USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 ASN : amide:sc= 0.574 K(o=1.8,f=-9.2!) USER MOD Set 1.2: A 117 LYS NZ :NH3+ -172:sc= 1.24 (180deg=-0.0228) USER MOD Set 2.1: A 15 TYR OH : rot 0:sc= -1.06 USER MOD Set 2.2: A 46 SER OG : rot -14:sc= 0.623 USER MOD Set 2.3: A 98 GLN : amide:sc= -0.499 K(o=-0.93,f=-1.5) USER MOD Set 3.1: A 55 TYR OH : rot -134:sc= 1.65 USER MOD Set 3.2: A 59 CYS SG : rot 170:sc= -0.967 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.542 K(o=0.74,f=-0.73) USER MOD Set 4.2: A 12 LYS NZ :NH3+ -147:sc= 1.28 (180deg=-0.14) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.439 (180deg=0.306) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 2 MET CE :methyl 179:sc= -0.7 (180deg=-0.777) USER MOD Single : A 3 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.046) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.421 K(o=-0.42,f=-5.4!) USER MOD Single : A 18 GLN : amide:sc= -1.25 K(o=-1.3,f=-2) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc=-0.00463 (180deg=-0.144) USER MOD Single : A 26 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.22) USER MOD Single : A 28 SER OG : rot 171:sc= 0.103 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 73:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= -0.95 (180deg=-3.13!) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00573) USER MOD Single : A 69 GLN : amide:sc= -0.52 K(o=-0.52,f=-1.5) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 0.606 (180deg=0.329) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 76:sc= 1.08 USER MOD Single : A 86 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-0.46) USER MOD Single : A 87 TYR OH : rot 150:sc= -0.243 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 94 TYR OH : rot -126:sc= 0.812 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 87:sc= 0.523 USER MOD Single : A 102 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.468 K(o=-0.47,f=-2) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -131:sc= 1.37 (180deg=0.778) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.653 15.590 0.486 1.00 0.00 N ATOM 2 CA SER A 1 6.362 15.766 -0.952 1.00 0.00 C ATOM 3 C SER A 1 6.622 14.472 -1.725 1.00 0.00 C ATOM 4 O SER A 1 7.186 13.518 -1.187 1.00 0.00 O ATOM 5 CB SER A 1 7.212 16.911 -1.510 1.00 0.00 C ATOM 6 OG SER A 1 6.941 18.120 -0.820 1.00 0.00 O ATOM 0 H1 SER A 1 6.967 16.496 0.890 1.00 0.00 H new ATOM 0 H2 SER A 1 5.794 15.270 0.977 1.00 0.00 H new ATOM 0 H3 SER A 1 7.404 14.880 0.604 1.00 0.00 H new ATOM 0 HA SER A 1 5.307 16.015 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.270 16.663 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.006 17.039 -2.573 1.00 0.00 H new ATOM 0 HG SER A 1 7.495 18.839 -1.190 1.00 0.00 H new ATOM 14 N MET A 2 6.200 14.451 -2.989 1.00 0.00 N ATOM 15 CA MET A 2 6.379 13.288 -3.865 1.00 0.00 C ATOM 16 C MET A 2 7.864 13.128 -4.220 1.00 0.00 C ATOM 17 O MET A 2 8.323 12.051 -4.610 1.00 0.00 O ATOM 18 CB MET A 2 5.524 13.472 -5.134 1.00 0.00 C ATOM 19 CG MET A 2 5.093 12.175 -5.814 1.00 0.00 C ATOM 20 SD MET A 2 6.465 11.234 -6.503 1.00 0.00 S ATOM 21 CE MET A 2 5.580 9.923 -7.345 1.00 0.00 C ATOM 0 H MET A 2 5.726 15.236 -3.436 1.00 0.00 H new ATOM 0 HA MET A 2 6.054 12.383 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.632 14.042 -4.874 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.087 14.070 -5.850 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.564 11.554 -5.091 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.387 12.409 -6.611 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.292 9.263 -7.840 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.999 9.353 -6.620 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.910 10.355 -8.088 1.00 0.00 H new ATOM 31 N ASN A 3 8.607 14.219 -4.037 1.00 0.00 N ATOM 32 CA ASN A 3 10.037 14.268 -4.341 1.00 0.00 C ATOM 33 C ASN A 3 10.793 13.119 -3.669 1.00 0.00 C ATOM 34 O ASN A 3 11.753 12.587 -4.232 1.00 0.00 O ATOM 35 CB ASN A 3 10.633 15.610 -3.884 1.00 0.00 C ATOM 36 CG ASN A 3 9.939 16.822 -4.494 1.00 0.00 C ATOM 37 OD1 ASN A 3 9.853 17.879 -3.863 1.00 0.00 O ATOM 38 ND2 ASN A 3 9.445 16.689 -5.716 1.00 0.00 N ATOM 0 H ASN A 3 8.234 15.096 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 3 10.147 14.167 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.572 15.675 -2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.691 15.637 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.975 17.475 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.534 15.800 -6.208 1.00 0.00 H new ATOM 45 N GLU A 4 10.357 12.740 -2.468 1.00 0.00 N ATOM 46 CA GLU A 4 11.005 11.666 -1.716 1.00 0.00 C ATOM 47 C GLU A 4 10.928 10.335 -2.466 1.00 0.00 C ATOM 48 O GLU A 4 11.787 9.468 -2.288 1.00 0.00 O ATOM 49 CB GLU A 4 10.395 11.516 -0.312 1.00 0.00 C ATOM 50 CG GLU A 4 10.718 12.668 0.642 1.00 0.00 C ATOM 51 CD GLU A 4 9.910 13.926 0.368 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.290 14.711 -0.526 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.892 14.142 1.058 1.00 0.00 O ATOM 0 H GLU A 4 9.557 13.161 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 4 12.054 11.941 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.312 11.431 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.751 10.585 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.534 12.344 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.780 12.904 0.568 1.00 0.00 H new ATOM 60 N LEU A 5 9.901 10.173 -3.298 1.00 0.00 N ATOM 61 CA LEU A 5 9.773 8.973 -4.122 1.00 0.00 C ATOM 62 C LEU A 5 10.558 9.168 -5.418 1.00 0.00 C ATOM 63 O LEU A 5 11.254 8.264 -5.883 1.00 0.00 O ATOM 64 CB LEU A 5 8.297 8.668 -4.445 1.00 0.00 C ATOM 65 CG LEU A 5 8.008 7.200 -4.827 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.957 6.320 -3.581 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.716 7.065 -5.626 1.00 0.00 C ATOM 0 H LEU A 5 9.150 10.853 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 5 10.174 8.126 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.689 8.930 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.979 9.312 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 5 8.826 6.863 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.752 5.290 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.915 6.367 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.168 6.674 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.550 6.017 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.880 7.434 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.793 7.648 -6.544 1.00 0.00 H new ATOM 79 N GLU A 6 10.449 10.373 -5.979 1.00 0.00 N ATOM 80 CA GLU A 6 11.119 10.723 -7.237 1.00 0.00 C ATOM 81 C GLU A 6 12.646 10.723 -7.088 1.00 0.00 C ATOM 82 O GLU A 6 13.376 10.587 -8.075 1.00 0.00 O ATOM 83 CB GLU A 6 10.660 12.111 -7.706 1.00 0.00 C ATOM 84 CG GLU A 6 9.150 12.244 -7.869 1.00 0.00 C ATOM 85 CD GLU A 6 8.725 13.653 -8.258 1.00 0.00 C ATOM 86 OE1 GLU A 6 8.494 14.487 -7.358 1.00 0.00 O ATOM 87 OE2 GLU A 6 8.622 13.936 -9.475 1.00 0.00 O ATOM 0 H GLU A 6 9.897 11.132 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 6 10.847 9.967 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.005 12.857 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.139 12.338 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.807 11.542 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.662 11.966 -6.935 1.00 0.00 H new ATOM 94 N ALA A 7 13.113 10.885 -5.852 1.00 0.00 N ATOM 95 CA ALA A 7 14.541 11.035 -5.560 1.00 0.00 C ATOM 96 C ALA A 7 15.369 9.835 -6.031 1.00 0.00 C ATOM 97 O ALA A 7 16.476 10.002 -6.554 1.00 0.00 O ATOM 98 CB ALA A 7 14.749 11.259 -4.066 1.00 0.00 C ATOM 0 H ALA A 7 12.516 10.916 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 7 14.891 11.904 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.814 11.369 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 7 14.224 12.163 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.358 10.405 -3.512 1.00 0.00 H new ATOM 104 N GLN A 8 14.842 8.630 -5.841 1.00 0.00 N ATOM 105 CA GLN A 8 15.584 7.409 -6.162 1.00 0.00 C ATOM 106 C GLN A 8 15.382 7.035 -7.632 1.00 0.00 C ATOM 107 O GLN A 8 14.273 7.134 -8.153 1.00 0.00 O ATOM 108 CB GLN A 8 15.139 6.282 -5.223 1.00 0.00 C ATOM 109 CG GLN A 8 15.458 6.579 -3.760 1.00 0.00 C ATOM 110 CD GLN A 8 14.887 5.552 -2.800 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.780 5.717 -2.288 1.00 0.00 O ATOM 112 NE2 GLN A 8 15.631 4.486 -2.553 1.00 0.00 N ATOM 0 H GLN A 8 13.907 8.469 -5.467 1.00 0.00 H new ATOM 0 HA GLN A 8 16.651 7.576 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.066 6.125 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.629 5.354 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.540 6.623 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.067 7.563 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.544 4.387 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.292 3.764 -1.918 1.00 0.00 H new ATOM 121 N THR A 9 16.446 6.558 -8.281 1.00 0.00 N ATOM 122 CA THR A 9 16.478 6.467 -9.743 1.00 0.00 C ATOM 123 C THR A 9 16.396 5.025 -10.251 1.00 0.00 C ATOM 124 O THR A 9 16.950 4.106 -9.651 1.00 0.00 O ATOM 125 CB THR A 9 17.761 7.136 -10.295 1.00 0.00 C ATOM 126 OG1 THR A 9 17.860 8.480 -9.799 1.00 0.00 O ATOM 127 CG2 THR A 9 17.773 7.160 -11.822 1.00 0.00 C ATOM 0 H THR A 9 17.294 6.230 -7.820 1.00 0.00 H new ATOM 0 HA THR A 9 15.595 6.992 -10.106 1.00 0.00 H new ATOM 0 HB THR A 9 18.613 6.547 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.674 8.899 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.689 7.637 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.728 6.140 -12.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.911 7.721 -12.184 1.00 0.00 H new ATOM 135 N ARG A 10 15.663 4.856 -11.361 1.00 0.00 N ATOM 136 CA ARG A 10 15.476 3.564 -12.042 1.00 0.00 C ATOM 137 C ARG A 10 14.911 2.482 -11.117 1.00 0.00 C ATOM 138 O ARG A 10 14.795 1.320 -11.508 1.00 0.00 O ATOM 139 CB ARG A 10 16.800 3.078 -12.662 1.00 0.00 C ATOM 140 CG ARG A 10 17.299 3.910 -13.848 1.00 0.00 C ATOM 141 CD ARG A 10 16.359 3.836 -15.054 1.00 0.00 C ATOM 142 NE ARG A 10 15.176 4.690 -14.899 1.00 0.00 N ATOM 143 CZ ARG A 10 13.992 4.462 -15.479 1.00 0.00 C ATOM 144 NH1 ARG A 10 13.798 3.370 -16.210 1.00 0.00 N ATOM 145 NH2 ARG A 10 13.005 5.335 -15.325 1.00 0.00 N ATOM 0 H ARG A 10 15.175 5.625 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 10 14.743 3.735 -12.830 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.568 3.077 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.675 2.045 -12.988 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.406 4.950 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.289 3.561 -14.141 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.901 4.132 -15.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.041 2.804 -15.200 1.00 0.00 H new ATOM 0 HE ARG A 10 15.262 5.516 -14.307 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.555 2.697 -16.333 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.892 3.204 -16.649 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.150 6.176 -14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.101 5.165 -15.765 1.00 0.00 H new ATOM 159 N VAL A 11 14.552 2.862 -9.898 1.00 0.00 N ATOM 160 CA VAL A 11 13.851 1.971 -8.992 1.00 0.00 C ATOM 161 C VAL A 11 12.430 2.476 -8.774 1.00 0.00 C ATOM 162 O VAL A 11 11.457 1.773 -9.053 1.00 0.00 O ATOM 163 CB VAL A 11 14.601 1.805 -7.638 1.00 0.00 C ATOM 164 CG1 VAL A 11 14.935 3.157 -7.009 1.00 0.00 C ATOM 165 CG2 VAL A 11 13.793 0.935 -6.671 1.00 0.00 C ATOM 0 H VAL A 11 14.738 3.789 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 11 13.813 0.983 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 11 15.545 1.300 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.458 3.000 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.572 3.726 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.014 3.710 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.337 0.833 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.827 1.402 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.639 -0.051 -7.110 1.00 0.00 H new ATOM 175 N LYS A 12 12.312 3.724 -8.323 1.00 0.00 N ATOM 176 CA LYS A 12 11.014 4.275 -7.961 1.00 0.00 C ATOM 177 C LYS A 12 10.354 4.990 -9.134 1.00 0.00 C ATOM 178 O LYS A 12 9.164 5.289 -9.084 1.00 0.00 O ATOM 179 CB LYS A 12 11.132 5.186 -6.733 1.00 0.00 C ATOM 180 CG LYS A 12 11.493 4.411 -5.464 1.00 0.00 C ATOM 181 CD LYS A 12 11.175 5.186 -4.188 1.00 0.00 C ATOM 182 CE LYS A 12 11.263 4.290 -2.953 1.00 0.00 C ATOM 183 NZ LYS A 12 10.792 4.978 -1.720 1.00 0.00 N ATOM 0 H LYS A 12 13.095 4.366 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 12 10.363 3.442 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.891 5.946 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.188 5.709 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.951 3.466 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.556 4.169 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.870 6.020 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.174 5.612 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.667 3.392 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.295 3.967 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.336 4.636 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.927 6.004 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.783 4.775 -1.573 1.00 0.00 H new ATOM 197 N LEU A 13 11.117 5.250 -10.196 1.00 0.00 N ATOM 198 CA LEU A 13 10.542 5.786 -11.430 1.00 0.00 C ATOM 199 C LEU A 13 9.867 4.661 -12.209 1.00 0.00 C ATOM 200 O LEU A 13 8.835 4.865 -12.852 1.00 0.00 O ATOM 201 CB LEU A 13 11.608 6.485 -12.295 1.00 0.00 C ATOM 202 CG LEU A 13 11.981 7.918 -11.865 1.00 0.00 C ATOM 203 CD1 LEU A 13 10.752 8.823 -11.875 1.00 0.00 C ATOM 204 CD2 LEU A 13 12.645 7.923 -10.492 1.00 0.00 C ATOM 0 H LEU A 13 12.125 5.100 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 13 9.799 6.538 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.512 5.876 -12.288 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.252 6.515 -13.325 1.00 0.00 H new ATOM 0 HG LEU A 13 12.699 8.309 -12.586 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.038 9.829 -11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.332 8.856 -12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.006 8.431 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.897 8.946 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.959 7.505 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.553 7.321 -10.525 1.00 0.00 H new ATOM 216 N ASN A 14 10.463 3.472 -12.137 1.00 0.00 N ATOM 217 CA ASN A 14 9.857 2.265 -12.696 1.00 0.00 C ATOM 218 C ASN A 14 8.609 1.922 -11.896 1.00 0.00 C ATOM 219 O ASN A 14 7.542 1.632 -12.453 1.00 0.00 O ATOM 220 CB ASN A 14 10.844 1.086 -12.649 1.00 0.00 C ATOM 221 CG ASN A 14 12.136 1.358 -13.402 1.00 0.00 C ATOM 222 OD1 ASN A 14 12.590 2.499 -13.487 1.00 0.00 O ATOM 223 ND2 ASN A 14 12.744 0.311 -13.936 1.00 0.00 N ATOM 0 H ASN A 14 11.369 3.319 -11.695 1.00 0.00 H new ATOM 0 HA ASN A 14 9.595 2.449 -13.738 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.078 0.857 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.365 0.202 -13.