USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 933 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 MET CE :methyl -167:sc=-0.00616 (180deg=-0.389) USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00148 (180deg=-0.57) USER MOD Single : A 5 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.019) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.127 USER MOD Single : A 13 SER OG : rot 64:sc= -0.463 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -62:sc= 0.333 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 31 CYS SG : rot -25:sc= -0.723! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -138:sc= -0.563 (180deg=-2.42!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -118:sc= -1.62! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.997 F(o=-1.9,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0.202 (180deg=0.201) USER MOD Single : A 60 THR OG1 : rot 25:sc= 1.04 USER MOD Single : A 62 ASN : amide:sc= -3.11! C(o=-3.1!,f=-6.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.118! USER MOD Single : A 72 GLN : amide:sc= 0.0263 K(o=0.026,f=-2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -132:sc= -6.01! USER MOD Single : A 77 GLN : amide:sc= -8.19! C(o=-8.2!,f=-8.7!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot -153:sc= -1.97! USER MOD Single : A 90 MET CE :methyl -109:sc= -9.27! (180deg=-11.6!) USER MOD Single : A 91 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.6!) USER MOD Single : A 94 THR OG1 : rot -82:sc= -4.36! USER MOD Single : A 100 ASN :FLIP amide:sc= -0.682 F(o=-1.2,f=-0.68) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.313 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.084! USER MOD Single : A 122 LYS NZ :NH3+ -145:sc= -0.282 (180deg=-1.98!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -157:sc= -0.283 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.787 -22.741 -38.483 1.00 0.00 N ATOM 2 CA MET A 1 3.067 -21.564 -37.613 1.00 0.00 C ATOM 3 C MET A 1 4.400 -21.768 -36.884 1.00 0.00 C ATOM 4 O MET A 1 4.743 -22.877 -36.526 1.00 0.00 O ATOM 5 CB MET A 1 1.942 -21.415 -36.585 1.00 0.00 C ATOM 6 CG MET A 1 0.589 -21.577 -37.281 1.00 0.00 C ATOM 7 SD MET A 1 -0.708 -20.844 -36.253 1.00 0.00 S ATOM 8 CE MET A 1 -0.749 -19.224 -37.060 1.00 0.00 C ATOM 0 H1 MET A 1 2.120 -22.468 -39.233 1.00 0.00 H new ATOM 0 H2 MET A 1 3.674 -23.074 -38.912 1.00 0.00 H new ATOM 0 H3 MET A 1 2.371 -23.504 -37.912 1.00 0.00 H new ATOM 0 HA MET A 1 3.125 -20.665 -38.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.051 -22.163 -35.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.001 -20.438 -36.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.610 -21.094 -38.258 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.380 -22.633 -37.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.317 -18.526 -36.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.269 -18.854 -37.184 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.223 -19.316 -38.037 1.00 0.00 H new ATOM 18 N PRO A 2 5.112 -20.686 -36.686 1.00 0.00 N ATOM 19 CA PRO A 2 6.416 -20.710 -35.997 1.00 0.00 C ATOM 20 C PRO A 2 6.222 -20.829 -34.482 1.00 0.00 C ATOM 21 O PRO A 2 6.589 -21.817 -33.878 1.00 0.00 O ATOM 22 CB PRO A 2 7.041 -19.361 -36.366 1.00 0.00 C ATOM 23 CG PRO A 2 5.870 -18.429 -36.755 1.00 0.00 C ATOM 24 CD PRO A 2 4.686 -19.342 -37.129 1.00 0.00 C ATOM 0 HA PRO A 2 7.039 -21.556 -36.287 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.602 -18.950 -35.526 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.741 -19.471 -37.194 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.606 -17.772 -35.926 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.146 -17.789 -37.593 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.769 -19.030 -36.629 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.489 -19.320 -38.201 1.00 0.00 H new ATOM 32 N ASP A 3 5.650 -19.832 -33.862 1.00 0.00 N ATOM 33 CA ASP A 3 5.439 -19.899 -32.388 1.00 0.00 C ATOM 34 C ASP A 3 3.956 -19.680 -32.070 1.00 0.00 C ATOM 35 O ASP A 3 3.168 -20.605 -32.074 1.00 0.00 O ATOM 36 CB ASP A 3 6.276 -18.817 -31.702 1.00 0.00 C ATOM 37 CG ASP A 3 7.763 -19.133 -31.877 1.00 0.00 C ATOM 38 OD1 ASP A 3 8.187 -20.176 -31.404 1.00 0.00 O ATOM 39 OD2 ASP A 3 8.452 -18.327 -32.481 1.00 0.00 O ATOM 0 H ASP A 3 5.321 -18.977 -34.311 1.00 0.00 H new ATOM 0 HA ASP A 3 5.745 -20.879 -32.023 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.048 -17.841 -32.130 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.026 -18.767 -30.642 1.00 0.00 H new ATOM 44 N LEU A 4 3.569 -18.465 -31.791 1.00 0.00 N ATOM 45 CA LEU A 4 2.139 -18.189 -31.471 1.00 0.00 C ATOM 46 C LEU A 4 1.769 -18.867 -30.149 1.00 0.00 C ATOM 47 O LEU A 4 1.111 -19.888 -30.126 1.00 0.00 O ATOM 48 CB LEU A 4 1.248 -18.734 -32.588 1.00 0.00 C ATOM 49 CG LEU A 4 0.460 -17.583 -33.216 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.127 -17.164 -34.528 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.975 -18.039 -33.494 1.00 0.00 C ATOM 0 H LEU A 4 4.182 -17.650 -31.771 1.00 0.00 H new ATOM 0 HA LEU A 4 1.992 -17.113 -31.382 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.857 -19.229 -33.345 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.564 -19.483 -32.190 1.00 0.00 H new ATOM 0 HG LEU A 4 0.445 -16.736 -32.530 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.566 -16.344 -34.976 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.148 -16.839 -34.329 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.143 -18.010 -35.215 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.537 -17.219 -33.941 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.961 -18.886 -34.180 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.450 -18.337 -32.559 1.00 0.00 H new ATOM 63 N ASN A 5 2.185 -18.304 -29.047 1.00 0.00 N ATOM 64 CA ASN A 5 1.852 -18.914 -27.728 1.00 0.00 C ATOM 65 C ASN A 5 1.519 -17.804 -26.729 1.00 0.00 C ATOM 66 O ASN A 5 2.377 -17.309 -26.026 1.00 0.00 O ATOM 67 CB ASN A 5 3.051 -19.715 -27.216 1.00 0.00 C ATOM 68 CG ASN A 5 2.724 -21.209 -27.260 1.00 0.00 C ATOM 69 OD1 ASN A 5 3.436 -21.980 -27.871 1.00 0.00 O ATOM 70 ND2 ASN A 5 1.668 -21.653 -26.634 1.00 0.00 N ATOM 0 H ASN A 5 2.740 -17.449 -29.003 1.00 0.00 H new ATOM 0 HA ASN A 5 0.995 -19.578 -27.840 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.929 -19.506 -27.827 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.294 -19.415 -26.197 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.441 -22.647 -26.658 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.070 -21.006 -26.121 1.00 0.00 H new ATOM 77 N SER A 6 0.278 -17.406 -26.665 1.00 0.00 N ATOM 78 CA SER A 6 -0.111 -16.326 -25.716 1.00 0.00 C ATOM 79 C SER A 6 0.766 -15.095 -25.959 1.00 0.00 C ATOM 80 O SER A 6 1.789 -14.916 -25.330 1.00 0.00 O ATOM 81 CB SER A 6 0.082 -16.812 -24.280 1.00 0.00 C ATOM 82 OG SER A 6 -1.050 -16.443 -23.503 1.00 0.00 O ATOM 0 H SER A 6 -0.484 -17.783 -27.229 1.00 0.00 H new ATOM 0 HA SER A 6 -1.158 -16.065 -25.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.211 -17.894 -24.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.987 -16.377 -23.855 1.00 0.00 H new ATOM 0 HG SER A 6 -0.930 -16.755 -22.582 1.00 0.00 H new ATOM 88 N SER A 7 0.370 -14.244 -26.867 1.00 0.00 N ATOM 89 CA SER A 7 1.180 -13.023 -27.149 1.00 0.00 C ATOM 90 C SER A 7 2.467 -13.420 -27.875 1.00 0.00 C ATOM 91 O SER A 7 2.725 -14.584 -28.109 1.00 0.00 O ATOM 92 CB SER A 7 1.530 -12.330 -25.832 1.00 0.00 C ATOM 93 OG SER A 7 1.101 -10.976 -25.885 1.00 0.00 O ATOM 0 H SER A 7 -0.478 -14.341 -27.425 1.00 0.00 H new ATOM 0 HA SER A 7 0.605 -12.342 -27.777 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.050 -12.843 -24.999 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.605 -12.376 -25.658 1.00 0.00 H new ATOM 0 HG SER A 7 1.322 -10.529 -25.041 1.00 0.00 H new ATOM 99 N THR A 8 3.279 -12.462 -28.237 1.00 0.00 N ATOM 100 CA THR A 8 4.546 -12.791 -28.950 1.00 0.00 C ATOM 101 C THR A 8 5.645 -11.814 -28.524 1.00 0.00 C ATOM 102 O THR A 8 6.790 -12.186 -28.365 1.00 0.00 O ATOM 103 CB THR A 8 4.326 -12.677 -30.459 1.00 0.00 C ATOM 104 OG1 THR A 8 5.581 -12.531 -31.109 1.00 0.00 O ATOM 105 CG2 THR A 8 3.450 -11.459 -30.757 1.00 0.00 C ATOM 0 H THR A 8 3.119 -11.469 -28.070 1.00 0.00 H new ATOM 0 HA THR A 8 4.847 -13.808 -28.699 1.00 0.00 H new ATOM 0 HB THR A 8 3.830 -13.577 -30.824 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.442 -12.459 -32.076 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.293 -11.378 -31.833 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.488 -11.572 -30.258 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.944 -10.558 -30.393 1.00 0.00 H new ATOM 113 N ASP A 9 5.308 -10.567 -28.344 1.00 0.00 N ATOM 114 CA ASP A 9 6.335 -9.570 -27.935 1.00 0.00 C ATOM 115 C ASP A 9 6.361 -9.452 -26.411 1.00 0.00 C ATOM 116 O ASP A 9 5.965 -8.450 -25.849 1.00 0.00 O ATOM 117 CB ASP A 9 5.994 -8.209 -28.547 1.00 0.00 C ATOM 118 CG ASP A 9 4.681 -7.698 -27.949 1.00 0.00 C ATOM 119 OD1 ASP A 9 4.035 -8.461 -27.250 1.00 0.00 O ATOM 120 OD2 ASP A 9 4.347 -6.552 -28.199 1.00 0.00 O ATOM 0 H ASP A 9 4.365 -10.196 -28.463 1.00 0.00 H new ATOM 0 HA ASP A 9 7.314 -9.894 -28.287 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.797 -7.498 -28.351 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.904 -8.297 -29.630 1.00 0.00 H new ATOM 125 N SER A 10 6.828 -10.466 -25.735 1.00 0.00 N ATOM 126 CA SER A 10 6.884 -10.409 -24.248 1.00 0.00 C ATOM 127 C SER A 10 8.133 -9.635 -23.820 1.00 0.00 C ATOM 128 O SER A 10 8.074 -8.747 -22.991 1.00 0.00 O ATOM 129 CB SER A 10 6.947 -11.829 -23.685 1.00 0.00 C ATOM 130 OG SER A 10 7.220 -12.740 -24.742 1.00 0.00 O ATOM 0 H SER A 10 7.173 -11.332 -26.149 1.00 0.00 H new ATOM 0 HA SER A 10 5.994 -9.908 -23.867 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.722 -11.896 -22.922 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.003 -12.084 -23.204 1.00 0.00 H new ATOM 0 HG SER A 10 7.263 -13.652 -24.385 1.00 0.00 H new ATOM 136 N ALA A 11 9.265 -9.964 -24.378 1.00 0.00 N ATOM 137 CA ALA A 11 10.518 -9.250 -24.006 1.00 0.00 C ATOM 138 C ALA A 11 10.729 -9.346 -22.494 1.00 0.00 C ATOM 139 O ALA A 11 10.033 -10.062 -21.804 1.00 0.00 O ATOM 140 CB ALA A 11 10.406 -7.779 -24.411 1.00 0.00 C ATOM 0 H ALA A 11 9.376 -10.698 -25.077 1.00 0.00 H new ATOM 0 HA ALA A 11 11.363 -9.706 -24.522 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.323 -7.256 -24.139 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.254 -7.709 -25.488 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.561 -7.323 -23.895 1.00 0.00 H new ATOM 146 N ALA A 12 11.686 -8.626 -21.975 1.00 0.00 N ATOM 147 CA ALA A 12 11.942 -8.670 -20.507 1.00 0.00 C ATOM 148 C ALA A 12 12.028 -7.244 -19.962 1.00 0.00 C ATOM 149 O ALA A 12 12.656 -6.384 -20.546 1.00 0.00 O ATOM 150 CB ALA A 12 13.262 -9.398 -20.240 1.00 0.00 C ATOM 0 H ALA A 12 12.302 -8.009 -22.504 1.00 0.00 H new ATOM 0 HA ALA A 12 11.128 -9.200 -20.012 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.449 -9.430 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.202 -10.415 -20.628 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.076 -8.868 -20.735 1.00 0.00 H new ATOM 156 N SER A 13 11.401 -6.985 -18.848 1.00 0.00 N ATOM 157 CA SER A 13 11.449 -5.612 -18.268 1.00 0.00 C ATOM 158 C SER A 13 10.989 -4.598 -19.316 1.00 0.00 C ATOM 159 O SER A 13 10.697 -4.945 -20.444 1.00 0.00 O ATOM 160 CB SER A 13 12.882 -5.288 -17.845 1.00 0.00 C ATOM 161 OG SER A 13 12.966 -3.913 -17.492 1.00 0.00 O ATOM 0 H SER A 13 10.858 -7.663 -18.314 1.00 0.00 H new ATOM 0 HA SER A 13 10.791 -5.562 -17.400 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.174 -5.911 -17.000 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.573 -5.510 -18.658 1.00 0.00 H new ATOM 0 HG SER A 13 12.401 -3.741 -16.710 1.00 0.00 H new ATOM 167 N ALA A 14 10.926 -3.346 -18.954 1.00 0.00 N ATOM 168 CA ALA A 14 10.488 -2.308 -19.929 1.00 0.00 C ATOM 169 C ALA A 14 11.405 -2.347 -21.153 1.00 0.00 C ATOM 170 O ALA A 14 12.591 -2.590 -21.044 1.00 0.00 O ATOM 171 CB ALA A 14 10.571 -0.928 -19.274 1.00 0.00 C ATOM 0 H ALA A 14 11.159 -2.997 -18.024 1.00 0.00 H new ATOM 0 HA ALA A 14 9.460 -2.503 -20.235 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.251 -0.167 -19.986 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.922 -0.901 -18.398 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.599 -0.731 -18.970 1.00 0.00 H new ATOM 177 N SER A 15 10.868 -2.113 -22.319 1.00 0.00 N ATOM 178 CA SER A 15 11.713 -2.140 -23.545 1.00 0.00 C ATOM 179 C SER A 15 10.831 -1.940 -24.779 1.00 0.00 C ATOM 180 O SER A 15 11.174 -1.213 -25.689 1.00 0.00 O ATOM 181 CB SER A 15 12.427 -3.490 -23.640 1.00 0.00 C ATOM 182 OG SER A 15 12.472 -3.905 -24.999 1.00 0.00 O ATOM 0 H SER A 15 9.882 -1.905 -22.475 1.00 0.00 H new ATOM 0 HA SER A 15 12.452 -1.340 -23.495 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.437 -3.409 -23.239 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.904 -4.234 -23.038 1.00 0.00 H new ATOM 0 HG SER A 15 12.930 -4.769 -25.062 1.00 0.00 H new ATOM 188 N ALA A 16 9.695 -2.582 -24.818 1.00 0.00 N ATOM 189 CA ALA A 16 8.793 -2.431 -25.992 1.00 0.00 C ATOM 190 C ALA A 16 7.864 -1.234 -25.773 1.00 0.00 C ATOM 191 O ALA A 16 6.842 -1.103 -26.417 1.00 0.00 O ATOM 192 CB ALA A 16 7.960 -3.702 -26.161 1.00 0.00 C ATOM 0 H ALA A 16 9.354 -3.205 -24.086 1.00 0.00 H new ATOM 0 HA ALA A 16 9.389 -2.266 -26.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.299 -3.592 -27.