 2 11.618 17.357 -7.051 1.00 1.00 C ATOM 11 O SER A 2 11.317 16.306 -6.488 1.00 1.00 O ATOM 12 CB SER A 2 12.656 19.132 -5.627 1.00 1.00 C ATOM 13 OG SER A 2 13.862 19.782 -5.248 1.00 1.00 O ATOM 0 H SER A 2 13.824 19.655 -7.719 1.00 1.00 H new ATOM 0 HA SER A 2 13.607 17.299 -6.309 1.00 1.00 H new ATOM 0 HB2 SER A 2 11.947 19.865 -6.013 1.00 1.00 H new ATOM 0 HB3 SER A 2 12.194 18.671 -4.754 1.00 1.00 H new ATOM 0 HG SER A 2 13.668 20.461 -4.569 1.00 1.00 H new ATOM 19 N HIS A 3 10.855 17.877 -8.018 1.00 1.00 N ATOM 20 CA HIS A 3 9.612 17.251 -8.493 1.00 1.00 C ATOM 21 C HIS A 3 9.852 15.879 -9.153 1.00 1.00 C ATOM 22 O HIS A 3 9.085 14.940 -8.930 1.00 1.00 O ATOM 23 CB HIS A 3 8.900 18.204 -9.465 1.00 1.00 C ATOM 24 CG HIS A 3 8.568 19.548 -8.863 1.00 1.00 C ATOM 25 ND1 HIS A 3 7.656 19.791 -7.858 1.00 1.00 N ATOM 26 CD2 HIS A 3 9.120 20.754 -9.205 1.00 1.00 C ATOM 27 CE1 HIS A 3 7.659 21.110 -7.597 1.00 1.00 C ATOM 28 NE2 HIS A 3 8.540 21.742 -8.395 1.00 1.00 N ATOM 0 H HIS A 3 11.082 18.749 -8.497 1.00 1.00 H new ATOM 0 HA HIS A 3 8.979 17.068 -7.625 1.00 1.00 H new ATOM 0 HB2 HIS A 3 9.531 18.354 -10.341 1.00 1.00 H new ATOM 0 HB3 HIS A 3 7.980 17.734 -9.812 1.00 1.00 H new ATOM 0 HD2 HIS A 3 9.870 20.916 -9.965 1.00 1.00 H new ATOM 0 HE1 HIS A 3 7.043 21.593 -6.853 1.00 1.00 H new ATOM 0 HE2 HIS A 3 8.745 22.741 -8.408 1.00 1.00 H new ATOM 36 N MET A 4 10.940 15.733 -9.922 1.00 1.00 N ATOM 37 CA MET A 4 11.357 14.451 -10.504 1.00 1.00 C ATOM 38 C MET A 4 11.832 13.476 -9.418 1.00 1.00 C ATOM 39 O MET A 4 11.432 12.312 -9.428 1.00 1.00 O ATOM 40 CB MET A 4 12.436 14.704 -11.576 1.00 1.00 C ATOM 41 CG MET A 4 12.883 13.437 -12.316 1.00 1.00 C ATOM 42 SD MET A 4 14.145 12.441 -11.467 1.00 1.00 S ATOM 43 CE MET A 4 14.251 11.044 -12.617 1.00 1.00 C ATOM 0 H MET A 4 11.560 16.508 -10.159 1.00 1.00 H new ATOM 0 HA MET A 4 10.502 13.977 -10.986 1.00 1.00 H new ATOM 0 HB2 MET A 4 12.053 15.421 -12.302 1.00 1.00 H new ATOM 0 HB3 MET A 4 13.304 15.163 -11.103 1.00 1.00 H new ATOM 0 HG2 MET A 4 12.008 12.811 -12.491 1.00 1.00 H new ATOM 0 HG3 MET A 4 13.269 13.725 -13.294 1.00 1.00 H new ATOM 0 HE1 MET A 4 14.985 10.326 -12.251 1.00 1.00 H new ATOM 0 HE2 MET A 4 13.277 10.560 -12.692 1.00 1.00 H new ATOM 0 HE3 MET A 4 14.554 11.404 -13.600 1.00 1.00 H new ATOM 53 N LEU A 5 12.612 13.952 -8.440 1.00 1.00 N ATOM 54 CA LEU A 5 13.087 13.138 -7.312 1.00 1.00 C ATOM 55 C LEU A 5 11.942 12.636 -6.413 1.00 1.00 C ATOM 56 O LEU A 5 11.966 11.495 -5.952 1.00 1.00 O ATOM 57 CB LEU A 5 14.115 13.937 -6.489 1.00 1.00 C ATOM 58 CG LEU A 5 15.402 14.318 -7.248 1.00 1.00 C ATOM 59 CD1 LEU A 5 16.288 15.185 -6.353 1.00 1.00 C ATOM 60 CD2 LEU A 5 16.216 13.095 -7.680 1.00 1.00 C ATOM 0 H LEU A 5 12.934 14.919 -8.408 1.00 1.00 H new ATOM 0 HA LEU A 5 13.562 12.250 -7.729 1.00 1.00 H new ATOM 0 HB2 LEU A 5 13.640 14.849 -6.129 1.00 1.00 H new ATOM 0 HB3 LEU A 5 14.389 13.352 -5.611 1.00 1.00 H new ATOM 0 HG LEU A 5 15.091 14.857 -8.143 1.00 1.00 H new ATOM 0 HD11 LEU A 5 17.197 15.453 -6.891 1.00 1.00 H new ATOM 0 HD12 LEU A 5 15.749 16.091 -6.076 1.00 1.00 H new ATOM 0 HD13 LEU A 5 16.550 14.629 -5.453 1.00 1.00 H new ATOM 0 HD21 LEU A 5 17.111 13.422 -8.210 1.00 1.00 H new ATOM 0 HD22 LEU A 5 16.505 12.521 -6.800 1.00 1.00 H new ATOM 0 HD23 LEU A 5 15.612 12.470 -8.339 1.00 1.00 H new ATOM 72 N GLU A 6 10.905 13.447 -6.188 1.00 1.00 N ATOM 73 CA GLU A 6 9.685 13.005 -5.497 1.00 1.00 C ATOM 74 C GLU A 6 8.861 12.020 -6.340 1.00 1.00 C ATOM 75 O GLU A 6 8.325 11.053 -5.797 1.00 1.00 O ATOM 76 CB GLU A 6 8.824 14.217 -5.100 1.00 1.00 C ATOM 77 CG GLU A 6 9.418 15.049 -3.951 1.00 1.00 C ATOM 78 CD GLU A 6 9.387 14.294 -2.615 1.00 1.00 C ATOM 79 OE1 GLU A 6 8.332 14.339 -1.937 1.00 1.00 O ATOM 80 OE2 GLU A 6 10.415 13.664 -2.267 1.00 1.00 O ATOM 0 H GLU A 6 10.884 14.425 -6.477 1.00 1.00 H new ATOM 0 HA GLU A 6 10.000 12.476 -4.597 1.00 1.00 H new ATOM 0 HB2 GLU A 6 8.693 14.859 -5.971 1.00 1.00 H new ATOM 0 HB3 GLU A 6 7.833 13.868 -4.809 1.00 1.00 H new ATOM 0 HG2 GLU A 6 10.447 15.316 -4.192 1.00 1.00 H new ATOM 0 HG3 GLU A 6 8.861 15.981 -3.853 1.00 1.00 H new ATOM 87 N SER A 7 8.795 12.209 -7.662 1.00 1.00 N ATOM 88 CA SER A 7 8.133 11.272 -8.577 1.00 1.00 C ATOM 89 C SER A 7 8.817 9.896 -8.591 1.00 1.00 C ATOM 90 O SER A 7 8.139 8.872 -8.483 1.00 1.00 O ATOM 91 CB SER A 7 8.080 11.867 -9.989 1.00 1.00 C ATOM 92 OG SER A 7 7.286 11.061 -10.842 1.00 1.00 O ATOM 0 H SER A 7 9.201 13.019 -8.130 1.00 1.00 H new ATOM 0 HA SER A 7 7.116 11.117 -8.215 1.00 1.00 H new ATOM 0 HB2 SER A 7 7.670 12.876 -9.949 1.00 1.00 H new ATOM 0 HB3 SER A 7 9.089 11.949 -10.393 1.00 1.00 H new ATOM 0 HG SER A 7 7.263 11.457 -11.738 1.00 1.00 H new ATOM 98 N SER A 8 10.155 9.842 -8.654 1.00 1.00 N ATOM 99 CA SER A 8 10.915 8.582 -8.588 1.00 1.00 C ATOM 100 C SER A 8 10.829 7.901 -7.216 1.00 1.00 C ATOM 101 O SER A 8 10.733 6.673 -7.148 1.00 1.00 O ATOM 102 CB SER A 8 12.371 8.771 -9.031 1.00 1.00 C ATOM 103 OG SER A 8 13.101 9.592 -8.137 1.00 1.00 O ATOM 0 H SER A 8 10.743 10.670 -8.752 1.00 1.00 H new ATOM 0 HA SER A 8 10.438 7.906 -9.297 1.00 1.00 H new ATOM 0 HB2 SER A 8 12.855 7.797 -9.105 1.00 1.00 H new ATOM 0 HB3 SER A 8 12.391 9.214 -10.027 1.00 1.00 H new ATOM 0 HG SER A 8 12.478 10.084 -7.562 1.00 1.00 H new ATOM 109 N ALA A 9 10.807 8.665 -6.117 1.00 1.00 N ATOM 110 CA ALA A 9 10.563 8.134 -4.775 1.00 1.00 C ATOM 111 C ALA A 9 9.150 7.532 -4.632 1.00 1.00 C ATOM 112 O ALA A 9 8.997 6.436 -4.089 1.00 1.00 O ATOM 113 CB ALA A 9 10.805 9.247 -3.748 1.00 1.00 C ATOM 0 H ALA A 9 10.959 9.673 -6.136 1.00 1.00 H new ATOM 0 HA ALA A 9 11.258 7.314 -4.594 1.00 1.00 H new ATOM 0 HB1 ALA A 9 10.626 8.861 -2.744 1.00 1.00 H new ATOM 0 HB2 ALA A 9 11.835 9.595 -3.824 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.126 10.077 -3.944 1.00 1.00 H new ATOM 119 N GLU A 10 8.117 8.200 -5.155 1.00 1.00 N ATOM 120 CA GLU A 10 6.745 7.671 -5.169 1.00 1.00 C ATOM 121 C GLU A 10 6.605 6.439 -6.083 1.00 1.00 C ATOM 122 O GLU A 10 5.932 5.477 -5.724 1.00 1.00 O ATOM 123 CB GLU A 10 5.760 8.782 -5.570 1.00 1.00 C ATOM 124 CG GLU A 10 4.304 8.366 -5.318 1.00 1.00 C ATOM 125 CD GLU A 10 3.322 9.494 -5.651 1.00 1.00 C ATOM 126 OE1 GLU A 10 3.322 10.517 -4.924 1.00 1.00 O ATOM 127 OE2 GLU A 10 2.551 9.330 -6.628 1.00 1.00 O ATOM 0 H GLU A 10 8.206 9.123 -5.581 1.00 1.00 H new ATOM 0 HA GLU A 10 6.504 7.334 -4.161 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.983 9.687 -5.006 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.893 9.023 -6.625 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.067 7.489 -5.921 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.184 8.077 -4.274 1.00 1.00 H new ATOM 134 N GLU A 11 7.288 6.414 -7.230 1.00 1.00 N ATOM 135 CA GLU A 11 7.376 5.241 -8.108 1.00 1.00 C ATOM 136 C GLU A 11 8.084 4.053 -7.429 1.00 1.00 C ATOM 137 O GLU A 11 7.644 2.909 -7.560 1.00 1.00 O ATOM 138 CB GLU A 11 8.077 5.660 -9.411 1.00 1.00 C ATOM 139 CG GLU A 11 8.223 4.524 -10.429 1.00 1.00 C ATOM 140 CD GLU A 11 8.780 5.049 -11.758 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.013 5.266 -11.837 1.00 1.00 O ATOM 142 OE2 GLU A 11 7.974 5.238 -12.703 1.00 1.00 O ATOM 0 H GLU A 11 7.804 7.220 -7.582 1.00 1.00 H new ATOM 0 HA GLU A 11 6.370 4.888 -8.333 1.00 1.00 H new ATOM 0 HB2 GLU A 11 7.516 6.475 -9.868 1.00 1.00 H new ATOM 0 HB3 GLU A 11 9.066 6.049 -9.171 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.886 3.756 -10.030 1.00 1.00 H new ATOM 0 HG3 GLU A 11 7.254 4.054 -10.597 1.00 1.00 H new ATOM 149 N SER A 12 9.131 4.312 -6.641 1.00 1.00 N ATOM 150 CA SER A 12 9.791 3.289 -5.814 1.00 1.00 C ATOM 151 C SER A 12 8.866 2.763 -4.710 1.00 1.00 C ATOM 152 O SER A 12 8.849 1.563 -4.437 1.00 1.00 O ATOM 153 CB SER A 12 11.081 3.834 -5.186 1.00 1.00 C ATOM 154 OG SER A 12 12.003 4.242 -6.185 1.00 1.00 O ATOM 0 H SER A 12 9.549 5.239 -6.556 1.00 1.00 H new ATOM 0 HA SER A 12 10.038 2.461 -6.478 1.00 1.00 H new ATOM 0 HB2 SER A 12 10.845 4.678 -4.538 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.536 3.067 -4.558 1.00 1.00 H new ATOM 0 HG SER A 12 11.688 5.071 -6.602 1.00 1.00 H new ATOM 160 N LEU A 13 8.040 3.626 -4.109 1.00 1.00 N ATOM 161 CA LEU A 13 7.019 3.220 -3.138 1.00 1.00 C ATOM 162 C LEU A 13 5.904 2.401 -3.810 1.00 1.00 C ATOM 163 O LEU A 13 5.487 1.387 -3.261 1.00 1.00 O ATOM 164 CB LEU A 13 6.506 4.480 -2.406 1.00 1.00 C ATOM 165 CG LEU A 13 5.566 4.295 -1.195 1.00 1.00 C ATOM 166 CD1 LEU A 13 4.113 4.003 -1.577 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.051 3.222 -0.217 1.00 1.00 C ATOM 0 H LEU A 13 8.061 4.631 -4.284 1.00 1.00 H new ATOM 0 HA LEU A 13 7.449 2.552 -2.392 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.375 5.044 -2.068 1.00 1.00 H new ATOM 0 HB3 LEU A 13 5.987 5.100 -3.137 1.00 1.00 H new ATOM 0 HG LEU A 13 5.596 5.265 -0.699 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.516 3.886 -0.673 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.719 4.830 -2.168 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.068 3.085 -2.163 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.348 3.140 0.612 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.118 2.264 -0.732 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.033 3.497 0.167 1.00 1.00 H new ATOM 179 N ALA A 14 5.479 2.754 -5.027 1.00 1.00 N ATOM 180 CA ALA A 14 4.548 1.950 -5.821 1.00 1.00 C ATOM 181 C ALA A 14 5.119 0.555 -6.164 1.00 1.00 C ATOM 182 O ALA A 14 4.388 -0.436 -6.130 1.00 1.00 O ATOM 183 CB ALA A 14 4.146 2.734 -7.075 1.00 1.00 C ATOM 0 H