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.622 0.434 -14.440 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.335 -0.619 -13.843 1.00 0.00 H new ATOM 230 N TYR A 15 8.757 1.969 -10.573 1.00 0.00 N ATOM 231 CA TYR A 15 7.637 1.778 -9.664 1.00 0.00 C ATOM 232 C TYR A 15 6.553 2.809 -9.952 1.00 0.00 C ATOM 233 O TYR A 15 5.372 2.479 -9.965 1.00 0.00 O ATOM 234 CB TYR A 15 8.100 1.891 -8.206 1.00 0.00 C ATOM 235 CG TYR A 15 6.998 1.643 -7.187 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.634 0.347 -6.829 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.323 2.701 -6.581 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.635 0.115 -5.904 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.324 2.473 -5.655 1.00 0.00 C ATOM 240 CZ TYR A 15 4.985 1.180 -5.322 1.00 0.00 C ATOM 241 OH TYR A 15 3.989 0.950 -4.401 1.00 0.00 O ATOM 0 H TYR A 15 9.649 2.139 -10.108 1.00 0.00 H new ATOM 0 HA TYR A 15 7.229 0.779 -9.819 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.906 1.178 -8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.515 2.886 -8.043 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.142 -0.491 -7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.585 3.716 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.365 -0.897 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.811 3.304 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 15 3.872 -0.015 -4.280 1.00 0.00 H new ATOM 251 N LEU A 16 6.973 4.053 -10.186 1.00 0.00 N ATOM 252 CA LEU A 16 6.056 5.140 -10.534 1.00 0.00 C ATOM 253 C LEU A 16 5.306 4.778 -11.814 1.00 0.00 C ATOM 254 O LEU A 16 4.082 4.903 -11.892 1.00 0.00 O ATOM 255 CB LEU A 16 6.845 6.459 -10.708 1.00 0.00 C ATOM 256 CG LEU A 16 6.025 7.770 -10.747 1.00 0.00 C ATOM 257 CD1 LEU A 16 6.952 8.977 -10.599 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.212 7.895 -12.036 1.00 0.00 C ATOM 0 H LEU A 16 7.952 4.335 -10.140 1.00 0.00 H new ATOM 0 HA LEU A 16 5.331 5.282 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.564 6.534 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.418 6.391 -11.632 1.00 0.00 H new ATOM 0 HG LEU A 16 5.325 7.743 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.363 9.894 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.481 8.915 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.674 8.984 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.651 8.829 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.885 7.888 -12.893 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.519 7.057 -12.112 1.00 0.00 H new ATOM 270 N ASP A 17 6.060 4.307 -12.801 1.00 0.00 N ATOM 271 CA ASP A 17 5.508 3.947 -14.103 1.00 0.00 C ATOM 272 C ASP A 17 4.359 2.953 -13.952 1.00 0.00 C ATOM 273 O ASP A 17 3.255 3.191 -14.446 1.00 0.00 O ATOM 274 CB ASP A 17 6.606 3.358 -14.999 1.00 0.00 C ATOM 275 CG ASP A 17 6.101 2.977 -16.383 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.990 3.872 -17.250 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.829 1.783 -16.616 1.00 0.00 O ATOM 0 H ASP A 17 7.067 4.164 -12.723 1.00 0.00 H new ATOM 0 HA ASP A 17 5.117 4.851 -14.570 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.414 4.083 -15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.028 2.476 -14.516 1.00 0.00 H new ATOM 282 N GLN A 18 4.615 1.854 -13.244 1.00 0.00 N ATOM 283 CA GLN A 18 3.617 0.793 -13.087 1.00 0.00 C ATOM 284 C GLN A 18 2.504 1.201 -12.108 1.00 0.00 C ATOM 285 O GLN A 18 1.328 0.913 -12.349 1.00 0.00 O ATOM 286 CB GLN A 18 4.293 -0.528 -12.656 1.00 0.00 C ATOM 287 CG GLN A 18 4.998 -0.485 -11.296 1.00 0.00 C ATOM 288 CD GLN A 18 4.066 -0.749 -10.121 1.00 0.00 C ATOM 289 OE1 GLN A 18 3.099 -1.501 -10.231 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.340 -0.115 -8.994 1.00 0.00 N ATOM 0 H GLN A 18 5.501 1.674 -12.771 1.00 0.00 H new ATOM 0 HA GLN A 18 3.144 0.632 -14.056 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.537 -1.313 -12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.021 -0.810 -13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.799 -1.224 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.464 0.492 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.151 0.501 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.740 -0.242 -8.179 1.00 0.00 H new ATOM 299 N ILE A 19 2.875 1.902 -11.028 1.00 0.00 N ATOM 300 CA ILE A 19 1.917 2.278 -9.979 1.00 0.00 C ATOM 301 C ILE A 19 0.926 3.311 -10.510 1.00 0.00 C ATOM 302 O ILE A 19 -0.185 3.455 -9.996 1.00 0.00 O ATOM 303 CB ILE A 19 2.630 2.845 -8.711 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.711 2.784 -7.475 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.098 4.281 -8.937 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.488 1.383 -6.946 1.00 0.00 C ATOM 0 H ILE A 19 3.829 2.220 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 19 1.385 1.371 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 19 3.502 2.217 -8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.142 3.397 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.747 3.224 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.591 4.649 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.799 4.308 -9.771 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.239 4.912 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.832 1.423 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.027 0.770 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.444 0.946 -6.659 1.00 0.00 H new ATOM 318 N ALA A 20 1.349 4.048 -11.530 1.00 0.00 N ATOM 319 CA ALA A 20 0.477 5.002 -12.194 1.00 0.00 C ATOM 320 C ALA A 20 -0.322 4.309 -13.290 1.00 0.00 C ATOM 321 O ALA A 20 -1.539 4.443 -13.358 1.00 0.00 O ATOM 322 CB ALA A 20 1.290 6.157 -12.771 1.00 0.00 C ATOM 0 H ALA A 20 2.293 4.001 -11.914 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.220 5.408 -11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.621 6.862 -13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.823 6.665 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.008 5.771 -13.494 1.00 0.00 H new ATOM 328 N LYS A 21 0.375 3.532 -14.115 1.00 0.00 N ATOM 329 CA LYS A 21 -0.216 2.933 -15.311 1.00 0.00 C ATOM 330 C LYS A 21 -1.353 1.971 -14.958 1.00 0.00 C ATOM 331 O LYS A 21 -2.484 2.153 -15.415 1.00 0.00 O ATOM 332 CB LYS A 21 0.872 2.211 -16.134 1.00 0.00 C ATOM 333 CG LYS A 21 0.823 2.492 -17.637 1.00 0.00 C ATOM 334 CD LYS A 21 -0.457 1.974 -18.285 1.00 0.00 C ATOM 335 CE LYS A 21 -0.518 2.318 -19.770 1.00 0.00 C ATOM 336 NZ LYS A 21 0.618 1.731 -20.529 1.00 0.00 N ATOM 0 H LYS A 21 1.359 3.300 -13.976 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.644 3.735 -15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.851 2.504 -15.754 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.777 1.137 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.903 3.566 -17.806 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.684 2.028 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.517 0.893 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.321 2.402 -17.777 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.458 1.955 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.513 3.401 -19.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.449 1.844 -21.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.499 2.218 -20.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.702 0.720 -20.302 1.00 0.00 H new ATOM 350 N PHE A 22 -1.058 0.960 -14.141 1.00 0.00 N ATOM 351 CA PHE A 22 -2.049 -0.063 -13.796 1.00 0.00 C ATOM 352 C PHE A 22 -3.311 0.575 -13.217 1.00 0.00 C ATOM 353 O PHE A 22 -4.428 0.305 -13.667 1.00 0.00 O ATOM 354 CB PHE A 22 -1.454 -1.070 -12.797 1.00 0.00 C ATOM 355 CG PHE A 22 -2.473 -2.015 -12.194 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.956 -3.099 -12.912 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.948 -1.809 -10.905 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.888 -3.955 -12.356 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.878 -2.661 -10.344 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.350 -3.737 -11.070 1.00 0.00 C ATOM 0 H PHE A 22 -0.145 0.826 -13.706 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.322 -0.593 -14.708 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.685 -1.655 -13.301 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.962 -0.522 -11.994 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.600 -3.276 -13.916 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.584 -0.969 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.256 -4.795 -12.926 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.236 -2.487 -9.340 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.078 -4.406 -10.635 1.00 0.00 H new ATOM 370 N TRP A 23 -3.115 1.433 -12.227 1.00 0.00 N ATOM 371 CA TRP A 23 -4.217 2.075 -11.524 1.00 0.00 C ATOM 372 C TRP A 23 -4.944 3.077 -12.424 1.00 0.00 C ATOM 373 O TRP A 23 -6.158 3.264 -12.300 1.00 0.00 O ATOM 374 CB TRP A 23 -3.694 2.760 -10.254 1.00 0.00 C ATOM 375 CG TRP A 23 -4.751 3.441 -9.433 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.683 4.696 -8.911 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.025 2.911 -9.038 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.835 4.990 -8.228 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.674 3.908 -8.286 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.682 1.694 -9.248 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.944 3.724 -7.743 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.941 1.515 -8.711 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.561 2.525 -7.965 1.00 0.00 C ATOM 0 H TRP A 23 -2.191 1.703 -11.889 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.939 1.309 -11.242 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.194 2.015 -9.634 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.941 3.496 -10.537 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.842 5.365 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.035 5.871 -7.754 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.212 0.908 -9.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.424 4.501 -7.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.457 0.579 -8.869 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.546 2.353 -7.557 1.00 0.00 H new ATOM 394 N GLU A 24 -4.212 3.705 -13.342 1.00 0.00 N ATOM 395 CA GLU A 24 -4.803 4.699 -14.234 1.00 0.00 C ATOM 396 C GLU A 24 -5.681 4.009 -15.280 1.00 0.00 C ATOM 397 O GLU A 24 -6.733 4.523 -15.670 1.00 0.00 O ATOM 398 CB GLU A 24 -3.704 5.532 -14.912 1.00 0.00 C ATOM 399 CG GLU A 24 -4.217 6.725 -15.710 1.00 0.00 C ATOM 400 CD GLU A 24 -3.087 7.592 -16.240 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.609 8.474 -15.495 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.660 7.388 -17.396 1.00 0.00 O ATOM 0 H GLU A 24 -3.215 3.544 -13.487 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.427 5.373 -13.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.015 5.891 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.133 4.884 -15.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.821 6.369 -16.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.870 7.328 -15.079 1.00 0.00 H new ATOM 409 N ILE A 25 -5.246 2.829 -15.720 1.00 0.00 N ATOM 410 CA ILE A 25 -6.004 2.030 -16.682 1.00 0.00 C ATOM 411 C ILE A 25 -7.164 1.317 -15.985 1.00 0.00 C ATOM 412 O ILE A 25 -8.120 0.876 -16.627 1.00 0.00 O ATOM 413 CB ILE A 25 -5.091 1.000 -17.404 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.965 1.727 -18.158 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.893 0.118 -18.366 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.456 2.730 -19.183 1.00 0.00 C ATOM 0 H ILE A 25 -4.368 2.403 -15.424 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.407 2.706 -17.436 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.652 0.351 -16.646 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.332 2.242 -17.436 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.341 0.987 -18.659 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.224 -0.591 -18.854 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.656 -0.427 -17.810 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.371 0.743 -19.120 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.602 3.199 -19.671 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.065 2.219 -19.929 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.055 3.493 -18.687 1.00 0.00 H new ATOM 428 N GLN A 26 -7.099 1.252 -14.657 1.00 0.00 N ATOM 429 CA GLN A 26 -8.145 0.620 -13.846 1.00 0.00 C ATOM 430 C GLN A 26 -9.374 1.544 -13.721 1.00 0.00 C ATOM 431 O GLN A 26 -10.108 1.501 -12.727 1.00 0.00 O ATOM 432 CB GLN A 26 -7.573 0.282 -12.457 1.00 0.00 C ATOM 433 CG GLN A 26 -8.426 -0.678 -11.634 1.00 0.00 C ATOM 434 CD GLN A 26 -8.570 -2.044 -12.284 1.00 0.00 C ATOM 435 OE1 GLN A 26 -9.509 -2.293 -13.042 1.00 0.00 O ATOM 436 NE2 GLN A 26 -7.634 -2.935 -11.998 1.00 0.00 N ATOM 0 H GLN A 26 -6.325 1.633 -14.112 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.471 -0.299 -14.334 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.581 -0.152 -12.583 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.447 1.208 -11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.981 -0.796 -10.646 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.415 -0.244 -11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.872 -2.690 -11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.674 -3.867 -12.410 1.00 0.00 H new ATOM 445 N GLY A 27 -9.602 2.366 -14.748 1.00 0.00 N ATOM 446 CA GLY A 27 -10.724 3.289 -14.747 1.00 0.00 C ATOM 447 C GLY A 27 -10.607 4.332 -13.656 1.00 0.00 C ATOM 448 O GLY A 27 -11.611 4.790 -13.108 1.00 0.00 O ATOM 0 H GLY A 27 -9.022 2.406 -15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.785 3.785 -15.716 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.651 2.731 -14.616 1.00 0.00 H new ATOM 452 N SER A 28 -9.372 4.699 -13.338 1.00 0.00 N ATOM 453 CA SER A 28 -9.093 5.646 -12.267 1.00 0.00 C ATOM 454 C SER A 28 -7.833 6.452 -12.580 1.00 0.00 C ATOM 455 O SER A 28 -7.309 6.393 -13.693 1.00 0.00 O ATOM 456 CB SER A 28 -8.936 4.888 -10.942 1.00 0.00 C ATOM 457 OG SER A 28 -10.129 4.197 -10.608 1.00 0.00 O ATOM 0 H SER A 28 -8.539 4.350 -13.813 1.00 0.00 H new ATOM 0 HA SER A 28 -9.926 6.344 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.111 4.180 -11.019 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.682 5.588 -10.146 1.00 0.00 H new ATOM 0 HG SER A 28 -9.963 3.610 -9.841 1.00 0.00 H new ATOM 463 N SER A 29 -7.371 7.221 -11.604 1.00 0.00 N ATOM 464 CA SER A 29 -6.126 7.969 -11.721 1.00 0.00 C ATOM 465 C SER A 29 -5.377 7.918 -10.395 1.00 0.00 C ATOM 466 O SER A 29 -5.999 7.876 -9.328 1.00 0.00 O ATOM 467 CB SER A 29 -6.412 9.418 -12.130 1.00 