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.623 -4.553 -26.319 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.364 -3.868 -25.264 1.00 0.00 H new ATOM 198 N ALA A 17 8.212 -0.358 -24.870 1.00 0.00 N ATOM 199 CA ALA A 17 7.350 0.830 -24.613 1.00 0.00 C ATOM 200 C ALA A 17 6.002 0.375 -24.051 1.00 0.00 C ATOM 201 O ALA A 17 4.995 1.035 -24.219 1.00 0.00 O ATOM 202 CB ALA A 17 7.125 1.587 -25.922 1.00 0.00 C ATOM 0 H ALA A 17 9.056 -0.414 -24.299 1.00 0.00 H new ATOM 0 HA ALA A 17 7.841 1.484 -23.892 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.495 2.456 -25.736 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.084 1.914 -26.323 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.635 0.931 -26.642 1.00 0.00 H new ATOM 208 N SER A 18 5.972 -0.746 -23.385 1.00 0.00 N ATOM 209 CA SER A 18 4.686 -1.238 -22.816 1.00 0.00 C ATOM 210 C SER A 18 3.670 -1.434 -23.942 1.00 0.00 C ATOM 211 O SER A 18 3.878 -1.005 -25.059 1.00 0.00 O ATOM 212 CB SER A 18 4.147 -0.213 -21.817 1.00 0.00 C ATOM 213 OG SER A 18 3.705 -0.884 -20.644 1.00 0.00 O ATOM 0 H SER A 18 6.781 -1.342 -23.210 1.00 0.00 H new ATOM 0 HA SER A 18 4.853 -2.188 -22.309 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.924 0.509 -21.565 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.324 0.346 -22.261 1.00 0.00 H new ATOM 0 HG SER A 18 3.361 -0.228 -20.002 1.00 0.00 H new ATOM 219 N ASP A 19 2.571 -2.080 -23.659 1.00 0.00 N ATOM 220 CA ASP A 19 1.547 -2.303 -24.717 1.00 0.00 C ATOM 221 C ASP A 19 1.071 -0.955 -25.263 1.00 0.00 C ATOM 222 O ASP A 19 1.315 0.084 -24.680 1.00 0.00 O ATOM 223 CB ASP A 19 0.358 -3.063 -24.125 1.00 0.00 C ATOM 224 CG ASP A 19 -0.340 -3.860 -25.228 1.00 0.00 C ATOM 225 OD1 ASP A 19 0.230 -3.971 -26.301 1.00 0.00 O ATOM 226 OD2 ASP A 19 -1.431 -4.345 -24.981 1.00 0.00 O ATOM 0 H ASP A 19 2.339 -2.462 -22.742 1.00 0.00 H new ATOM 0 HA ASP A 19 1.985 -2.887 -25.527 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.698 -3.734 -23.337 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.343 -2.364 -23.668 1.00 0.00 H new ATOM 231 N VAL A 20 0.397 -0.963 -26.380 1.00 0.00 N ATOM 232 CA VAL A 20 -0.093 0.316 -26.967 1.00 0.00 C ATOM 233 C VAL A 20 -1.540 0.561 -26.532 1.00 0.00 C ATOM 234 O VAL A 20 -2.306 -0.363 -26.345 1.00 0.00 O ATOM 235 CB VAL A 20 -0.024 0.236 -28.494 1.00 0.00 C ATOM 236 CG1 VAL A 20 -0.448 1.575 -29.100 1.00 0.00 C ATOM 237 CG2 VAL A 20 1.412 -0.083 -28.920 1.00 0.00 C ATOM 0 H VAL A 20 0.164 -1.801 -26.912 1.00 0.00 H new ATOM 0 HA VAL A 20 0.532 1.137 -26.617 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.695 -0.548 -28.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.398 1.515 -30.187 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.469 1.805 -28.796 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.220 2.361 -28.749 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.465 -0.141 -30.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.080 0.702 -28.566 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.715 -1.038 -28.491 1.00 0.00 H new ATOM 247 N SER A 21 -1.919 1.799 -26.372 1.00 0.00 N ATOM 248 CA SER A 21 -3.316 2.108 -25.951 1.00 0.00 C ATOM 249 C SER A 21 -3.471 1.840 -24.452 1.00 0.00 C ATOM 250 O SER A 21 -2.503 1.776 -23.720 1.00 0.00 O ATOM 251 CB SER A 21 -4.292 1.226 -26.731 1.00 0.00 C ATOM 252 OG SER A 21 -5.374 2.023 -27.195 1.00 0.00 O ATOM 0 H SER A 21 -1.320 2.612 -26.515 1.00 0.00 H new ATOM 0 HA SER A 21 -3.532 3.157 -26.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.783 0.756 -27.573 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.663 0.423 -26.095 1.00 0.00 H new ATOM 0 HG SER A 21 -6.002 1.462 -27.697 1.00 0.00 H new ATOM 258 N VAL A 22 -4.682 1.686 -23.988 1.00 0.00 N ATOM 259 CA VAL A 22 -4.896 1.426 -22.536 1.00 0.00 C ATOM 260 C VAL A 22 -4.749 -0.072 -22.258 1.00 0.00 C ATOM 261 O VAL A 22 -5.389 -0.896 -22.881 1.00 0.00 O ATOM 262 CB VAL A 22 -6.301 1.883 -22.136 1.00 0.00 C ATOM 263 CG1 VAL A 22 -6.360 3.412 -22.138 1.00 0.00 C ATOM 264 CG2 VAL A 22 -7.322 1.334 -23.134 1.00 0.00 C ATOM 0 H VAL A 22 -5.531 1.729 -24.551 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.156 1.978 -21.956 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.532 1.510 -21.138 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.360 3.738 -21.853 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.634 3.805 -21.426 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.128 3.784 -23.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.322 1.660 -22.848 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.091 1.705 -24.132 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.282 0.245 -23.134 1.00 0.00 H new ATOM 274 N GLU A 23 -3.908 -0.431 -21.326 1.00 0.00 N ATOM 275 CA GLU A 23 -3.716 -1.874 -21.006 1.00 0.00 C ATOM 276 C GLU A 23 -4.700 -2.290 -19.910 1.00 0.00 C ATOM 277 O GLU A 23 -4.308 -2.697 -18.835 1.00 0.00 O ATOM 278 CB GLU A 23 -2.284 -2.096 -20.517 1.00 0.00 C ATOM 279 CG GLU A 23 -1.953 -3.588 -20.565 1.00 0.00 C ATOM 280 CD GLU A 23 -1.923 -4.055 -22.021 1.00 0.00 C ATOM 281 OE1 GLU A 23 -2.138 -3.229 -22.892 1.00 0.00 O ATOM 282 OE2 GLU A 23 -1.686 -5.232 -22.240 1.00 0.00 O ATOM 0 H GLU A 23 -3.345 0.214 -20.772 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.895 -2.473 -21.899 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.585 -1.538 -21.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.174 -1.721 -19.500 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.988 -3.773 -20.092 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.697 -4.155 -20.005 1.00 0.00 H new ATOM 289 N SER A 24 -5.975 -2.188 -20.172 1.00 0.00 N ATOM 290 CA SER A 24 -6.980 -2.576 -19.143 1.00 0.00 C ATOM 291 C SER A 24 -7.558 -3.951 -19.479 1.00 0.00 C ATOM 292 O SER A 24 -8.746 -4.181 -19.360 1.00 0.00 O ATOM 293 CB SER A 24 -8.109 -1.545 -19.121 1.00 0.00 C ATOM 294 OG SER A 24 -8.937 -1.780 -17.990 1.00 0.00 O ATOM 0 H SER A 24 -6.363 -1.853 -21.054 1.00 0.00 H new ATOM 0 HA SER A 24 -6.498 -2.615 -18.166 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.696 -0.537 -19.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.697 -1.612 -20.037 1.00 0.00 H new ATOM 0 HG SER A 24 -9.341 -2.670 -18.059 1.00 0.00 H new ATOM 300 N THR A 25 -6.733 -4.871 -19.896 1.00 0.00 N ATOM 301 CA THR A 25 -7.245 -6.228 -20.235 1.00 0.00 C ATOM 302 C THR A 25 -7.614 -6.968 -18.947 1.00 0.00 C ATOM 303 O THR A 25 -7.311 -6.525 -17.856 1.00 0.00 O ATOM 304 CB THR A 25 -6.163 -7.011 -20.982 1.00 0.00 C ATOM 305 OG1 THR A 25 -6.673 -8.283 -21.355 1.00 0.00 O ATOM 306 CG2 THR A 25 -4.945 -7.192 -20.076 1.00 0.00 C ATOM 0 H THR A 25 -5.728 -4.742 -20.016 1.00 0.00 H new ATOM 0 HA THR A 25 -8.127 -6.136 -20.868 1.00 0.00 H new ATOM 0 HB THR A 25 -5.868 -6.462 -21.876 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.981 -8.785 -21.835 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.175 -7.750 -20.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.554 -6.215 -19.792 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.236 -7.741 -19.180 1.00 0.00 H new ATOM 314 N ALA A 26 -8.266 -8.093 -19.063 1.00 0.00 N ATOM 315 CA ALA A 26 -8.652 -8.857 -17.842 1.00 0.00 C ATOM 316 C ALA A 26 -7.710 -10.051 -17.668 1.00 0.00 C ATOM 317 O ALA A 26 -6.727 -10.186 -18.368 1.00 0.00 O ATOM 318 CB ALA A 26 -10.092 -9.351 -17.985 1.00 0.00 C ATOM 0 H ALA A 26 -8.547 -8.515 -19.948 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.578 -8.210 -16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.375 -9.910 -17.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.759 -8.498 -18.106 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.169 -9.998 -18.858 1.00 0.00 H new ATOM 324 N GLU A 27 -7.996 -10.917 -16.730 1.00 0.00 N ATOM 325 CA GLU A 27 -7.112 -12.094 -16.505 1.00 0.00 C ATOM 326 C GLU A 27 -5.741 -11.617 -16.040 1.00 0.00 C ATOM 327 O GLU A 27 -4.896 -11.243 -16.828 1.00 0.00 O ATOM 328 CB GLU A 27 -6.966 -12.897 -17.796 1.00 0.00 C ATOM 329 CG GLU A 27 -8.050 -13.972 -17.840 1.00 0.00 C ATOM 330 CD GLU A 27 -8.217 -14.476 -19.274 1.00 0.00 C ATOM 331 OE1 GLU A 27 -7.314 -14.262 -20.066 1.00 0.00 O ATOM 332 OE2 GLU A 27 -9.246 -15.069 -19.556 1.00 0.00 O ATOM 0 H GLU A 27 -8.805 -10.858 -16.111 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.556 -12.732 -15.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.054 -12.239 -18.660 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.979 -13.356 -17.844 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.783 -14.799 -17.182 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.993 -13.566 -17.475 1.00 0.00 H new ATOM 339 N ALA A 28 -5.521 -11.625 -14.759 1.00 0.00 N ATOM 340 CA ALA A 28 -4.206 -11.170 -14.223 1.00 0.00 C ATOM 341 C ALA A 28 -3.997 -9.699 -14.590 1.00 0.00 C ATOM 342 O ALA A 28 -4.144 -9.310 -15.732 1.00 0.00 O ATOM 343 CB ALA A 28 -3.085 -12.014 -14.837 1.00 0.00 C ATOM 0 H ALA A 28 -6.195 -11.927 -14.055 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.191 -11.284 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.123 -11.682 -14.446 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.238 -13.063 -14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.095 -11.899 -15.921 1.00 0.00 H new ATOM 349 N THR A 29 -3.666 -8.875 -13.632 1.00 0.00 N ATOM 350 CA THR A 29 -3.462 -7.430 -13.938 1.00 0.00 C ATOM 351 C THR A 29 -2.436 -6.824 -12.973 1.00 0.00 C ATOM 352 O THR A 29 -2.377 -7.177 -11.812 1.00 0.00 O ATOM 353 CB THR A 29 -4.798 -6.695 -13.797 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.463 -7.153 -12.628 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.669 -6.977 -15.021 1.00 0.00 C ATOM 0 H THR A 29 -3.529 -9.138 -12.656 1.00 0.00 H new ATOM 0 HA THR A 29 -3.088 -7.327 -14.957 1.00 0.00 H new ATOM 0 HB THR A 29 -4.618 -5.623 -13.721 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.318 -6.684 -12.533 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.620 -6.453 -14.920 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.158 -6.630 -15.919 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.852 -8.049 -15.098 1.00 0.00 H new ATOM 363 N VAL A 30 -1.633 -5.906 -13.448 1.00 0.00 N ATOM 364 CA VAL A 30 -0.613 -5.267 -12.566 1.00 0.00 C ATOM 365 C VAL A 30 -1.161 -3.932 -12.054 1.00 0.00 C ATOM 366 O VAL A 30 -2.044 -3.342 -12.645 1.00 0.00 O ATOM 367 CB VAL A 30 0.680 -5.029 -13.368 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.444 -3.813 -12.824 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.577 -6.263 -13.263 1.00 0.00 C ATOM 0 H VAL A 30 -1.641 -5.571 -14.412 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.393 -5.918 -11.720 1.00 0.00 H new ATOM 0 HB VAL A 30 0.411 -4.842 -14.408 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.354 -3.665 -13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.816 -2.925 -12.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.705 -3.985 -11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.493 -6.096 -13.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.826 -6.444 -12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.053 -7.129 -13.667 1.00 0.00 H new ATOM 379 N CYS A 31 -0.636 -3.447 -10.963 1.00 0.00 N ATOM 380 CA CYS A 31 -1.119 -2.142 -10.423 1.00 0.00 C ATOM 381 C CYS A 31 0.046 -1.366 -9.801 1.00 0.00 C ATOM 382 O CYS A 31 0.324 -1.481 -8.622 1.00 0.00 O ATOM 383 CB CYS A 31 -2.198 -2.388 -9.364 1.00 0.00 C ATOM 384 SG CYS A 31 -3.373 -3.621 -9.978 1.00 0.00 S ATOM 0 H CYS A 31 0.104 -3.895 -10.423 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.540 -1.556 -11.239 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.741 -2.735 -8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.717 -1.457 -9.135 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.370 -3.613 -11.278 1.00 0.00 H new ATOM 390 N THR A 32 0.724 -0.565 -10.583 1.00 0.00 N ATOM 391 CA THR A 32 1.864 0.229 -10.037 1.00 0.00 C ATOM 392 C THR A 32 1.308 1.458 -9.308 1.00 0.00 C ATOM 393 O THR A 32 0.506 2.195 -9.846 1.00 0.00 O ATOM 394 CB THR A 32 2.765 0.683 -11.186 1.00 0.00 C ATOM 395 OG1 THR A 32 2.828 -0.340 -12.171 1.00 0.00 O ATOM 396 CG2 THR A 32 4.168 0.969 -10.651 1.00 0.00 C ATOM 0 H THR A 32 0.537 -0.427 -11.576 1.00 0.00 H new ATOM 0 HA THR A 32 2.443 -0.382 -9.345 1.00 0.00 H new ATOM 0 HB THR A 32 2.357 1.590 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.404 -0.049 -12.909 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.811 1.293 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.117 1.755 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.578 0.064 -10.204 1.00 0.00 H new ATOM 404 N VAL A 33 1.700 1.671 -8.080 1.00 0.00 N ATOM 405 CA VAL A 33 1.153 2.835 -7.322 1.00 0.00 C ATOM 406 C VAL A 33 2.213 3.436 -6.387 1.00 0.00 C ATOM 407 O VAL A 33 3.181 2.798 -6.040 1.00 0.00 O ATOM 408 CB VAL A 33 -0.024 2.359 -6.462 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.324 2.930 -7.019 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.109 0.826 -6.460 1.00 0.00 C ATOM 0 H VAL A 33 2.370 1.094 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 33 0.840 3.593 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 33 0.131 2.706 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.161 2.592 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.279 4.019 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.462 2.588 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.951 0.509 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.251 0.468 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.814 0.411 -6.055 1.00 0.00 H new ATOM 420 N THR A 34 2.012 4.657 -5.948 1.00 0.00 N ATOM 421 CA THR A 34 2.974 5.286 -5.003 1.00 0.00 C ATOM 422 C THR A 34 2.247 5.602 -3.698 1.00 0.00 C ATOM 423 O THR A 34 1.139 6.101 -3.705 1.00 0.00 O ATOM 424 CB THR A 34 3.525 6.589 -5.583 1.00 0.00 C ATOM 425 OG1 THR A 34 2.585 7.152 -6.484 1.00 0.00 O ATOM 426 CG2 THR A 34 4.860 6.337 -6.285 1.00 0.00 C ATOM 0 H THR A 34 1.218 5.242 -6.208 1.00 0.00 H new ATOM 0 HA THR A 34 3.800 4.596 -4.830 1.00 0.00 H new ATOM 0 HB THR A 34 3.696 7.294 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.943 7.987 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.239 7.274 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.577 5.936 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.716 5.621 -7.094 1.00 0.00 H new ATOM 434 N LEU A 35 2.847 5.313 -2.576 1.00 0.00 N ATOM 435 CA LEU A 35 2.147 5.607 -1.283 1.00 0.00 C ATOM 436 C LEU A 35 2.950 6.587 -0.431 1.00 0.00 C ATOM 437 O LEU A 35 3.435 6.237 0.624 1.00 0.00 O ATOM 438 CB LEU A 35 1.969 4.327 -0.500 1.00 0.00 C ATOM 439 CG LEU A 35 0.648 3.658 -0.887 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.405 2.457 0.023 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.502 4.656 -0.725 1.00 0.00 C ATOM 0 H LEU A 35 3.773 4.894 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 35 1.180 6.051 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.801 3.651 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.979 