ALA A 14 5.774 3.613 -5.491 1.00 1.00 H new ATOM 0 HA ALA A 14 3.656 1.760 -5.224 1.00 1.00 H new ATOM 0 HB1 ALA A 14 3.453 2.139 -7.669 1.00 1.00 H new ATOM 0 HB2 ALA A 14 3.665 3.667 -6.782 1.00 1.00 H new ATOM 0 HB3 ALA A 14 5.034 2.954 -7.667 1.00 1.00 H new ATOM 189 N TYR A 15 6.426 0.445 -6.432 1.00 1.00 N ATOM 190 CA TYR A 15 7.109 -0.844 -6.598 1.00 1.00 C ATOM 191 C TYR A 15 7.121 -1.686 -5.304 1.00 1.00 C ATOM 192 O TYR A 15 6.853 -2.889 -5.350 1.00 1.00 O ATOM 193 CB TYR A 15 8.530 -0.607 -7.128 1.00 1.00 C ATOM 194 CG TYR A 15 9.268 -1.891 -7.451 1.00 1.00 C ATOM 195 CD1 TYR A 15 8.918 -2.626 -8.600 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.275 -2.371 -6.589 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.568 -3.840 -8.889 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.930 -3.583 -6.877 1.00 1.00 C ATOM 199 CZ TYR A 15 10.579 -4.323 -8.028 1.00 1.00 C ATOM 200 OH TYR A 15 11.215 -5.497 -8.296 1.00 1.00 O ATOM 0 H TYR A 15 7.042 1.251 -6.540 1.00 1.00 H new ATOM 0 HA TYR A 15 6.547 -1.429 -7.326 1.00 1.00 H new ATOM 0 HB2 TYR A 15 8.478 0.010 -8.025 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.098 -0.045 -6.387 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.148 -2.257 -9.261 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.544 -1.808 -5.707 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.294 -4.403 -9.769 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.703 -3.948 -6.217 1.00 1.00 H new ATOM 0 HH TYR A 15 11.881 -5.674 -7.600 1.00 1.00 H new ATOM 210 N ARG A 16 7.352 -1.063 -4.136 1.00 1.00 N ATOM 211 CA ARG A 16 7.211 -1.718 -2.815 1.00 1.00 C ATOM 212 C ARG A 16 5.772 -2.148 -2.526 1.00 1.00 C ATOM 213 O ARG A 16 5.542 -3.244 -2.025 1.00 1.00 O ATOM 214 CB ARG A 16 7.697 -0.785 -1.691 1.00 1.00 C ATOM 215 CG ARG A 16 9.210 -0.523 -1.721 1.00 1.00 C ATOM 216 CD ARG A 16 9.623 0.552 -0.708 1.00 1.00 C ATOM 217 NE ARG A 16 9.302 0.172 0.680 1.00 1.00 N ATOM 218 CZ ARG A 16 9.403 0.952 1.744 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.832 2.186 1.677 1.00 1.00 N ATOM 220 NH2 ARG A 16 9.071 0.501 2.923 1.00 1.00 N ATOM 0 H ARG A 16 7.643 -0.087 -4.076 1.00 1.00 H new ATOM 0 HA ARG A 16 7.830 -2.614 -2.847 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.170 0.166 -1.767 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.431 -1.221 -0.728 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.743 -1.449 -1.506 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.505 -0.211 -2.723 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.694 0.734 -0.793 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.120 1.488 -0.951 1.00 1.00 H new ATOM 0 HE ARG A 16 8.971 -0.781 0.834 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.105 2.583 0.778 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.894 2.751 2.524 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.732 -0.456 3.026 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.150 1.105 3.741 1.00 1.00 H new ATOM 234 N GLU A 17 4.800 -1.311 -2.875 1.00 1.00 N ATOM 235 CA GLU A 17 3.370 -1.601 -2.760 1.00 1.00 C ATOM 236 C GLU A 17 2.956 -2.788 -3.640 1.00 1.00 C ATOM 237 O GLU A 17 2.179 -3.624 -3.196 1.00 1.00 O ATOM 238 CB GLU A 17 2.591 -0.323 -3.104 1.00 1.00 C ATOM 239 CG GLU A 17 1.088 -0.401 -2.828 1.00 1.00 C ATOM 240 CD GLU A 17 0.415 0.930 -3.180 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.441 1.317 -4.372 1.00 1.00 O ATOM 242 OE2 GLU A 17 -0.117 1.578 -2.252 1.00 1.00 O ATOM 0 H GLU A 17 4.988 -0.384 -3.257 1.00 1.00 H new ATOM 0 HA GLU A 17 3.137 -1.901 -1.738 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.009 0.507 -2.534 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.742 -0.094 -4.159 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.645 -1.207 -3.413 1.00 1.00 H new ATOM 0 HG3 GLU A 17 0.916 -0.637 -1.778 1.00 1.00 H new ATOM 249 N ASP A 18 3.524 -2.939 -4.837 1.00 1.00 N ATOM 250 CA ASP A 18 3.275 -4.095 -5.706 1.00 1.00 C ATOM 251 C ASP A 18 3.758 -5.434 -5.110 1.00 1.00 C ATOM 252 O ASP A 18 3.224 -6.482 -5.470 1.00 1.00 O ATOM 253 CB ASP A 18 3.893 -3.842 -7.088 1.00 1.00 C ATOM 254 CG ASP A 18 3.422 -4.883 -8.107 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.191 -4.945 -8.335 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.284 -5.600 -8.667 1.00 1.00 O ATOM 0 H ASP A 18 4.173 -2.261 -5.235 1.00 1.00 H new ATOM 0 HA ASP A 18 2.194 -4.199 -5.801 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.622 -2.844 -7.433 1.00 1.00 H new ATOM 0 HB3 ASP A 18 4.980 -3.869 -7.013 1.00 1.00 H new ATOM 261 N ASP A 19 4.706 -5.434 -4.163 1.00 1.00 N ATOM 262 CA ASP A 19 5.056 -6.644 -3.399 1.00 1.00 C ATOM 263 C ASP A 19 3.892 -7.136 -2.510 1.00 1.00 C ATOM 264 O ASP A 19 3.746 -8.338 -2.280 1.00 1.00 O ATOM 265 CB ASP A 19 6.319 -6.405 -2.559 1.00 1.00 C ATOM 266 CG ASP A 19 6.841 -7.705 -1.936 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.441 -8.512 -2.684 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.642 -7.892 -0.712 1.00 1.00 O ATOM 0 H ASP A 19 5.247 -4.608 -3.906 1.00 1.00 H new ATOM 0 HA ASP A 19 5.258 -7.434 -4.123 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.095 -5.965 -3.186 1.00 1.00 H new ATOM 0 HB3 ASP A 19 6.100 -5.686 -1.770 1.00 1.00 H new ATOM 273 N LEU A 20 3.041 -6.219 -2.028 1.00 1.00 N ATOM 274 CA LEU A 20 1.857 -6.523 -1.212 1.00 1.00 C ATOM 275 C LEU A 20 0.777 -7.309 -1.984 1.00 1.00 C ATOM 276 O LEU A 20 -0.115 -7.889 -1.363 1.00 1.00 O ATOM 277 CB LEU A 20 1.258 -5.227 -0.627 1.00 1.00 C ATOM 278 CG LEU A 20 2.249 -4.280 0.071 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.542 -2.989 0.489 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.898 -4.913 1.303 1.00 1.00 C ATOM 0 H LEU A 20 3.160 -5.221 -2.199 1.00 1.00 H new ATOM 0 HA LEU A 20 2.196 -7.167 -0.401 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.770 -4.680 -1.434 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.482 -5.500 0.088 1.00 1.00 H new ATOM 0 HG LEU A 20 3.037 -4.065 -0.651 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.254 -2.327 0.982 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.137 -2.494 -0.394 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.730 -3.225 1.177 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.588 -4.202 1.757 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.126 -5.180 2.024 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.443 -5.809 1.007 1.00 1.00 H new ATOM 292 N ARG A 21 0.870 -7.381 -3.322 1.00 1.00 N ATOM 293 CA ARG A 21 -0.013 -8.192 -4.189 1.00 1.00 C ATOM 294 C ARG A 21 -0.048 -9.682 -3.795 1.00 1.00 C ATOM 295 O ARG A 21 -1.047 -10.367 -4.008 1.00 1.00 O ATOM 296 CB ARG A 21 0.415 -8.010 -5.658 1.00 1.00 C ATOM 297 CG ARG A 21 -0.682 -8.420 -6.653 1.00 1.00 C ATOM 298 CD ARG A 21 -0.170 -8.525 -8.093 1.00 1.00 C ATOM 299 NE ARG A 21 0.137 -7.204 -8.674 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.269 -6.741 -9.843 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.999 -7.438 -10.674 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.047 -5.531 -10.202 1.00 1.00 N ATOM 0 H ARG A 21 1.577 -6.866 -3.847 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.033 -7.832 -4.055 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.681 -6.967 -5.827 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.310 -8.602 -5.847 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.100 -9.380 -6.350 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.493 -7.692 -6.613 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.726 -9.146 -8.114 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.919 -9.025 -8.707 1.00 1.00 H new ATOM 0 HE ARG A 21 0.723 -6.584 -8.115 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.282 -8.387 -10.431 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.286 -7.032 -11.565 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.606 -4.945 -9.582 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.264 -5.169 -11.103 1.00 1.00 H new ATOM 316 N GLY A 22 1.019 -10.187 -3.172 1.00 1.00 N ATOM 317 CA GLY A 22 1.115 -11.567 -2.678 1.00 1.00 C ATOM 318 C GLY A 22 0.522 -11.804 -1.281 1.00 1.00 C ATOM 319 O GLY A 22 0.799 -12.848 -0.685 1.00 1.00 O ATOM 0 H GLY A 22 1.860 -9.638 -2.992 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.611 -12.225 -3.386 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.165 -11.859 -2.664 1.00 1.00 H new ATOM 323 N ARG A 23 -0.260 -10.857 -0.733 1.00 1.00 N ATOM 324 CA ARG A 23 -0.786 -10.885 0.645 1.00 1.00 C ATOM 325 C ARG A 23 -2.289 -10.601 0.723 1.00 1.00 C ATOM 326 O ARG A 23 -2.887 -9.995 -0.169 1.00 1.00 O ATOM 327 CB ARG A 23 -0.020 -9.881 1.521 1.00 1.00 C ATOM 328 CG ARG A 23 1.470 -10.227 1.640 1.00 1.00 C ATOM 329 CD ARG A 23 2.102 -9.327 2.700 1.00 1.00 C ATOM 330 NE ARG A 23 3.542 -9.597 2.881 1.00 1.00 N ATOM 331 CZ ARG A 23 4.527 -9.214 2.082 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.326 -8.563 0.970 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.768 -9.484 2.381 1.00 1.00 N ATOM 0 H ARG A 23 -0.552 -10.028 -1.250 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.637 -11.899 1.015 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.126 -8.881 1.100 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.465 -9.857 2.516 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.593 -11.275 1.913 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.968 -10.087 0.680 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.963 -8.284 2.416 