0.00 C ATOM 468 OG SER A 29 -7.353 10.024 -11.256 1.00 0.00 O ATOM 0 H SER A 29 -7.847 7.344 -10.710 1.00 0.00 H new ATOM 0 HA SER A 29 -5.504 7.518 -12.494 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.484 9.990 -12.122 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.793 9.442 -13.151 1.00 0.00 H new ATOM 0 HG SER A 29 -7.515 10.948 -11.540 1.00 0.00 H new ATOM 474 N LEU A 30 -4.054 7.908 -10.460 1.00 0.00 N ATOM 475 CA LEU A 30 -3.235 7.782 -9.265 1.00 0.00 C ATOM 476 C LEU A 30 -3.252 9.077 -8.459 1.00 0.00 C ATOM 477 O LEU A 30 -2.930 10.149 -8.976 1.00 0.00 O ATOM 478 CB LEU A 30 -1.797 7.401 -9.636 1.00 0.00 C ATOM 479 CG LEU A 30 -0.879 7.081 -8.445 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.397 5.868 -7.673 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.550 6.850 -8.919 1.00 0.00 C ATOM 0 H LEU A 30 -3.525 7.986 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.655 6.989 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.826 6.534 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.356 8.220 -10.205 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.881 7.937 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.732 5.659 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.399 6.076 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.429 5.002 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.186 6.625 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.571 6.013 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.917 7.747 -9.418 1.00 0.00 H new ATOM 493 N LYS A 31 -3.644 8.968 -7.196 1.00 0.00 N ATOM 494 CA LYS A 31 -3.655 10.105 -6.286 1.00 0.00 C ATOM 495 C LYS A 31 -3.176 9.634 -4.914 1.00 0.00 C ATOM 496 O LYS A 31 -3.981 9.378 -4.014 1.00 0.00 O ATOM 497 CB LYS A 31 -5.072 10.715 -6.205 1.00 0.00 C ATOM 498 CG LYS A 31 -5.110 12.221 -5.924 1.00 0.00 C ATOM 499 CD LYS A 31 -4.494 12.592 -4.576 1.00 0.00 C ATOM 500 CE LYS A 31 -4.548 14.097 -4.335 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.875 14.488 -3.067 1.00 0.00 N ATOM 0 H LYS A 31 -3.961 8.094 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.986 10.884 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.589 10.522 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.630 10.200 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.578 12.747 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.144 12.564 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.025 12.075 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.458 12.253 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.075 14.614 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.588 14.422 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.937 15.519 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.342 14.016 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.876 14.203 -3.102 1.00 0.00 H new ATOM 515 N ILE A 32 -1.863 9.474 -4.782 1.00 0.00 N ATOM 516 CA ILE A 32 -1.264 8.990 -3.540 1.00 0.00 C ATOM 517 C ILE A 32 -1.183 10.110 -2.499 1.00 0.00 C ATOM 518 O ILE A 32 -0.648 11.188 -2.772 1.00 0.00 O ATOM 519 CB ILE A 32 0.144 8.378 -3.783 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.035 9.348 -4.582 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.021 7.032 -4.500 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.363 8.755 -5.009 1.00 0.00 C ATOM 0 H ILE A 32 -1.190 9.673 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.911 8.202 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 32 0.619 8.211 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.493 9.676 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.223 10.235 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.015 6.615 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.564 6.346 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.475 7.175 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.932 9.500 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.927 8.453 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.186 7.885 -5.642 1.00 0.00 H new ATOM 534 N PRO A 33 -1.745 9.876 -1.295 1.00 0.00 N ATOM 535 CA PRO A 33 -1.769 10.874 -0.213 1.00 0.00 C ATOM 536 C PRO A 33 -0.378 11.180 0.348 1.00 0.00 C ATOM 537 O PRO A 33 0.636 10.639 -0.111 1.00 0.00 O ATOM 538 CB PRO A 33 -2.657 10.225 0.869 1.00 0.00 C ATOM 539 CG PRO A 33 -3.357 9.100 0.181 1.00 0.00 C ATOM 540 CD PRO A 33 -2.417 8.631 -0.892 1.00 0.00 C ATOM 0 HA PRO A 33 -2.142 11.834 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.058 9.863 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.370 10.942 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.586 8.295 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.304 9.431 -0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.710 7.892 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.949 8.170 -1.724 1.00 0.00 H new ATOM 548 N ASN A 34 -0.346 12.055 1.347 1.00 0.00 N ATOM 549 CA ASN A 34 0.895 12.450 2.004 1.00 0.00 C ATOM 550 C ASN A 34 0.690 12.562 3.499 1.00 0.00 C ATOM 551 O ASN A 34 -0.407 12.874 3.973 1.00 0.00 O ATOM 552 CB ASN A 34 1.420 13.780 1.441 1.00 0.00 C ATOM 553 CG ASN A 34 0.426 14.928 1.573 1.00 0.00 C ATOM 554 OD1 ASN A 34 -0.789 14.725 1.554 1.00 0.00 O ATOM 555 ND2 ASN A 34 0.936 16.144 1.701 1.00 0.00 N ATOM 0 H ASN A 34 -1.178 12.510 1.724 1.00 0.00 H new ATOM 0 HA ASN A 34 1.639 11.678 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.342 14.046 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.672 13.646 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.317 16.950 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.948 16.274 1.713 1.00 0.00 H new ATOM 562 N VAL A 35 1.753 12.285 4.232 1.00 0.00 N ATOM 563 CA VAL A 35 1.740 12.368 5.679 1.00 0.00 C ATOM 564 C VAL A 35 3.156 12.622 6.190 1.00 0.00 C ATOM 565 O VAL A 35 4.127 12.187 5.566 1.00 0.00 O ATOM 566 CB VAL A 35 1.160 11.077 6.318 1.00 0.00 C ATOM 567 CG1 VAL A 35 2.006 9.855 5.962 1.00 0.00 C ATOM 568 CG2 VAL A 35 1.023 11.229 7.832 1.00 0.00 C ATOM 0 H VAL A 35 2.649 11.996 3.840 1.00 0.00 H new ATOM 0 HA VAL A 35 1.094 13.197 5.968 1.00 0.00 H new ATOM 0 HB VAL A 35 0.163 10.921 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.575 8.967 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.025 9.728 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.023 9.997 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.615 10.311 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.003 11.425 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.354 12.060 8.055 1.00 0.00 H new ATOM 578 N GLU A 36 3.274 13.359 7.296 1.00 0.00 N ATOM 579 CA GLU A 36 4.576 13.660 7.892 1.00 0.00 C ATOM 580 C GLU A 36 5.424 14.511 6.947 1.00 0.00 C ATOM 581 O GLU A 36 6.653 14.532 7.042 1.00 0.00 O ATOM 582 CB GLU A 36 5.318 12.374 8.284 1.00 0.00 C ATOM 583 CG GLU A 36 4.590 11.545 9.338 1.00 0.00 C ATOM 584 CD GLU A 36 4.161 12.375 10.541 1.00 0.00 C ATOM 585 OE1 GLU A 36 5.038 12.792 11.326 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.946 12.632 10.695 1.00 0.00 O ATOM 0 H GLU A 36 2.481 13.759 7.798 1.00 0.00 H new ATOM 0 HA GLU A 36 4.401 14.234 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.466 11.764 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.307 12.636 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.711 11.082 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.240 10.736 9.672 1.00 0.00 H new ATOM 593 N ARG A 37 4.740 15.202 6.032 1.00 0.00 N ATOM 594 CA ARG A 37 5.375 16.066 5.029 1.00 0.00 C ATOM 595 C ARG A 37 6.065 15.228 3.952 1.00 0.00 C ATOM 596 O ARG A 37 6.828 15.748 3.135 1.00 0.00 O ATOM 597 CB ARG A 37 6.375 17.059 5.666 1.00 0.00 C ATOM 598 CG ARG A 37 5.728 18.210 6.440 1.00 0.00 C ATOM 599 CD ARG A 37 5.019 17.747 7.709 1.00 0.00 C ATOM 600 NE ARG A 37 4.404 18.865 8.425 1.00 0.00 N ATOM 601 CZ ARG A 37 3.833 18.770 9.629 1.00 0.00 C ATOM 602 NH1 ARG A 37 3.815 17.609 10.276 1.00 0.00 N ATOM 603 NH2 ARG A 37 3.295 19.847 10.188 1.00 0.00 N ATOM 0 H ARG A 37 3.723 15.179 5.964 1.00 0.00 H new ATOM 0 HA ARG A 37 4.584 16.654 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.032 16.510 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.003 17.476 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.494 18.940 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.012 18.718 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.254 17.015 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.733 17.245 8.362 1.00 0.00 H new ATOM 0 HE ARG A 37 4.412 19.780 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.239 16.783 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.377 17.544 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.319 20.742 9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.858 19.780 11.107 1.00 0.00 H new ATOM 617 N ARG A 38 5.763 13.938 3.931 1.00 0.00 N ATOM 618 CA ARG A 38 6.360 13.019 2.973 1.00 0.00 C ATOM 619 C ARG A 38 5.271 12.298 2.186 1.00 0.00 C ATOM 620 O ARG A 38 4.142 12.153 2.661 1.00 0.00 O ATOM 621 CB ARG A 38 7.263 12.015 3.704 1.00 0.00 C ATOM 622 CG ARG A 38 7.970 11.024 2.784 1.00 0.00 C ATOM 623 CD ARG A 38 9.037 10.231 3.525 1.00 0.00 C ATOM 624 NE ARG A 38 10.073 11.108 4.084 1.00 0.00 N ATOM 625 CZ ARG A 38 11.334 10.742 4.307 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.746 9.516 4.009 1.00 0.00 N ATOM 627 NH2 ARG A 38 12.191 11.616 4.813 1.00 0.00 N ATOM 0 H ARG A 38 5.102 13.501 4.573 1.00 0.00 H new ATOM 0 HA ARG A 38 6.971 13.583 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.013 12.565 4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.662 11.460 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.238 10.338 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.427 11.561 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.573 9.658 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.496 9.513 2.845 1.00 0.00 H new ATOM 0 HE ARG A 38 9.809 12.065 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.095 8.843 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.714 9.247 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.884 12.564 5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.158 11.341 4.986 1.00 0.00 H new ATOM 641 N ILE A 39 5.607 11.878 0.974 1.00 0.00 N ATOM 642 CA ILE A 39 4.692 11.109 0.140 1.00 0.00 C ATOM 643 C ILE A 39 4.409 9.756 0.791 1.00 0.00 C ATOM 644 O ILE A 39 5.309 9.136 1.366 1.00 0.00 O ATOM 645 CB ILE A 39 5.276 10.926 -1.292 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.356 10.071 -2.195 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.687 10.335 -1.232 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.697 8.591 -2.230 1.00 0.00 C ATOM 0 H ILE A 39 6.514 12.059 0.543 1.00 0.00 H new ATOM 0 HA ILE A 39 3.753 11.655 0.050 1.00 0.00 H new ATOM 0 HB ILE A 39 5.334 11.916 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.327 10.185 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.400 10.464 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.075 10.216 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.338 11.004 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.654 9.363 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.000 8.072 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.713 8.460 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.624 8.177 -1.224 1.00 0.00 H new ATOM 660 N LEU A 40 3.159 9.313 0.719 1.00 0.00 N ATOM 661 CA LEU A 40 2.768 8.040 1.311 1.00 0.00 C ATOM 662 C LEU A 40 3.427 6.900 0.537 1.00 0.00 C ATOM 663 O LEU A 40 2.962 6.513 -0.539 1.00 0.00 O ATOM 664 CB LEU A 40 1.238 7.893 1.308 1.00 0.00 C ATOM 665 CG LEU A 40 0.689 6.712 2.125 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.065 6.854 3.599 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.828 6.604 1.960 1.00 0.00 C ATOM 0 H LEU A 40 2.401 9.816 0.258 1.00 0.00 H new ATOM 0 HA LEU A 40 3.103 8.004 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.800 8.814 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.902 7.787 0.277 1.00 0.00 H new ATOM 0 HG LEU A 40 1.140 5.794 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.667 6.008 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.150 6.876 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.646 7.780 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.199 5.763 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.298 7.524 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.069 6.449 0.908 1.00 0.00 H new ATOM 679 N ASP A 41 4.526 6.385 1.082 1.00 0.00 N ATOM 680 CA ASP A 41 5.359 5.416 0.374 1.00 0.00 C ATOM 681 C ASP A 41 4.655 4.062 0.283 1.00 0.00 C ATOM 682 O ASP A 41 4.828 3.184 1.135 1.00 0.00 O ATOM 683 CB ASP A 41 6.729 5.282 1.064 1.00 0.00 C ATOM 684 CG ASP A 41 7.728 4.460 0.257 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.308 4.995 -0.712 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.958 3.283 0.598 1.00 0.00 O ATOM 0 H ASP A 41 4.862 6.623 2.015 1.00 0.00 H new ATOM 0 HA ASP A 41 5.523 5.776 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.141 6.276 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.593 4.820 2.042 1.00 0.00 H new ATOM 691 N LEU A 42 3.826 3.932 -0.752 1.00 0.00 N ATOM 692 CA LEU A 42 3.088 2.702 -1.040 1.00 0.00 C ATOM 693 C LEU A 42 4.067 1.538 -1.218 1.00 0.00 C ATOM 694 O LEU A 42 3.730 0.381 -0.974 1.00 0.00 O ATOM 695 CB LEU A 42 2.240 2.914 -2.314 1.00 0.00 C ATOM 696 CG LEU A 42 0.978 2.034 -2.471 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.093 2.568 -3.597 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.335 0.572 -2.739 1.00 0.00 C ATOM 0 H LEU A 42 3.646 4.682 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 42 2.424 2.459 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.931 3.959 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.881 2.745 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 42 0.431 2.078 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.791 1.938 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.213 3.589 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.651 2.559 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.421 -0.013 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.917 0.502 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.922 0.182 -1.907 1.00 0.00 H new ATOM 710 N TYR A 43 5.282 1.874 -1.641 1.00 0.00 N ATOM 711 CA TYR A 43 6.348 0.897 -1.853 1.00 0.00 C ATOM 712 C TYR A 43 6.505 -0.005 -0.623 1.00 0.00 C ATOM 713 O TYR A 43 6.253 -1.214 -0.686 1.00 0.00 O ATOM 714 CB TYR A 43 7.668 1.638 -2.140 1.00 0.00 C ATOM 715 CG TYR A 43 8.540 1.006 -3.209 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.865 -0.347 -3.183 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.041 1.778 -4.251 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.662 -0.906 -4.166 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.836 1.228 -5.232 1.00 0.00 C ATOM 720 CZ TYR A 43 10.146 -0.113 -5.188 1.00 0.00 C ATOM 721 OH TYR A 43 10.938 -0.666 -6.169 1.00 0.00 O ATOM 0 H TYR A 43 5.557 2.834 