USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 76 LYS NZ :NH3+ -178:sc= -0.729 (180deg=-0.752) USER MOD Set 1.2: A 78 TYR OH : rot 98:sc=-0.00935 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -140:sc= -2.22 (180deg=-3.88!) USER MOD Set 2.2: A 50 MET CE :methyl -149:sc= -13.4! (180deg=-18.2!) USER MOD Set 3.1: A 13 SER OG : rot -79:sc= 0.831 USER MOD Set 3.2: A 17 GLN : amide:sc= 1.01 K(o=1.8,f=1.3) USER MOD Set 4.1: A 1 SER N :NH3+ -171:sc= 0.315 (180deg=0) USER MOD Set 4.2: A 44 SER OG : rot -38:sc= 1.35 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0195 (180deg=-0.227) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00092 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -7.73! C(o=-7.7!,f=-6.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.93 X(o=-2.9,f=-3.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 51:sc= -2.35! USER MOD Single : A 43 CYS SG : rot 83:sc= -2.95! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 150:sc= -1.37 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.76! C(o=-4.8!,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00657 USER MOD Single : A 71 SER OG : rot 165:sc= -0.502 USER MOD Single : A 72 MET CE :methyl -155:sc= -2.05 (180deg=-3.43!) USER MOD Single : A 74 THR OG1 : rot -110:sc= 0.875 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.7) USER MOD Single : A 82 SER OG : rot 40:sc= 0.488 USER MOD Single : A 83 SER OG : rot 63:sc= 0.119 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -3.74! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.215 9.145 -2.965 1.00 0.00 N ATOM 2 CA SER A 1 7.068 9.944 -2.459 1.00 0.00 C ATOM 3 C SER A 1 5.780 9.132 -2.474 1.00 0.00 C ATOM 4 O SER A 1 5.127 9.010 -3.510 1.00 0.00 O ATOM 5 CB SER A 1 6.907 11.184 -3.341 1.00 0.00 C ATOM 6 OG SER A 1 7.594 12.294 -2.791 1.00 0.00 O ATOM 0 H1 SER A 1 9.100 9.666 -2.802 1.00 0.00 H new ATOM 0 H2 SER A 1 8.252 8.235 -2.463 1.00 0.00 H new ATOM 0 H3 SER A 1 8.096 8.974 -3.984 1.00 0.00 H new ATOM 0 HA SER A 1 7.268 10.234 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.289 10.975 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.849 11.424 -3.447 1.00 0.00 H new ATOM 0 HG SER A 1 7.477 13.073 -3.374 1.00 0.00 H new ATOM 11 N VAL A 2 5.404 8.593 -1.319 1.00 0.00 N ATOM 12 CA VAL A 2 4.178 7.817 -1.218 1.00 0.00 C ATOM 13 C VAL A 2 2.982 8.715 -1.522 1.00 0.00 C ATOM 14 O VAL A 2 2.978 9.894 -1.169 1.00 0.00 O ATOM 15 CB VAL A 2 4.029 7.162 0.174 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.835 6.223 0.189 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.304 6.415 0.545 1.00 0.00 C ATOM 0 H VAL A 2 5.927 8.679 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 2 4.221 7.010 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 2 3.861 7.945 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.742 5.769 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.928 6.783 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.977 5.442 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.185 5.958 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.499 5.639 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.141 7.113 0.568 1.00 0.00 H new ATOM 27 N LYS A 3 1.988 8.167 -2.211 1.00 0.00 N ATOM 28 CA LYS A 3 0.813 8.940 -2.596 1.00 0.00 C ATOM 29 C LYS A 3 -0.343 8.731 -1.643 1.00 0.00 C ATOM 30 O LYS A 3 -0.604 7.621 -1.192 1.00 0.00 O ATOM 31 CB LYS A 3 0.368 8.573 -4.009 1.00 0.00 C ATOM 32 CG LYS A 3 0.209 9.786 -4.893 1.00 0.00 C ATOM 33 CD LYS A 3 -1.062 9.730 -5.729 1.00 0.00 C ATOM 34 CE LYS A 3 -1.420 11.096 -6.291 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.894 12.027 -5.230 1.00 0.00 N ATOM 0 H LYS A 3 1.972 7.193 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 3 1.102 9.990 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.098 7.896 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.579 8.035 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.195 10.684 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.072 9.867 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.930 9.022 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.885 9.360 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.549 11.524 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.195 10.985 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.392 12.828 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.542 11.524 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.079 12.380 -4.689 1.00 0.00 H new ATOM 49 N ILE A 4 -1.040 9.817 -1.353 1.00 0.00 N ATOM 50 CA ILE A 4 -2.188 9.768 -0.463 1.00 0.00 C ATOM 51 C ILE A 4 -3.467 10.058 -1.237 1.00 0.00 C ATOM 52 O ILE A 4 -3.684 11.176 -1.705 1.00 0.00 O ATOM 53 CB ILE A 4 -2.051 10.774 0.700 1.00 0.00 C ATOM 54 CG1 ILE A 4 -3.223 10.627 1.673 1.00 0.00 C ATOM 55 CG2 ILE A 4 -1.972 12.199 