4.540 0.569 1.00 0.00 H new ATOM 0 HG LEU A 35 0.699 3.330 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.535 1.978 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.222 1.744 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.355 2.790 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.441 4.177 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.554 4.986 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.330 5.517 -1.371 1.00 0.00 H new ATOM 453 N GLU A 36 3.062 7.805 -0.887 1.00 0.00 N ATOM 454 CA GLU A 36 3.824 8.876 -0.154 1.00 0.00 C ATOM 455 C GLU A 36 4.209 8.429 1.262 1.00 0.00 C ATOM 456 O GLU A 36 3.363 8.230 2.110 1.00 0.00 O ATOM 457 CB GLU A 36 2.961 10.136 -0.064 1.00 0.00 C ATOM 458 CG GLU A 36 1.490 9.743 0.088 1.00 0.00 C ATOM 459 CD GLU A 36 0.614 10.992 -0.030 1.00 0.00 C ATOM 460 OE1 GLU A 36 0.920 11.972 0.630 1.00 0.00 O ATOM 461 OE2 GLU A 36 -0.349 10.948 -0.780 1.00 0.00 O ATOM 0 H GLU A 36 2.646 8.118 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 36 4.741 9.077 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.275 10.744 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.094 10.745 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.215 9.019 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.329 9.262 1.053 1.00 0.00 H new ATOM 468 N LYS A 37 5.482 8.266 1.523 1.00 0.00 N ATOM 469 CA LYS A 37 5.905 7.825 2.887 1.00 0.00 C ATOM 470 C LYS A 37 5.872 9.016 3.844 1.00 0.00 C ATOM 471 O LYS A 37 6.883 9.626 4.130 1.00 0.00 O ATOM 472 CB LYS A 37 7.329 7.252 2.855 1.00 0.00 C ATOM 473 CG LYS A 37 7.302 5.805 3.340 1.00 0.00 C ATOM 474 CD LYS A 37 8.228 5.658 4.548 1.00 0.00 C ATOM 475 CE LYS A 37 7.390 5.567 5.824 1.00 0.00 C ATOM 476 NZ LYS A 37 8.018 6.397 6.891 1.00 0.00 N ATOM 0 H LYS A 37 6.240 8.418 0.858 1.00 0.00 H new ATOM 0 HA LYS A 37 5.217 7.051 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.730 7.301 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.987 7.847 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.285 5.519 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.620 5.136 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.845 4.766 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.906 6.509 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.374 5.912 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.317 4.530 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.448 6.335 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.979 6.048 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.065 7.388 6.578 1.00 0.00 H new ATOM 490 N MET A 38 4.717 9.341 4.353 1.00 0.00 N ATOM 491 CA MET A 38 4.615 10.484 5.306 1.00 0.00 C ATOM 492 C MET A 38 3.729 10.079 6.488 1.00 0.00 C ATOM 493 O MET A 38 3.426 10.876 7.353 1.00 0.00 O ATOM 494 CB MET A 38 4.005 11.703 4.603 1.00 0.00 C ATOM 495 CG MET A 38 3.675 12.775 5.643 1.00 0.00 C ATOM 496 SD MET A 38 4.005 14.413 4.950 1.00 0.00 S ATOM 497 CE MET A 38 5.770 14.176 4.633 1.00 0.00 C ATOM 0 H MET A 38 3.838 8.865 4.151 1.00 0.00 H new ATOM 0 HA MET A 38 5.612 10.743 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.703 12.099 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.103 11.413 4.065 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.629 12.698 5.940 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.273 12.621 6.541 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.315 15.075 4.920 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.134 13.329 5.215 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.926 13.981 3.572 1.00 0.00 H new ATOM 507 N SER A 39 3.316 8.841 6.533 1.00 0.00 N ATOM 508 CA SER A 39 2.456 8.384 7.659 1.00 0.00 C ATOM 509 C SER A 39 3.289 7.532 8.617 1.00 0.00 C ATOM 510 O SER A 39 3.493 7.887 9.761 1.00 0.00 O ATOM 511 CB SER A 39 1.297 7.552 7.109 1.00 0.00 C ATOM 512 OG SER A 39 0.182 8.399 6.869 1.00 0.00 O ATOM 0 H SER A 39 3.538 8.128 5.838 1.00 0.00 H new ATOM 0 HA SER A 39 2.059 9.248 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.597 7.056 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.028 6.769 7.818 1.00 0.00 H new ATOM 0 HG SER A 39 -0.562 7.868 6.515 1.00 0.00 H new ATOM 518 N ALA A 40 3.778 6.410 8.160 1.00 0.00 N ATOM 519 CA ALA A 40 4.601 5.545 9.051 1.00 0.00 C ATOM 520 C ALA A 40 4.745 4.150 8.438 1.00 0.00 C ATOM 521 O ALA A 40 4.609 3.149 9.114 1.00 0.00 O ATOM 522 CB ALA A 40 3.920 5.432 10.418 1.00 0.00 C ATOM 0 H ALA A 40 3.643 6.057 7.212 1.00 0.00 H new ATOM 0 HA ALA A 40 5.590 5.988 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.520 4.799 11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.824 6.424 10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.930 4.992 10.296 1.00 0.00 H new ATOM 528 N GLY A 41 5.026 4.070 7.165 1.00 0.00 N ATOM 529 CA GLY A 41 5.184 2.733 6.522 1.00 0.00 C ATOM 530 C GLY A 41 4.165 2.573 5.392 1.00 0.00 C ATOM 531 O GLY A 41 3.422 1.613 5.346 1.00 0.00 O ATOM 0 H GLY A 41 5.153 4.869 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.195 2.626 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.045 1.945 7.263 1.00 0.00 H new ATOM 535 N LEU A 42 4.129 3.504 4.473 1.00 0.00 N ATOM 536 CA LEU A 42 3.161 3.405 3.331 1.00 0.00 C ATOM 537 C LEU A 42 1.796 2.939 3.829 1.00 0.00 C ATOM 538 O LEU A 42 1.000 2.412 3.077 1.00 0.00 O ATOM 539 CB LEU A 42 3.677 2.414 2.281 1.00 0.00 C ATOM 540 CG LEU A 42 5.134 2.065 2.570 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.620 1.016 1.570 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.987 3.328 2.448 1.00 0.00 C ATOM 0 H LEU A 42 4.727 4.330 4.461 1.00 0.00 H new ATOM 0 HA LEU A 42 3.064 4.393 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.068 1.510 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.588 2.847 1.285 1.00 0.00 H new ATOM 0 HG LEU A 42 5.220 1.662 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.661 0.769 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.009 0.118 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.537 1.412 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.029 3.084 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.900 3.729 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.640 4.072 3.165 1.00 0.00 H new ATOM 554 N GLY A 43 1.514 3.126 5.083 1.00 0.00 N ATOM 555 CA GLY A 43 0.199 2.693 5.615 1.00 0.00 C ATOM 556 C GLY A 43 0.000 1.196 5.367 1.00 0.00 C ATOM 557 O GLY A 43 -1.078 0.673 5.573 1.00 0.00 O ATOM 0 H GLY A 43 2.138 3.560 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.143 2.904 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.600 3.259 5.136 1.00 0.00 H new ATOM 561 N PHE A 44 1.016 0.486 4.936 1.00 0.00 N ATOM 562 CA PHE A 44 0.830 -0.963 4.705 1.00 0.00 C ATOM 563 C PHE A 44 2.100 -1.721 5.073 1.00 0.00 C ATOM 564 O PHE A 44 3.200 -1.207 5.032 1.00 0.00 O ATOM 565 CB PHE A 44 0.442 -1.230 3.243 1.00 0.00 C ATOM 566 CG PHE A 44 1.645 -1.171 2.324 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.647 -2.150 2.396 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.739 -0.150 1.373 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.736 -2.101 1.522 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.824 -0.108 0.497 1.00 0.00 C ATOM 571 CZ PHE A 44 3.822 -1.079 0.571 1.00 0.00 C ATOM 0 H PHE A 44 1.949 0.849 4.740 1.00 0.00 H new ATOM 0 HA PHE A 44 0.019 -1.317 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.028 -2.210 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.297 -0.496 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.577 -2.942 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.971 0.607 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.510 -2.851 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.891 0.678 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.662 -1.042 -0.107 1.00 0.00 H new ATOM 581 N SER A 45 1.922 -2.948 5.434 1.00 0.00 N ATOM 582 CA SER A 45 3.065 -3.826 5.826 1.00 0.00 C ATOM 583 C SER A 45 3.087 -5.040 4.897 1.00 0.00 C ATOM 584 O SER A 45 2.052 -5.541 4.496 1.00 0.00 O ATOM 585 CB SER A 45 2.878 -4.286 7.273 1.00 0.00 C ATOM 586 OG SER A 45 3.517 -5.541 7.452 1.00 0.00 O ATOM 0 H SER A 45 1.009 -3.401 5.478 1.00 0.00 H new ATOM 0 HA SER A 45 4.005 -3.280 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.298 -3.550 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.816 -4.369 7.506 1.00 0.00 H new ATOM 0 HG SER A 45 2.851 -6.214 7.706 1.00 0.00 H new ATOM 592 N LEU A 46 4.253 -5.504 4.531 1.00 0.00 N ATOM 593 CA LEU A 46 4.332 -6.667 3.594 1.00 0.00 C ATOM 594 C LEU A 46 4.483 -7.993 4.345 1.00 0.00 C ATOM 595 O LEU A 46 5.237 -8.100 5.291 1.00 0.00 O ATOM 596 CB LEU A 46 5.535 -6.492 2.665 1.00 0.00 C ATOM 597 CG LEU A 46 5.058 -6.105 1.262 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.913 -5.092 1.362 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.224 -5.484 0.492 1.00 0.00 C ATOM 0 H LEU A 46 5.151 -5.131 4.838 1.00 0.00 H new ATOM 0 HA LEU A 46 3.403 -6.696 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.200 -5.723 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.109 -7.417 2.621 1.00 0.00 H new ATOM 0 HG LEU A 46 4.702 -6.994 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.578 -4.821 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.084 -5.534 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.261 -4.200 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.892 -5.206 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.576 -4.596 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.036 -6.207 0.417 1.00 0.00 H new ATOM 611 N GLU A 47 3.784 -9.014 3.910 1.00 0.00 N ATOM 612 CA GLU A 47 3.903 -10.347 4.577 1.00 0.00 C ATOM 613 C GLU A 47 3.888 -11.439 3.511 1.00 0.00 C ATOM 614 O GLU A 47 3.132 -11.380 2.564 1.00 0.00 O ATOM 615 CB GLU A 47 2.714 -10.588 5.499 1.00 0.00 C ATOM 616 CG GLU A 47 2.943 -9.937 6.863 1.00 0.00 C ATOM 617 CD GLU A 47 3.066 -8.423 6.702 1.00 0.00 C ATOM 618 OE1 GLU A 47 2.359 -7.875 5.873 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.867 -7.837 7.411 1.00 0.00 O ATOM 0 H GLU A 47 3.137 -8.981 3.122 1.00 0.00 H new ATOM 0 HA GLU A 47 4.829 -10.366 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.809 -10.184 5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.557 -11.659 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.116 -10.174 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.848 -10.338 7.320 1.00 0.00 H new ATOM 626 N GLY A 48 4.694 -12.447 3.659 1.00 0.00 N ATOM 627 CA GLY A 48 4.693 -13.543 2.645 1.00 0.00 C ATOM 628 C GLY A 48 5.308 -14.799 3.255 1.00 0.00 C ATOM 629 O GLY A 48 4.683 -15.496 4.030 1.00 0.00 O ATOM 0 H GLY A 48 5.351 -12.564 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.674 -13.747 2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.258 -13.239 1.764 1.00 0.00 H new ATOM 633 N GLY A 49 6.528 -15.097 2.913 1.00 0.00 N ATOM 634 CA GLY A 49 7.175 -16.317 3.485 1.00 0.00 C ATOM 635 C GLY A 49 8.538 -16.537 2.827 1.00 0.00 C ATOM 636 O GLY A 49 8.626 -16.978 1.699 1.00 0.00 O ATOM 0 H GLY A 49 7.105 -14.557 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.295 -16.205 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.538 -17.187 3.324 1.00 0.00 H new ATOM 640 N LYS A 50 9.602 -16.236 3.523 1.00 0.00 N ATOM 641 CA LYS A 50 10.957 -16.429 2.936 1.00 0.00 C ATOM 642 C LYS A 50 11.051 -17.815 2.295 1.00 0.00 C ATOM 643 O LYS A 50 10.196 -18.658 2.481 1.00 0.00 O ATOM 644 CB LYS A 50 12.003 -16.308 4.043 1.00 0.00 C ATOM 645 CG LYS A 50 11.724 -17.351 5.126 1.00 0.00 C ATOM 646 CD LYS A 50 13.012 -17.639 5.900 1.00 0.00 C ATOM 647 CE LYS A 50 13.325 -16.459 6.823 1.00 0.00 C ATOM 648 NZ LYS A 50 13.263 -16.910 8.242 1.00 0.00 N ATOM 0 H LYS A 50 9.590 -15.865 4.473 1.00 0.00 H new ATOM 0 HA LYS A 50 11.135 -15.670 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.002 -16.454 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.979 -15.307 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.952 -16.988 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.346 -18.268 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.902 -18.553 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.837 -17.802 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.315 -16.061 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.611 -15.652 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.476 -16.109 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.310 -17.270 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.960 -17.666 8.397 1.00 0.00 H new ATOM 662 N GLY A 51 12.086 -18.055 1.538 1.00 0.00 N ATOM 663 CA GLY A 51 12.238 -19.384 0.881 1.00 0.00 C ATOM 664 C GLY A 51 13.182 -19.258 -0.316 1.00 0.00 C ATOM 665 O GLY A 51 12.809 -18.769 -1.364 1.00 0.00 O ATOM 0 H GLY A 51 12.833 -17.388 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.631 -20.110 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.266 -19.753 0.554 1.00 0.00 H new ATOM 669 N SER A 52 14.403 -19.693 -0.169 1.00 0.00 N ATOM 670 CA SER A 52 15.371 -19.598 -1.297 1.00 0.00 C ATOM 671 C SER A 52 14.742 -20.174 -2.566 1.00 0.00 C ATOM 672 O SER A 52 14.249 -19.452 -3.410 1.00 0.00 O ATOM 673 CB SER A 52 16.633 -20.386 -0.950 1.00 0.00 C ATOM 674 OG SER A 52 17.358 -19.691 0.056 1.00 0.00 O ATOM 0 H SER A 52 14.772 -20.111 0.685 1.00 0.00 H new ATOM 0 HA SER A 52 15.628 -18.552 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.368 -21.384 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.252 -20.514 -1.838 1.00 0.00 H new ATOM 0 HG SER A 52 18.168 -20.194 0.283 1.00 0.00 H new ATOM 680 N LEU A 53 14.757 -21.471 -2.712 1.00 0.00 N ATOM 681 CA LEU A 53 14.163 -22.089 -3.931 1.00 0.00 C ATOM 682 C LEU A 53 13.197 -23.205 -3.524 1.00 0.00 C ATOM 683 O LEU A 53 12.581 -23.838 -4.358 1.00 0.00 O ATOM 684 CB LEU A 53 15.280 -22.670 -4.801 1.00 0.00 C ATOM 685 CG LEU A 53 16.395 -23.213 -3.906 1.00 0.00 C ATOM 686 CD1 LEU A 53 17.053 -24.419 -4.581 1.00 0.00 C ATOM 687 CD2 LEU A 53 17.442 -22.118 -3.681 1.00 0.00 C ATOM 0 H LEU A 53 15.154 -22.128 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 53 13.619 -21.331 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.886 -23.466 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.675 -21.901 