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 43 6.091 0.268 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.436 2.660 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.241 1.700 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.490 -0.969 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.802 2.830 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.905 -1.958 -4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.215 1.846 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 43 11.193 0.027 -6.813 1.00 0.00 H new ATOM 731 N SER A 44 6.896 0.603 0.497 1.00 0.00 N ATOM 732 CA SER A 44 7.095 -0.129 1.742 1.00 0.00 C ATOM 733 C SER A 44 5.808 -0.819 2.168 1.00 0.00 C ATOM 734 O SER A 44 5.823 -1.982 2.559 1.00 0.00 O ATOM 735 CB SER A 44 7.586 0.809 2.853 1.00 0.00 C ATOM 736 OG SER A 44 8.809 1.430 2.494 1.00 0.00 O ATOM 0 H SER A 44 7.081 1.604 0.565 1.00 0.00 H new ATOM 0 HA SER A 44 7.858 -0.888 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.832 1.571 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.718 0.246 3.777 1.00 0.00 H new ATOM 0 HG SER A 44 8.643 2.106 1.804 1.00 0.00 H new ATOM 742 N LEU A 45 4.696 -0.105 2.060 1.00 0.00 N ATOM 743 CA LEU A 45 3.398 -0.644 2.447 1.00 0.00 C ATOM 744 C LEU A 45 3.141 -1.978 1.753 1.00 0.00 C ATOM 745 O LEU A 45 2.870 -2.983 2.408 1.00 0.00 O ATOM 746 CB LEU A 45 2.281 0.350 2.103 1.00 0.00 C ATOM 747 CG LEU A 45 0.849 -0.161 2.342 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.619 -0.476 3.818 1.00 0.00 C ATOM 749 CD2 LEU A 45 -0.175 0.850 1.834 1.00 0.00 C ATOM 0 H LEU A 45 4.666 0.851 1.707 1.00 0.00 H new ATOM 0 HA LEU A 45 3.405 -0.807 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.429 1.255 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.378 0.632 1.055 1.00 0.00 H new ATOM 0 HG LEU A 45 0.721 -1.086 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.400 -0.835 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.322 -1.244 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.771 0.426 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.181 0.470 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.046 1.795 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.031 1.008 0.765 1.00 0.00 H new ATOM 761 N SER A 46 3.262 -1.988 0.432 1.00 0.00 N ATOM 762 CA SER A 46 2.943 -3.172 -0.351 1.00 0.00 C ATOM 763 C SER A 46 3.928 -4.301 -0.056 1.00 0.00 C ATOM 764 O SER A 46 3.520 -5.447 0.155 1.00 0.00 O ATOM 765 CB SER A 46 2.925 -2.837 -1.849 1.00 0.00 C ATOM 766 OG SER A 46 4.158 -2.279 -2.273 1.00 0.00 O ATOM 0 H SER A 46 3.579 -1.190 -0.118 1.00 0.00 H new ATOM 0 HA SER A 46 1.948 -3.514 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.717 -3.741 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.117 -2.135 -2.056 1.00 0.00 H new ATOM 0 HG SER A 46 4.682 -2.009 -1.490 1.00 0.00 H new ATOM 772 N LYS A 47 5.221 -3.977 0.001 1.00 0.00 N ATOM 773 CA LYS A 47 6.244 -5.000 0.203 1.00 0.00 C ATOM 774 C LYS A 47 6.177 -5.562 1.627 1.00 0.00 C ATOM 775 O LYS A 47 6.506 -6.729 1.856 1.00 0.00 O ATOM 776 CB LYS A 47 7.646 -4.450 -0.121 1.00 0.00 C ATOM 777 CG LYS A 47 8.154 -3.384 0.843 1.00 0.00 C ATOM 778 CD LYS A 47 9.370 -2.622 0.297 1.00 0.00 C ATOM 779 CE LYS A 47 10.598 -3.509 0.081 1.00 0.00 C ATOM 780 NZ LYS A 47 10.479 -4.385 -1.118 1.00 0.00 N ATOM 0 H LYS A 47 5.580 -3.026 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 47 6.047 -5.820 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.353 -5.279 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.633 -4.033 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.351 -2.677 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.420 -3.854 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.100 -2.152 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.628 -1.820 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.481 -2.879 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.751 -4.130 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.303 -5.365 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.689 -4.058 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.362 -4.345 -1.666 1.00 0.00 H new ATOM 794 N ILE A 48 5.727 -4.740 2.579 1.00 0.00 N ATOM 795 CA ILE A 48 5.549 -5.196 3.959 1.00 0.00 C ATOM 796 C ILE A 48 4.304 -6.075 4.075 1.00 0.00 C ATOM 797 O ILE A 48 4.340 -7.117 4.723 1.00 0.00 O ATOM 798 CB ILE A 48 5.454 -4.015 4.966 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.795 -3.262 5.031 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.044 -4.509 6.357 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.819 -2.130 6.039 1.00 0.00 C ATOM 0 H ILE A 48 5.481 -3.763 2.421 1.00 0.00 H new ATOM 0 HA ILE A 48 6.434 -5.778 4.216 1.00 0.00 H new ATOM 0 HB ILE A 48 4.684 -3.328 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.586 -3.970 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.022 -2.860 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.985 -3.662 7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.071 -4.996 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.784 -5.221 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.798 -1.650 6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.052 -1.399 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.625 -2.526 7.036 1.00 0.00 H new ATOM 813 N VAL A 49 3.212 -5.659 3.437 1.00 0.00 N ATOM 814 CA VAL A 49 1.984 -6.456 3.425 1.00 0.00 C ATOM 815 C VAL A 49 2.264 -7.846 2.848 1.00 0.00 C ATOM 816 O VAL A 49 1.806 -8.857 3.386 1.00 0.00 O ATOM 817 CB VAL A 49 0.862 -5.767 2.602 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.318 -6.711 2.374 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.396 -4.486 3.292 1.00 0.00 C ATOM 0 H VAL A 49 3.151 -4.780 2.924 1.00 0.00 H new ATOM 0 HA VAL A 49 1.641 -6.548 4.456 1.00 0.00 H new ATOM 0 HB VAL A 49 1.277 -5.506 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.087 -6.199 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.021 -7.592 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.731 -7.016 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.390 -4.019 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.009 -4.726 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.236 -3.798 3.387 1.00 0.00 H new ATOM 829 N VAL A 50 3.032 -7.884 1.757 1.00 0.00 N ATOM 830 CA VAL A 50 3.444 -9.148 1.145 1.00 0.00 C ATOM 831 C VAL A 50 4.352 -9.930 2.096 1.00 0.00 C ATOM 832 O VAL A 50 4.213 -11.146 2.240 1.00 0.00 O ATOM 833 CB VAL A 50 4.172 -8.920 -0.208 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.683 -10.240 -0.791 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.250 -8.217 -1.204 1.00 0.00 C ATOM 0 H VAL A 50 3.381 -7.053 1.279 1.00 0.00 H new ATOM 0 HA VAL A 50 2.541 -9.726 0.950 1.00 0.00 H new ATOM 0 HB VAL A 50 5.033 -8.279 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.188 -10.048 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.383 -10.699 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.842 -10.914 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.779 -8.066 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.367 -8.831 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.947 -7.251 -0.800 1.00 0.00 H new ATOM 845 N GLU A 51 5.267 -9.217 2.751 1.00 0.00 N ATOM 846 CA GLU A 51 6.173 -9.820 3.732 1.00 0.00 C ATOM 847 C GLU A 51 5.359 -10.449 4.869 1.00 0.00 C ATOM 848 O GLU A 51 5.701 -11.516 5.387 1.00 0.00 O ATOM 849 CB GLU A 51 7.134 -8.742 4.277 1.00 0.00 C ATOM 850 CG GLU A 51 8.523 -9.249 4.672 1.00 0.00 C ATOM 851 CD GLU A 51 8.530 -10.150 5.900 1.00 0.00 C ATOM 852 OE1 GLU A 51 8.539 -9.621 7.033 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.564 -11.388 5.737 1.00 0.00 O ATOM 0 H GLU A 51 5.402 -8.215 2.620 1.00 0.00 H new ATOM 0 HA GLU A 51 6.763 -10.603 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.249 -7.965 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.674 -8.274 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.951 -9.795 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.171 -8.393 4.859 1.00 0.00 H new ATOM 860 N GLU A 52 4.267 -9.782 5.231 1.00 0.00 N ATOM 861 CA GLU A 52 3.366 -10.260 6.275 1.00 0.00 C ATOM 862 C GLU A 52 2.479 -11.387 5.746 1.00 0.00 C ATOM 863 O GLU A 52 2.088 -12.287 6.491 1.00 0.00 O ATOM 864 CB GLU A 52 2.524 -9.095 6.813 1.00 0.00 C ATOM 865 CG GLU A 52 3.334 -8.073 7.611 1.00 0.00 C ATOM 866 CD GLU A 52 4.033 -8.682 8.822 1.00 0.00 C ATOM 867 OE1 GLU A 52 5.158 -9.204 8.670 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.465 -8.637 9.937 1.00 0.00 O ATOM 0 H GLU A 52 3.982 -8.897 4.810 1.00 0.00 H new ATOM 0 HA GLU A 52 3.957 -10.664 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.041 -8.590 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.731 -9.493 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.080 -7.619 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.672 -7.273 7.944 1.00 0.00 H new ATOM 875 N GLY A 53 2.180 -11.344 4.450 1.00 0.00 N ATOM 876 CA GLY A 53 1.461 -12.434 3.808 1.00 0.00 C ATOM 877 C GLY A 53 0.044 -12.074 3.403 1.00 0.00 C ATOM 878 O GLY A 53 -0.607 -12.842 2.687 1.00 0.00 O ATOM 0 H GLY A 53 2.423 -10.571 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.013 -12.750 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.430 -13.287 4.486 1.00 0.00 H new ATOM 882 N GLY A 54 -0.446 -10.919 3.850 1.00 0.00 N ATOM 883 CA GLY A 54 -1.798 -10.519 3.505 1.00 0.00 C ATOM 884 C GLY A 54 -2.260 -9.264 4.224 1.00 0.00 C ATOM 885 O GLY A 54 -1.960 -9.068 5.404 1.00 0.00 O ATOM 0 H GLY A 54 0.064 -10.260 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.856 -10.354 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.481 -11.335 3.740 1.00 0.00 H new ATOM 889 N TYR A 55 -2.991 -8.419 3.500 1.00 0.00 N ATOM 890 CA TYR A 55 -3.556 -7.188 4.047 1.00 0.00 C ATOM 891 C TYR A 55 -4.617 -7.500 5.103 1.00 0.00 C ATOM 892 O TYR A 55 -4.628 -6.880 6.171 1.00 0.00 O ATOM 893 CB TYR A 55 -4.138 -6.337 2.902 1.00 0.00 C ATOM 894 CG TYR A 55 -5.226 -5.357 3.304 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.954 -4.278 4.130 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.530 -5.523 2.854 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.945 -3.390 4.500 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.529 -4.641 3.219 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.232 -3.576 4.043 1.00 0.00 C ATOM 900 OH TYR A 55 -8.226 -2.698 4.413 1.00 0.00 O ATOM 0 H TYR A 55 -3.209 -8.569 2.515 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.767 -6.619 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.325 -5.780 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.540 -7.007 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.947 -4.129 4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.767 -6.355 2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.713 -2.555 5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.538 -4.785 2.861 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.023 -3.201 4.682 1.00 0.00 H new ATOM 910 N GLU A 56 -5.491 -8.468 4.812 1.00 0.00 N ATOM 911 CA GLU A 56 -6.543 -8.854 5.755 1.00 0.00 C ATOM 912 C GLU A 56 -5.937 -9.211 7.108 1.00 0.00 C ATOM 913 O GLU A 56 -6.442 -8.803 8.146 1.00 0.00 O ATOM 914 CB GLU A 56 -7.364 -10.054 5.248 1.00 0.00 C ATOM 915 CG GLU A 56 -8.468 -10.477 6.225 1.00 0.00 C ATOM 916 CD GLU A 56 -8.939 -11.912 6.034 1.00 0.00 C ATOM 917 OE1 GLU A 56 -8.114 -12.837 6.205 1.00 0.00 O ATOM 918 OE2 GLU A 56 -10.138 -12.130 5.755 1.00 0.00 O ATOM 0 H GLU A 56 -5.491 -8.994 3.938 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.209 -7.997 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.813 -9.801 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.696 -10.898 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.103 -10.357 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.319 -9.806 6.109 1.00 0.00 H new ATOM 925 N ALA A 57 -4.838 -9.963 7.082 1.00 0.00 N ATOM 926 CA ALA A 57 -4.184 -10.420 8.306 1.00 0.00 C ATOM 927 C ALA A 57 -3.805 -9.241 9.199 1.00 0.00 C ATOM 928 O ALA A 57 -4.209 -9.169 10.368 1.00 0.00 O ATOM 929 CB ALA A 57 -2.951 -11.252 7.963 1.00 0.00 C ATOM 0 H ALA A 57 -4.381 -10.269 6.223 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.887 -11.044 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.471 -11.587 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.249 -12.118 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.251 -10.645 7.389 1.00 0.00 H new ATOM 935 N ILE A 58 -3.053 -8.307 8.629 1.00 0.00 N ATOM 936 CA ILE A 58 -2.581 -7.140 9.365 1.00 0.00 C ATOM 937 C ILE A 58 -3.764 -6.276 9.800 1.00 0.00 C ATOM 938 O ILE A 58 -3.741 -5.658 10.864 1.00 0.00 O ATOM 939 CB ILE A 58 -1.625 -6.269 8.510 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.645 -7.145 7.711 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.856 -5.291 9.397 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.237 -6.358 6.764 1.00 0.00 C ATOM 0 H ILE A 58 -2.756 -8.336 7.654 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.038 -7.509 10.235 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.230 -5.702 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.014 -7.698 8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.211 -7.881 7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.190 -4.688 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.560 -4.640 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.269 -5.847 10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.902 -7.040 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.385 -5.826 6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.830 -5.640 7.331 1.00 0.00 H new ATOM 954 N CYS A 59 -4.797 -6.247 8.964 1.00 0.00 N ATOM 955 CA CYS A 59 -5.983 -5.436 9.215 1.00 0.00 C ATOM 956 C CYS A 59 -6.873 -6.086 10.271 1.00 0.00 C ATOM 957 O CYS A 59 -7.552 -5.398 11.036 1.00 0.00 O ATOM 958 CB CYS A 59 -6.760 -5.236 7.908 1.00 0.00 C ATOM 959 SG CYS A 59 -8.166 -4.109 8.040 1.00 0.00 S ATOM 0 H CYS A 59 -4.836 -6.783 8.097 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.667 -4.464 9.594 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.077 -4.857 7.148 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.118 -6.205 7.561 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.621 -3.842 6.852 1.00 0.00 H new ATOM 965 N LYS A 60 -6.847 -7.413 10.317 1.00 0.00 N ATOM 966 CA LYS A 60 -7.672 -8.173 11.248 1.00 0.00 C ATOM 967 C LYS A 60 -7.056 -8.098 12.642 1.00 0.00 C ATOM 968 O LYS A 60 -7.761 -8.056 13.654 1.00 0.00 O ATOM 969 CB LYS A 60 -7.774 -9.641 10.787 1.00 0.00 C ATOM 970 CG LYS A 60 -9.081 -10.337 11.162 1.00 0.00 C ATOM 971 CD LYS A 60 -10.258 -9.805 10.341 1.00 0.00 C ATOM 972 CE LYS A 60 -11.549 -10.566 10.630 1.00 0.00 C ATOM 973 NZ LYS A 60 -12.045 -10.330 12.011 1.00 0.00 N ATOM 0 H LYS A 60 -6.258 -7.989 9.715 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.676 -7.749 11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.657 -9.677 9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.943 -10.201 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.981 -11.411 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.281 -10.190 12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.404 -8.747 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.023 -9.881 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.314 -10.264 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.380 -11.633 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.941 -10.840 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.342 -10.673 12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.200 -9.312 12.155 1.00 0.00 H new ATOM 987 N ASP A 61 -5.722 -8.071 12.673 1.00 0.00 N ATOM 988 CA ASP A 61 -4.968 -8.005 13.928 1.00 0.00 C ATOM 989 C ASP A 61 -4.638 -6.557 14.304 1.00 0.00 C ATOM 990 O ASP A 61 -4.234 -6.279 15.435 1.00 0.00 O ATOM 991 CB ASP A 61 -3.673 -8.818 13.803 1.00 0.00 C ATOM 992 CG ASP A 61 -2.924 -8.929 15.122 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.383 -9.687 16.004 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.872 -8.275 15.278 1.00 0.00 O ATOM 0 H ASP A 61 -5.138 -8.094 11.837 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.590 -8.427 14.718 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.909 -9.818 13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.026 -8.352 13.060 1.00 0.00 H new ATOM 999 N ARG A 62 -4.809 -5.645 13.342 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.506 -4.222 13.540 1.00 0.00 C ATOM 1001 C ARG A 62 -2.997 -4.035 13.759 1.00 0.00 C ATOM 1002 O ARG A 62 -2.548 -3.090 14.410 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.325 -3.662 14.722 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.386 -2.136 14.785 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.251 -1.660 15.949 1.00 0.00 C ATOM 1006 NE ARG A 62 -6.446 -0.208 15.937 1.00 0.00 N ATOM 1007 CZ ARG A 62 -7.202 0.452 16.818 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.823 -0.198 17.796 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -7.338 1.765 16.717 1.00 0.00 N ATOM 0 H ARG A 62 -5.159 -5.869 12.410 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.789 -3.663 12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.341 -4.051 14.660 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.897 -4.035 15.653 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.378 -1.734 14.891 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.787 -1.748 13.849 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.221 -2.155 15.905 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.785 -1.954 16.889 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.975 0.332 15.211 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.724 -1.210 17.879 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.398 0.315 18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.866 2.270 15.967 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.915 2.271 17.389 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.221 -4.921 13.134 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.767 -4.980 13.312 1.00 0.00 C ATOM 1025 C ARG A 63 -0.068 -3.836 12.568 1.00 0.00 C ATOM 1026 O ARG A 63 1.162 -3.737 12.573 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.256 -6.346 12.817 1.00 0.00 C ATOM 1028 CG ARG A 63 1.220 -6.613 13.096 1.00 0.00 C ATOM 1029 CD ARG A 63 1.497 -6.885 14.571 1.00 0.00 C ATOM 1030 NE ARG A 63 0.958 -8.180 14.994 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.701 -9.195 15.440 1.00 0.00 C ATOM 1032 NH1 ARG A 63 3.017 -9.061 15.563 1.00 0.00 N ATOM 1033 NH2 ARG A 63 1.126 -10.339 15.781 1.00 0.00 N ATOM 0 H ARG A 63 -2.583 -5.621 12.487 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.534 -4.865 14.371 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.848 -7.132 13.286 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.427 -6.415 11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.549 -7.467 12.505 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.809 -5.755 12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.572 -6.863 14.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.057 -6.092 15.176 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.052 -8.315 14.944 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.465 -8.179 15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.579 -9.840 15.904 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.115 -10.445 15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.695 -11.114 16.122 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.857 -2.955 11.956 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.319 -1.794 11.243 1.00 0.00 C ATOM 1049 C TRP A 64 0.548 -0.943 12.164 1.00 0.00 C ATOM 1050 O TRP A 64 1.340 -0.126 11.699 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.449 -0.941 10.662 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.322 -1.693 9.710 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.617 -2.070 9.915 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.960 -2.176 8.409 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.087 -2.744 8.818 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.090 -2.824 7.885 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.794 -2.122 7.632 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.093 -3.411 6.630 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.801 -2.709 6.382 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.946 -3.346 5.891 1.00 0.00 C ATOM 0 H TRP A 64 -1.875 -3.022 11.939 1.00 0.00 H new ATOM 0 HA TRP A 64 0.298 -2.165 10.425 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.060 -0.554 11.477 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.020 -0.080 10.149 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.187 -1.867 10.809 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.028 -3.124 8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.093 -1.631 8.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.974 -3.904 6.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.091 -2.676 5.774 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.922 -3.795 4.909 1.00 0.00 H new ATOM 1071 N ALA A 65 0.385 -1.138 13.470 1.00 0.00 N ATOM 1072 CA ALA A 65 1.220 -0.474 14.459 1.00 0.00 C ATOM 1073 C ALA A 65 2.698 -0.709 14.153 1.00 0.00 C ATOM 1074 O ALA A 65 3.490 0.240 14.100 1.00 0.00 O ATOM 1075 CB ALA A 65 0.878 -0.976 15.857 1.00 0.00 C ATOM 0 H ALA A 65 -0.323 -1.755 13.867 1.00 0.00 H new ATOM 0 HA ALA A 65 1.027 0.598 14.417 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.509 -0.472 16.589 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.169 -0.764 16.074 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.049 -2.051 15.909 1.00 0.00 H new ATOM 1081 N ARG A 66 3.061 -1.974 13.917 1.00 0.00 N ATOM 1082 CA ARG A 66 4.458 -2.319 13.638 1.00 0.00 C ATOM 1083 C ARG A 66 4.890 -1.735 12.293 1.00 0.00 C ATOM 1084 O ARG A 66 6.029 -1.296 12.129 1.00 0.00 O ATOM 1085 CB ARG A 66 4.683 -3.846 13.646 1.00 0.00 C ATOM 1086 CG ARG A 66 4.179 -4.565 12.395 1.00 0.00 C ATOM 1087 CD ARG A 66 4.536 -6.049 12.400 1.00 0.00 C ATOM 1088 NE ARG A 66 5.979 -6.270 12.503 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.626 -7.298 11.949 1.00 0.00 C ATOM 1090 NH1 ARG A 66 5.976 -8.187 11.206 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.930 -7.431 12.132 1.00 0.00 N ATOM 0 H ARG A 66 2.417 -2.765 13.913 1.00 0.00 H new ATOM 0 HA ARG A 66 5.067 -1.887 14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.749 -4.043 13.759 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.186 -4.270 14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.097 -4.454 12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.606 -4.093 11.510 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.035 -6.539 13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.163 -6.514 11.487 1.00 0.00 H new ATOM 0 HE ARG A 66 6.527 -5.593 13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.972 -8.088 11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.481 -8.968 10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.438 -6.749 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.427 -8.215 11.710 1.00 0.00 H new ATOM 1105 N VAL A 67 3.961 -1.717 11.338 1.00 0.00 N ATOM 1106 CA VAL A 67 4.238 -1.218 9.995 1.00 0.00 C ATOM 1107 C VAL A 67 4.559 0.275 10.039 1.00 0.00 C ATOM 1108 O VAL A 67 5.595 0.715 9.537 1.00 0.00 O ATOM 1109 CB VAL A 67 3.041 -1.467 9.042 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.349 -0.967 7.629 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.662 -2.949 9.026 1.00 0.00 C ATOM 0 H VAL A 67 3.005 -2.045 11.473 1.00 0.00 H new ATOM 0 HA VAL A 67 5.101 -1.763 9.611 1.00 0.00 H new ATOM 0 HB VAL A 67 2.188 -0.901 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.492 -1.154 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.554 0.103 7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.220 -1.493 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.820 -3.102 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.513 -3.538 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.383 -3.264 10.031 1.00 0.00 H new ATOM 1121 N ALA A 68 3.674 1.042 10.665 1.00 0.00 N ATOM 1122 CA ALA A 68 3.860 2.481 10.793 1.00 0.00 C ATOM 1123 C ALA A 68 5.136 2.787 11.571 1.00 0.00 C ATOM 1124 O ALA A 68 5.860 3.728 11.244 1.00 0.00 O ATOM 1125 CB ALA A 68 2.647 3.120 11.461 1.00 0.00 C ATOM 0 H ALA A 68 2.818 0.689 11.093 1.00 0.00 H new ATOM 0 HA ALA A 68 3.960 2.908 9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.804 4.195 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.758 2.931 10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.511 2.692 12.454 1.00 0.00 H new ATOM 1131 N GLN A 69 5.417 1.976 12.592 1.00 0.00 N ATOM 1132 CA GLN A 69 6.643 2.128 13.373 1.00 0.00 C ATOM 1133 C GLN A 69 7.859 1.911 12.468 1.00 0.00 C ATOM 1134 O GLN A 69 8.848 2.642 12.552 1.00 0.00 O ATOM 1135 CB GLN A 69 6.650 1.134 14.553 1.00 0.00 C ATOM 1136 CG GLN A 69 7.590 1.506 15.705 1.00 0.00 C ATOM 1137 CD GLN A 69 9.073 1.362 15.378 1.00 0.00 C ATOM 1138 OE1 GLN A 69 9.472 0.514 14.578 1.00 0.00 O ATOM 1139 NE2 GLN A 69 9.899 2.191 15.999 1.00 0.00 N ATOM 0 H GLN A 69 4.815 1.211 12.896 1.00 0.00 H new ATOM 0 HA GLN A 69 6.689 3.137 13.782 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.636 1.049 14.944 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.930 0.150 14.178 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.394 2.537 16.000 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.357 0.878 16.565 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.532 2.880 16.655 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.902 2.140 15.821 1.00 0.00 H new ATOM 1148 N ARG A 70 7.758 0.914 11.585 1.00 0.00 N ATOM 1149 CA ARG A 70 8.831 0.582 10.647 1.00 0.00 C ATOM 1150 C ARG A 70 9.089 1.762 9.706 1.00 0.00 C ATOM 1151 O ARG A 70 10.239 2.114 9.436 1.00 0.00 O ATOM 1152 CB ARG A 70 8.458 -0.686 9.852 1.00 0.00 C ATOM 1153 CG ARG A 70 9.628 -1.390 9.152 1.00 0.00 C ATOM 1154 CD ARG A 70 10.118 -0.649 7.911 1.00 0.00 C ATOM 1155 NE ARG A 70 11.199 -1.374 7.240 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.648 -1.097 6.015 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.156 -0.068 5.334 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.608 -1.841 5.483 1.00 0.00 N ATOM 0 H ARG A 70 6.935 0.318 11.501 1.00 0.00 H new ATOM 0 HA ARG A 70 9.747 0.383 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.984 -1.394 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.715 -0.418 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.454 -1.494 9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.321 -2.397 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.288 -0.510 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.467 0.344 8.194 1.00 0.00 H new ATOM 0 HE ARG A 70 11.639 -2.144 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.430 0.517 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.505 0.137 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.000 -2.621 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.955 -1.633 4.547 1.00 0.00 H new ATOM 1172 N LEU A 71 8.008 2.376 9.222 1.00 0.00 N ATOM 1173 CA LEU A 71 8.104 3.546 8.342 1.00 0.00 C ATOM 1174 C LEU A 71 8.408 4.815 9.145 1.00 0.00 C ATOM 1175 O LEU A 71 8.422 5.920 8.597 1.00 0.00 O ATOM 1176 CB LEU A 71 6.816 3.723 7.516 1.00 0.00 C ATOM 1177 CG LEU A 71 6.674 2.795 6.291 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.634 1.330 6.707 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.433 3.160 5.478 1.00 0.00 C ATOM 0 H LEU A 71 7.052 2.083 9.424 1.00 0.00 H new ATOM 0 HA LEU A 71 8.930 3.375 7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.961 3.562 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.765 4.757 7.174 1.00 0.00 H new ATOM 0 HG LEU A 71 7.553 2.938 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.533 0.703 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.556 1.075 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.784 1.163 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.352 2.494 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.546 3.057 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.515 4.190 5.132 1.00 0.00 H new ATOM 1191 N ASN A 72 8.644 4.638 10.445 1.00 0.00 N ATOM 1192 CA ASN A 72 9.077 5.721 11.333 1.00 0.00 C ATOM 1193 C ASN A 72 8.007 6.799 11.487 1.00 0.00 C ATOM 1194 O ASN A 72 8.317 7.975 11.703 1.00 0.00 O ATOM 1195 CB ASN A 72 10.405 6.327 10.853 1.00 0.00 C ATOM 1196 CG ASN A 72 11.564 5.354 10.998 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.199 5.281 12.050 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.847 4.599 9.947 1.00 0.00 N ATOM 0 H ASN A 72 8.541 3.738 10.914 1.00 0.00 H new ATOM 0 HA ASN A 72 9.236 5.285 12.319 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.311 6.624 9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.618 7.231 11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.614 3.928 9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.298 4.688 9.092 1.00 0.00 H new ATOM 1205 N TYR A 73 6.747 6.394 11.392 1.00 0.00 N ATOM 1206 CA TYR A 73 5.637 7.285 11.703 1.00 0.00 C ATOM 1207 C TYR A 73 5.469 7.366 13.220 1.00 0.00 C ATOM 1208 O TYR A 73 5.795 6.407 13.928 1.00 0.00 O ATOM 1209 CB TYR A 73 4.330 6.789 11.061 1.00 0.00 C ATOM 1210 CG TYR A 73 4.340 6.780 9.543 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.828 7.865 8.821 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.852 5.688 8.833 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.831 7.859 7.439 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.849 5.678 7.454 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.339 6.763 6.759 1.00 0.00 C ATOM 1216 OH TYR A 73 4.335 6.754 5.382 1.00 0.00 O ATOM 0 H TYR A 73 6.469 5.456 11.103 1.00 0.00 H new ATOM 0 HA TYR A 73 5.859 8.272 11.298 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.125 5.779 