0.170 1.00 0.00 C ATOM 56 CD1 ILE A 4 -3.193 9.337 2.464 1.00 0.00 C ATOM 0 H ILE A 4 -0.830 10.745 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.232 8.764 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.127 10.557 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.218 11.469 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.157 10.680 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.876 12.893 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.106 12.296 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.878 12.429 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.053 9.300 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.229 8.490 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.275 9.291 3.050 1.00 0.00 H new ATOM 68 N VAL A 5 -4.307 9.042 -1.376 1.00 0.00 N ATOM 69 CA VAL A 5 -5.562 9.182 -2.101 1.00 0.00 C ATOM 70 C VAL A 5 -6.748 9.122 -1.136 1.00 0.00 C ATOM 71 O VAL A 5 -6.884 8.174 -0.363 1.00 0.00 O ATOM 72 CB VAL A 5 -5.681 8.102 -3.202 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.219 6.748 -2.686 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.097 8.008 -3.741 1.00 0.00 C ATOM 0 H VAL A 5 -4.142 8.110 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.574 10.157 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.030 8.402 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.312 6.005 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.177 6.814 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.836 6.452 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.142 7.239 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.778 7.749 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.388 8.968 -4.168 1.00 0.00 H new ATOM 84 N THR A 6 -7.584 10.160 -1.165 1.00 0.00 N ATOM 85 CA THR A 6 -8.735 10.245 -0.267 1.00 0.00 C ATOM 86 C THR A 6 -10.053 9.861 -0.940 1.00 0.00 C ATOM 87 O THR A 6 -11.110 9.930 -0.312 1.00 0.00 O ATOM 88 CB THR A 6 -8.877 11.663 0.315 1.00 0.00 C ATOM 89 OG1 THR A 6 -8.767 12.636 -0.730 1.00 0.00 O ATOM 90 CG2 THR A 6 -7.812 11.924 1.370 1.00 0.00 C ATOM 0 H THR A 6 -7.486 10.952 -1.800 1.00 0.00 H new ATOM 0 HA THR A 6 -8.538 9.526 0.528 1.00 0.00 H new ATOM 0 HB THR A 6 -9.858 11.742 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.860 13.535 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.932 12.932 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.916 11.201 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.824 11.826 0.921 1.00 0.00 H new ATOM 98 N SER A 7 -10.005 9.452 -2.203 1.00 0.00 N ATOM 99 CA SER A 7 -11.226 9.063 -2.907 1.00 0.00 C ATOM 100 C SER A 7 -11.262 7.557 -3.144 1.00 0.00 C ATOM 101 O SER A 7 -10.221 6.907 -3.230 1.00 0.00 O ATOM 102 CB SER A 7 -11.344 9.807 -4.240 1.00 0.00 C ATOM 103 OG SER A 7 -12.678 9.784 -4.719 1.00 0.00 O ATOM 0 H SER A 7 -9.150 9.381 -2.755 1.00 0.00 H new ATOM 0 HA SER A 7 -12.074 9.335 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.017 10.839 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.682 9.350 -4.975 1.00 0.00 H new ATOM 0 HG SER A 7 -12.728 10.267 -5.570 1.00 0.00 H new ATOM 109 N GLN A 8 -12.470 7.007 -3.240 1.00 0.00 N ATOM 110 CA GLN A 8 -12.644 5.577 -3.457 1.00 0.00 C ATOM 111 C GLN A 8 -12.265 5.179 -4.885 1.00 0.00 C ATOM 112 O GLN A 8 -11.501 4.236 -5.092 1.00 0.00 O ATOM 113 CB GLN A 8 -14.095 5.186 -3.139 1.00 0.00 C ATOM 114 CG GLN A 8 -14.637 4.027 -3.957 1.00 0.00 C ATOM 115 CD GLN A 8 -13.701 2.831 -4.006 1.00 0.00 C ATOM 116 OE1 GLN A 8 -13.786 2.007 -4.917 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.806 2.722 -3.029 1.00 0.00 N ATOM 0 H GLN A 8 -13.342 7.532 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.975 5.036 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.164 4.930 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.734 6.055 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.593 3.713 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.830 4.369 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.767 3.426 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.158 1.934 -3.017 1.00 0.00 H new ATOM 126 N SER A 9 -12.798 5.900 -5.863 1.00 0.00 N ATOM 127 CA SER A 9 -12.508 5.617 -7.263 1.00 0.00 C ATOM 128 C SER A 9 -11.055 5.936 -7.576 1.00 0.00 C ATOM 129 O SER A 9 -10.412 5.240 -8.360 1.00 0.00 O ATOM 130 CB SER A 9 -13.435 6.423 -8.176 1.00 0.00 C ATOM 131 OG SER A 9 -12.904 6.520 -9.487 1.00 0.00 O ATOM 0 H SER A 9 -13.433 6.684 -5.713 1.00 0.00 H new ATOM 0 HA SER A 9 -12.680 4.556 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.416 5.950 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.578 7.422 -7.764 1.00 0.00 H new ATOM 0 HG SER A 9 -13.516 7.038 -10.050 1.00 0.00 H new ATOM 137 N GLU A 10 -10.534 6.985 -6.946 1.00 0.00 N ATOM 138 CA GLU A 10 -9.148 7.375 -7.152 1.00 0.00 C ATOM 