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.586 -9.471 3.649 1.00 1.00 H new ATOM 0 HE ARG A 23 3.806 -10.134 3.707 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.376 -8.327 0.682 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.118 -8.290 0.389 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.987 -9.994 3.237 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.519 -9.185 1.759 1.00 1.00 H new ATOM 347 N LEU A 24 -2.884 -11.028 1.837 1.00 1.00 N ATOM 348 CA LEU A 24 -4.256 -10.691 2.221 1.00 1.00 C ATOM 349 C LEU A 24 -4.304 -9.289 2.861 1.00 1.00 C ATOM 350 O LEU A 24 -3.329 -8.797 3.435 1.00 1.00 O ATOM 351 CB LEU A 24 -4.798 -11.729 3.234 1.00 1.00 C ATOM 352 CG LEU A 24 -5.225 -13.122 2.730 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.312 -13.055 1.661 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.068 -13.961 2.186 1.00 1.00 C ATOM 0 H LEU A 24 -2.415 -11.631 2.513 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.874 -10.701 1.323 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.031 -11.876 3.994 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.659 -11.283 3.732 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.618 -13.610 3.622 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.573 -14.065 1.344 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.195 -12.564 2.070 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.946 -12.489 0.805 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.445 -14.927 1.850 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.604 -13.441 1.347 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.328 -14.114 2.972 1.00 1.00 H new ATOM 366 N GLY A 25 -5.489 -8.696 2.830 1.00 1.00 N ATOM 367 CA GLY A 25 -5.852 -7.435 3.465 1.00 1.00 C ATOM 368 C GLY A 25 -7.237 -7.477 4.117 1.00 1.00 C ATOM 369 O GLY A 25 -7.889 -8.522 4.177 1.00 1.00 O ATOM 0 H GLY A 25 -6.275 -9.109 2.328 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.107 -7.186 4.221 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.830 -6.639 2.721 1.00 1.00 H new ATOM 373 N LYS A 26 -7.682 -6.322 4.608 1.00 1.00 N ATOM 374 CA LYS A 26 -8.860 -6.115 5.455 1.00 1.00 C ATOM 375 C LYS A 26 -9.516 -4.785 5.104 1.00 1.00 C ATOM 376 O LYS A 26 -8.889 -3.734 5.228 1.00 1.00 O ATOM 377 CB LYS A 26 -8.364 -6.156 6.909 1.00 1.00 C ATOM 378 CG LYS A 26 -9.422 -5.881 7.990 1.00 1.00 C ATOM 379 CD LYS A 26 -10.670 -6.776 7.913 1.00 1.00 C ATOM 380 CE LYS A 26 -10.375 -8.283 7.822 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.589 -8.776 8.972 1.00 1.00 N ATOM 0 H LYS A 26 -7.198 -5.446 4.413 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.619 -6.883 5.305 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.929 -7.138 7.096 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.562 -5.426 7.019 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -8.961 -6.007 8.970 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.734 -4.839 7.916 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.287 -6.593 8.793 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.259 -6.482 7.044 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.315 -8.831 7.767 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.832 -8.489 6.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.879 -9.749 9.199 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.577 -8.764 8.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -9.757 -8.163 9.795 1.00 1.00 H new ATOM 395 N VAL A 27 -10.747 -4.839 4.599 1.00 1.00 N ATOM 396 CA VAL A 27 -11.518 -3.655 4.163 1.00 1.00 C ATOM 397 C VAL A 27 -12.020 -2.848 5.366 1.00 1.00 C ATOM 398 O VAL A 27 -12.564 -3.410 6.319 1.00 1.00 O ATOM 399 CB VAL A 27 -12.668 -4.057 3.211 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.569 -2.887 2.802 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.037 -4.619 1.936 1.00 1.00 C ATOM 0 H VAL A 27 -11.253 -5.716 4.475 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.849 -3.005 3.599 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.291 -4.776 3.742 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.352 -3.247 2.134 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.023 -2.449 3.691 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.974 -2.131 2.289 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.823 -4.913 1.240 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.410 -3.857 1.474 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.428 -5.488 2.184 1.00 1.00 H new ATOM 411 N ILE A 28 -11.854 -1.524 5.299 1.00 1.00 N ATOM 412 CA ILE A 28 -12.138 -0.557 6.383 1.00 1.00 C ATOM 413 C ILE A 28 -13.085 0.582 5.950 1.00 1.00 C ATOM 414 O ILE A 28 -13.627 1.298 6.793 1.00 1.00 O ATOM 415 CB ILE A 28 -10.826 0.015 6.966 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.107 0.920 5.931 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.977 -1.130 7.550 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.580 0.861 5.893 1.00 1.00 C ATOM 0 H ILE A 28 -11.504 -1.070 4.456 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.661 -1.114 7.161 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.034 0.682 7.803 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.480 0.662 4.940 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.401 1.952 6.123 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.052 -0.724 7.961 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.536 -1.631 8.340 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.741 -1.846 6.763 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.209 1.541 5.126 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.180 1.155 6.864 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.261 -0.155 5.662 1.00 1.00 H new ATOM 430 N THR A 29 -13.327 0.715 4.644 1.00 1.00 N ATOM 431 CA THR A 29 -14.354 1.575 4.029 1.00 1.00 C ATOM 432 C THR A 29 -14.914 0.786 2.850 1.00 1.00 C ATOM 433 O THR A 29 -14.135 0.270 2.051 1.00 1.00 O ATOM 434 CB THR A 29 -13.781 2.921 3.548 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.154 3.619 4.604 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.844 3.844 2.952 1.00 1.00 C ATOM 0 H THR A 29 -12.787 0.202 3.947 1.00 1.00 H new ATOM 0 HA THR A 29 -15.123 1.823 4.761 1.00 1.00 H new ATOM 0 HB THR A 29 -13.060 2.662 2.773 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.798 4.469 4.269 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.378 4.776 2.632 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.309 3.357 2.095 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.603 4.058 3.704 1.00 1.00 H new ATOM 444 N ALA A 30 -16.238 0.645 2.767 1.00 1.00 N ATOM 445 CA ALA A 30 -16.907 -0.257 1.828 1.00 1.00 C ATOM 446 C ALA A 30 -16.514 -0.015 0.358 1.00 1.00 C ATOM 447 O ALA A 30 -16.451 1.124 -0.108 1.00 1.00 O ATOM 448 CB ALA A 30 -18.422 -0.148 2.034 1.00 1.00 C ATOM 0 H ALA A 30 -16.886 1.163 3.360 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.575 -1.273 2.042 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.933 -0.816 1.340 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.671 -0.429 3.057 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.741 0.878 1.852 1.00 1.00 H new ATOM 454 N VAL A 31 -16.302 -1.109 -0.375 1.00 1.00 N ATOM 455 CA VAL A 31 -15.840 -1.152 -1.770 1.00 1.00 C ATOM 456 C VAL A 31 -16.943 -1.803 -2.621 1.00 1.00 C ATOM 457 O VAL A 31 -17.063 -3.031 -2.620 1.00 1.00 O ATOM 458 CB VAL A 31 -14.519 -1.945 -1.892 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.991 -1.895 -3.325 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.395 -1.442 -0.980 1.00 1.00 C ATOM 0 H VAL A 31 -16.456 -2.042 0.007 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.643 -0.140 -2.123 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.779 -2.958 -1.586 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.061 -2.459 -3.390 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.728 -2.331 -4.000 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.808 -0.859 -3.609 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.505 -2.053 -1.129 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.167 -0.404 -1.222 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.713 -1.510 0.060 1.00 1.00 H new ATOM 470 N PRO A 32 -17.816 -1.030 -3.290 1.00 1.00 N ATOM 471 CA PRO A 32 -18.904 -1.588 -4.090 1.00 1.00 C ATOM 472 C PRO A 32 -18.431 -2.119 -5.454 1.00 1.00 C ATOM 473 O PRO A 32 -17.274 -1.959 -5.849 1.00 1.00 O ATOM 474 CB PRO A 32 -19.925 -0.454 -4.212 1.00 1.00 C ATOM 475 CG PRO A 32 -19.036 0.776 -4.234 1.00 1.00 C ATOM 476 CD PRO A 32 -17.900 0.423 -3.273 1.00 1.00 C ATOM 0 HA PRO A 32 -19.340 -2.468 -3.616 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.523 -0.540 -5.119 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.620 -0.439 -3.372 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.662 0.981 -5.237 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.575 1.665 -3.907 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.961 0.874 -3.592 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.106 0.793 -2.269 1.00 1.00 H new ATOM 484 N VAL A 33 -19.361 -2.743 -6.184 1.00 1.00 N ATOM 485 CA VAL A 33 -19.120 -3.517 -7.419 1.00 1.00 C ATOM 486 C VAL A 33 -18.381 -2.765 -8.536 1.00 1.00 C ATOM 487 O VAL A 33 -17.694 -3.387 -9.345 1.00 1.00 O ATOM 488 CB VAL A 33 -20.443 -4.101 -7.972 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.231 -4.872 -6.906 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.391 -3.039 -8.548 1.00 1.00 C ATOM 0 H VAL A 33 -20.347 -2.725 -5.924 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.447 -4.316 -7.107 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.117 -4.768 -8.770 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.150 -5.261 -7.344 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.627 -5.700 -6.535 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.477 -4.204 -6.081 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.296 -3.521 -8.917 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.652 -2.323 -7.768 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.898 -2.518 -9.368 1.00 1.00 H new ATOM 500 N ASP A 34 -18.509 -1.440 -8.586 1.00 1.00 N ATOM 501 CA ASP A 34 -17.916 -0.564 -9.607 1.00 1.00 C ATOM 502 C ASP A 34 -17.443 0.771 -8.986 1.00 1.00 C ATOM 503 O ASP A 34 -17.499 1.828 -9.619 1.00 1.00 O ATOM 504 CB ASP A 34 -18.942 -0.383 -10.745 1.00 1.00 C ATOM 505 CG ASP A 34 -18.369 0.334 -11.977 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.257 -0.045 -12.416 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.061 1.238 -12.507 1.00 1.00 O ATOM 0 H ASP A 34 -19.049 -0.923 -7.892 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.019 -1.017 -10.029 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.316 -1.362 -11.045 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.794 0.183 -10.369 1.00 1.00 H new ATOM 512 N GLY A 35 -17.019 0.727 -7.717 1.00 1.00 N ATOM 513 CA GLY A 35 -16.655 1.905 -6.917 1.00 1.00 C ATOM 514 C GLY A 35 -15.413 1.711 -6.041 1.00 1.00 C ATOM 515 O GLY A 35 -14.640 0.767 -6.226 1.00 1.00 O ATOM 0 H GLY A 35 -16.917 -0.149 -7.205 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.485 2.747 -7.588 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.498 2.171 -6.279 1.00 1.00 H new ATOM 519 N PHE A 36 -15.237 2.619 -5.076 1.00 1.00 N ATOM 520 CA PHE A 36 -14.022 2.756 -4.266 1.00 1.00 C ATOM 521 C PHE A 36 -14.330 2.778 -2.760 1.00 1.00 C ATOM 522 O PHE A 36 -15.336 3.338 -2.319 1.00 1.00 O ATOM 523 CB PHE A 36 -13.265 4.048 -4.626 1.00 1.00 C ATOM 524 CG PHE A 36 -12.915 4.259 -6.088 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.897 4.702 -6.997 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.594 4.064 -6.537 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.573 4.902 -8.350 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.266 4.275 -7.889 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.258 4.687 -8.798 1.00 1.00 C ATOM 0 H PHE A 36 -15.957 3.299 -4.830 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.406 1.885 -4.488 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.866 4.895 -4.296 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.340 4.070 -4.050 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.903 4.889 -6.652 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.830 3.751 -5.841 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.335 5.221 -9.046 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.253 4.121 -8.229 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.009 4.838 -9.838 1.00 1.00 H new ATOM 539 N GLY A 37 -13.413 2.205 -1.985 1.00 1.00 N ATOM 540 CA GLY A 37 -13.355 2.237 -0.523 1.00 1.00 C ATOM 541 C GLY A 37 -11.898 2.170 -0.060 1.00 1.00 C ATOM 542 O GLY A 37 -11.020 2.737 -0.709 1.00 1.00 O ATOM 0 H GLY A 37 -12.641 1.672 -2.385 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.823 3.149 -0.151 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.916 1.399 -0.109 1.00 1.00 H new ATOM 546 N GLU A 38 -11.617 1.487 1.049 1.00 1.00 N ATOM 547 CA GLU A 38 -10.274 1.419 1.649 1.00 1.00 C ATOM 548 C GLU A 38 -9.967 0.049 2.264 1.00 1.00 C ATOM 549 O GLU A 38 -10.862 -0.668 2.715 1.00 1.00 O ATOM 550 CB GLU A 38 -10.107 2.493 2.740 1.00 1.00 C ATOM 551 CG GLU A 38 -9.986 3.927 2.213 1.00 1.00 C ATOM 552 CD GLU A 38 -9.824 4.942 3.353 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.888 4.771 4.172 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.614 5.916 3.394 1.00 1.00 O ATOM 0 H GLU A 38 -12.319 0.958 1.566 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.573 1.594 0.833 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.960 2.440 3.417 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.219 2.260 3.327 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.131 3.996 1.541 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.872 4.175 1.628 1.00 1.00 H new ATOM 561 N VAL A 39 -8.675 -0.275 2.340 1.00 1.00 N ATOM 562 CA VAL A 39 -8.121 -1.556 2.803 1.00 1.00 C ATOM 563 C VAL A 39 -6.793 -1.354 3.548 1.00 1.00 C ATOM 564 O VAL A 39 -6.097 -0.360 3.338 1.00 1.00 O ATOM 565 CB VAL A 39 -7.949 -2.487 1.580 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.755 -2.099 0.697 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.816 -3.963 1.956 1.00 1.00 C ATOM 0 H VAL A 39 -7.945 0.382 2.066 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.808 -2.015 3.514 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.871 -2.352 1.015 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.686 -2.788 -0.145 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.893 -1.084 0.324 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.837 -2.149 1.283 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.699 -4.560 1.051 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.944 -4.098 2.596 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.711 -4.285 2.489 1.00 1.00 H new ATOM 577 N VAL A 40 -6.418 -2.322 4.383 1.00 1.00 N ATOM 578 CA VAL A 40 -5.098 -2.459 5.042 1.00 1.00 C ATOM 579 C VAL A 40 -4.577 -3.875 4.791 1.00 1.00 C ATOM 580 O VAL A 40 -5.379 -4.802 4.770 1.00 1.00 O ATOM 581 CB VAL A 40 -5.154 -2.259 6.577 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.802 -1.759 7.095 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.215 -1.272 7.053 1.00 1.00 C ATOM 0 H VAL A 40 -7.053 -3.078 4.639 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.454 -1.686 4.622 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.414 -3.241 6.973 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.854 -1.622 8.175 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.029 -2.490 6.859 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.560 -0.808 6.620 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.180 -1.196 8.140 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.023 -0.293 6.615 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.201 -1.621 6.745 1.00 1.00 H new ATOM 593 N ILE A 41 -3.268 -4.085 4.633 1.00 1.00 N ATOM 594 CA ILE A 41 -2.693 -5.447 4.595 1.00 1.00 C ATOM 595 C ILE A 41 -2.747 -6.069 5.999 1.00 1.00 C ATOM 596 O ILE A 41 -2.652 -5.364 7.004 1.00 1.00 O ATOM 597 CB ILE A 41 -1.258 -5.403 4.029 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.241 -4.902 2.574 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.502 -6.744 4.109 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.019 -5.729 1.544 1.00 1.00 C ATOM 0 H ILE A 41 -2.582 -3.337 4.529 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.281 -6.080 3.930 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.732 -4.700 4.675 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.636 -3.886 2.561 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.203 -4.844 2.248 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.497 -6.624 3.690 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.424 -7.056 5.150 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.044 -7.502 3.543 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.925 -5.267 0.561 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.615 -6.741 1.510 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.071 -5.768 1.828 1.00 1.00 H new ATOM 612 N GLU A 42 -2.898 -7.394 6.074 1.00 1.00 N ATOM 613 CA GLU A 42 -3.183 -8.149 7.315 1.00 1.00 C ATOM 614 C GLU A 42 -2.142 -8.026 8.452 1.00 1.00 C ATOM 615 O GLU A 42 -2.448 -8.378 9.593 1.00 1.00 O ATOM 616 CB GLU A 42 -3.439 -9.631 6.972 1.00 1.00 C ATOM 617 CG GLU A 42 -4.878 -9.904 6.511 1.00 1.00 C ATOM 618 CD GLU A 42 -5.865 -9.943 7.687 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.320 -8.856 8.112 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.158 -11.062 8.170 1.00 1.00 O ATOM 0 H GLU A 42 -2.825 -7.996 5.254 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.074 -7.677 7.729 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.748 -9.941 6.188 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.222 -10.243 7.848 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.185 -9.131 5.806 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.913 -10.854 5.977 1.00 1.00 H new ATOM 627 N GLY A 43 -0.952 -7.476 8.195 1.00 1.00 N ATOM 628 CA GLY A 43 0.054 -7.099 9.206 1.00 1.00 C ATOM 629 C GLY A 43 -0.309 -5.844 10.013 1.00 1.00 C ATOM 630 O GLY A 43 0.560 -5.010 10.260 1.00 1.00 O ATOM 0 H GLY A 43 -0.646 -7.271 7.244 1.00 1.00 H new ATOM 0 HA2 GLY A 43 0.192 -7.933 9.894 1.00 1.00 H new ATOM 0 HA3 GLY A 43 1.010 -6.934 8.708 1.00 1.00 H new ATOM 634 N ILE A 44 -1.583 -5.697 10.400 1.00 1.00 N ATOM 635 CA ILE A 44 -2.212 -4.499 10.995 1.00 1.00 C ATOM 636 C ILE A 44 -1.466 -3.826 12.165 1.00 1.00 C ATOM 637 O ILE A 44 -1.670 -2.636 12.416 1.00 1.00 O ATOM 638 CB ILE A 44 -3.717 -4.727 11.282 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.086 -5.997 12.082 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.485 -4.777 9.947 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.483 -6.084 13.487 1.00 1.00 C ATOM 0 H ILE A 44 -2.251 -6.461 10.301 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.122 -3.746 10.212 1.00 1.00 H new ATOM 0 HB ILE A 44 -3.996 -3.886 11.917 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.171 -6.051 12.166 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.767 -6.870 11.513 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.545 -4.937 10.143 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.353 -3.835 9.416 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.101 -5.595 9.337 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -3.802 -7.011 13.963 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -2.395 -6.068 13.418 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.821 -5.235 14.081 1.00 1.00 H new ATOM 653 N GLY A 45 -0.587 -4.548 12.870 1.00 1.00 N ATOM 654 CA GLY A 45 0.330 -3.991 13.873 1.00 1.00 C ATOM 655 C GLY A 45 1.396 -3.025 13.319 1.00 1.00 C ATOM 656 O GLY A 45 1.981 -2.266 14.096 1.00 1.00 O ATOM 0 H GLY A 45 -0.491 -5.557 12.757 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.256 -3.466 14.627 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.835 -4.814 14.378 1.00 1.00 H new ATOM 660 N GLY A 46 1.645 -3.020 11.999 1.00 1.00 N ATOM 661 CA GLY A 46 2.639 -2.145 11.351 1.00 1.00 C ATOM 662 C GLY A 46 2.380 -1.756 9.884 1.00 1.00 C ATOM 663 O GLY A 46 3.075 -0.876 9.368 1.00 1.00 O ATOM 0 H GLY A 46 1.157 -3.630 11.343 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.715 -1.228 11.936 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.610 -2.638 11.404 1.00 1.00 H new ATOM 667 N THR A 47 1.407 -2.364 9.197 1.00 1.00 N ATOM 668 CA THR A 47 0.982 -1.989 7.830 1.00 1.00 C ATOM 669 C THR A 47 0.225 -0.646 7.778 1.00 1.00 C ATOM 670 O THR A 47 -0.092 -0.045 8.809 1.00 1.00 O ATOM 671 CB THR A 47 0.127 -3.106 7.205 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.931 -3.439 8.067 1.00 1.00 O ATOM 673 CG2 THR A 47 0.956 -4.362 6.934 1.00 1.00 C ATOM 0 H THR A 47 0.877 -3.148 9.578 1.00 1.00 H new ATOM 0 HA THR A 47 1.894 -1.859 7.248 1.00 1.00 H new ATOM 0 HB THR A 47 -0.260 -2.732 6.257 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.499 -4.114 7.641 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.320 -5.130 6.493 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.766 -4.122 6.245 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.374 -4.731 7.871 1.00 1.00 H new ATOM 681 N ILE A 48 -0.057 -0.155 6.562 1.00 1.00 N ATOM 682 CA ILE A 48 -0.624 1.179 6.282 1.00 1.00 C ATOM 683 C ILE A 48 -1.841 1.040 5.350 1.00 1.00 C ATOM 684 O ILE A 48 -1.826 0.238 4.412 1.00 1.00 O ATOM 685 CB ILE A 48 0.475 2.098 5.678 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.636 2.299 6.686 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.101 3.461 5.246 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.824 3.113 6.153 1.00 1.00 C ATOM 0 H ILE A 48 0.109 -0.694 5.712 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.969 1.642 7.206 1.00 1.00 H new ATOM 0 HB ILE A 48 0.864 1.602 4.789 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.244 2.795 7.574 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.998 1.320 7.001 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.696 4.077 4.829 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.873 3.307 4.492 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.533 3.964 6.111 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.584 3.199 6.930 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.249 2.610 5.284 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.484 4.108 5.866 1.00 1.00 H new ATOM 700 N SER A 49 -2.907 1.803 5.615 1.00 1.00 N ATOM 701 CA SER A 49 -4.143 1.818 4.817 1.00 1.00 C ATOM 702 C SER A 49 -3.976 2.487 3.443 1.00 1.00 C ATOM 703 O SER A 49 -3.188 3.423 3.283 1.00 1.00 O ATOM 704 CB SER A 49 -5.269 2.521 5.589 1.00 1.00 C ATOM 705 OG SER A 49 -4.848 3.782 6.093 1.00 1.00 O ATOM 0 H SER A 49 -2.937 2.443 6.409 1.00 1.00 H new ATOM 0 HA SER A 49 -4.398 0.773 4.638 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.129 2.659 4.934 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.595 1.889 6.415 1.00 1.00 H new ATOM 0 HG SER A 49 -5.588 4.204 6.578 1.00 1.00 H new ATOM 711 N LYS A 50 -4.755 2.030 2.453 1.00 1.00 N ATOM 712 CA LYS A 50 -4.777 2.512 1.056 1.00 1.00 C ATOM 713 C LYS A 50 -6.204 2.505 0.490 1.00 1.00 C ATOM 714 O LYS A 50 -7.081 1.824 1.026 1.00 1.00 O ATOM 715 CB LYS A 50 -3.888 1.605 0.176 1.00 1.00 C ATOM 716 CG LYS A 50 -2.407 1.496 0.582 1.00 1.00 C ATOM 717 CD LYS A 50 -1.631 2.808 0.404 1.00 1.00 C ATOM 718 CE LYS A 50 -0.179 2.611 0.843 1.00 1.00 C ATOM 719 NZ LYS A 50 0.609 3.848 0.662 1.00 1.00 N ATOM 0 H LYS A 50 -5.423 1.275 2.608 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.399 3.534 1.048 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.317 0.603 0.176 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.935 1.972 -0.849 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.345 1.184 1.625 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.931 0.717 -0.013 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.666 3.124 -0.639 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.095 3.599 0.993 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.151 2.309 1.890 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.271 1.803 0.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.589 3.683 0.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.601 4.121 -0.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.192 4.612 1.232 1.00 1.00 H new ATOM 733 N SER A 51 -6.433 3.229 -0.609 1.00 1.00 N ATOM 734 CA SER A 51 -7.684 3.140 -1.381 1.00 1.00 C ATOM 735 C SER A 51 -7.808 1.768 -2.054 1.00 1.00 C ATOM 736 O SER A 51 -6.799 1.133 -2.380 1.00 1.00 O ATOM 737 CB SER A 51 -7.741 4.257 -2.428 1.00 1.00 C ATOM 738 OG SER A 51 -9.019 4.309 -3.039 1.00 1.00 O ATOM 0 H SER A 51 -5.760 3.893 -0.991 1.00 1.00 H new ATOM 0 HA SER A 51 -8.523 3.261 -0.695 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.519 5.215 -1.957 1.00 1.00 H new ATOM 0 HB3 SER A 51 -6.977 4.090 -3.187 1.00 1.00 H new ATOM 0 HG SER A 51 -9.035 5.030 -3.703 1.00 1.00 H new ATOM 744 N ALA A 52 -9.041 1.309 -2.263 1.00 1.00 N ATOM 745 CA ALA A 52 -9.336 -0.021 -2.798 1.00 1.00 C ATOM 746 C ALA A 52 -10.529 -0.040 -3.772 1.00 1.00 C ATOM 747 O ALA A 52 -11.505 0.686 -3.575 1.00 1.00 O ATOM 748 CB ALA A 52 -9.580 -0.969 -1.619 1.00 1.00 C ATOM 0 H ALA A 52 -9.877 1.859 -2.063 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.478 -0.346 -3.387 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.802 -1.968 -1.995 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.689 -1.007 -0.992 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.423 -0.607 -1.030 1.00 1.00 H new ATOM 754 N VAL A 53 -10.473 -0.924 -4.776 1.00 1.00 N ATOM 755 CA VAL A 53 -11.543 -1.205 -5.761 1.00 1.00 C ATOM 756 C VAL A 53 -11.838 -2.708 -5.870 1.00 1.00 C ATOM 757 O VAL A 53 -10.964 -3.536 -5.602 1.00 1.00 O ATOM 758 CB VAL A 53 -11.215 -0.643 -7.161 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.058 0.878 -7.124 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.961 -1.249 -7.807 1.00 1.00 C ATOM 0 H VAL A 53 -9.643 -1.494 -4.938 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.432 -0.696 -5.387 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.068 -0.927 -7.777 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.827 1.244 -8.124 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.986 1.331 -6.777 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.248 1.144 -6.445 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.803 -0.799 -8.787 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.095 -1.054 -7.174 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.093 -2.325 -7.919 1.00 1.00 H new ATOM 770 N SER A 54 -13.058 -3.081 -6.275 1.00 1.00 N ATOM 771 CA SER A 54 -13.457 -4.483 -6.445 1.00 1.00 C ATOM 772 C SER A 54 -12.979 -5.039 -7.788 1.00 1.00 C ATOM 773 O SER A 54 -13.493 -4.671 -8.848 1.00 1.00 O ATOM 774 CB SER A 54 -14.973 -4.617 -6.323 1.00 1.00 C ATOM 775 OG SER A 54 -15.312 -5.988 -6.312 1.00 1.00 O ATOM 0 H SER A 54 -13.799 -2.416 -6.495 1.00 1.00 H new ATOM 0 HA SER A 54 -12.984 -5.067 -5.655 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.322 -4.135 -5.410 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.464 -4.114 -7.156 1.00 1.00 H new ATOM 0 HG SER A 54 -15.975 -6.155 -5.610 1.00 1.00 H new ATOM 781 N PHE A 55 -11.987 -5.932 -7.755 1.00 1.00 N ATOM 782 CA PHE A 55 -11.488 -6.633 -8.945 1.00 1.00 C ATOM 783 C PHE A 55 -12.523 -7.607 -9.533 1.00 1.00 C ATOM 784 O PHE A 55 -12.602 -7.790 -10.749 1.00 1.00 O ATOM 785 CB PHE A 55 -10.213 -7.389 -8.567 1.00 1.00 C ATOM 786 CG PHE A 55 -9.490 -8.028 -9.742 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.557 -7.282 -10.489 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.730 -9.375 -10.076 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.862 -7.883 -11.555 1.00 1.00 C ATOM 790 CE2 PHE A 55 -9.035 -9.975 -11.141 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.099 -9.230 -11.880 1.00 1.00 C ATOM 0 H PHE A 55 -11.502 -6.192 -6.896 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.283 -5.890 -9.716 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.531 -6.700 -8.068 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.466 -8.166 -7.846 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.375 -6.246 -10.243 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.450 -9.949 -9.512 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.146 -7.309 -12.124 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.220 -11.009 -11.392 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.563 -9.692 -12.696 1.00 1.00 H new ATOM 801 N ASP A 56 -13.334 -8.224 -8.668 1.00 1.00 N ATOM 802 CA ASP A 56 -14.279 -9.292 -9.020 1.00 1.00 C ATOM 803 C ASP A 56 -15.695 -8.775 -9.357 1.00 1.00 C ATOM 804 O ASP A 56 -16.603 -9.577 -9.576 1.00 1.00 O ATOM 805 CB ASP A 56 -14.289 -10.305 -7.864 1.00 1.00 C ATOM 806 CG ASP A 56 -15.002 -11.619 -8.210 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.598 -12.259 -9.212 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.924 -12.009 -7.456 1.00 1.00 O ATOM 0 H ASP A 56 -13.353 -7.989 -7.676 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.946 -9.771 -9.941 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.261 -10.524 -7.574 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.775 -9.853 -6.999 1.00 1.00 H new ATOM 813 N ASN A 57 -15.892 -7.449 -9.408 1.00 1.00 N ATOM 814 CA ASN A 57 -17.190 -6.791 -9.612 1.00 1.00 C ATOM 815 C ASN A 57 -18.251 -7.262 -8.586 1.00 1.00 C ATOM 816 O ASN A 57 -19.373 -7.639 -8.931 1.00 1.00 O ATOM 817 CB ASN A 57 -17.572 -6.907 -11.107 1.00 1.00 C ATOM 818 CG ASN A 57 -18.877 -6.234 -11.507 1.00 1.00 C ATOM 819 OD1 ASN A 57 -19.783 -6.852 -12.051 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.017 -4.943 -11.306 1.00 1.00 N ATOM 0 H ASN A 57 -15.126 -6.784 -9.305 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.128 -5.724 -9.399 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -16.766 -6.480 -11.704 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -17.635 -7.964 -11.366 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -19.871 -4.470 -11.602 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -18.272 -4.413 -10.854 1.00 1.00 H new ATOM 827 N GLN A 58 -17.868 -7.262 -7.304 1.00 1.00 N ATOM 828 CA GLN A 58 -18.687 -7.680 -6.150 1.00 1.00 C ATOM 829 C GLN A 58 -18.555 -6.684 -4.983 1.00 1.00 C ATOM 830 O GLN A 58 -17.562 -5.965 -4.880 1.00 1.00 O ATOM 831 CB GLN A 58 -18.280 -9.094 -5.693 1.00 1.00 C ATOM 832 CG GLN A 58 -18.697 -10.216 -6.658 1.00 1.00 C ATOM 833 CD GLN A 58 -20.211 -10.400 -6.757 1.00 1.00 C ATOM 834 OE1 GLN A 58 -20.829 -11.122 -5.985 1.00 1.00 O ATOM 835 NE2 GLN A 58 -20.873 -9.757 -7.697 1.00 1.00 N ATOM 0 H GLN A 58 -16.935 -6.957 -7.025 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.731 -7.694 -6.464 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -17.198 -9.124 -5.565 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.722 -9.288 -4.716 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.299 -9.999 -7.649 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -18.245 -11.153 -6.331 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -20.374 -9.151 -8.349 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -21.884 -9.865 -7.773 1.00 1.00 H new ATOM 844 N GLN A 59 -19.564 -6.615 -4.114 1.00 1.00 N ATOM 845 CA GLN A 59 -19.622 -5.632 -3.024 1.00 1.00 C ATOM 846 C GLN A 59 -18.851 -6.153 -1.797 1.00 1.00 C ATOM 847 O GLN A 59 -19.004 -7.315 -1.410 1.00 1.00 O ATOM 848 CB GLN A 59 -21.099 -5.341 -2.692 1.00 1.00 C ATOM 849 CG GLN A 59 -21.318 -3.950 -2.067 1.00 1.00 C ATOM 850 CD GLN A 59 -22.722 -3.771 -1.482 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.707 -4.345 -1.932 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.877 -2.963 -0.454 1.00 1.00 N ATOM 0 H GLN A 59 -20.369 -7.241 -4.144 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.147 -4.701 -3.331 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.692 -5.420 -3.603 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.467 -6.103 -2.005 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.580 -3.791 -1.281 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.146 -3.186 -2.825 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.071 -2.475 -0.063 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.803 -2.825 -0.049 1.00 1.00 H new ATOM 861 N ILE A 60 -18.036 -5.297 -1.175 1.00 1.00 N ATOM 862 CA ILE A 60 -17.113 -5.657 -0.086 1.00 1.00 C ATOM 863 C ILE A 60 -17.298 -4.680 1.080 1.00 1.00 C ATOM 864 O ILE A 60 -16.847 -3.535 1.034 1.00 1.00 O ATOM 865 CB ILE A 60 -15.637 -5.724 -0.561 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.453 -6.202 -2.025 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.901 -6.645 0.416 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.000 -6.221 -2.517 1.00 1.00 C ATOM 0 H ILE A 60 -17.996 -4.307 -1.419 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.357 -6.663 0.256 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.227 -4.714 -0.561 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.867 -7.206 -2.120 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.035 -5.554 -2.680 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.854 -6.724 0.123 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.965 -6.233 1.423 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.359 -7.634 0.399 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.970 -6.568 -3.550 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.583 -5.215 -2.460 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.413 -6.893 -1.891 1.00 1.00 H new ATOM 880 N SER A 61 -18.029 -5.114 2.105 1.00 1.00 N ATOM 881 CA SER A 61 -18.315 -4.341 3.319 1.00 1.00 C ATOM 882 C SER A 61 -17.109 -4.224 4.268 1.00 1.00 C ATOM 883 O SER A 61 -16.094 -4.913 4.124 1.00 1.00 O ATOM 884 CB SER A 61 -19.511 -4.979 4.044 1.00 1.00 C ATOM 885 OG SER A 61 -19.281 -6.359 4.297 1.00 1.00 O ATOM 0 H SER A 61 -18.453 -6.042 2.117 1.00 1.00 H new ATOM 0 HA SER A 61 -18.551 -3.322 3.012 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.689 -4.459 4.985 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.411 -4.862 3.440 1.00 1.00 H new ATOM 0 HG SER A 61 -20.056 -6.740 4.760 1.00 1.00 H new ATOM 891 N TYR A 62 -17.232 -3.345 5.269 1.00 1.00 N ATOM 892 CA TYR A 62 -16.298 -3.221 6.394 1.00 1.00 C ATOM 893 C TYR A 62 -16.048 -4.565 7.106 1.00 1.00 C ATOM 894 O TYR A 62 -16.980 -5.341 7.341 1.00 1.00 O ATOM 895 CB TYR A 62 -16.877 -2.197 7.389 1.00 1.00 C ATOM 896 CG TYR A 62 -16.122 -2.083 8.703 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.057 -1.172 8.825 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.471 -2.898 9.799 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.328 -1.082 10.025 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.745 -2.815 11.003 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.668 -1.909 11.120 1.00 1.00 C ATOM 902 OH TYR A 62 -13.972 -1.834 12.287 1.00 1.00 O ATOM 0 H TYR A 62 -18.005 -2.682 5.320 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.334 -2.890 6.007 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.894 -1.218 6.911 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.911 -2.466 7.603 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.797 -0.537 7.991 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.298 -3.588 9.715 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.510 -0.382 10.109 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.012 -3.445 11.838 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.343 -2.473 12.931 1.00 1.00 H new ATOM 912 N GLY A 63 -14.798 -4.814 7.507 1.00 1.00 N ATOM 913 CA GLY A 63 -14.439 -5.928 8.385 1.00 1.00 C ATOM 914 C GLY A 63 -14.399 -7.311 7.725 1.00 1.00 C ATOM 915 O GLY A 63 -14.701 -8.298 8.399 1.00 1.00 O ATOM 0 H GLY A 63 -14.001 -4.242 7.228 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.459 -5.724 8.817 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.151 -5.960 9.210 1.00 1.00 H new ATOM 919 N THR A 64 -14.019 -7.412 6.443 1.00 1.00 N ATOM 920 CA THR A 64 -13.831 -8.710 5.758 1.00 1.00 C ATOM 921 C THR A 64 -12.434 -8.851 5.159 1.00 1.00 C ATOM 922 O THR A 64 -11.774 -7.855 4.845 1.00 1.00 O ATOM 923 CB THR A 64 -14.920 -8.966 4.705 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.016 -10.358 4.489 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.661 -8.309 3.355 1.00 1.00 C ATOM 0 H THR A 64 -13.833 -6.603 5.850 1.00 1.00 H new ATOM 0 HA THR A 64 -13.930 -9.480 6.523 1.00 1.00 H new ATOM 0 HB THR A 64 -15.835 -8.528 5.104 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.709 -10.538 3.820 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.479 -8.542 2.674 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.592 -7.229 3.483 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.726 -8.685 2.941 1.00 1.00 H new ATOM 933 N THR A 65 -11.980 -10.095 5.017 1.00 1.00 N ATOM 934 CA THR A 65 -10.626 -10.434 4.556 1.00 1.00 C ATOM 935 C THR A 65 -10.622 -10.629 3.043 1.00 1.00 C ATOM 936 O THR A 65 -11.408 -11.399 2.486 1.00 1.00 O ATOM 937 CB THR A 65 -10.073 -11.675 5.272 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.112 -11.460 6.667 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.618 -11.964 4.898 1.00 1.00 C ATOM 0 H THR A 65 -12.551 -10.915 5.222 1.00 1.00 H new ATOM 0 HA THR A 65 -9.967 -9.602 4.806 1.00 1.00 H new ATOM 0 HB THR A 65 -10.690 -12.520 4.968 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.762 -12.250 7.130 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.275 -12.851 5.431 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.546 -12.135 3.824 1.00 1.00 H new ATOM 0 HG23 THR A 65 -7.996 -11.112 5.172 1.00 1.00 H new ATOM 947 N VAL A 66 -9.700 -9.940 2.379 1.00 1.00 N ATOM 948 CA VAL A 66 -9.632 -9.793 0.920 1.00 1.00 C ATOM 949 C VAL A 66 -8.237 -10.131 0.403 1.00 1.00 C ATOM 950 O