11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.509 7.420 11.403 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.211 8.726 9.349 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.469 4.833 9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.216 8.708 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.464 4.822 6.920 1.00 0.00 H new ATOM 0 HH TYR A 73 3.957 5.909 5.061 1.00 0.00 H new ATOM 1226 N PRO A 74 4.995 8.513 13.744 1.00 0.00 N ATOM 1227 CA PRO A 74 4.726 8.677 15.179 1.00 0.00 C ATOM 1228 C PRO A 74 3.885 7.524 15.748 1.00 0.00 C ATOM 1229 O PRO A 74 2.834 7.184 15.194 1.00 0.00 O ATOM 1230 CB PRO A 74 3.957 10.002 15.240 1.00 0.00 C ATOM 1231 CG PRO A 74 4.456 10.770 14.065 1.00 0.00 C ATOM 1232 CD PRO A 74 4.709 9.749 12.986 1.00 0.00 C ATOM 0 HA PRO A 74 5.638 8.675 15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.881 9.841 15.182 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.150 10.532 16.173 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.723 11.509 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.368 11.313 14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.843 9.630 12.335 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.548 10.034 12.352 1.00 0.00 H new ATOM 1240 N PRO A 75 4.349 6.903 16.854 1.00 0.00 N ATOM 1241 CA PRO A 75 3.670 5.754 17.477 1.00 0.00 C ATOM 1242 C PRO A 75 2.239 6.075 17.918 1.00 0.00 C ATOM 1243 O PRO A 75 1.832 7.240 17.963 1.00 0.00 O ATOM 1244 CB PRO A 75 4.550 5.429 18.697 1.00 0.00 C ATOM 1245 CG PRO A 75 5.877 6.030 18.384 1.00 0.00 C ATOM 1246 CD PRO A 75 5.580 7.267 17.582 1.00 0.00 C ATOM 0 HA PRO A 75 3.565 4.925 16.777 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.131 5.851 19.610 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.630 4.353 18.851 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.421 6.275 19.296 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.499 5.336 17.819 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.428 8.136 18.222 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.395 7.511 16.900 1.00 0.00 H new ATOM 1254 N GLY A 76 1.486 5.029 18.254 1.00 0.00 N ATOM 1255 CA GLY A 76 0.110 5.196 18.696 1.00 0.00 C ATOM 1256 C GLY A 76 -0.899 4.774 17.643 1.00 0.00 C ATOM 1257 O GLY A 76 -2.106 4.806 17.889 1.00 0.00 O ATOM 0 H GLY A 76 1.808 4.061 18.228 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.050 4.611 19.602 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.059 6.241 18.957 1.00 0.00 H new ATOM 1261 N LYS A 77 -0.393 4.352 16.477 1.00 0.00 N ATOM 1262 CA LYS A 77 -1.229 3.933 15.340 1.00 0.00 C ATOM 1263 C LYS A 77 -1.930 5.133 14.697 1.00 0.00 C ATOM 1264 O LYS A 77 -2.796 4.961 13.835 1.00 0.00 O ATOM 1265 CB LYS A 77 -2.285 2.895 15.771 1.00 0.00 C ATOM 1266 CG LYS A 77 -1.722 1.691 16.521 1.00 0.00 C ATOM 1267 CD LYS A 77 -2.830 0.763 17.022 1.00 0.00 C ATOM 1268 CE LYS A 77 -3.859 1.506 17.876 1.00 0.00 C ATOM 1269 NZ LYS A 77 -3.231 2.249 19.005 1.00 0.00 N ATOM 0 H LYS A 77 0.608 4.291 16.293 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.563 3.475 14.608 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.023 3.388 16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.811 2.541 14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.052 1.135 15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.127 2.036 17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.331 0.303 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.389 -0.045 17.607 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.412 2.205 17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.582 0.792 18.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.955 2.476 19.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.491 1.661 19.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.808 3.130 18.648 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.528 6.343 15.094 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.198 7.568 14.646 1.00 0.00 C ATOM 1285 C ASN A 78 -2.211 7.666 13.120 1.00 0.00 C ATOM 1286 O ASN A 78 -3.261 7.877 12.510 1.00 0.00 O ATOM 1287 CB ASN A 78 -1.522 8.812 15.243 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.317 10.085 14.979 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.547 10.058 14.910 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -1.627 11.206 14.835 1.00 0.00 N ATOM 0 H ASN A 78 -0.742 6.501 15.725 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.228 7.524 14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.403 8.677 16.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.522 8.917 14.822 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.113 12.085 14.661 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.609 11.190 14.898 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.040 7.508 12.511 1.00 0.00 N ATOM 1298 CA ILE A 79 -0.914 7.544 11.053 1.00 0.00 C ATOM 1299 C ILE A 79 -1.382 6.214 10.456 1.00 0.00 C ATOM 1300 O ILE A 79 -1.798 6.147 9.295 1.00 0.00 O ATOM 1301 CB ILE A 79 0.553 7.843 10.608 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.987 9.268 11.019 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.724 7.656 9.098 1.00 0.00 C ATOM 1304 CD1 ILE A 79 1.115 9.483 12.514 1.00 0.00 C ATOM 0 H ILE A 79 -0.161 7.353 13.004 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.545 8.352 10.683 1.00 0.00 H new ATOM 0 HB ILE A 79 1.196 7.127 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.945 9.491 10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.265 9.982 10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.755 7.871 8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.483 6.628 8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.056 8.336 8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.423 10.510 12.709 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.153 9.296 12.992 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.860 8.798 12.918 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.341 5.165 11.277 1.00 0.00 N ATOM 1317 CA GLY A 80 -1.711 3.834 10.829 1.00 0.00 C ATOM 1318 C GLY A 80 -3.134 3.771 10.304 1.00 0.00 C ATOM 1319 O GLY A 80 -3.393 3.144 9.277 1.00 0.00 O ATOM 0 H GLY A 80 -1.055 5.217 12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.024 3.514 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.601 3.132 11.656 1.00 0.00 H new ATOM 1323 N SER A 81 -4.053 4.431 11.003 1.00 0.00 N ATOM 1324 CA SER A 81 -5.455 4.465 10.593 1.00 0.00 C ATOM 1325 C SER A 81 -5.598 5.180 9.250 1.00 0.00 C ATOM 1326 O SER A 81 -6.310 4.718 8.358 1.00 0.00 O ATOM 1327 CB SER A 81 -6.295 5.169 11.663 1.00 0.00 C ATOM 1328 OG SER A 81 -5.780 6.461 11.942 1.00 0.00 O ATOM 0 H SER A 81 -3.852 4.951 11.858 1.00 0.00 H new ATOM 0 HA SER A 81 -5.814 3.442 10.479 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.328 5.250 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.304 4.572 12.575 1.00 0.00 H new ATOM 0 HG SER A 81 -6.333 6.893 12.627 1.00 0.00 H new ATOM 1334 N LEU A 82 -4.901 6.306 9.126 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.889 7.104 7.901 1.00 0.00 C ATOM 1336 C LEU A 82 -4.483 6.227 6.710 1.00 0.00 C ATOM 1337 O LEU A 82 -5.209 6.122 5.708 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.914 8.291 8.100 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.822 9.338 6.969 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.906 8.866 5.837 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.213 9.687 6.441 1.00 0.00 C ATOM 0 H LEU A 82 -4.326 6.693 9.874 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.883 7.498 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.199 8.810 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.916 7.883 8.262 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.379 10.241 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.866 9.629 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.903 8.694 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.296 7.939 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.125 10.426 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.690 8.788 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.817 10.096 7.251 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.332 5.584 6.850 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.807 4.675 5.835 1.00 0.00 C ATOM 1355 C LEU A 83 -3.828 3.579 5.517 1.00 0.00 C ATOM 1356 O LEU A 83 -4.197 3.361 4.355 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.497 4.054 6.347 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.846 3.003 5.432 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.486 3.609 4.079 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.389 2.403 6.105 1.00 0.00 C ATOM 0 H LEU A 83 -2.734 5.677 7.671 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.612 5.231 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.779 4.857 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.691 3.593 7.316 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.567 2.204 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.027 2.847 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.389 3.983 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.215 4.431 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.839 1.661 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.112 3.193 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.098 1.927 7.041 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.304 2.926 6.570 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.209 1.790 6.444 1.00 0.00 C ATOM 1374 C ARG A 84 -6.499 2.202 5.729 1.00 0.00 C ATOM 1375 O ARG A 84 -7.036 1.443 4.930 1.00 0.00 O ATOM 1376 CB ARG A 84 -5.519 1.218 7.842 1.00 0.00 C ATOM 1377 CG ARG A 84 -5.745 -0.295 7.884 1.00 0.00 C ATOM 1378 CD ARG A 84 -6.978 -0.739 7.110 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.189 -0.075 7.587 1.00 0.00 N ATOM 1380 CZ ARG A 84 -9.347 -0.083 6.931 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -9.481 -0.791 5.816 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.378 0.607 7.399 1.00 0.00 N ATOM 0 H ARG A 84 -4.074 3.168 7.534 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.727 1.018 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.695 1.466 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.407 1.714 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.868 -0.798 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.842 -0.613 8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.839 -0.523 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.095 -1.819 7.203 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.144 0.424 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.694 -1.332 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.371 -0.794 5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.283 1.144 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.266 0.601 6.897 1.00 0.00 H new ATOM 1396 N SER A 85 -6.973 3.416 6.006 1.00 0.00 N ATOM 1397 CA SER A 85 -8.245 3.890 5.457 1.00 0.00 C ATOM 1398 C SER A 85 -8.082 4.425 4.034 1.00 0.00 C ATOM 1399 O SER A 85 -9.069 4.586 3.307 1.00 0.00 O ATOM 1400 CB SER A 85 -8.853 4.961 6.371 1.00 0.00 C ATOM 1401 OG SER A 85 -8.986 4.478 7.699 1.00 0.00 O ATOM 0 H SER A 85 -6.497 4.089 6.606 1.00 0.00 H new ATOM 0 HA SER A 85 -8.925 3.039 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.223 5.850 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.829 5.259 5.989 1.00 0.00 H new ATOM 0 HG SER A 85 -8.109 4.478 8.136 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.849 4.731 3.639 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.566 5.044 2.238 1.00 0.00 C ATOM 1409 C HIS A 86 -6.269 3.767 1.460 1.00 0.00 C ATOM 1410 O HIS A 86 -6.357 3.743 0.228 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.397 6.026 2.103 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.765 7.448 2.406 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.706 8.154 1.688 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.302 8.299 3.345 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.802 9.376 2.174 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.960 9.492 3.182 1.00 0.00 N ATOM 0 H HIS A 86 -6.039 4.769 4.258 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.453 5.521 1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.595 5.717 2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.003 5.970 1.088 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -7.244 7.788 0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.550 8.081 4.089 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.459 10.151 1.808 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.919 2.711 2.189 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.594 1.421 1.584 1.00 0.00 C ATOM 1427 C TYR A 87 -6.692 0.965 0.617 1.00 0.00 C ATOM 1428 O TYR A 87 -6.407 0.696 -0.552 1.00 0.00 O ATOM 1429 CB TYR A 87 -5.367 0.349 2.665 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.611 -0.878 2.171 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.203 -1.795 1.303 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.298 -1.114 2.568 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.509 -2.902 0.851 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.600 -2.219 2.118 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.209 -3.110 1.261 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.514 -4.209 0.807 1.00 0.00 O ATOM 0 H TYR A 87 -5.853 2.723 3.207 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.671 1.551 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.816 0.794 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.333 0.034 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.221 -1.638 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.815 -0.420 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.984 -3.602 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.581 -2.383 2.437 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.558 -3.997 0.764 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.945 0.904 1.087 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.037 0.351 0.267 1.00 0.00 C ATOM 1448 C GLU A 88 -9.216 1.143 -1.027 1.00 0.00 C ATOM 1449 O GLU A 88 -9.621 0.596 -2.057 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.380 0.330 1.019 1.00 0.00 C ATOM 1451 CG GLU A 88 -10.315 -0.244 2.431 1.00 0.00 C ATOM 1452 CD GLU A 88 -10.303 0.846 3.486 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -9.404 1.701 3.437 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -11.203 0.857 4.357 1.00 0.00 O ATOM 0 H GLU A 88 -8.227 1.224 2.014 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.748 -0.674 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.766 1.348 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.096 -0.251 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.170 -0.899 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.420 -0.857 2.533 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.897 2.429 -0.973 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.209 