139 C GLU A 10 -8.225 6.249 -6.705 1.00 0.00 C ATOM 140 O GLU A 10 -7.198 5.988 -7.332 1.00 0.00 O ATOM 141 CB GLU A 10 -8.830 8.660 -6.386 1.00 0.00 C ATOM 142 CG GLU A 10 -7.441 9.209 -6.667 1.00 0.00 C ATOM 143 CD GLU A 10 -7.439 10.251 -7.768 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.156 11.265 -7.626 1.00 0.00 O ATOM 145 OE2 GLU A 10 -6.722 10.055 -8.771 1.00 0.00 O ATOM 0 H GLU A 10 -11.049 7.575 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.990 7.565 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.570 9.418 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.927 8.469 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.036 9.648 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.780 8.389 -6.946 1.00 0.00 H new ATOM 152 N PHE A 11 -8.614 5.569 -5.629 1.00 0.00 N ATOM 153 CA PHE A 11 -7.835 4.452 -5.112 1.00 0.00 C ATOM 154 C PHE A 11 -7.875 3.306 -6.105 1.00 0.00 C ATOM 155 O PHE A 11 -6.841 2.772 -6.497 1.00 0.00 O ATOM 156 CB PHE A 11 -8.417 3.995 -3.768 1.00 0.00 C ATOM 157 CG PHE A 11 -8.109 2.568 -3.422 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.813 2.171 -3.144 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.120 1.624 -3.383 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.533 0.857 -2.830 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.847 0.309 -3.071 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.553 -0.075 -2.794 1.00 0.00 C ATOM 0 H PHE A 11 -9.462 5.773 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.802 4.767 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.032 4.641 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.499 4.128 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.013 2.896 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.136 1.921 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.518 0.557 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.645 -0.418 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.336 -1.104 -2.549 1.00 0.00 H new ATOM 172 N ASP A 12 -9.084 2.957 -6.515 1.00 0.00 N ATOM 173 CA ASP A 12 -9.292 1.885 -7.481 1.00 0.00 C ATOM 174 C ASP A 12 -8.674 2.247 -8.822 1.00 0.00 C ATOM 175 O ASP A 12 -8.234 1.379 -9.576 1.00 0.00 O ATOM 176 CB ASP A 12 -10.785 1.637 -7.671 1.00 0.00 C ATOM 177 CG ASP A 12 -11.433 1.012 -6.452 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.391 1.637 -5.372 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.981 -0.103 -6.576 1.00 0.00 O ATOM 0 H ASP A 12 -9.943 3.403 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.814 0.983 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.280 2.581 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.934 0.985 -8.532 1.00 0.00 H new ATOM 184 N SER A 13 -8.656 3.541 -9.112 1.00 0.00 N ATOM 185 CA SER A 13 -8.106 4.038 -10.361 1.00 0.00 C ATOM 186 C SER A 13 -6.618 3.767 -10.434 1.00 0.00 C ATOM 187 O SER A 13 -6.103 3.327 -11.463 1.00 0.00 O ATOM 188 CB SER A 13 -8.366 5.537 -10.495 1.00 0.00 C ATOM 189 OG SER A 13 -8.020 6.004 -11.787 1.00 0.00 O ATOM 0 H SER A 13 -9.019 4.267 -8.494 1.00 0.00 H new ATOM 0 HA SER A 13 -8.598 3.516 -11.182 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.418 5.745 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.790 6.077 -9.744 1.00 0.00 H new ATOM 0 HG SER A 13 -7.049 6.121 -11.843 1.00 0.00 H new ATOM 195 N ILE A 14 -5.929 4.027 -9.334 1.00 0.00 N ATOM 196 CA ILE A 14 -4.495 3.803 -9.276 1.00 0.00 C ATOM 197 C ILE A 14 -4.171 2.334 -9.508 1.00 0.00 C ATOM 198 O ILE A 14 -3.168 1.989 -10.134 1.00 0.00 O ATOM 199 CB ILE A 14 -3.931 4.226 -7.905 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.117 5.732 -7.664 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.461 3.842 -7.791 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.261 6.555 -8.927 1.00 0.00 C ATOM 0 H ILE A 14 -6.338 4.392 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.036 4.406 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.491 3.695 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.001 5.882 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.264 6.105 -7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.079 4.148 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.358 2.762 -7.898 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.893 4.341 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.388 7.605 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.367 6.440 -9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.132 6.213 -9.487 1.00 0.00 H new ATOM 214 N ILE A 15 -5.022 1.485 -8.971 1.00 0.00 N ATOM 215 CA ILE A 15 -4.846 0.038 -9.075 1.00 0.00 C ATOM 216 C ILE A 15 -4.908 -0.453 -10.528 1.00 0.00 C ATOM 217 O ILE A 15 -4.156 -1.342 -10.926 1.00 0.00 O ATOM 218 CB ILE A 15 -5.923 -0.707 -8.254 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.132 -0.024 -6.915 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.525 -2.153 -8.018 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.871 0.082 -6.099 1.00 0.00 C ATOM 0 H ILE A 15 -5.853 1.769 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.855 -0.180 -8.677 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.850 -0.684 -8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.533 0.975 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.880 -0.576 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.300 -2.654 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.405 -2.658 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.583 -2.186 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.090 0.580 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.481 -0.916 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.129 0.659 -6.650 1.00 0.00 H new ATOM 233 N SER A 16 -5.843 0.105 -11.293 1.00 0.00 N ATOM 234 CA SER A 16 -6.069 -0.297 -12.693 1.00 0.00 C ATOM 235 C SER A 16 -5.186 0.423 -13.726 1.00 0.00 C ATOM 236 O SER A 16 -4.984 -0.086 -14.829 1.00 0.00 O ATOM 237 CB SER A 16 -7.541 -0.077 -13.052 1.00 0.00 C ATOM 238 OG SER A 16 -8.236 -1.309 -13.133 1.00 0.00 O ATOM 0 H SER A 16 -6.466 0.845 -10.969 1.00 0.00 H new ATOM 0 HA SER A 16 -5.791 -1.350 -12.745 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.010 0.560 -12.302 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.612 0.447 -14.005 1.00 0.00 H new ATOM 0 HG SER A 16 -9.174 -1.141 -13.362 1.00 0.00 H new ATOM 244 N GLN A 17 -4.715 1.616 -13.399 1.00 0.00 N ATOM 245 CA GLN A 17 -3.913 2.415 -14.342 1.00 0.00 C ATOM 246 C GLN A 17 -2.429 2.057 -14.330 1.00 0.00 C ATOM 247 O GLN A 17 -1.604 2.801 -14.860 1.00 0.00 O ATOM 248 CB GLN A 17 -4.078 3.906 -14.046 1.00 0.00 C ATOM 249 CG GLN A 17 -5.221 4.549 -14.811 1.00 0.00 C ATOM 250 CD GLN A 17 -6.240 5.207 -13.904 1.00 0.00 C ATOM 251 OE1 GLN A 17 -5.891 6.004 -13.033 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.509 4.873 -14.105 1.00 0.00 N ATOM 0 H GLN A 17 -4.868 2.060 -12.494 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.291 2.180 -15.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.245 4.041 -12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.150 4.423 -14.291 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.819 5.294 -15.498 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.717 3.791 -15.418 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.751 4.208 -14.839 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.242 5.282 -13.525 1.00 0.00 H new ATOM 261 N ASN A 18 -2.088 0.937 -13.722 1.00 0.00 N ATOM 262 CA ASN A 18 -0.699 0.513 -13.641 1.00 0.00 C ATOM 263 C ASN A 18 -0.585 -1.007 -13.567 1.00 0.00 C ATOM 264 O ASN A 18 -1.489 -1.685 -13.079 1.00 0.00 O ATOM 265 CB ASN A 18 -0.041 1.156 -12.421 1.00 0.00 C ATOM 266 CG ASN A 18 -0.235 2.659 -12.389 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.633 3.418 -12.820 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.379 3.098 -11.876 1.00 0.00 N ATOM 0 H ASN A 18 -2.751 0.303 -13.276 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.185 0.837 -14.546 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.457 0.719 -11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.025 0.929 -12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.565 4.100 -11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.071 2.433 -11.530 1.00 0.00 H new ATOM 275 N GLU A 19 0.535 -1.535 -14.052 1.00 0.00 N ATOM 276 CA GLU A 19 0.772 -2.974 -14.037 1.00 0.00 C ATOM 277 C GLU A 19 0.981 -3.471 -12.619 1.00 0.00 C ATOM 278 O GLU A 19 0.410 -4.485 -12.228 1.00 0.00 O ATOM 279 CB GLU A 19 1.982 -3.327 -14.904 1.00 0.00 C ATOM 280 CG GLU A 19 1.833 -4.644 -15.648 1.00 0.00 C ATOM 281 CD GLU A 19 3.003 -4.926 -16.571 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.148 -4.989 -16.076 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.774 -5.084 -17.789 1.00 0.00 O ATOM 0 H GLU A 19 1.293 -0.987 -14.460 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.109 -3.467 -14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.147 -2.528 -15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.870 -3.374 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.739 -5.456 -14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.911 -4.626 -16.230 1.00 0.00 H new ATOM 290 N LEU A 20 1.790 -2.759 -11.841 1.00 0.00 N ATOM 291 CA LEU A 20 2.035 -3.158 -10.471 1.00 0.00 C ATOM 292 C LEU A 20 1.779 -1.989 -9.541 1.00 0.00 C ATOM 293 O LEU A 20 2.285 -0.889 -9.762 1.00 0.00 O ATOM 294 CB LEU A 20 3.476 -3.637 -10.328 1.00 0.00 C ATOM 295 CG LEU A 20 3.752 -4.737 -9.291 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.479 -5.401 -8.784 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.683 -5.786 -9.880 1.00 0.00 C ATOM 0 H LEU A 20 