VAL A 66 -7.249 -9.854 1.071 1.00 1.00 O ATOM 951 CB VAL A 66 -10.016 -8.358 0.500 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.486 -8.039 0.786 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.187 -7.258 1.185 1.00 1.00 C ATOM 0 H VAL A 66 -8.946 -9.447 2.858 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.344 -10.492 0.480 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.812 -8.351 -0.571 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.705 -7.018 0.472 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.122 -8.732 0.236 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.679 -8.139 1.854 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.520 -6.281 0.835 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.320 -7.321 2.265 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.133 -7.391 0.941 1.00 1.00 H new ATOM 963 N LEU A 67 -8.129 -10.722 -0.783 1.00 1.00 N ATOM 964 CA LEU A 67 -6.848 -10.896 -1.475 1.00 1.00 C ATOM 965 C LEU A 67 -6.621 -9.705 -2.414 1.00 1.00 C ATOM 966 O LEU A 67 -7.499 -9.359 -3.208 1.00 1.00 O ATOM 967 CB LEU A 67 -6.865 -12.246 -2.219 1.00 1.00 C ATOM 968 CG LEU A 67 -5.608 -12.532 -3.068 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.335 -12.638 -2.222 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.783 -13.848 -3.823 1.00 1.00 C ATOM 0 H LEU A 67 -8.927 -11.096 -1.296 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.016 -10.918 -0.771 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.983 -13.046 -1.488 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.740 -12.276 -2.869 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.497 -11.692 -3.753 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.483 -12.840 -2.871 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.172 -11.700 -1.690 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.443 -13.449 -1.502 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.893 -14.046 -4.421 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.929 -14.660 -3.110 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.652 -13.779 -4.477 1.00 1.00 H new ATOM 982 N VAL A 68 -5.449 -9.072 -2.319 1.00 1.00 N ATOM 983 CA VAL A 68 -5.056 -7.924 -3.158 1.00 1.00 C ATOM 984 C VAL A 68 -4.551 -8.409 -4.527 1.00 1.00 C ATOM 985 O VAL A 68 -3.353 -8.519 -4.778 1.00 1.00 O ATOM 986 CB VAL A 68 -4.033 -7.020 -2.437 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.819 -5.732 -3.235 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.526 -6.623 -1.036 1.00 1.00 C ATOM 0 H VAL A 68 -4.731 -9.343 -1.647 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.937 -7.307 -3.335 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.105 -7.586 -2.352 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.096 -5.100 -2.719 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.443 -5.978 -4.228 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.766 -5.199 -3.327 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.783 -5.987 -0.555 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.467 -6.080 -1.122 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.678 -7.520 -0.436 1.00 1.00 H new ATOM 998 N VAL A 69 -5.486 -8.786 -5.397 1.00 1.00 N ATOM 999 CA VAL A 69 -5.239 -9.473 -6.681 1.00 1.00 C ATOM 1000 C VAL A 69 -4.570 -8.615 -7.765 1.00 1.00 C ATOM 1001 O VAL A 69 -3.899 -9.165 -8.640 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.539 -10.084 -7.237 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.864 -11.394 -6.512 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.753 -9.158 -7.113 1.00 1.00 C ATOM 0 H VAL A 69 -6.478 -8.619 -5.228 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.521 -10.255 -6.435 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.353 -10.253 -8.298 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.785 -11.814 -6.915 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -6.048 -12.102 -6.657 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.990 -11.199 -5.447 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.632 -9.654 -7.525 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.927 -8.924 -6.063 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.565 -8.236 -7.664 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.687 -7.287 -7.709 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.928 -6.356 -8.561 1.00 1.00 C ATOM 1016 C ASP A 70 -3.639 -5.057 -7.787 1.00 1.00 C ATOM 1017 O ASP A 70 -4.248 -4.809 -6.746 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.694 -6.088 -9.875 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.771 -5.905 -11.084 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.972 -4.941 -11.069 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.864 -6.724 -12.028 1.00 1.00 O ATOM 0 H ASP A 70 -5.320 -6.816 -7.062 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.971 -6.804 -8.829 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.374 -6.918 -10.067 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.307 -5.195 -9.755 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.707 -4.226 -8.257 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.252 -3.016 -7.551 1.00 1.00 C ATOM 1028 C ILE A 71 -1.913 -1.902 -8.551 1.00 1.00 C ATOM 1029 O ILE A 71 -1.264 -2.126 -9.575 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.043 -3.344 -6.626 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.498 -4.310 -5.505 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.418 -2.075 -6.013 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.542 -4.540 -4.335 1.00 1.00 C ATOM 0 H ILE A 71 -2.238 -4.372 -9.151 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.063 -2.655 -6.919 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.274 -3.818 -7.236 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.439 -3.936 -5.101 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.709 -5.277 -5.961 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.421 -2.354 -5.376 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.066 -1.421 -6.811 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.167 -1.551 -5.418 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.992 -5.238 -3.629 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.395 -4.954 -4.707 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.346 -3.592 -3.834 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.317 -0.683 -8.198 1.00 1.00 N ATOM 1046 CA ASN A 72 -1.960 0.582 -8.836 1.00 1.00 C ATOM 1047 C ASN A 72 -1.600 1.602 -7.731 1.00 1.00 C ATOM 1048 O ASN A 72 -1.950 1.392 -6.569 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.151 1.013 -9.712 1.00 1.00 C ATOM 1050 CG ASN A 72 -2.902 2.309 -10.462 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.374 3.373 -10.089 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.121 2.274 -11.517 1.00 1.00 N ATOM 0 H ASN A 72 -2.944 -0.544 -7.406 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.087 0.500 -9.484 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.372 0.222 -10.429 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.034 1.128 -9.083 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -1.909 3.134 -12.024 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.726 1.387 -11.830 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.889 2.683 -8.073 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.340 3.693 -7.152 1.00 1.00 C ATOM 1061 C ASN A 73 -1.350 4.208 -6.093 1.00 1.00 C ATOM 1062 O ASN A 73 -2.148 5.108 -6.363 1.00 1.00 O ATOM 1063 CB ASN A 73 0.252 4.827 -8.011 1.00 1.00 C ATOM 1064 CG ASN A 73 0.926 5.931 -7.207 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.301 5.775 -6.054 1.00 1.00 O ATOM 1066 ND2 ASN A 73 1.108 7.086 -7.807 1.00 1.00 N ATOM 0 H ASN A 73 -0.668 2.890 -9.047 1.00 1.00 H new ATOM 0 HA ASN A 73 0.437 3.229 -6.545 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.978 4.402 -8.704 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.544 5.265 -8.613 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.562 7.853 -7.311 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.795 7.216 -8.769 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.322 3.621 -4.891 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.231 3.914 -3.772 1.00 1.00 C ATOM 1075 C GLY A 74 -3.689 3.463 -3.955 1.00 1.00 C ATOM 1076 O GLY A 74 -4.537 3.834 -3.144 1.00 1.00 O ATOM 0 H GLY A 74 -0.639 2.900 -4.660 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.835 3.440 -2.874 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.223 4.990 -3.595 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.981 2.665 -4.988 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.316 2.175 -5.379 1.00 1.00 C ATOM 1082 C VAL A 75 -5.218 0.677 -5.682 1.00 1.00 C ATOM 1083 O VAL A 75 -4.914 0.248 -6.796 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.912 2.959 -6.569 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.365 2.528 -6.822 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.921 4.476 -6.333 1.00 1.00 C ATOM 0 H VAL A 75 -3.252 2.321 -5.613 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.004 2.338 -4.550 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.275 2.734 -7.424 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.770 3.090 -7.664 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.394 1.462 -7.050 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.963 2.725 -5.932 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.350 4.977 -7.201 