3.344 -2.064 1.00 0.00 C ATOM 1463 C ARG A 89 -8.166 3.270 -3.182 1.00 0.00 C ATOM 1464 O ARG A 89 -8.500 3.428 -4.357 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.313 4.780 -1.530 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.150 4.905 -0.256 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.570 4.368 -0.427 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.352 5.154 -1.384 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.599 5.580 -1.163 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.218 5.290 -0.024 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -14.230 6.292 -2.086 1.00 0.00 N ATOM 0 H ARG A 89 -8.421 2.864 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.167 3.044 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.310 5.158 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.747 5.415 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.657 4.365 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.196 5.952 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.526 3.332 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.075 4.369 0.539 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.917 5.391 -2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.741 4.738 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.170 5.619 0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.764 6.515 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.182 6.617 -1.917 1.00 0.00 H new ATOM 1485 N ILE A 90 -6.907 3.029 -2.818 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.813 3.043 -3.795 1.00 0.00 C ATOM 1487 C ILE A 90 -5.041 1.718 -3.809 1.00 0.00 C ATOM 1488 O ILE A 90 -4.770 1.159 -4.873 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.818 4.204 -3.504 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.541 5.565 -3.523 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.657 4.197 -4.504 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.155 5.924 -4.862 1.00 0.00 C ATOM 0 H ILE A 90 -6.618 2.823 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.273 3.191 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.407 4.049 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.326 5.557 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.833 6.344 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.977 5.018 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.120 3.251 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.047 4.317 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.644 6.896 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.374 5.967 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.890 5.168 -5.140 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.708 1.213 -2.626 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.751 0.111 -2.500 1.00 0.00 C ATOM 1506 C VAL A 91 -4.419 -1.263 -2.616 1.00 0.00 C ATOM 1507 O VAL A 91 -3.778 -2.234 -3.020 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.992 0.194 -1.152 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.849 -0.820 -1.102 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.480 1.614 -0.908 1.00 0.00 C ATOM 0 H VAL A 91 -5.085 1.547 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.050 0.217 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.690 -0.056 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.333 -0.740 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.251 -1.827 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.147 -0.617 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.950 1.651 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.802 1.900 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.323 2.305 -0.881 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.704 -1.337 -2.277 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.425 -2.616 -2.239 1.00 0.00 C ATOM 1522 C TYR A 92 -6.303 -3.375 -3.575 1.00 0.00 C ATOM 1523 O TYR A 92 -5.940 -4.553 -3.582 1.00 0.00 O ATOM 1524 CB TYR A 92 -7.905 -2.393 -1.872 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.524 -3.498 -1.024 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.928 -4.753 -0.911 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.707 -3.273 -0.326 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.495 -5.744 -0.132 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.275 -4.261 0.455 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.666 -5.493 0.549 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.231 -6.477 1.328 1.00 0.00 O ATOM 0 H TYR A 92 -6.271 -0.528 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.965 -3.233 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.994 -1.449 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.482 -2.293 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.009 -4.954 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.189 -2.309 -0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.022 -6.712 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.193 -4.068 0.990 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.053 -6.137 1.740 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.588 -2.722 -4.732 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.422 -3.365 -6.045 1.00 0.00 C ATOM 1543 C PRO A 93 -4.992 -3.864 -6.257 1.00 0.00 C ATOM 1544 O PRO A 93 -4.762 -4.847 -6.965 1.00 0.00 O ATOM 1545 CB PRO A 93 -6.762 -2.247 -7.047 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.622 -1.303 -6.277 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.101 -1.340 -4.867 1.00 0.00 C ATOM 0 HA PRO A 93 -7.055 -4.246 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.861 -1.755 -7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.286 -2.641 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.565 -0.296 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.669 -1.605 -6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.315 -0.602 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.887 -1.130 -4.142 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.038 -3.191 -5.618 1.00 0.00 N ATOM 1556 CA TYR A 94 -2.628 -3.536 -5.762 1.00 0.00 C ATOM 1557 C TYR A 94 -2.251 -4.742 -4.909 1.00 0.00 C ATOM 1558 O TYR A 94 -1.292 -5.447 -5.234 1.00 0.00 O ATOM 1559 CB TYR A 94 -1.729 -2.331 -5.460 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.562 -1.423 -6.663 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.558 -1.667 -7.596 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.412 -0.343 -6.885 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.406 -0.864 -8.708 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.262 0.464 -7.992 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.260 0.201 -8.900 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.118 0.996 -10.011 1.00 0.00 O ATOM 0 H TYR A 94 -4.217 -2.403 -4.995 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.466 -3.817 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.154 -1.761 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.750 -2.683 -5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.114 -2.499 -7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.202 -0.134 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.377 -1.069 -9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.928 1.300 -8.147 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.032 1.932 -9.735 1.00 0.00 H new ATOM 1576 N GLU A 95 -2.997 -4.994 -3.828 1.00 0.00 N ATOM 1577 CA GLU A 95 -2.854 -6.261 -3.118 1.00 0.00 C ATOM 1578 C GLU A 95 -3.219 -7.383 -4.072 1.00 0.00 C ATOM 1579 O GLU A 95 -2.433 -8.296 -4.315 1.00 0.00 O ATOM 1580 CB GLU A 95 -3.747 -6.365 -1.869 1.00 0.00 C ATOM 1581 CG GLU A 95 -3.799 -7.799 -1.332 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.603 -7.966 -0.059 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -5.729 -7.438 0.015 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -4.106 -8.649 0.865 1.00 0.00 O ATOM 0 H GLU A 95 -3.688 -4.354 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.821 -6.330 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.369 -5.699 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.755 -6.030 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.222 -8.446 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.781 -8.142 -1.151 1.00 0.00 H new ATOM 1591 N MET A 96 -4.419 -7.277 -4.628 1.00 0.00 N ATOM 1592 CA MET A 96 -4.950 -8.274 -5.549 1.00 0.00 C ATOM 1593 C MET A 96 -4.019 -8.428 -6.755 1.00 0.00 C ATOM 1594 O MET A 96 -3.866 -9.518 -7.304 1.00 0.00 O ATOM 1595 CB MET A 96 -6.363 -7.858 -5.995 1.00 0.00 C ATOM 1596 CG MET A 96 -7.229 -9.004 -6.508 1.00 0.00 C ATOM 1597 SD MET A 96 -6.602 -9.764 -8.017 1.00 0.00 S ATOM 1598 CE MET A 96 -7.836 -11.035 -8.277 1.00 0.00 C ATOM 0 H MET A 96 -5.052 -6.497 -4.453 1.00 0.00 H new ATOM 0 HA MET A 96 -5.011 -9.239 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.870 -7.384 -5.155 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.276 -7.106 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.305 -9.766 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.237 -8.633 -6.690 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.593 -11.600 -9.177 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.851 -11.708 -7.420 1.00 0.00 H new ATOM 0 HE3 MET A 96 -8.816 -10.572 -8.393 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.387 -7.325 -7.147 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.438 -7.325 -8.259 1.00 0.00 C ATOM 1610 C TYR A 97 -1.169 -8.113 -7.904 1.00 0.00 C ATOM 1611 O TYR A 97 -0.907 -9.177 -8.477 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.086 -5.880 -8.644 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.174 -5.762 -9.854 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.563 -6.268 -11.089 1.00 0.00 C ATOM 1615 CD2 TYR A 97 0.070 -5.142 -9.763 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.742 -6.162 -12.195 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.895 -5.031 -10.868 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.483 -5.544 -12.081 1.00 0.00 C ATOM 1619 OH TYR A 97 1.299 -5.436 -13.188 1.00 0.00 O ATOM 0 H TYR A 97 -3.516 -6.413 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.906 -7.817 -9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.008 -5.334 -8.844 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.607 -5.396 -7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.524 -6.752 -11.185 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.396 -4.741 -8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.060 -6.563 -13.146 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.856 -4.546 -10.782 1.00 0.00 H new ATOM 0 HH TYR A 97 2.127 -4.973 -12.940 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.396 -7.601 -6.942 1.00 0.00 N ATOM 1630 CA GLN A 98 0.878 -8.220 -6.574 1.00 0.00 C ATOM 1631 C GLN A 98 0.666 -9.649 -6.083 1.00 0.00 C ATOM 1632 O GLN A 98 1.406 -10.561 -6.459 1.00 0.00 O ATOM 1633 CB GLN A 98 1.611 -7.402 -5.502 1.00 0.00 C ATOM 1634 CG GLN A 98 2.014 -5.999 -5.956 1.00 0.00 C ATOM 1635 CD GLN A 98 3.016 -5.344 -5.016 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.835 -6.023 -4.393 1.00 0.00 O ATOM 1637 NE2 GLN A 98 2.963 -4.025 -4.910 1.00 0.00 N ATOM 0 H GLN A 98 -0.629 -6.764 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 98 1.498 -8.243 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.971 -7.318 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.505 -7.944 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.443 -6.054 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.124 -5.374 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.271 -3.498 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.615 -3.536 -4.296 1.00 0.00 H new ATOM 1646 N SER A 99 -0.345 -9.839 -5.244 1.00 0.00 N ATOM 1647 CA SER A 99 -0.695 -11.166 -4.759 1.00 0.00 C ATOM 1648 C SER A 99 -1.187 -12.031 -5.918 1.00 0.00 C ATOM 1649 O SER A 99 -0.827 -13.199 -6.023 1.00 0.00 O ATOM 1650 CB SER A 99 -1.763 -11.074 -3.663 1.00 0.00 C ATOM 1651 OG SER A 99 -1.335 -10.228 -2.608 1.00 0.00 O ATOM 0 H SER A 99 -0.937 -9.089 -4.886 1.00 0.00 H new ATOM 0 HA SER A 99 0.193 -11.629 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.692 -10.692 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.976 -12.069 -3.273 1.00 0.00 H new ATOM 0 HG SER A 99 -1.571 -9.300 -2.817 1.00 0.00 H new ATOM 1657 N GLY A 100 -1.972 -11.431 -6.813 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.482 -12.155 -7.967 1.00 0.00 C ATOM 1659 C GLY A 100 -1.363 -12.664 -8.850 1.00 0.00 C ATOM 1660 O GLY A 100 -1.527 -13.651 -9.571 1.00 0.00 O ATOM 0 H GLY A 100 -2.264 -10.455 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.090 -12.995 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.134 -11.502 -8.547 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.227 -11.979 -8.803 1.00 0.00 N ATOM 1665 CA ALA A 101 0.971 -12.431 -9.498 1.00 0.00 C ATOM 1666 C ALA A 101 1.661 -13.558 -8.722 1.00 0.00 C ATOM 1667 O ALA A 101 1.889 -14.645 -9.254 1.00 0.00 O ATOM 1668 CB ALA A 101 1.930 -11.263 -9.715 1.00 0.00 C ATOM 0 H ALA A 101 -0.111 -11.106 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 101 0.675 -12.824 -10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.821 -11.615 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.439 -10.496 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.216 -10.843 -8.751 1.00 0.00 H new ATOM 1674 N ASN A 102 1.960 -13.297 -7.451 1.00 0.00 N ATOM 1675 CA ASN A 102 2.749 -14.226 -6.630 1.00 0.00 C ATOM 1676 C ASN A 102 1.870 -15.309 -5.991 1.00 0.00 C ATOM 1677 O ASN A 102 2.029 -16.499 -6.282 1.00 0.00 O ATOM 1678 CB ASN A 102 3.512 -13.456 -5.539 1.00 0.00 C ATOM 1679 CG ASN A 102 4.567 -12.513 -6.104 1.00 0.00 C ATOM 1680 OD1 ASN A 102 5.722 -12.894 -6.296 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.178 -11.274 -6.368 1.00 0.00 N ATOM 0 H ASN A 102 1.669 -12.450 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 102 3.462 -14.722 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.802 -12.883 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.991 -14.168 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.844 -10.599 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.212 -10.995 -6.196 1.00 0.00 H new ATOM 1688 N LEU A 103 0.924 -14.894 -5.149 1.00 0.00 N ATOM 1689 CA LEU A 103 0.041 -15.826 -4.440 1.00 0.00 C ATOM 1690 C LEU A 103 -1.186 -15.076 -3.915 1.00 0.00 C ATOM 1691 O LEU A 103 -1.063 -14.131 -3.131 1.00 0.00 O ATOM 1692 CB LEU A 103 0.784 -16.540 -3.283 1.00 0.00 C ATOM 1693 CG LEU A 103 1.198 -15.670 -2.070 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.723 -16.546 -0.934 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.246 -14.628 -2.460 1.00 0.00 C ATOM 0 H LEU A 103 0.747 -13.912 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.283 -16.595 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.148 -17.347 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.683 -17.001 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 