2.279 -1.914 -12.136 1.00 0.00 H new ATOM 0 HA LEU A 20 1.361 -3.972 -10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.810 -3.999 -11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.095 -2.775 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 20 4.226 -4.256 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.735 -6.169 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.841 -4.653 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.949 -5.857 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.873 -6.562 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.219 -6.231 -10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.625 -5.318 -10.165 1.00 0.00 H new ATOM 309 N VAL A 21 0.992 -2.221 -8.501 1.00 0.00 N ATOM 310 CA VAL A 21 0.689 -1.157 -7.557 1.00 0.00 C ATOM 311 C VAL A 21 0.741 -1.635 -6.126 1.00 0.00 C ATOM 312 O VAL A 21 0.055 -2.583 -5.752 1.00 0.00 O ATOM 313 CB VAL A 21 -0.689 -0.497 -7.831 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.746 0.886 -7.202 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.952 -0.413 -9.326 1.00 0.00 C ATOM 0 H VAL A 21 0.558 -3.120 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 21 1.466 -0.407 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.465 -1.116 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.718 1.337 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.600 0.802 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.039 1.512 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.922 0.052 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.173 0.185 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.949 -1.416 -9.753 1.00 0.00 H new ATOM 325 N ILE A 22 1.524 -0.946 -5.310 1.00 0.00 N ATOM 326 CA ILE A 22 1.603 -1.300 -3.902 1.00 0.00 C ATOM 327 C ILE A 22 0.969 -0.191 -3.091 1.00 0.00 C ATOM 328 O ILE A 22 1.323 0.980 -3.216 1.00 0.00 O ATOM 329 CB ILE A 22 3.055 -1.550 -3.432 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.132 -1.627 -1.903 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.994 -0.477 -3.961 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.856 -2.854 -1.394 1.00 0.00 C ATOM 0 H ILE A 22 2.103 -0.154 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 22 1.067 -2.238 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 22 3.374 -2.510 -3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.636 -0.736 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.121 -1.617 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.008 -0.678 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.975 -0.482 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.673 0.499 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.872 -2.841 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.340 -3.750 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.879 -2.856 -1.771 1.00 0.00 H new ATOM 344 N VAL A 23 0.003 -0.579 -2.280 1.00 0.00 N ATOM 345 CA VAL A 23 -0.727 0.364 -1.459 1.00 0.00 C ATOM 346 C VAL A 23 -0.828 -0.143 -0.042 1.00 0.00 C ATOM 347 O VAL A 23 -1.100 -1.321 0.192 1.00 0.00 O ATOM 348 CB VAL A 23 -2.143 0.613 -2.016 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.898 -0.697 -2.159 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.912 1.585 -1.131 1.00 0.00 C ATOM 0 H VAL A 23 -0.295 -1.549 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.178 1.306 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.045 1.062 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.895 -0.501 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.360 -1.354 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.981 -1.177 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.908 1.744 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.999 1.172 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.381 2.536 -1.088 1.00 0.00 H new ATOM 360 N ASP A 24 -0.610 0.747 0.900 1.00 0.00 N ATOM 361 CA ASP A 24 -0.680 0.379 2.292 1.00 0.00 C ATOM 362 C ASP A 24 -1.981 0.830 2.912 1.00 0.00 C ATOM 363 O ASP A 24 -2.181 2.017 3.161 1.00 0.00 O ATOM 364 CB ASP A 24 0.474 0.993 3.077 1.00 0.00 C ATOM 365 CG ASP A 24 0.515 2.497 2.947 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.142 3.003 1.872 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.924 3.167 3.919 1.00 0.00 O ATOM 0 H ASP A 24 -0.384 1.726 0.727 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.616 -0.708 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.380 0.723 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.416 0.573 2.723 1.00 0.00 H new ATOM 372 N PHE A 25 -2.834 -0.125 3.227 1.00 0.00 N ATOM 373 CA PHE A 25 -4.068 0.195 3.899 1.00 0.00 C ATOM 374 C PHE A 25 -3.672 0.273 5.356 1.00 0.00 C ATOM 375 O PHE A 25 -3.200 -0.707 5.932 1.00 0.00 O ATOM 376 CB PHE A 25 -5.113 -0.891 3.624 1.00 0.00 C ATOM 377 CG PHE A 25 -5.269 -1.180 2.151 1.00 0.00 C ATOM 378 CD1 PHE A 25 -6.137 -0.430 1.374 1.00 0.00 C ATOM 379 CD2 PHE A 25 -4.532 -2.185 1.539 1.00 0.00 C ATOM 380 CE1 PHE A 25 -6.272 -0.676 0.019 1.00 0.00 C ATOM 381 CE2 PHE A 25 -4.658 -2.434 0.180 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.531 -1.679 -0.584 1.00 0.00 C ATOM 0 H PHE A 25 -2.694 -1.116 3.029 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.529 1.124 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.827 -1.806 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.074 -0.579 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.716 0.358 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.851 -2.781 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.957 -0.084 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.075 -3.217 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.634 -1.870 -1.642 1.00 0.00 H new ATOM 392 N PHE A 26 -3.737 1.478 5.907 1.00 0.00 N ATOM 393 CA PHE A 26 -3.248 1.713 7.250 1.00 0.00 C ATOM 394 C PHE A 26 -4.297 2.620 8.084 1.00 0.00 C ATOM 395 O PHE A 26 -5.310 2.983 7.484 1.00 0.00 O ATOM 396 CB PHE A 26 -1.905 2.452 7.182 1.00 0.00 C ATOM 397 CG PHE A 26 -2.073 3.889 6.748 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.501 4.191 5.460 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.848 4.932 7.634 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.694 5.502 5.061 1.00 0.00 C ATOM 401 CE2 PHE A 26 -2.044 6.246 7.244 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.465 6.533 5.957 1.00 0.00 C ATOM 0 H PHE A 26 -4.122 2.301 5.444 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.127 0.751 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.425 2.422 8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.243 1.938 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.686 3.390 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.516 4.717 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.022 5.720 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.868 7.048 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.615 7.558 5.652 1.00 0.00 H new ATOM 412 N ALA A 27 -4.106 3.062 9.429 1.00 0.00 N ATOM 413 CA ALA A 27 -5.088 3.913 10.082 1.00 0.00 C ATOM 414 C ALA A 27 -4.320 4.921 10.997 1.00 0.00 C ATOM 415 O ALA A 27 -3.259 4.611 11.535 1.00 0.00 O ATOM 416 CB ALA A 27 -6.157 3.025 10.806 1.00 0.00 C ATOM 0 H ALA A 27 -3.299 2.822 10.004 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.661 4.512 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.891 3.665 11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.658 2.390 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.666 2.401 11.553 1.00 0.00 H new ATOM 422 N GLU A 28 -4.832 6.146 11.044 1.00 0.00 N ATOM 423 CA GLU A 28 -4.236 7.356 11.762 1.00 0.00 C ATOM 424 C GLU A 28 -3.821 7.331 13.375 1.00 0.00 C ATOM 425 O GLU A 28 -3.401 8.403 13.812 1.00 0.00 O ATOM 426 CB GLU A 28 -5.359 8.405 11.757 1.00 0.00 C ATOM 427 CG GLU A 28 -6.353 8.275 10.618 1.00 0.00 C ATOM 428 CD GLU A 28 -7.178 9.532 10.415 1.00 0.00 C ATOM 429 OE1 GLU A 28 -8.188 9.701 11.129 1.00 0.00 O ATOM 430 OE2 GLU A 28 -6.813 10.347 9.541 1.00 0.00 O ATOM 0 H GLU A 28 -5.709 6.373 10.576 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.295 7.490 11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.900 8.340 12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.909 9.397 11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.817 8.045 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.020 7.436 10.817 1.00 0.00 H new ATOM 437 N TRP A 29 -4.001 6.266 14.330 1.00 0.00 N ATOM 438 CA TRP A 29 -3.718 6.448 15.820 1.00 0.00 C ATOM 439 C TRP A 29 -2.523 5.468 16.236 1.00 0.00 C ATOM 440 O TRP A 29 -2.325 5.308 17.441 1.00 0.00 O ATOM 441 CB TRP A 29 -5.194 6.163 16.515 1.00 0.00 C ATOM 442 CG TRP A 29 -6.208 5.084 15.878 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.459 5.178 15.058 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.118 3.668 16.163 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.883 3.904 14.747 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.111 2.986 15.403 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.240 2.896 16.944 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.228 1.597 15.407 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.379 1.520 16.952 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.354 0.884 16.177 1.00 0.00 C ATOM 0 H TRP A 29 -4.325 5.332 14.079 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.361 7.427 16.140 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.010 5.861 17.546 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.721 7.116 16.551 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.948 6.094 14.760 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.657 3.680 14.121 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.467 3.371 17.