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 53 15.976 -23.520 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.847 -24.805 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.307 -25.197 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.474 -24.115 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.238 -22.502 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.860 -21.812 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.973 -21.260 -3.199 1.00 0.00 H new ATOM 699 N HIS A 54 13.056 -23.448 -2.250 1.00 0.00 N ATOM 700 CA HIS A 54 12.127 -24.520 -1.796 1.00 0.00 C ATOM 701 C HIS A 54 10.866 -23.881 -1.213 1.00 0.00 C ATOM 702 O HIS A 54 10.194 -24.453 -0.379 1.00 0.00 O ATOM 703 CB HIS A 54 12.816 -25.372 -0.729 1.00 0.00 C ATOM 704 CG HIS A 54 14.142 -25.847 -1.257 1.00 0.00 C ATOM 705 ND1 HIS A 54 15.343 -26.091 -0.639 1.00 0.00 N flip ATOM 706 CD2 HIS A 54 14.342 -26.130 -2.598 1.00 0.00 C flip ATOM 707 CE1 HIS A 54 16.276 -26.517 -1.580 1.00 0.00 C flip ATOM 708 NE2 HIS A 54 15.620 -26.523 -2.744 1.00 0.00 N flip ATOM 0 H HIS A 54 13.544 -22.951 -1.505 1.00 0.00 H new ATOM 0 HA HIS A 54 11.855 -25.153 -2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 54 12.961 -24.790 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 54 12.189 -26.224 -0.466 1.00 0.00 H new ATOM 0 HD1 HIS A 54 15.524 -25.977 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.605 -26.050 -3.384 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.308 -26.785 -1.407 1.00 0.00 H new ATOM 716 N GLY A 55 10.544 -22.694 -1.649 1.00 0.00 N ATOM 717 CA GLY A 55 9.325 -22.007 -1.126 1.00 0.00 C ATOM 718 C GLY A 55 9.360 -20.535 -1.545 1.00 0.00 C ATOM 719 O GLY A 55 9.630 -19.664 -0.742 1.00 0.00 O ATOM 0 H GLY A 55 11.072 -22.168 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.427 -22.487 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.285 -22.088 -0.040 1.00 0.00 H new ATOM 723 N ASP A 56 9.092 -20.252 -2.796 1.00 0.00 N ATOM 724 CA ASP A 56 9.114 -18.837 -3.272 1.00 0.00 C ATOM 725 C ASP A 56 8.518 -17.925 -2.198 1.00 0.00 C ATOM 726 O ASP A 56 7.568 -18.280 -1.531 1.00 0.00 O ATOM 727 CB ASP A 56 8.285 -18.722 -4.552 1.00 0.00 C ATOM 728 CG ASP A 56 6.941 -19.427 -4.355 1.00 0.00 C ATOM 729 OD1 ASP A 56 6.116 -18.896 -3.631 1.00 0.00 O ATOM 730 OD2 ASP A 56 6.763 -20.488 -4.930 1.00 0.00 O ATOM 0 H ASP A 56 8.858 -20.943 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 56 10.143 -18.537 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.124 -17.673 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.823 -19.169 -5.388 1.00 0.00 H new ATOM 735 N LYS A 57 9.080 -16.761 -2.011 1.00 0.00 N ATOM 736 CA LYS A 57 8.545 -15.844 -0.963 1.00 0.00 C ATOM 737 C LYS A 57 7.916 -14.602 -1.609 1.00 0.00 C ATOM 738 O LYS A 57 8.560 -13.577 -1.721 1.00 0.00 O ATOM 739 CB LYS A 57 9.689 -15.412 -0.041 1.00 0.00 C ATOM 740 CG LYS A 57 10.770 -14.698 -0.855 1.00 0.00 C ATOM 741 CD LYS A 57 12.109 -15.404 -0.642 1.00 0.00 C ATOM 742 CE LYS A 57 12.972 -15.262 -1.896 1.00 0.00 C ATOM 743 NZ LYS A 57 14.251 -16.003 -1.704 1.00 0.00 N ATOM 0 H LYS A 57 9.881 -16.407 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 57 7.780 -16.368 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.310 -14.750 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.113 -16.282 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.507 -14.702 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.843 -13.654 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.625 -14.974 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.944 -16.458 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.440 -15.652 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.175 -14.209 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.846 -15.893 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.752 -15.622 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.048 -17.012 -1.552 1.00 0.00 H new ATOM 757 N PRO A 58 6.670 -14.722 -2.003 1.00 0.00 N ATOM 758 CA PRO A 58 5.928 -13.612 -2.626 1.00 0.00 C ATOM 759 C PRO A 58 5.392 -12.672 -1.544 1.00 0.00 C ATOM 760 O PRO A 58 4.208 -12.648 -1.271 1.00 0.00 O ATOM 761 CB PRO A 58 4.767 -14.309 -3.335 1.00 0.00 C ATOM 762 CG PRO A 58 4.568 -15.662 -2.612 1.00 0.00 C ATOM 763 CD PRO A 58 5.886 -15.969 -1.873 1.00 0.00 C ATOM 0 HA PRO A 58 6.540 -13.011 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.861 -13.704 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.991 -14.461 -4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.735 -15.607 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.332 -16.451 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.708 -16.221 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.406 -16.816 -2.321 1.00 0.00 H new ATOM 771 N LEU A 59 6.244 -11.905 -0.921 1.00 0.00 N ATOM 772 CA LEU A 59 5.760 -10.980 0.144 1.00 0.00 C ATOM 773 C LEU A 59 4.485 -10.282 -0.344 1.00 0.00 C ATOM 774 O LEU A 59 4.438 -9.758 -1.440 1.00 0.00 O ATOM 775 CB LEU A 59 6.835 -9.934 0.443 1.00 0.00 C ATOM 776 CG LEU A 59 7.601 -10.336 1.702 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.917 -11.006 1.306 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.894 -9.090 2.542 1.00 0.00 C ATOM 0 H LEU A 59 7.248 -11.878 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 59 5.547 -11.543 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.520 -9.849 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.376 -8.955 0.581 1.00 0.00 H new ATOM 0 HG LEU A 59 7.000 -11.033 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.464 -11.293 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.708 -11.894 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.519 -10.309 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.441 -9.377 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.495 -8.391 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.956 -8.613 2.825 1.00 0.00 H new ATOM 790 N THR A 60 3.447 -10.284 0.448 1.00 0.00 N ATOM 791 CA THR A 60 2.173 -9.637 0.014 1.00 0.00 C ATOM 792 C THR A 60 1.693 -8.660 1.110 1.00 0.00 C ATOM 793 O THR A 60 2.059 -8.807 2.256 1.00 0.00 O ATOM 794 CB THR A 60 1.135 -10.735 -0.188 1.00 0.00 C ATOM 795 OG1 THR A 60 1.236 -11.664 0.878 1.00 0.00 O ATOM 796 CG2 THR A 60 1.424 -11.424 -1.513 1.00 0.00 C ATOM 0 H THR A 60 3.425 -10.705 1.377 1.00 0.00 H new ATOM 0 HA THR A 60 2.321 -9.081 -0.912 1.00 0.00 H new ATOM 0 HB THR A 60 0.127 -10.320 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.621 -11.221 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.693 -12.215 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.362 -10.697 -2.322 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.425 -11.855 -1.488 1.00 0.00 H new ATOM 804 N ILE A 61 0.878 -7.665 0.802 1.00 0.00 N ATOM 805 CA ILE A 61 0.429 -6.741 1.885 1.00 0.00 C ATOM 806 C ILE A 61 -0.589 -7.429 2.787 1.00 0.00 C ATOM 807 O ILE A 61 -1.594 -7.952 2.347 1.00 0.00 O ATOM 808 CB ILE A 61 -0.217 -5.502 1.291 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.849 -4.593 0.684 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.936 -4.732 2.391 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.187 -3.311 0.171 1.00 0.00 C ATOM 0 H ILE A 61 0.517 -7.463 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 61 1.307 -6.459 2.466 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.921 -5.810 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.606 -4.352 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.358 -5.105 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.401 -3.842 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.703 -5.365 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.219 -4.437 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.945 -2.659 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.554 -3.563 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.302 -2.798 0.999 1.00 0.00 H new ATOM 823 N ASN A 62 -0.325 -7.400 4.052 1.00 0.00 N ATOM 824 CA ASN A 62 -1.270 -8.024 5.040 1.00 0.00 C ATOM 825 C ASN A 62 -1.883 -6.975 5.976 1.00 0.00 C ATOM 826 O ASN A 62 -3.084 -6.916 6.146 1.00 0.00 O ATOM 827 CB ASN A 62 -0.550 -9.063 5.891 1.00 0.00 C ATOM 828 CG ASN A 62 -0.449 -10.377 5.114 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.343 -10.373 3.903 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.477 -11.508 5.762 1.00 0.00 N ATOM 0 H ASN A 62 0.506 -6.972 4.461 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.064 -8.496 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.446 -8.706 6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.089 -9.221 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.410 -12.389 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.566 -11.512 6.778 1.00 0.00 H new ATOM 837 N ARG A 63 -1.076 -6.172 6.610 1.00 0.00 N ATOM 838 CA ARG A 63 -1.628 -5.163 7.558 1.00 0.00 C ATOM 839 C ARG A 63 -1.698 -3.794 6.889 1.00 0.00 C ATOM 840 O ARG A 63 -0.740 -3.047 6.876 1.00 0.00 O ATOM 841 CB ARG A 63 -0.725 -5.074 8.791 1.00 0.00 C ATOM 842 CG ARG A 63 -1.329 -5.903 9.926 1.00 0.00 C ATOM 843 CD ARG A 63 -1.177 -5.147 11.247 1.00 0.00 C ATOM 844 NE ARG A 63 -2.166 -5.665 12.233 1.00 0.00 N ATOM 845 CZ ARG A 63 -2.891 -4.832 12.930 1.00 0.00 C ATOM 846 NH1 ARG A 63 -4.021 -4.391 12.450 1.00 0.00 N ATOM 847 NH2 ARG A 63 -2.485 -4.439 14.107 1.00 0.00 N ATOM 0 H ARG A 63 -0.061 -6.170 6.514 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.632 -5.469 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.273 -5.439 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.618 -4.035 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.382 -6.099 9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.831 -6.870 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.165 -5.268 11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.332 -4.080 11.087 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.277 -6.670 12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.338 -4.697 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.587 -3.740 12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.601 -4.783 14.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.052 -3.788 14.651 1.00 0.00 H new ATOM 861 N ILE A 64 -2.827 -3.455 6.338 1.00 0.00 N ATOM 862 CA ILE A 64 -2.953 -2.130 5.679 1.00 0.00 C ATOM 863 C ILE A 64 -3.660 -1.150 6.600 1.00 0.00 C ATOM 864 O ILE A 64 -4.574 -1.494 7.324 1.00 0.00 O ATOM 865 CB ILE A 64 -3.742 -2.263 4.383 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.896 -3.078 3.408 1.00 0.00 C ATOM 867 CG2 ILE A 64 -4.032 -0.869 3.811 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.994 -2.520 1.986 1.00 0.00 C ATOM 0 H ILE A 64 -3.665 -4.036 6.316 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.953 -1.758 5.457 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.696 -2.762 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.855 -3.071 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.226 -4.117 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.597 -0.966 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.614 -0.294 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.092 -0.355 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.380 -3.122 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.032 -2.551 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.640 -1.489 1.974 1.00 0.00 H new ATOM 880 N PHE A 65 -3.240 0.074 6.563 1.00 0.00 N ATOM 881 CA PHE A 65 -3.879 1.108 7.424 1.00 0.00 C ATOM 882 C PHE A 65 -4.705 2.053 6.550 1.00 0.00 C ATOM 883 O PHE A 65 -5.834 2.375 6.859 1.00 0.00 O ATOM 884 CB PHE A 65 -2.800 1.907 8.159 1.00 0.00 C ATOM 885 CG PHE A 65 -1.691 0.967 8.606 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.986 -0.372 8.914 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.370 1.429 8.710 1.00 0.00 C ATOM 888 CE1 PHE A 65 -0.962 -1.242 9.323 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.651 0.555 9.121 1.00 0.00 C ATOM 890 CZ PHE A 65 0.352 -0.777 9.426 1.00 0.00 C ATOM 0 H PHE A 65 -2.479 0.410 5.973 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.527 0.622 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.395 2.679 7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.232 2.414 9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.001 -0.732 8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.138 2.457 8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.190 -2.271 9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.667 0.912 9.201 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.138 -1.447 9.742 1.00 0.00 H new ATOM 900 N LYS A 66 -4.149 2.497 5.456 1.00 0.00 N ATOM 901 CA LYS A 66 -4.898 3.418 4.555 1.00 0.00 C ATOM 902 C LYS A 66 -4.969 4.811 5.186 1.00 0.00 C ATOM 903 O LYS A 66 -5.401 4.974 6.310 1.00 0.00 O ATOM 904 CB LYS A 66 -6.316 2.881 4.341 1.00 0.00 C ATOM 905 CG LYS A 66 -6.779 3.211 2.919 1.00 0.00 C ATOM 906 CD LYS A 66 -8.298 3.067 2.829 1.00 0.00 C ATOM 907 CE LYS A 66 -8.906 4.377 2.319 1.00 0.00 C ATOM 908 NZ LYS A 66 -10.359 4.183 2.056 1.00 0.00 N ATOM 0 H LYS A 66 -3.206 2.261 5.147 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.384 3.482 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.336 1.803 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.997 3.323 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.483 4.227 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.297 2.544 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.557 2.248 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.709 2.820 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.762 5.168 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.400 4.694 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.771 5.073 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.486 3.441 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.836 3.900 2.936 1.00 0.00 H new ATOM 922 N GLY A 67 -4.548 5.819 4.468 1.00 0.00 N ATOM 923 CA GLY A 67 -4.590 7.204 5.022 1.00 0.00 C ATOM 924 C GLY A 67 -4.338 8.209 3.896 1.00 0.00 C ATOM 925 O GLY A 67 -5.182 9.022 3.576 1.00 0.00 O ATOM 0 H GLY A 67 -4.177 5.743 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.559 7.394 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.837 7.319 5.802 1.00 0.00 H new