103 0.309 -15.141 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.009 -15.916 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.944 -17.241 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.592 -17.107 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.513 -14.036 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.134 -15.131 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.839 -13.973 -3.231 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.373 -15.481 -4.360 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.598 -14.761 -4.027 1.00 0.00 C ATOM 1709 C VAL A 104 -4.604 -15.660 -3.305 1.00 0.00 C ATOM 1710 O VAL A 104 -5.432 -16.331 -3.919 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.241 -14.114 -5.288 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.501 -15.152 -6.381 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.525 -13.364 -4.922 1.00 0.00 C ATOM 0 H VAL A 104 -2.512 -16.301 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.319 -13.959 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.530 -13.391 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.950 -14.665 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.559 -15.615 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.179 -15.917 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.956 -12.921 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.240 -14.059 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.295 -12.577 -4.203 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.500 -15.688 -1.984 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.473 -16.376 -1.148 1.00 0.00 C ATOM 1725 C CYS A 105 -6.541 -15.388 -0.695 1.00 0.00 C ATOM 1726 O CYS A 105 -7.651 -15.772 -0.329 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.779 -17.002 0.065 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.461 -18.157 -0.368 1.00 0.00 S ATOM 0 H CYS A 105 -3.746 -15.239 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.944 -17.173 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.364 -16.207 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.522 -17.523 0.669 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.929 -18.635 0.718 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.200 -14.100 -0.762 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.085 -13.035 -0.292 1.00 0.00 C ATOM 1736 C ASN A 106 -8.159 -12.691 -1.324 1.00 0.00 C ATOM 1737 O ASN A 106 -8.805 -11.649 -1.228 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.276 -11.785 0.085 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.379 -12.020 1.292 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -5.670 -12.856 2.147 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -4.294 -11.273 1.387 1.00 0.00 N ATOM 0 H ASN A 106 -5.312 -13.769 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.594 -13.403 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.665 -11.480 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.960 -10.963 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.669 -11.380 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.081 -10.589 0.661 1.00 0.00 H new ATOM 1748 N THR A 107 -8.372 -13.585 -2.290 1.00 0.00 N ATOM 1749 CA THR A 107 -9.421 -13.401 -3.290 1.00 0.00 C ATOM 1750 C THR A 107 -10.795 -13.337 -2.614 1.00 0.00 C ATOM 1751 O THR A 107 -11.660 -12.553 -3.010 1.00 0.00 O ATOM 1752 CB THR A 107 -9.404 -14.532 -4.356 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.461 -14.335 -5.306 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.544 -15.909 -3.712 1.00 0.00 C ATOM 0 H THR A 107 -7.832 -14.443 -2.400 1.00 0.00 H new ATOM 0 HA THR A 107 -9.226 -12.458 -3.801 1.00 0.00 H new ATOM 0 HB THR A 107 -8.442 -14.490 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.439 -15.053 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.528 -16.676 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.717 -16.073 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.487 -15.962 -3.168 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.982 -14.156 -1.580 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.232 -14.167 -0.820 1.00 0.00 C ATOM 1764 C ARG A 108 -12.133 -13.280 0.426 1.00 0.00 C ATOM 1765 O ARG A 108 -13.042 -12.499 0.677 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.644 -15.602 -0.456 1.00 0.00 C ATOM 1767 CG ARG A 108 -13.121 -16.413 -1.655 1.00 0.00 C ATOM 1768 CD ARG A 108 -14.371 -15.799 -2.282 1.00 0.00 C ATOM 1769 NE ARG A 108 -14.705 -16.414 -3.565 1.00 0.00 N ATOM 1770 CZ ARG A 108 -15.790 -16.115 -4.281 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -16.689 -15.251 -3.818 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -15.977 -16.696 -5.456 1.00 0.00 N ATOM 0 H ARG A 108 -10.283 -14.821 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.013 -13.750 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.797 -16.110 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.438 -15.567 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.327 -16.465 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.333 -17.436 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -15.212 -15.912 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.216 -14.729 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.067 -17.118 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.552 -14.811 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.516 -15.029 -4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.294 -17.367 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.804 -16.473 -6.009 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.045 -13.391 1.236 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.785 -12.468 2.359 1.00 0.00 C ATOM 1788 C PRO A 109 -11.073 -10.999 2.021 1.00 0.00 C ATOM 1789 O PRO A 109 -11.457 -10.221 2.894 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.301 -12.693 2.629 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.118 -14.146 2.358 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.016 -14.456 1.183 1.00 0.00 C ATOM 0 HA PRO A 109 -11.433 -12.664 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.677 -12.081 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.036 -12.439 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.077 -14.374 2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.390 -14.744 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.466 -14.435 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.461 -15.447 1.270 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.880 -10.637 0.754 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.264 -9.318 0.240 1.00 0.00 C ATOM 1802 C PHE A 110 -12.748 -9.065 0.554 1.00 0.00 C ATOM 1803 O PHE A 110 -13.112 -8.186 1.354 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.024 -9.295 -1.288 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.078 -7.932 -1.954 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.159 -7.077 -1.772 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.044 -7.519 -2.789 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.204 -5.846 -2.398 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.085 -6.287 -3.414 1.00 0.00 C ATOM 1810 CZ PHE A 110 -11.166 -5.450 -3.219 1.00 0.00 C ATOM 0 H PHE A 110 -10.455 -11.246 0.055 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.668 -8.536 0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.047 -9.736 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.767 -9.937 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.975 -7.379 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.198 -8.170 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.051 -5.193 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.272 -5.979 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 110 -11.200 -4.487 -3.708 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.589 -9.885 -0.071 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.035 -9.835 0.118 1.00 0.00 C ATOM 1822 C ASP A 111 -15.373 -9.994 1.597 1.00 0.00 C ATOM 1823 O ASP A 111 -16.197 -9.261 2.144 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.689 -10.955 -0.707 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.206 -10.978 -0.605 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -17.865 -10.195 -1.321 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.746 -11.808 0.162 1.00 0.00 O ATOM 0 H ASP A 111 -13.285 -10.606 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.417 -8.871 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.405 -10.838 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.296 -11.916 -0.376 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.683 -10.932 2.236 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.870 -11.228 3.652 1.00 0.00 C ATOM 1834 C ASN A 112 -14.747 -9.966 4.501 1.00 0.00 C ATOM 1835 O ASN A 112 -15.650 -9.645 5.271 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.847 -12.279 4.107 1.00 0.00 C ATOM 1837 CG ASN A 112 -13.809 -12.466 5.615 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.556 -13.267 6.175 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -12.917 -11.746 6.280 1.00 0.00 N ATOM 0 H ASN A 112 -13.975 -11.511 1.785 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.876 -11.625 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.082 -13.233 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.856 -11.987 3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.833 -11.846 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.315 -11.092 5.780 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.641 -9.237 4.347 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.420 -8.037 5.144 1.00 0.00 C ATOM 1848 C GLU A 113 -14.480 -6.992 4.823 1.00 0.00 C ATOM 1849 O GLU A 113 -14.978 -6.305 5.721 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.023 -7.439 4.929 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.751 -6.254 5.856 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.412 -5.579 5.616 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.375 -6.156 5.999 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.401 -4.444 5.089 1.00 0.00 O ATOM 0 H GLU A 113 -12.895 -9.455 3.686 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.493 -8.332 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.270 -8.209 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.923 -7.117 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.545 -5.518 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.794 -6.597 6.890 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.833 -6.880 3.543 1.00 0.00 N ATOM 1862 CA GLU A 114 -15.857 -5.925 3.126 1.00 0.00 C ATOM 1863 C GLU A 114 -17.184 -6.220 3.832 1.00 0.00 C ATOM 1864 O GLU A 114 -17.926 -5.303 4.190 1.00 0.00 O ATOM 1865 CB GLU A 114 -16.060 -5.947 1.604 1.00 0.00 C ATOM 1866 CG GLU A 114 -16.977 -4.830 1.106 1.00 0.00 C ATOM 1867 CD GLU A 114 -17.318 -4.940 -0.369 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -16.478 -4.563 -1.213 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -18.439 -5.389 -0.693 1.00 0.00 O ATOM 0 H GLU A 114 -14.430 -7.432 2.785 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.513 -4.930 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.091 -5.860 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.479 -6.910 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.900 -4.842 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.498 -3.868 1.289 1.00 0.00 H new ATOM 1876 N LYS A 115 -17.475 -7.505 4.038 1.00 0.00 N ATOM 1877 CA LYS A 115 -18.719 -7.920 4.691 1.00 0.00 C ATOM 1878 C LYS A 115 -18.517 -8.091 6.200 1.00 0.00 C ATOM 1879 O LYS A 115 -19.481 -8.342 6.933 1.00 0.00 O ATOM 1880 CB LYS A 115 -19.221 -9.251 4.105 1.00 0.00 C ATOM 1881 CG LYS A 115 -19.168 -9.345 2.582 1.00 0.00 C ATOM 1882 CD LYS A 115 -19.872 -8.181 1.894 1.00 0.00 C ATOM 1883 CE LYS A 115 -19.805 -8.314 0.378 1.00 0.00 C ATOM 1884 NZ LYS A 115 -20.430 -7.159 -0.316 1.00 0.00 N ATOM 0 H LYS A 115 -16.867 -8.277 3.763 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.457 -7.138 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.627 -10.063 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -20.250 -9.408 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.127 -9.376 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.627 -10.281 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.914 -8.143 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.411 -7.242 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.763 -8.401 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.306 -9.233 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.086 -7.505 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.952 -6.581 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.690 -6.581 -0.763 1.00 0.00 H new ATOM 1898 N ASP A 116 -17.260 -7.953 6.639 1.00 0.00 N ATOM 1899 CA ASP A 116 -16.834 -8.254 8.015 1.00 0.00 C ATOM 1900 C ASP A 116 -16.798 -9.766 8.221 1.00 0.00 C ATOM 1901 O ASP A 116 -15.743 -10.327 8.505 1.00 0.00 O ATOM 1902 CB ASP A 116 -17.735 -7.579 9.065 1.00 0.00 C ATOM 1903 CG ASP A 116 -17.451 -8.065 10.483 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -16.508 -7.550 11.126 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -18.177 -8.967 10.962 1.00 0.00 O ATOM 0 H ASP A 116 -16.500 -7.625 6.043 1.00 0.00 H new ATOM 0 HA ASP A 116 -15.833 -7.845 8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -17.593 -6.499 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -18.779 -7.773 8.821 1.00 0.00 H new ATOM 1910 N LYS A 117 -17.971 -10.382 8.061 1.00 0.00 N ATOM 1911 CA LYS A 117 -18.180 -11.838 8.082 1.00 0.00 C ATOM 1912 C LYS A 117 -19.684 -12.110 8.173 1.00 0.00 C ATOM 1913 O LYS A 117 -20.347 -12.145 7.119 1.00 0.00 O ATOM 1914 CB LYS A 117 -17.439 -12.557 9.240 1.00 0.00 C ATOM 1915 CG LYS A 117 -16.052 -13.078 8.860 1.00 0.00 C ATOM 1916 CD LYS A 117 -15.406 -13.892 9.976 1.00 0.00 C ATOM 1917 CE LYS A 117 -13.912 -14.086 9.732 1.00 0.00 C ATOM 1918 NZ LYS A 117 -13.625 -14.674 8.394 1.00 0.00 N ATOM 1919 OXT LYS A 117 -20.203 -12.244 9.306 1.00 0.00 O ATOM 0 H LYS A 117 -18.836 -9.864 7.907 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.759 -12.243 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -17.340 -11.867 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -18.048 -13.393 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.132 -13.695 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.407 -12.235 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.558 -13.388 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.894 -14.864 10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.405 -13.125 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.502 -14.735 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.615 -14.911 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.192 -15.536 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.868 -13.986 7.653 1.00 0.00 H new TER 1933 LYS A 117