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.986 1.100 14.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.722 0.925 17.569 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.417 -0.194 16.188 1.00 0.00 H new ATOM 461 N CYS A 30 -1.719 4.736 15.290 1.00 0.00 N ATOM 462 CA CYS A 30 -0.693 3.822 15.768 1.00 0.00 C ATOM 463 C CYS A 30 0.711 4.340 15.467 1.00 0.00 C ATOM 464 O CYS A 30 0.927 5.037 14.474 1.00 0.00 O ATOM 465 CB CYS A 30 -0.892 2.452 15.086 1.00 0.00 C ATOM 466 SG CYS A 30 -1.916 2.505 13.564 1.00 0.00 S ATOM 0 H CYS A 30 -1.806 4.802 14.276 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.789 3.733 16.850 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.085 2.038 14.838 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.356 1.769 15.798 1.00 0.00 H new ATOM 471 N GLY A 31 1.665 3.973 16.323 1.00 0.00 N ATOM 472 CA GLY A 31 3.045 4.380 16.124 1.00 0.00 C ATOM 473 C GLY A 31 3.679 3.729 14.901 1.00 0.00 C ATOM 474 O GLY A 31 4.282 4.419 14.078 1.00 0.00 O ATOM 0 H GLY A 31 1.504 3.400 17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.088 5.464 16.017 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.627 4.124 17.010 1.00 0.00 H new ATOM 478 N PRO A 32 3.547 2.393 14.743 1.00 0.00 N ATOM 479 CA PRO A 32 4.109 1.659 13.593 1.00 0.00 C ATOM 480 C PRO A 32 3.544 2.139 12.273 1.00 0.00 C ATOM 481 O PRO A 32 4.273 2.295 11.294 1.00 0.00 O ATOM 482 CB PRO A 32 3.665 0.216 13.830 1.00 0.00 C ATOM 483 CG PRO A 32 2.498 0.340 14.751 1.00 0.00 C ATOM 484 CD PRO A 32 2.836 1.483 15.655 1.00 0.00 C ATOM 0 HA PRO A 32 5.189 1.793 13.528 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.386 -0.273 12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.463 -0.378 14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.578 0.533 14.199 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.343 -0.578 15.317 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.945 1.945 16.080 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.462 1.171 16.491 1.00 0.00 H new ATOM 492 N CYS A 33 2.235 2.358 12.245 1.00 0.00 N ATOM 493 CA CYS A 33 1.581 2.800 11.028 1.00 0.00 C ATOM 494 C CYS A 33 2.327 3.990 10.417 1.00 0.00 C ATOM 495 O CYS A 33 2.733 3.941 9.258 1.00 0.00 O ATOM 496 CB CYS A 33 0.120 3.122 11.346 1.00 0.00 C ATOM 497 SG CYS A 33 -0.754 1.705 12.103 1.00 0.00 S ATOM 0 H CYS A 33 1.614 2.237 13.045 1.00 0.00 H new ATOM 0 HA CYS A 33 1.601 2.010 10.278 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.077 3.976 12.022 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.393 3.415 10.430 1.00 0.00 H new ATOM 502 N LYS A 34 2.556 5.031 11.206 1.00 0.00 N ATOM 503 CA LYS A 34 3.325 6.188 10.731 1.00 0.00 C ATOM 504 C LYS A 34 4.798 5.812 10.529 1.00 0.00 C ATOM 505 O LYS A 34 5.476 6.326 9.641 1.00 0.00 O ATOM 506 CB LYS A 34 3.224 7.385 11.693 1.00 0.00 C ATOM 507 CG LYS A 34 2.215 7.220 12.820 1.00 0.00 C ATOM 508 CD LYS A 34 2.106 8.486 13.656 1.00 0.00 C ATOM 509 CE LYS A 34 0.657 8.862 13.918 1.00 0.00 C ATOM 510 NZ LYS A 34 0.505 9.642 15.178 1.00 0.00 N ATOM 0 H LYS A 34 2.227 5.105 12.169 1.00 0.00 H new ATOM 0 HA LYS A 34 2.891 6.486 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.207 7.566 12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.962 8.273 11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.239 6.972 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.511 6.386 13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.622 8.341 14.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.608 9.306 13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.277 9.447 13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.052 7.957 13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.498 9.879 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.844 9.074 15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.062 10.518 15.113 1.00 0.00 H new ATOM 524 N ARG A 35 5.276 4.937 11.411 1.00 0.00 N ATOM 525 CA ARG A 35 6.670 4.480 11.433 1.00 0.00 C ATOM 526 C ARG A 35 7.075 3.690 10.194 1.00 0.00 C ATOM 527 O ARG A 35 8.258 3.632 9.856 1.00 0.00 O ATOM 528 CB ARG A 35 6.918 3.630 12.679 1.00 0.00 C ATOM 529 CG ARG A 35 8.389 3.483 13.034 1.00 0.00 C ATOM 530 CD ARG A 35 8.996 4.807 13.471 1.00 0.00 C ATOM 531 NE ARG A 35 10.335 5.002 12.922 1.00 0.00 N ATOM 532 CZ ARG A 35 11.431 4.435 13.422 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.352 3.640 14.482 1.00 0.00 N ATOM 534 NH2 ARG A 35 12.611 4.663 12.860 1.00 0.00 N ATOM 0 H ARG A 35 4.701 4.518 12.142 1.00 0.00 H new ATOM 0 HA ARG A 35 7.286 5.379 11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.392 4.076 13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.490 2.640 12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.499 2.750 13.834 