ATOM 929 N ALA A 68 -3.184 8.156 3.289 1.00 0.00 N ATOM 930 CA ALA A 68 -2.878 9.103 2.179 1.00 0.00 C ATOM 931 C ALA A 68 -2.677 8.312 0.884 1.00 0.00 C ATOM 932 O ALA A 68 -2.236 7.180 0.901 1.00 0.00 O ATOM 933 CB ALA A 68 -1.603 9.884 2.507 1.00 0.00 C ATOM 0 H ALA A 68 -2.439 7.497 3.514 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.705 9.802 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.381 10.576 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.747 10.444 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.772 9.189 2.629 1.00 0.00 H new ATOM 939 N ALA A 69 -3.002 8.893 -0.238 1.00 0.00 N ATOM 940 CA ALA A 69 -2.832 8.170 -1.527 1.00 0.00 C ATOM 941 C ALA A 69 -2.286 9.131 -2.584 1.00 0.00 C ATOM 942 O ALA A 69 -2.125 10.310 -2.340 1.00 0.00 O ATOM 943 CB ALA A 69 -4.185 7.622 -1.986 1.00 0.00 C ATOM 0 H ALA A 69 -3.378 9.838 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.132 7.345 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.061 7.092 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.574 6.936 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.885 8.447 -2.122 1.00 0.00 H new ATOM 949 N SER A 70 -2.000 8.638 -3.758 1.00 0.00 N ATOM 950 CA SER A 70 -1.464 9.523 -4.832 1.00 0.00 C ATOM 951 C SER A 70 -2.612 9.977 -5.740 1.00 0.00 C ATOM 952 O SER A 70 -3.351 10.885 -5.412 1.00 0.00 O ATOM 953 CB SER A 70 -0.422 8.756 -5.648 1.00 0.00 C ATOM 954 OG SER A 70 -1.060 7.688 -6.337 1.00 0.00 O ATOM 0 H SER A 70 -2.114 7.659 -4.021 1.00 0.00 H new ATOM 0 HA SER A 70 -0.995 10.400 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.064 9.424 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.357 8.367 -4.992 1.00 0.00 H new ATOM 0 HG SER A 70 -0.396 7.195 -6.863 1.00 0.00 H new ATOM 960 N GLU A 71 -2.771 9.356 -6.877 1.00 0.00 N ATOM 961 CA GLU A 71 -3.874 9.757 -7.795 1.00 0.00 C ATOM 962 C GLU A 71 -4.745 8.536 -8.101 1.00 0.00 C ATOM 963 O GLU A 71 -5.289 8.402 -9.179 1.00 0.00 O ATOM 964 CB GLU A 71 -3.289 10.311 -9.098 1.00 0.00 C ATOM 965 CG GLU A 71 -2.542 9.201 -9.840 1.00 0.00 C ATOM 966 CD GLU A 71 -1.044 9.307 -9.548 1.00 0.00 C ATOM 967 OE1 GLU A 71 -0.702 9.643 -8.427 1.00 0.00 O ATOM 968 OE2 GLU A 71 -0.265 9.051 -10.452 1.00 0.00 O ATOM 0 H GLU A 71 -2.186 8.590 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.479 10.529 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.086 10.709 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.611 11.137 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.916 8.226 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.720 9.282 -10.912 1.00 0.00 H new ATOM 975 N GLN A 72 -4.880 7.647 -7.155 1.00 0.00 N ATOM 976 CA GLN A 72 -5.716 6.435 -7.381 1.00 0.00 C ATOM 977 C GLN A 72 -6.677 6.263 -6.203 1.00 0.00 C ATOM 978 O GLN A 72 -6.288 6.340 -5.056 1.00 0.00 O ATOM 979 CB GLN A 72 -4.813 5.202 -7.495 1.00 0.00 C ATOM 980 CG GLN A 72 -5.658 3.932 -7.357 1.00 0.00 C ATOM 981 CD GLN A 72 -5.156 2.870 -8.338 1.00 0.00 C ATOM 982 OE1 GLN A 72 -4.653 3.192 -9.395 1.00 0.00 O ATOM 983 NE2 GLN A 72 -5.274 1.608 -8.028 1.00 0.00 N ATOM 0 H GLN A 72 -4.446 7.708 -6.234 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.285 6.548 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.296 5.205 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.047 5.227 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.600 3.554 -6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.706 4.157 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.697 1.338 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.943 0.891 -8.674 1.00 0.00 H new ATOM 992 N SER A 73 -7.931 6.032 -6.479 1.00 0.00 N ATOM 993 CA SER A 73 -8.914 5.858 -5.374 1.00 0.00 C ATOM 994 C SER A 73 -8.321 4.948 -4.296 1.00 0.00 C ATOM 995 O SER A 73 -8.375 5.246 -3.120 1.00 0.00 O ATOM 996 CB SER A 73 -10.192 5.228 -5.927 1.00 0.00 C ATOM 997 OG SER A 73 -10.958 6.223 -6.593 1.00 0.00 O ATOM 0 H SER A 73 -8.316 5.956 -7.420 1.00 0.00 H new ATOM 0 HA SER A 73 -9.145 6.830 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.944 4.422 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.773 4.787 -5.117 1.00 0.00 H new ATOM 0 HG SER A 73 -11.777 5.821 -6.950 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.760 3.835 -4.685 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.173 2.905 -3.678 1.00 0.00 C ATOM 1005 C GLU A 74 -5.786 2.455 -4.139 1.00 0.00 C ATOM 1006 O GLU A 74 -5.651 1.663 -5.051 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.078 1.681 -3.531 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.327 1.067 -4.909 1.00 0.00 C ATOM 1009 CD GLU A 74 -9.788 1.278 -5.311 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.376 2.238 -4.844 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -10.291 0.477 -6.080 1.00 0.00 O ATOM 0 H GLU A 74 -7.683 3.530 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.088 3.417 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.613 0.948 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.024 1.967 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.667 1.524 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.095 0.002 -4.891 1.00 0.00 H new ATOM 1018 N THR A 75 -4.753 2.952 -3.516 1.00 0.00 N ATOM 1019 CA THR A 75 -3.377 2.551 -3.917 1.00 0.00 C ATOM 1020 C THR A 75 -2.883 1.435 -3.003 1.00 0.00 C ATOM 1021 O THR A 75 -1.699 1.272 -2.783 1.00 0.00 O ATOM 1022 CB THR A 75 -2.446 3.756 -3.804 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.353 4.164 -2.442 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.008 4.900 -4.644 1.00 0.00 C ATOM 0 H THR A 75 -4.804 3.619 -2.746 1.00 0.00 H new ATOM 0 HA THR A 75 -3.387 2.194 -4.947 1.00 0.00 H new ATOM 0 HB THR A 75 -1.453 3.488 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.479 5.134 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.349 5.765 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.078 4.586 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.000 5.167 -4.278 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.784 0.664 -2.477 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.381 -0.455 -1.578 1.00 0.00 C ATOM 1034 C VAL A 76 -4.298 -1.654 -1.819 1.00 0.00 C ATOM 1035 O VAL A 76 -5.434 -1.509 -2.228 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.490 -0.018 -0.113 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.153 0.566 0.348 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.585 1.041 0.029 1.00 0.00 C ATOM 0 H VAL A 76 -4.788 0.757 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.348 -0.731 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.741 -0.882 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.231 0.877 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.373 -0.190 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.900 1.428 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.660 1.349 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.338 1.905 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.539 0.624 -0.295 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.813 -2.838 -1.572 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.653 -4.048 -1.788 1.00 0.00 C ATOM 1050 C GLN A 77 -4.249 -5.124 -0.773 1.00 0.00 C ATOM 1051 O GLN A 77 -3.074 -5.321 -0.526 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.431 -4.569 -3.209 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.982 -4.310 -3.625 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.818 -2.847 -4.044 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -1.884 -2.188 -3.630 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -3.688 -2.309 -4.853 1.00 0.00 N ATOM 0 H GLN A 77 -2.870 -3.020 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.706 -3.800 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.649 -5.636 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.113 -4.074 -3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.310 -4.539 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.708 -4.967 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.472 -2.862 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.585 -1.335 -5.138 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.226 -5.782 -0.200 1.00 0.00 N ATOM 1066 CA PRO A 78 -4.986 -6.828 0.808 1.00 0.00 C ATOM 1067 C PRO A 78 -4.624 -8.162 0.147 1.00 0.00 C ATOM 1068 O PRO A 78 -5.405 -8.737 -0.586 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.328 -6.940 1.534 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.400 -6.397 0.557 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.657 -5.547 -0.492 1.00 0.00 C ATOM 0 HA PRO A 78 -4.155 -6.587 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.538 -7.975 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.318 -6.364 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.938 -7.216 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.139 -5.797 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.912 -5.853 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.914 -4.491 -0.404 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.457 -8.674 0.428 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.061 -10.000 -0.161 1.00 0.00 C ATOM 1081 C GLY A 79 -2.497 -9.856 -1.585 1.00 0.00 C ATOM 1082 O GLY A 79 -2.380 -10.835 -2.296 1.00 0.00 O ATOM 0 H GLY A 79 -2.760 -8.241 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.314 -10.471 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.928 -10.661 -0.180 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.126 -8.679 -2.023 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.565 -8.580 -3.406 1.00 0.00 C ATOM 1088 C ASP A 80 -0.110 -9.061 -3.375 1.00 0.00 C ATOM 1089 O ASP A 80 0.541 -9.002 -2.350 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.617 -7.136 -3.922 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.406 -7.103 -5.232 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -1.828 -7.425 -6.258 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -3.574 -6.754 -5.189 1.00 0.00 O ATOM 0 H ASP A 80 -2.184 -7.805 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.161 -9.199 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.088 -6.489 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.608 -6.756 -4.081 1.00 0.00 H new ATOM 1098 N GLU A 81 0.414 -9.542 -4.474 1.00 0.00 N ATOM 1099 CA GLU A 81 1.836 -10.027 -4.448 1.00 0.00 C ATOM 1100 C GLU A 81 2.788 -8.879 -4.802 1.00 0.00 C ATOM 1101 O GLU A 81 3.540 -8.958 -5.753 1.00 0.00 O ATOM 1102 CB GLU A 81 2.036 -11.183 -5.447 1.00 0.00 C ATOM 1103 CG GLU A 81 3.420 -11.799 -5.238 1.00 0.00 C ATOM 1104 CD GLU A 81 3.495 -13.142 -5.965 1.00 0.00 C ATOM 1105 OE1 GLU A 81 2.959 -14.108 -5.444 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.084 -13.183 -7.033 1.00 0.00 O ATOM 0 H GLU A 81 -0.065 -9.621 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 81 2.055 -10.387 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.264 -11.939 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.939 -10.816 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.190 -11.126 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.611 -11.938 -4.174 1.00 0.00 H new ATOM 1113 N ILE A 82 2.774 -7.819 -4.036 1.00 0.00 N ATOM 1114 CA ILE A 82 3.699 -6.674 -4.327 1.00 0.00 C ATOM 1115 C ILE A 82 5.135 -7.200 -4.471 1.00 0.00 C ATOM 1116 O ILE A 82 5.673 -7.799 -3.561 1.00 0.00 O ATOM 1117 CB ILE A 82 3.635 -5.665 -3.179 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.160 -5.392 -2.829 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.323 -4.372 -3.618 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.006 -3.996 -2.210 1.00 0.00 C ATOM 0 H ILE A 82 2.167 -7.693 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 82 3.397 -6.188 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 82 4.141 -6.060 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.547 -5.468 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.799 -6.148 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.283 -3.645 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.363 -4.580 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.814 -3.968 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.958 -3.819 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.604 -3.933 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.347 -3.243 -2.921 1.00 0.00 H new ATOM 1132 N LEU A 83 5.762 -6.996 -5.609 1.00 0.00 N ATOM 1133 CA LEU A 83 7.159 -7.505 -5.785 1.00 0.00 C ATOM 1134 C LEU A 83 8.176 -6.446 -5.335 1.00 0.00 C ATOM 1135 O LEU A 83 9.097 -6.745 -4.609 1.00 0.00 O ATOM 1136 CB LEU A 83 7.413 -7.852 -7.258 1.00 0.00 C ATOM 1137 CG LEU A 83 6.554 -9.052 -7.691 1.00 0.00 C ATOM 1138 CD1 LEU A 83 6.464 -10.081 -6.560 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.146 -8.576 -8.056 1.00 0.00 C ATOM 0 H LEU A 83 5.371 -6.505 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 83 7.276 -8.400 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.184 -6.990 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.468 -8.082 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 83 7.021 -9.518 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.853 -10.924 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.464 -10.434 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.011 -9.619 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.541 -9.430 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.688 -8.098 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.205 -7.860 -8.876 1.00 0.00 H new ATOM 1151 N GLN A 84 8.029 -5.215 -5.757 1.00 0.00 N ATOM 1152 CA GLN A 84 9.004 -4.164 -5.341 1.00 0.00 C ATOM 1153 C GLN A 84 8.256 -3.037 -4.631 1.00 0.00 C ATOM 1154 O GLN A 84 7.098 -2.785 -4.898 1.00 0.00 O ATOM 1155 CB GLN A 84 9.702 -3.591 -6.574 1.00 0.00 C ATOM 1156 CG GLN A 84 11.098 -4.198 -6.713 1.00 0.00 C ATOM 1157 CD GLN A 84 11.392 -4.464 -8.190 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.200 -5.563 -8.672 1.00 0.00 O ATOM 1159 NE2 GLN A 84 11.853 -3.497 -8.935 1.00 0.00 N ATOM 0 H GLN A 84 7.279 -4.894 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 84 9.743 -4.604 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.114 -3.803 -7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.775 -2.507 