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.519 4.703 -5.450 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.900 4.826 -6.180 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.401 -0.129 -4.642 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.316 -1.588 -4.683 1.00 1.00 C ATOM 1098 C LEU A 76 -6.598 -2.184 -5.301 1.00 1.00 C ATOM 1099 O LEU A 76 -7.694 -1.670 -5.083 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.111 -2.072 -3.232 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.657 -1.992 -2.712 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.008 -0.606 -2.801 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.619 -2.424 -1.246 1.00 1.00 C ATOM 0 H LEU A 76 -5.621 0.227 -3.712 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.485 -1.916 -5.307 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.748 -1.480 -2.575 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.450 -3.105 -3.159 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.087 -2.652 -3.366 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.991 -0.655 -2.412 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.984 -0.282 -3.841 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.587 0.106 -2.213 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.595 -2.369 -0.877 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.254 -1.763 -0.655 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.981 -3.448 -1.159 1.00 1.00 H new ATOM 1115 N SER A 77 -6.488 -3.305 -6.011 1.00 1.00 N ATOM 1116 CA SER A 77 -7.628 -4.055 -6.554 1.00 1.00 C ATOM 1117 C SER A 77 -7.767 -5.348 -5.765 1.00 1.00 C ATOM 1118 O SER A 77 -6.839 -6.158 -5.718 1.00 1.00 O ATOM 1119 CB SER A 77 -7.450 -4.372 -8.039 1.00 1.00 C ATOM 1120 OG SER A 77 -7.164 -3.202 -8.790 1.00 1.00 O ATOM 0 H SER A 77 -5.587 -3.729 -6.232 1.00 1.00 H new ATOM 0 HA SER A 77 -8.525 -3.443 -6.461 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.642 -5.092 -8.164 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.356 -4.840 -8.423 1.00 1.00 H new ATOM 0 HG SER A 77 -7.054 -3.438 -9.735 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.920 -5.544 -5.128 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.118 -6.620 -4.148 1.00 1.00 C ATOM 1128 C VAL A 78 -10.384 -7.439 -4.414 1.00 1.00 C ATOM 1129 O VAL A 78 -11.274 -7.021 -5.155 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.067 -6.065 -2.702 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.920 -5.072 -2.468 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.354 -5.359 -2.272 1.00 1.00 C ATOM 0 H VAL A 78 -9.746 -4.963 -5.274 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.289 -7.319 -4.264 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.915 -6.963 -2.104 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.945 -4.724 -1.435 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.967 -5.564 -2.662 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.032 -4.221 -3.140 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.246 -4.997 -1.250 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.547 -4.517 -2.937 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.188 -6.060 -2.322 1.00 1.00 H new ATOM 1142 N THR A 79 -10.465 -8.615 -3.795 1.00 1.00 N ATOM 1143 CA THR A 79 -11.619 -9.530 -3.864 1.00 1.00 C ATOM 1144 C THR A 79 -11.747 -10.301 -2.539 1.00 1.00 C ATOM 1145 O THR A 79 -10.714 -10.641 -1.954 1.00 1.00 O ATOM 1146 CB THR A 79 -11.460 -10.488 -5.059 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.573 -11.346 -5.132 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.217 -11.380 -5.005 1.00 1.00 C ATOM 0 H THR A 79 -9.710 -8.975 -3.212 1.00 1.00 H new ATOM 0 HA THR A 79 -12.534 -8.957 -4.015 1.00 1.00 H new ATOM 0 HB THR A 79 -11.366 -9.836 -5.927 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.469 -11.953 -5.895 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.190 -12.020 -5.887 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.323 -10.757 -4.981 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.252 -11.999 -4.109 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.957 -10.554 -2.002 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.134 -11.220 -0.712 1.00 1.00 C ATOM 1158 C PRO A 80 -12.783 -12.717 -0.763 1.00 1.00 C ATOM 1159 O PRO A 80 -13.623 -13.574 -1.049 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.574 -10.929 -0.292 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.312 -10.766 -1.622 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.253 -10.143 -2.533 1.00 1.00 C ATOM 0 HA PRO A 80 -12.440 -10.837 0.037 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.991 -11.743 0.300 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.640 -10.027 0.316 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.663 -11.723 -2.008 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.186 -10.123 -1.522 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.377 -10.483 -3.561 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.341 -9.057 -2.544 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.518 -13.028 -0.467 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.018 -14.397 -0.308 1.00 1.00 C ATOM 1172 C HIS A 81 -11.648 -15.079 0.927 1.00 1.00 C ATOM 1173 O HIS A 81 -11.932 -16.278 0.893 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.482 -14.356 -0.219 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.776 -15.700 -0.225 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.319 -16.933 0.068 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.454 -15.918 -0.515 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.359 -17.865 -0.044 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.195 -17.290 -0.398 1.00 1.00 N ATOM 0 H HIS A 81 -10.797 -12.320 -0.328 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.306 -14.996 -1.172 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.106 -13.767 -1.055 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.205 -13.827 0.693 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.290 -17.108 0.327 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.734 -15.160 -0.788 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.500 -18.922 0.125 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.879 -14.314 2.003 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.418 -14.755 3.303 1.00 1.00 C ATOM 1189 C GLU A 82 -11.895 -16.139 3.791 1.00 1.00 C ATOM 1190 O GLU A 82 -12.696 -17.043 4.052 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.959 -14.610 3.273 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.582 -14.177 4.610 1.00 1.00 C ATOM 1193 CD GLU A 82 -14.463 -15.227 5.722 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -15.361 -16.100 5.813 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -13.490 -15.133 6.508 1.00 1.00 O ATOM 0 H GLU A 82 -11.684 -13.313 1.992 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.028 -14.099 4.081 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.228 -13.882 2.508 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.396 -15.563 2.974 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.103 -13.256 4.941 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -15.636 -13.949 4.451 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.563 -16.354 3.879 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.977 -17.632 4.296 1.00 1.00 C ATOM 1204 C PRO A 83 -10.209 -17.935 5.790 1.00 1.00 C ATOM 1205 O PRO A 83 -10.422 -17.031 6.603 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.482 -17.510 3.976 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.209 -16.017 4.141 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.504 -15.380 3.640 1.00 1.00 C ATOM 0 HA PRO A 83 -10.446 -18.464 3.771 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.875 -18.108 4.656 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.258 -17.851 2.965 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.005 -15.755 5.179 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.347 -15.696 3.556 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.708 -14.448 4.168 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.432 -15.137 2.580 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.103 -19.218 6.158 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.305 -19.739 7.522 1.00 1.00 C ATOM 1218 C ILE A 84 -9.164 -20.694 7.906 1.00 1.00 C ATOM 1219 O ILE A 84 -8.763 -21.562 7.117 1.00 1.00 O ATOM 1220 CB ILE A 84 -11.680 -20.444 7.683 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -12.882 -19.640 7.126 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -11.932 -20.713 9.179 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -13.236 -19.991 5.674 1.00 1.00 C ATOM 0 H ILE A 84 -9.865 -19.952 5.491 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.298 -18.885 8.199 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.618 -21.362 7.099 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -13.752 -19.820 7.757 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -12.657 -18.575 7.189 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -12.895 -21.208 9.302 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.142 -21.353 9.572 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -11.937 -19.768 9.723 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.086 -19.390 5.351 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -12.381 -19.785 5.031 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -13.493 -21.048 5.608 1.00 1.00 H new TER 1235 ILE A 84