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.844 -3.520 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.161 -5.126 -6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.014 -2.574 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.052 -3.664 -9.921 1.00 0.00 H new ATOM 1168 N LEU A 85 8.907 -2.348 -3.738 1.00 0.00 N ATOM 1169 CA LEU A 85 8.226 -1.230 -3.030 1.00 0.00 C ATOM 1170 C LEU A 85 8.938 0.078 -3.372 1.00 0.00 C ATOM 1171 O LEU A 85 9.833 0.109 -4.194 1.00 0.00 O ATOM 1172 CB LEU A 85 8.269 -1.474 -1.521 1.00 0.00 C ATOM 1173 CG LEU A 85 6.862 -1.371 -0.937 1.00 0.00 C ATOM 1174 CD1 LEU A 85 5.996 -2.482 -1.524 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.931 -1.538 0.580 1.00 0.00 C ATOM 0 H LEU A 85 9.877 -2.509 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 85 7.184 -1.170 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.686 -2.460 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.924 -0.745 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 85 6.433 -0.399 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.989 -2.415 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.952 -2.375 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.427 -3.451 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.928 -1.465 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.355 -2.513 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.560 -0.755 1.004 1.00 0.00 H new ATOM 1187 N GLY A 86 8.547 1.160 -2.764 1.00 0.00 N ATOM 1188 CA GLY A 86 9.200 2.459 -3.075 1.00 0.00 C ATOM 1189 C GLY A 86 10.716 2.295 -3.134 1.00 0.00 C ATOM 1190 O GLY A 86 11.394 2.993 -3.862 1.00 0.00 O ATOM 0 H GLY A 86 7.804 1.201 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.832 2.839 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.937 3.196 -2.316 1.00 0.00 H new ATOM 1194 N GLY A 87 11.261 1.384 -2.381 1.00 0.00 N ATOM 1195 CA GLY A 87 12.748 1.199 -2.416 1.00 0.00 C ATOM 1196 C GLY A 87 13.106 -0.173 -1.853 1.00 0.00 C ATOM 1197 O GLY A 87 13.874 -0.288 -0.918 1.00 0.00 O ATOM 0 H GLY A 87 10.755 0.764 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.112 1.290 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.236 1.981 -1.834 1.00 0.00 H new ATOM 1201 N THR A 88 12.567 -1.217 -2.419 1.00 0.00 N ATOM 1202 CA THR A 88 12.888 -2.572 -1.923 1.00 0.00 C ATOM 1203 C THR A 88 12.316 -3.587 -2.900 1.00 0.00 C ATOM 1204 O THR A 88 11.282 -3.373 -3.499 1.00 0.00 O ATOM 1205 CB THR A 88 12.287 -2.790 -0.513 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.105 -3.702 0.199 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.861 -3.352 -0.592 1.00 0.00 C ATOM 0 H THR A 88 11.918 -1.184 -3.205 1.00 0.00 H new ATOM 0 HA THR A 88 13.969 -2.691 -1.849 1.00 0.00 H new ATOM 0 HB THR A 88 12.247 -1.827 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.565 -4.172 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.469 -3.493 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.224 -2.653 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.876 -4.309 -1.113 1.00 0.00 H new ATOM 1215 N ALA A 89 12.955 -4.695 -3.046 1.00 0.00 N ATOM 1216 CA ALA A 89 12.417 -5.723 -3.959 1.00 0.00 C ATOM 1217 C ALA A 89 12.048 -6.968 -3.149 1.00 0.00 C ATOM 1218 O ALA A 89 12.902 -7.690 -2.674 1.00 0.00 O ATOM 1219 CB ALA A 89 13.454 -6.071 -5.010 1.00 0.00 C ATOM 0 H ALA A 89 13.827 -4.937 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 89 11.528 -5.341 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.052 -6.830 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.706 -5.178 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.350 -6.455 -4.523 1.00 0.00 H new ATOM 1225 N MET A 90 10.779 -7.215 -2.980 1.00 0.00 N ATOM 1226 CA MET A 90 10.346 -8.404 -2.194 1.00 0.00 C ATOM 1227 C MET A 90 11.086 -9.643 -2.692 1.00 0.00 C ATOM 1228 O MET A 90 11.261 -10.605 -1.970 1.00 0.00 O ATOM 1229 CB MET A 90 8.838 -8.606 -2.360 1.00 0.00 C ATOM 1230 CG MET A 90 8.089 -7.631 -1.450 1.00 0.00 C ATOM 1231 SD MET A 90 7.561 -6.191 -2.413 1.00 0.00 S ATOM 1232 CE MET A 90 8.643 -4.975 -1.626 1.00 0.00 C ATOM 0 H MET A 90 10.021 -6.643 -3.353 1.00 0.00 H new ATOM 0 HA MET A 90 10.576 -8.245 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.551 -8.444 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.568 -9.632 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.223 -8.123 -1.007 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.732 -7.316 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.047 -4.304 -1.008 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.375 -5.489 -1.003 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.160 -4.398 -2.393 1.00 0.00 H new ATOM 1242 N GLN A 91 11.532 -9.627 -3.917 1.00 0.00 N ATOM 1243 CA GLN A 91 12.270 -10.807 -4.448 1.00 0.00 C ATOM 1244 C GLN A 91 13.630 -10.885 -3.721 1.00 0.00 C ATOM 1245 O GLN A 91 14.117 -9.879 -3.245 1.00 0.00 O ATOM 1246 CB GLN A 91 12.476 -10.633 -5.964 1.00 0.00 C ATOM 1247 CG GLN A 91 11.229 -11.113 -6.720 1.00 0.00 C ATOM 1248 CD GLN A 91 11.063 -10.290 -7.998 1.00 0.00 C ATOM 1249 OE1 GLN A 91 11.500 -9.158 -8.067 1.00 0.00 O ATOM 1250 NE2 GLN A 91 10.446 -10.813 -9.023 1.00 0.00 N ATOM 0 H GLN A 91 11.418 -8.852 -4.571 1.00 0.00 H new ATOM 0 HA GLN A 91 11.711 -11.727 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.671 -9.586 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.349 -11.199 -6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.323 -12.171 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.346 -11.009 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.079 -11.763 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.331 -10.272 -9.880 1.00 0.00 H new ATOM 1259 N GLY A 92 14.258 -12.048 -3.610 1.00 0.00 N ATOM 1260 CA GLY A 92 15.565 -12.102 -2.890 1.00 0.00 C ATOM 1261 C GLY A 92 15.473 -11.263 -1.610 1.00 0.00 C ATOM 1262 O GLY A 92 16.410 -10.592 -1.228 1.00 0.00 O ATOM 0 H GLY A 92 13.922 -12.937 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.816 -13.134 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.362 -11.724 -3.530 1.00 0.00 H new ATOM 1266 N LEU A 93 14.344 -11.296 -0.948 1.00 0.00 N ATOM 1267 CA LEU A 93 14.177 -10.507 0.296 1.00 0.00 C ATOM 1268 C LEU A 93 13.240 -11.266 1.233 1.00 0.00 C ATOM 1269 O LEU A 93 12.162 -11.678 0.852 1.00 0.00 O ATOM 1270 CB LEU A 93 13.561 -9.142 -0.038 1.00 0.00 C ATOM 1271 CG LEU A 93 14.375 -8.018 0.615 1.00 0.00 C ATOM 1272 CD1 LEU A 93 14.788 -8.426 2.033 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.625 -7.741 -0.224 1.00 0.00 C ATOM 0 H LEU A 93 13.528 -11.842 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 93 15.146 -10.357 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.535 -9.001 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.530 -9.105 0.313 1.00 0.00 H new ATOM 0 HG LEU A 93 13.764 -7.117 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.366 -7.622 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.897 -8.617 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.396 -9.330 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.204 -6.942 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.233 -8.644 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.329 -7.439 -1.229 1.00 0.00 H new ATOM 1285 N THR A 94 13.639 -11.452 2.455 1.00 0.00 N ATOM 1286 CA THR A 94 12.769 -12.184 3.416 1.00 0.00 C ATOM 1287 C THR A 94 11.594 -11.285 3.802 1.00 0.00 C ATOM 1288 O THR A 94 11.524 -10.144 3.400 1.00 0.00 O ATOM 1289 CB THR A 94 13.577 -12.558 4.659 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.782 -11.807 4.679 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.907 -14.051 4.616 1.00 0.00 C ATOM 0 H THR A 94 14.530 -11.130 2.833 1.00 0.00 H new ATOM 0 HA THR A 94 12.392 -13.098 2.957 1.00 0.00 H new ATOM 0 HB THR A 94 12.996 -12.339 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.446 -12.239 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.483 -14.322 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.982 -14.628 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.491 -14.269 3.722 1.00 0.00 H new ATOM 1299 N ARG A 95 10.658 -11.785 4.562 1.00 0.00 N ATOM 1300 CA ARG A 95 9.487 -10.922 4.931 1.00 0.00 C ATOM 1301 C ARG A 95 9.958 -9.717 5.746 1.00 0.00 C ATOM 1302 O ARG A 95 9.735 -8.584 5.368 1.00 0.00 O ATOM 1303 CB ARG A 95 8.424 -11.702 5.734 1.00 0.00 C ATOM 1304 CG ARG A 95 7.154 -10.852 5.841 1.00 0.00 C ATOM 1305 CD ARG A 95 7.281 -9.881 7.016 1.00 0.00 C ATOM 1306 NE ARG A 95 6.253 -10.208 8.046 1.00 0.00 N ATOM 1307 CZ ARG A 95 5.928 -9.321 8.947 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.743 -8.340 9.221 1.00 0.00 N ATOM 1309 NH2 ARG A 95 4.787 -9.416 9.575 1.00 0.00 N ATOM 0 H ARG A 95 10.647 -12.733 4.939 1.00 0.00 H new ATOM 0 HA ARG A 95 9.027 -10.586 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.202 -12.650 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.803 -11.939 6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.996 -10.299 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.285 -11.495 5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.279 -9.947 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.151 -8.856 6.670 1.00 0.00 H new ATOM 0 HE ARG A 95 5.804 -11.124 8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.635 -8.266 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.489 -7.647 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.150 -10.183 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.533 -8.723 10.279 1.00 0.00 H new ATOM 1323 N PHE A 96 10.603 -9.934 6.857 1.00 0.00 N ATOM 1324 CA PHE A 96 11.068 -8.773 7.663 1.00 0.00 C ATOM 1325 C PHE A 96 12.116 -8.002 6.869 1.00 0.00 C ATOM 1326 O PHE A 96 12.012 -6.804 6.688 1.00 0.00 O ATOM 1327 CB PHE A 96 11.681 -9.259 8.978 1.00 0.00 C ATOM 1328 CG PHE A 96 10.867 -10.406 9.524 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.544 -10.196 9.931 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.437 -11.681 9.628 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.791 -11.260 10.441 1.00 0.00 C ATOM 1332 CE2 PHE A 96 10.684 -12.746 10.138 1.00 0.00 C ATOM 1333 CZ PHE A 96 9.362 -12.535 10.545 1.00 0.00 C ATOM 0 H PHE A 96 10.826 -10.853 7.238 1.00 0.00 H new ATOM 0 HA PHE A 96 10.220 -8.126 7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.711 -9.576 8.815 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.709 -8.444 9.701 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.104 -9.213 9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.458 -11.843 9.315 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.770 -11.098 10.754 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.123 -13.729 10.217 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.781 -13.356 10.940 1.00 0.00 H new ATOM 1343 N GLU A 97 13.125 -8.671 6.389 1.00 0.00 N ATOM 1344 CA GLU A 97 14.162 -7.954 5.608 1.00 0.00 C ATOM 1345 C GLU A 97 13.479 -7.076 4.563 1.00 0.00 C ATOM 1346 O GLU A 97 13.791 -5.912 4.431 1.00 0.00 O ATOM 1347 CB GLU A 97 15.094 -8.953 4.926 1.00 0.00 C ATOM 1348 CG GLU A 97 15.742 -9.842 5.987 1.00 0.00 C ATOM 1349 CD GLU A 97 16.428 -8.969 7.041 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.164 -8.076 6.656 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.204 -9.209 8.216 1.00 0.00 O ATOM 0 H GLU A 97 13.274 -9.674 6.503 1.00 0.00 H new ATOM 0 HA GLU A 97 14.756 -7.331 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.536 -9.563 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.861 -8.425 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.988 -10.472 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.469 -10.508 5.523 1.00 0.00 H new ATOM 1358 N ALA A 98 12.542 -7.611 3.824 1.00 0.00 N ATOM 1359 CA ALA A 98 11.858 -6.778 2.796 1.00 0.00 C ATOM 1360 C ALA A 98 11.188 -5.575 3.458 1.00 0.00 C ATOM 1361 O ALA A 98 11.596 -4.447 3.274 1.00 0.00 O ATOM 1362 CB ALA A 98 10.802 -7.610 2.065 1.00 0.00 C ATOM 0 H ALA A 98 12.225 -8.578 3.888 1.00 0.00 H new ATOM 0 HA ALA A 98 12.601 -6.428 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.307 -6.993 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.281 -8.459 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.064 -7.972 2.781 1.00 0.00 H new ATOM 1368 N TRP A 99 10.158 -5.804 4.216 1.00 0.00 N ATOM 1369 CA TRP A 99 9.447 -4.661 4.877 1.00 0.00 C ATOM 1370 C TRP A 99 10.439 -3.782 5.659 1.00 0.00 C ATOM 1371 O TRP A 99 10.143 -2.648 5.982 1.00 0.00 O ATOM 1372 CB TRP A 99 8.378 -5.224 5.822 1.00 0.00 C ATOM 1373 CG TRP A 99 7.588 -4.116 6.440 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.238 -4.057 7.745 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.032 -2.925 5.811 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.503 -2.906 7.958 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.351 -2.175 6.798 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.053 -2.423 4.496 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.712 -0.976 6.493 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.412 -1.216 4.187 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.742 -0.493 5.184 1.00 0.00 C ATOM 0 H TRP A 99 9.772 -6.728 4.411 1.00 0.00 H new ATOM 0 HA TRP A 99 8.977 -4.039 4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.713 -5.890 5.272 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.852 -5.820 6.602 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.491 -4.789 8.497 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.120 -2.631 8.862 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.566 -2.972 3.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.196 -0.423 7.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.434 -0.840 3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.250 0.437 4.939 1.00 0.00 H new ATOM 1392 N ASN A 100 11.610 -4.282 5.970 1.00 0.00 N ATOM 1393 CA ASN A 100 12.595 -3.453 6.731 1.00 0.00 C ATOM 1394 C ASN A 100 13.314 -2.465 5.791 1.00 0.00 C ATOM 1395 O ASN A 100 13.431 -1.295 6.096 1.00 0.00 O ATOM 1396 CB ASN A 100 13.623 -4.365 7.412 1.00 0.00 C ATOM 1397 CG ASN A 100 13.063 -4.853 8.752 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.869 -5.378 8.792 1.00 0.00 O flip ATOM 1399 ND2 ASN A 100 13.718 -4.752 9.769 1.00 0.00 N flip ATOM 0 H ASN A 100 11.925 -5.222 5.731 1.00 0.00 H new ATOM 0 HA ASN A 100 12.058 -2.882 7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.852 -5.215 6.770 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.556 -3.824 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.651 -4.341 9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.335 -5.078 10.657 1.00 0.00 H new ATOM 1406 N ILE A 101 13.797 -2.913 4.654 1.00 0.00 N ATOM 1407 CA ILE A 101 14.498 -1.981 3.724 1.00 0.00 C ATOM 1408 C ILE A 101 13.596 -0.794 3.409 1.00 0.00 C ATOM 1409 O ILE A 101 14.035 0.337 3.347 1.00 0.00 O ATOM 1410 CB ILE A 101 14.806 -2.708 2.418 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.862 -3.773 2.656 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.289 -1.711 1.367 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.193 -5.129 2.483 1.00 0.00 C ATOM 0 H ILE A 101 13.734 -3.880 4.335 1.00 0.00 H new ATOM 0 HA ILE A 101 15.419 -1.636 4.194 1.00 0.00 H new ATOM 0 HB ILE A 101 13.898 -3.188 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.686 -3.660 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.283 -3.678 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.507 -2.238 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.513 -0.966 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.192 -1.216 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.925 -5.920 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.382 -5.229 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.792 -5.211 1.473 1.00 0.00 H new ATOM 1425 N ILE A 102 12.337 -1.045 3.199 1.00 0.00 N ATOM 1426 CA ILE A 102 11.403 0.066 2.874 1.00 0.00 C ATOM 1427 C ILE A 102 11.382 1.061 4.030 1.00 0.00 C ATOM 1428 O ILE A 102 11.652 2.229 3.867 1.00 0.00 O ATOM 1429 CB ILE A 102 10.014 -0.512 2.698 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.930 -1.273 1.404 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.955 0.590 2.721 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.687 -2.731 1.775 1.00 0.00 C ATOM 0 H ILE A 102 11.913 -1.972 3.238 1.00 0.00 H new ATOM 0 HA ILE A 102 11.724 0.571 1.963 1.00 0.00 H new ATOM 0 HB ILE A 102 9.822 -1.191 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.121 -0.891 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.851 -1.167 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.967 0.148 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.997 1.115 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.145 1.294 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.618 -3.331 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.513 -3.093 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.756 -2.813 2.336 1.00 0.00 H new ATOM 1444 N LYS A 103 11.051 0.599 5.196 1.00 0.00 N ATOM 1445 CA LYS A 103 11.002 1.514 6.375 1.00 0.00 C ATOM 1446 C LYS A 103 12.227 2.426 6.359 1.00 0.00 C ATOM 1447 O LYS A 103 12.205 3.531 6.864 1.00 0.00 O ATOM 1448 CB LYS A 103 11.006 0.693 7.665 1.00 0.00 C ATOM 1449 CG LYS A 103 9.722 -0.129 7.754 1.00 0.00 C ATOM 1450 CD LYS A 103 9.008 0.182 9.071 1.00 0.00 C ATOM 1451 CE LYS A 103 9.197 -0.986 10.040 1.00 0.00 C ATOM 1452 NZ LYS A 103 10.558 -0.915 10.644 1.00 0.00 N ATOM 0 H LYS A 103 10.811 -0.373 5.390 1.00 0.00 H new ATOM 0 HA LYS A 103 10.093 2.114 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.874 0.034 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.087 1.354 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.070 0.102 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.954 -1.193 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.407 1.098 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.946 0.351 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.438 -0.950 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.069 -1.933 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.687 -1.709 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.275 -0.969 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.663 -0.017 11.159 1.00 0.00 H new ATOM 1466 N ALA A 104 13.298 1.957 5.796 1.00 0.00 N ATOM 1467 CA ALA A 104 14.547 2.772 5.752 1.00 0.00 C ATOM 1468 C ALA A 104 14.561 3.697 4.526 1.00 0.00 C ATOM 1469 O ALA A 104 15.485 4.462 4.334 1.00 0.00 O ATOM 1470 CB ALA A 104 15.752 1.836 5.679 1.00 0.00 C ATOM 0 H ALA A 104 13.368 1.038 5.360 1.00 0.00 H new ATOM 0 HA ALA A 104 14.590 3.386 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.669 2.425 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.766 1.191 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.683 1.223 4.780 1.00 0.00 H new ATOM 1476 N LEU A 105 13.560 3.636 3.692 1.00 0.00 N ATOM 1477 CA LEU A 105 13.548 4.514 2.487 1.00 0.00 C ATOM 1478 C LEU A 105 13.335 5.971 2.926 1.00 0.00 C ATOM 1479 O LEU A 105 13.142 6.233 4.097 1.00 0.00 O ATOM 1480 CB LEU A 105 12.421 4.043 1.544 1.00 0.00 C ATOM 1481 CG LEU A 105 11.062 4.636 1.955 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.476 5.437 0.790 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.100 3.499 2.302 1.00 0.00 C ATOM 0 H LEU A 105 12.753 3.020 3.791 1.00 0.00 H new ATOM 0 HA LEU A 105 14.497 4.454 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.654 4.337 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.364 2.955 1.558 1.00 0.00 H new ATOM 0 HG LEU A 105 11.201 5.288 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.514 5.856 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.158 6.245 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.339 4.781 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.136 3.915 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.969 2.855 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.508 2.916 3.127 1.00 0.00 H new ATOM 1495 N PRO A 106 13.369 6.875 1.980 1.00 0.00 N ATOM 1496 CA PRO A 106 13.179 8.310 2.253 1.00 0.00 C ATOM 1497 C PRO A 106 11.690 8.643 2.387 1.00 0.00 C ATOM 1498 O PRO A 106 10.833 7.882 1.987 1.00 0.00 O ATOM 1499 CB PRO A 106 13.779 8.990 1.022 1.00 0.00 C ATOM 1500 CG PRO A 106 13.758 7.940 -0.115 1.00 0.00 C ATOM 1501 CD PRO A 106 13.618 6.560 0.557 1.00 0.00 C ATOM 0 HA PRO A 106 13.644 8.632 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.201 9.872 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.797 9.325 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.927 8.124 -0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.673 7.991 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.796 5.988 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.521 5.963 0.433 1.00 0.00 H new ATOM 1509 N ASP A 107 11.376 9.779 2.943 1.00 0.00 N ATOM 1510 CA ASP A 107 9.944 10.160 3.094 1.00 0.00 C ATOM 1511 C ASP A 107 9.478 10.868 1.821 1.00 0.00 C ATOM 1512 O ASP A 107 9.424 12.079 1.758 1.00 0.00 O ATOM 1513 CB ASP A 107 9.789 11.103 4.288 1.00 0.00 C ATOM 1514 CG ASP A 107 9.521 10.285 5.552 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.435 9.618 6.006 1.00 0.00 O ATOM 1516 OD2 ASP A 107 8.405 10.338 6.043 1.00 0.00 O ATOM 0 H ASP A 107 12.047 10.459 3.299 1.00 0.00 H new ATOM 0 HA ASP A 107 9.342 9.267 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.692 11.700 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.969 11.799 4.111 1.00 0.00 H new ATOM 1521 N GLY A 108 9.145 10.120 0.806 1.00 0.00 N ATOM 1522 CA GLY A 108 8.687 10.757 -0.465 1.00 0.00 C ATOM 1523 C GLY A 108 7.711 9.816 -1.183 1.00 0.00 C ATOM 1524 O GLY A 108 6.869 9.209 -0.555 1.00 0.00 O ATOM 0 H GLY A 108 9.169 9.100 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.202 11.710 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.542 10.971 -1.106 1.00 0.00 H new ATOM 1528 N PRO A 109 7.853 9.728 -2.481 1.00 0.00 N ATOM 1529 CA PRO A 109 6.995 8.870 -3.317 1.00 0.00 C ATOM 1530 C PRO A 109 7.430 7.408 -3.223 1.00 0.00 C ATOM 1531 O PRO A 109 8.340 6.975 -3.903 1.00 0.00 O ATOM 1532 CB PRO A 109 7.217 9.409 -4.731 1.00 0.00 C ATOM 1533 CG PRO A 109 8.580 10.140 -4.712 1.00 0.00 C ATOM 1534 CD PRO A 109 8.881 10.473 -3.240 1.00 0.00 C ATOM 0 HA PRO A 109 5.949 8.893 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.222 8.598 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.415 10.090 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.363 9.510 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.541 11.048 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.887 10.161 -2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.815 11.545 -3.053 1.00 0.00 H new ATOM 1542 N VAL A 110 6.764 6.633 -2.412 1.00 0.00 N ATOM 1543 CA VAL A 110 7.116 5.199 -2.310 1.00 0.00 C ATOM 1544 C VAL A 110 6.330 4.493 -3.391 1.00 0.00 C ATOM 1545 O VAL A 110 5.133 4.326 -3.300 1.00 0.00 O ATOM 1546 CB VAL A 110 6.732 4.656 -0.936 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.468 5.339 -0.445 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.473 3.147 -0.995 1.00 0.00 C ATOM 0 H VAL A 110 5.992 6.936 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 110 8.188 5.044 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 110 7.561 4.854 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.200 4.947 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.640 6.413 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.656 5.149 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.201 2.785 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.659 2.945 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.375 2.636 -1.333 1.00 0.00 H new ATOM 1558 N THR A 111 6.995 4.120 -4.429 1.00 0.00 N ATOM 1559 CA THR A 111 6.290 3.470 -5.556 1.00 0.00 C ATOM 1560 C THR A 111 6.226 1.962 -5.348 1.00 0.00 C ATOM 1561 O THR A 111 7.219 1.302 -5.112 1.00 0.00 O ATOM 1562 CB THR A 111 7.025 3.775 -6.863 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.613 5.066 -6.782 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.037 3.735 -8.029 1.00 0.00 C ATOM 0 H THR A 111 8.001 4.235 -4.551 1.00 0.00 H new ATOM 0 HA THR A 111 5.273 3.860 -5.605 1.00 0.00 H new ATOM 0 HB THR A 111 7.803 3.029 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.086 5.263 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.563 3.953 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.586 2.744 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.257 4.480 -7.871 1.00 0.00 H new ATOM 1572 N ILE A 112 5.050 1.423 -5.446 1.00 0.00 N ATOM 1573 CA ILE A 112 4.856 -0.030 -5.275 1.00 0.00 C ATOM 1574 C ILE A 112 4.517 -0.643 -6.630 1.00 0.00 C ATOM 1575 O ILE A 112 3.990 0.015 -7.505 1.00 0.00 O ATOM 1576 CB ILE A 112 3.696 -0.274 -4.308 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.703 0.887 -4.381 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.222 -0.398 -2.880 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.518 0.593 -3.469 1.00 0.00 C ATOM 0 H ILE A 112 4.196 1.945 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 112 5.764 -0.483 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 112 3.195 -1.200 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.188 1.815 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.362 1.025 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.389 -0.572 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.919 -1.234 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.734 0.523 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.808 1.418 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.029 -0.326 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.868 0.476 -2.443 1.00 0.00 H new ATOM 1591 N VAL A 113 4.789 -1.901 -6.807 1.00 0.00 N ATOM 1592 CA VAL A 113 4.456 -2.554 -8.095 1.00 0.00 C ATOM 1593 C VAL A 113 3.844 -3.899 -7.761 1.00 0.00 C ATOM 1594 O VAL A 113 4.526 -4.818 -7.351 1.00 0.00 O ATOM 1595 CB VAL A 113 5.714 -2.761 -8.940 1.00 0.00 C ATOM 1596 CG1 VAL A 113 5.374 -2.557 -10.418 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.796 -1.758 -8.523 1.00 0.00 C ATOM 0 H VAL A 113 5.229 -2.506 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 113 3.769 -1.932 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 113 6.086 -3.774 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.270 -2.704 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.612 -3.276 -10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.998 -1.545 -10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.688 -1.912 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.428 -0.743 -8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.042 -1.905 -7.471 1.00 0.00 H new ATOM 1607 N ILE A 114 2.562 -4.016 -7.880 1.00 0.00 N ATOM 1608 CA ILE A 114 1.920 -5.293 -7.509 1.00 0.00 C ATOM 1609 C ILE A 114 1.392 -6.035 -8.725 1.00 0.00 C ATOM 1610 O ILE A 114 1.404 -5.557 -9.842 1.00 0.00 O ATOM 1611 CB ILE A 114 0.770 -5.006 -6.547 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.458 -4.569 -7.345 1.00 0.00 C ATOM 1613 CG2 ILE A 114 1.173 -3.885 -5.589 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.603 -4.295 -6.386 1.00 0.00 C ATOM 0 H ILE A 114 1.933 -3.287 -8.216 1.00 0.00 H new ATOM 0 HA ILE A 114 2.669 -5.928 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 114 0.539 -5.906 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.231 -3.674 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.741 -5.346 -8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.352 -3.680 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.053 -4.190 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.403 -2.985 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.482 -3.983 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.834 -5.201 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.316 -3.504 -5.693 1.00 0.00 H new ATOM 1626 N ARG A 115 0.908 -7.207 -8.473 1.00 0.00 N ATOM 1627 CA ARG A 115 0.331 -8.055 -9.540 1.00 0.00 C ATOM 1628 C ARG A 115 -0.706 -8.953 -8.873 1.00 0.00 C ATOM 1629 O ARG A 115 -0.396 -9.677 -7.949 1.00 0.00 O ATOM 1630 CB ARG A 115 1.437 -8.905 -10.169 1.00 0.00 C ATOM 1631 CG ARG A 115 0.823 -10.008 -11.033 1.00 0.00 C ATOM 1632 CD ARG A 115 1.943 -10.879 -11.606 1.00 0.00 C ATOM 1633 NE ARG A 115 1.372 -12.154 -12.123 1.00 0.00 N ATOM 1634 CZ ARG A 115 2.056 -12.877 -12.968 1.00 0.00 C ATOM 1635 NH1 ARG A 115 2.171 -12.497 -14.211 1.00 0.00 N ATOM 1636 NH2 ARG A 115 2.623 -13.982 -12.569 1.00 0.00 N ATOM 0 H ARG A 115 0.887 -7.627 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.125 -7.454 -10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.089 -8.277 -10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.056 -9.346 -9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.141 -10.616 -10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.237 -9.570 -11.841 1.00 0.00 H new ATOM 0 HD2 ARG A 115 2.456 -10.348 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.685 -11.088 -10.835 1.00 0.00 H new ATOM 0 HE ARG A 115 0.449 -12.462 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.726 -11.634 -14.524 1.00 0.00 H new ATOM 0 HH12 ARG A 115 2.706 -13.063 -14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.532 -14.280 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.158 -14.548 -13.228 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.927 -8.921 -9.308 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.944 -9.791 -8.651 1.00 0.00 C ATOM 1652 C ARG A 116 -3.592 -10.693 -9.702 1.00 0.00 C ATOM 1653 O ARG A 116 -4.391 -10.252 -10.506 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.025 -8.945 -7.956 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.098 -7.540 -8.563 1.00 0.00 C ATOM 1656 CD ARG A 116 -4.689 -7.622 -9.972 1.00 0.00 C ATOM 1657 NE ARG A 116 -5.961 -8.400 -9.933 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.095 -7.793 -9.706 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -7.288 -7.167 -8.576 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.038 -7.815 -10.609 1.00 0.00 N ATOM 0 H ARG A 116 -2.267 -8.343 -10.076 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.447 -10.399 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.993 -9.437 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.807 -8.874 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.712 -6.893 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.103 -7.096 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.875 -6.620 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.979 -8.098 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.945 -9.409 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.553 -7.152 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.174 -6.693 -8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.889 -8.306 -11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.924 -7.341 -10.433 1.00 0.00 H new ATOM 1674 N LYS A 117 -3.250 -11.952 -9.709 1.00 0.00 N ATOM 1675 CA LYS A 117 -3.842 -12.878 -10.715 1.00 0.00 C ATOM 1676 C LYS A 117 -5.340 -13.044 -10.451 1.00 0.00 C ATOM 1677 O LYS A 117 -5.765 -13.974 -9.794 1.00 0.00 O ATOM 1678 CB LYS A 117 -3.154 -14.241 -10.620 1.00 0.00 C ATOM 1679 CG LYS A 117 -1.787 -14.169 -11.303 1.00 0.00 C ATOM 1680 CD LYS A 117 -1.781 -15.080 -12.532 1.00 0.00 C ATOM 1681 CE LYS A 117 -1.509 -16.522 -12.100 1.00 0.00 C ATOM 1682 NZ LYS A 117 -0.371 -17.071 -12.889 1.00 0.00 N ATOM 0 H LYS A 117 -2.587 -12.379 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.697 -12.464 -11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.036 -14.529 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.770 -15.005 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.570 -13.142 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.005 -14.474 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -2.739 -15.019 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.018 -14.751 -13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.277 -16.556 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.399 -17.133 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.186 -18.051 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.609 -17.052 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.478 -16.494 -12.722 1.00 0.00 H new ATOM 1696 N SER A 118 -6.145 -12.152 -10.965 1.00 0.00 N ATOM 1697 CA SER A 118 -7.617 -12.261 -10.750 1.00 0.00 C ATOM 1698 C SER A 118 -7.923 -12.218 -9.252 1.00 0.00 C ATOM 1699 O SER A 118 -7.438 -13.026 -8.484 1.00 0.00 O ATOM 1700 CB SER A 118 -8.119 -13.581 -11.337 1.00 0.00 C ATOM 1701 OG SER A 118 -7.192 -14.043 -12.312 1.00 0.00 O ATOM 0 H SER A 118 -5.846 -11.353 -11.524 1.00 0.00 H new ATOM 0 HA SER A 118 -8.118 -11.428 -11.243 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.234 -14.323 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.101 -13.441 -11.789 1.00 0.00 H new ATOM 0 HG SER A 118 -7.509 -14.890 -12.690 1.00 0.00 H new ATOM 1707 N LEU A 119 -8.728 -11.281 -8.828 1.00 0.00 N ATOM 1708 CA LEU A 119 -9.066 -11.187 -7.384 1.00 0.00 C ATOM 1709 C LEU A 119 -10.582 -11.290 -7.205 1.00 0.00 C ATOM 1710 O LEU A 119 -11.344 -10.655 -7.906 1.00 0.00 O ATOM 1711 CB LEU A 119 -8.578 -9.845 -6.834 1.00 0.00 C ATOM 1712 CG LEU A 119 -8.984 -9.717 -5.365 1.00 0.00 C ATOM 1713 CD1 LEU A 119 -8.282 -10.800 -4.544 1.00 0.00 C ATOM 1714 CD2 LEU A 119 -8.573 -8.340 -4.843 1.00 0.00 C ATOM 0 H LEU A 119 -9.165 -10.577 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.582 -12.001 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.495 -9.773 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.005 -9.026 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.064 -9.835 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.572 -10.708 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.571 -11.783 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.202 -10.682 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.862 -8.247 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.493 -8.224 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.071 -7.566 -5.427 1.00 0.00 H new ATOM 1726 N GLN A 120 -11.027 -12.084 -6.270 1.00 0.00 N ATOM 1727 CA GLN A 120 -12.492 -12.225 -6.046 1.00 0.00 C ATOM 1728 C GLN A 120 -13.042 -10.925 -5.460 1.00 0.00 C ATOM 1729 O GLN A 120 -13.393 -10.007 -6.175 1.00 0.00 O ATOM 1730 CB GLN A 120 -12.750 -13.378 -5.075 1.00 0.00 C ATOM 1731 CG GLN A 120 -12.364 -14.699 -5.742 1.00 0.00 C ATOM 1732 CD GLN A 120 -11.635 -15.586 -4.731 1.00 0.00 C ATOM 1733 OE1 GLN A 120 -12.244 -16.128 -3.831 1.00 0.00 O ATOM 1734 NE2 GLN A 120 -10.346 -15.759 -4.843 1.00 0.00 N ATOM 0 H GLN A 120 -10.438 -12.641 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 120 -12.989 -12.434 -6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -12.171 -13.236 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -13.801 -13.397 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -13.255 -15.206 -6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.724 -14.510 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.834 -15.304 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -9.851 -16.349 -4.175 1.00 0.00 H new ATOM 1743 N SER A 121 -13.117 -10.836 -4.164 1.00 0.00 N ATOM 1744 CA SER A 121 -13.639 -9.593 -3.531 1.00 0.00 C ATOM 1745 C SER A 121 -12.515 -8.562 -3.442 1.00 0.00 C ATOM 1746 O SER A 121 -11.432 -8.763 -3.957 1.00 0.00 O ATOM 1747 CB SER A 121 -14.153 -9.911 -2.127 1.00 0.00 C ATOM 1748 OG SER A 121 -14.524 -8.702 -1.477 1.00 0.00 O ATOM 0 H SER A 121 -12.839 -11.571 -3.513 1.00 0.00 H new ATOM 0 HA SER A 121 -14.456 -9.193 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 121 -15.009 -10.584 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.382 -10.424 -1.553 1.00 0.00 H new ATOM 0 HG SER A 121 -14.855 -8.903 -0.577 1.00 0.00 H new ATOM 1754 N LYS A 122 -12.759 -7.458 -2.792 1.00 0.00 N ATOM 1755 CA LYS A 122 -11.702 -6.417 -2.671 1.00 0.00 C ATOM 1756 C LYS A 122 -11.718 -5.845 -1.252 1.00 0.00 C ATOM 1757 O LYS A 122 -12.612 -6.113 -0.474 1.00 0.00 O ATOM 1758 CB LYS A 122 -11.969 -5.300 -3.681 1.00 0.00 C ATOM 1759 CG LYS A 122 -13.250 -4.557 -3.295 1.00 0.00 C ATOM 1760 CD LYS A 122 -13.738 -3.731 -4.486 1.00 0.00 C ATOM 1761 CE LYS A 122 -13.459 -2.251 -4.221 1.00 0.00 C ATOM 1762 NZ LYS A 122 -14.075 -1.857 -2.922 1.00 0.00 N ATOM 0 H LYS A 122 -13.645 -7.232 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.726 -6.858 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.127 -4.608 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.066 -5.717 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -14.019 -5.268 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.063 -3.907 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.232 -4.051 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.805 -3.890 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.384 -2.071 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.866 -1.642 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.422 -0.879 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.869 -2.493 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.364 -1.924 -2.166 1.00 0.00 H new ATOM 1776 N GLU A 123 -10.734 -5.063 -0.906 1.00 0.00 N ATOM 1777 CA GLU A 123 -10.693 -4.481 0.464 1.00 0.00 C ATOM 1778 C GLU A 123 -11.983 -3.705 0.734 1.00 0.00 C ATOM 1779 O GLU A 123 -12.279 -2.725 0.079 1.00 0.00 O ATOM 1780 CB GLU A 123 -9.497 -3.535 0.586 1.00 0.00 C ATOM 1781 CG GLU A 123 -9.490 -2.902 1.979 1.00 0.00 C ATOM 1782 CD GLU A 123 -9.207 -1.405 1.857 1.00 0.00 C ATOM 1783 OE1 GLU A 123 -8.852 -0.974 0.772 1.00 0.00 O ATOM 1784 OE2 GLU A 123 -9.350 -0.712 2.851 1.00 0.00 O ATOM 0 H GLU A 123 -9.957 -4.802 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 123 -10.595 -5.287 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -8.569 -4.081 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -9.553 -2.759 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -10.451 -3.063 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -8.732 -3.377 2.602 1.00 0.00 H new ATOM 1791 N THR A 124 -12.750 -4.133 1.698 1.00 0.00 N ATOM 1792 CA THR A 124 -14.019 -3.420 2.020 1.00 0.00 C ATOM 1793 C THR A 124 -13.834 -2.631 3.318 1.00 0.00 C ATOM 1794 O THR A 124 -13.134 -3.055 4.216 1.00 0.00 O ATOM 1795 CB THR A 124 -15.146 -4.441 2.196 1.00 0.00 C ATOM 1796 OG1 THR A 124 -14.834 -5.618 1.465 1.00 0.00 O ATOM 1797 CG2 THR A 124 -16.461 -3.853 1.680 1.00 0.00 C ATOM 0 H THR A 124 -12.552 -4.948 2.279 1.00 0.00 H new ATOM 0 HA THR A 124 -14.275 -2.737 1.210 1.00 0.00 H new ATOM 0 HB THR A 124 -15.251 -4.684 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 124 -15.554 -6.274 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 124 -17.261 -4.583 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 124 -16.701 -2.950 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 124 -16.359 -3.606 0.623 1.00 0.00 H new ATOM 1805 N THR A 125 -14.451 -1.487 3.428 1.00 0.00 N ATOM 1806 CA THR A 125 -14.300 -0.679 4.673 1.00 0.00 C ATOM 1807 C THR A 125 -15.445 0.332 4.772 1.00 0.00 C ATOM 1808 O THR A 125 -16.359 0.329 3.971 1.00 0.00 O ATOM 1809 CB THR A 125 -12.961 0.064 4.635 1.00 0.00 C ATOM 1810 OG1 THR A 125 -12.164 -0.456 3.580 1.00 0.00 O ATOM 1811 CG2 THR A 125 -12.232 -0.123 5.967 1.00 0.00 C ATOM 0 H THR A 125 -15.052 -1.077 2.713 1.00 0.00 H new ATOM 0 HA THR A 125 -14.327 -1.338 5.541 1.00 0.00 H new ATOM 0 HB THR A 125 -13.139 1.126 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 125 -11.219 -0.277 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 125 -11.280 0.406 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 125 -12.844 0.276 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 125 -12.052 -1.184 6.137 1.00 0.00 H new ATOM 1819 N ALA A 126 -15.404 1.199 5.748 1.00 0.00 N ATOM 1820 CA ALA A 126 -16.494 2.205 5.897 1.00 0.00 C ATOM 1821 C ALA A 126 -16.111 3.489 5.156 1.00 0.00 C ATOM 1822 O ALA A 126 -15.239 4.224 5.576 1.00 0.00 O ATOM 1823 CB ALA A 126 -16.698 2.516 7.382 1.00 0.00 C ATOM 0 H ALA A 126 -14.664 1.254 6.447 1.00 0.00 H new ATOM 0 HA ALA A 126 -17.417 1.806 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -17.495 3.252 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -16.971 1.603 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -15.774 2.916 7.800 1.00 0.00 H new ATOM 1829 N ALA A 127 -16.759 3.768 4.056 1.00 0.00 N ATOM 1830 CA ALA A 127 -16.431 5.006 3.292 1.00 0.00 C ATOM 1831 C ALA A 127 -17.615 5.389 2.403 1.00 0.00 C ATOM 1832 O ALA A 127 -17.762 4.898 1.300 1.00 0.00 O ATOM 1833 CB ALA A 127 -15.201 4.758 2.417 1.00 0.00 C ATOM 0 H ALA A 127 -17.500 3.193 3.655 1.00 0.00 H new ATOM 0 HA ALA A 127 -16.224 5.816 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -14.963 5.664 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -14.354 4.487 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -15.408 3.946 1.720 1.00 0.00 H new ATOM 1839 N GLY A 128 -18.460 6.268 2.869 1.00 0.00 N ATOM 1840 CA GLY A 128 -19.631 6.683 2.048 1.00 0.00 C ATOM 1841 C GLY A 128 -19.257 7.904 1.206 1.00 0.00 C ATOM 1842 O GLY A 128 -18.653 8.842 1.687 1.00 0.00 O ATOM 0 H GLY A 128 -18.389 6.716 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -19.943 5.864 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -20.476 6.919 2.694 1.00 0.00 H new ATOM 1846 N ASP A 129 -19.612 7.899 -0.051 1.00 0.00 N ATOM 1847 CA ASP A 129 -19.279 9.059 -0.926 1.00 0.00 C ATOM 1848 C ASP A 129 -19.825 10.345 -0.302 1.00 0.00 C ATOM 1849 O ASP A 129 -19.409 11.435 -0.642 1.00 0.00 O ATOM 1850 CB ASP A 129 -19.910 8.853 -2.305 1.00 0.00 C ATOM 1851 CG ASP A 129 -19.312 9.854 -3.295 1.00 0.00 C ATOM 1852 OD1 ASP A 129 -18.300 10.450 -2.967 1.00 0.00 O ATOM 1853 OD2 ASP A 129 -19.878 10.006 -4.366 1.00 0.00 O ATOM 0 H ASP A 129 -20.118 7.141 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 129 -18.197 9.138 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -19.732 7.834 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -20.990 8.985 -2.246 1.00 0.00 H new ATOM 1858 N SER A 130 -20.754 10.227 0.607 1.00 0.00 N ATOM 1859 CA SER A 130 -21.326 11.444 1.248 1.00 0.00 C ATOM 1860 C SER A 130 -20.789 11.572 2.676 1.00 0.00 C ATOM 1861 O SER A 130 -21.276 12.426 3.398 1.00 0.00 O ATOM 1862 CB SER A 130 -22.850 11.330 1.286 1.00 0.00 C ATOM 1863 OG SER A 130 -23.410 12.225 0.334 1.00 0.00 O ATOM 1864 OXT SER A 130 -19.899 10.811 3.024 1.00 0.00 O ATOM 0 H SER A 130 -21.141 9.341 0.933 1.00 0.00 H new ATOM 0 HA SER A 130 -21.040 12.325 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 130 -23.156 10.307 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 130 -23.219 11.564 2.284 1.00 0.00 H new ATOM 0 HG SER A 130 -24.387 12.154 0.354 1.00 0.00 H new TER 1870 SER A 130