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.935 3.099 12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.350 5.625 13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.041 4.843 14.559 1.00 0.00 H new ATOM 0 HE ARG A 35 10.437 5.608 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.448 3.460 14.918 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.196 3.209 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.678 5.273 12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.451 4.229 13.243 1.00 0.00 H new ATOM 548 N ILE A 36 6.118 3.056 9.538 1.00 0.00 N ATOM 549 CA ILE A 36 6.421 2.255 8.367 1.00 0.00 C ATOM 550 C ILE A 36 6.519 3.123 7.112 1.00 0.00 C ATOM 551 O ILE A 36 7.043 2.684 6.090 1.00 0.00 O ATOM 552 CB ILE A 36 5.369 1.140 8.157 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.858 0.106 7.136 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.037 1.718 7.710 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.271 -0.373 7.365 1.00 0.00 C ATOM 0 H ILE A 36 5.131 3.080 9.795 1.00 0.00 H new ATOM 0 HA ILE A 36 7.389 1.786 8.542 1.00 0.00 H new ATOM 0 HB ILE A 36 5.227 0.643 9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.188 -0.753 7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.791 0.538 6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.318 0.910 7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.666 2.407 8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.170 2.252 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.537 -1.102 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.955 0.474 7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.343 -0.838 8.348 1.00 0.00 H new ATOM 567 N ALA A 37 6.018 4.358 7.198 1.00 0.00 N ATOM 568 CA ALA A 37 6.054 5.285 6.067 1.00 0.00 C ATOM 569 C ALA A 37 7.489 5.665 5.682 1.00 0.00 C ATOM 570 O ALA A 37 7.852 5.624 4.506 1.00 0.00 O ATOM 571 CB ALA A 37 5.249 6.535 6.391 1.00 0.00 C ATOM 0 H ALA A 37 5.583 4.738 8.039 1.00 0.00 H new ATOM 0 HA ALA A 37 5.609 4.778 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.282 7.219 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.214 6.259 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.673 7.024 7.268 1.00 0.00 H new ATOM 577 N PRO A 38 8.323 6.057 6.666 1.00 0.00 N ATOM 578 CA PRO A 38 9.714 6.461 6.417 1.00 0.00 C ATOM 579 C PRO A 38 10.489 5.428 5.606 1.00 0.00 C ATOM 580 O PRO A 38 11.205 5.781 4.670 1.00 0.00 O ATOM 581 CB PRO A 38 10.304 6.582 7.822 1.00 0.00 C ATOM 582 CG PRO A 38 9.139 6.884 8.697 1.00 0.00 C ATOM 583 CD PRO A 38 7.966 6.164 8.090 1.00 0.00 C ATOM 0 HA PRO A 38 9.769 7.379 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.798 5.659 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.051 7.374 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.319 6.545 9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.955 7.957 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.821 5.183 8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.039 6.720 8.230 1.00 0.00 H new ATOM 591 N PHE A 39 10.329 4.151 5.944 1.00 0.00 N ATOM 592 CA PHE A 39 11.009 3.095 5.203 1.00 0.00 C ATOM 593 C PHE A 39 10.323 2.910 3.867 1.00 0.00 C ATOM 594 O PHE A 39 10.961 2.650 2.846 1.00 0.00 O ATOM 595 CB PHE A 39 11.003 1.780 5.969 1.00 0.00 C ATOM 596 CG PHE A 39 11.698 0.679 5.221 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.081 0.636 5.154 1.00 0.00 C ATOM 598 CD2 PHE A 39 10.968 -0.298 4.564 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.723 -0.364 4.448 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.604 -1.294 3.854 1.00 0.00 C ATOM 601 CZ PHE A 39 12.981 -1.329 3.796 1.00 0.00 C ATOM 0 H PHE A 39 9.744 3.827 6.714 1.00 0.00 H new ATOM 0 HA PHE A 39 12.048 3.390 5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.489 1.923 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.973 1.485 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.664 1.392 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.889 -0.279 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.802 -0.391 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.023 -2.047 3.343 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.479 -2.110 3.241 1.00 0.00 H new ATOM 611 N TYR A 40 9.012 3.077 3.890 1.00 0.00 N ATOM 612 CA TYR A 40 8.201 2.966 2.693 1.00 0.00 C ATOM 613 C TYR A 40 8.654 4.015 1.687 1.00 0.00 C ATOM 614 O TYR A 40 8.650 3.783 0.478 1.00 0.00 O ATOM 615 CB TYR A 40 6.728 3.185 3.053 1.00 0.00 C ATOM 616 CG TYR A 40 5.739 2.296 2.324 1.00 0.00 C ATOM 617 CD1 TYR A 40 6.144 1.159 1.629 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.382 2.594 2.352 1.00 0.00 C ATOM 619 CE1 TYR A 40 5.225 0.354 0.984 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.461 1.789 1.713 1.00 0.00 C ATOM 621 CZ TYR A 40 3.886 0.673 1.030 1.00 0.00 C ATOM 622 OH TYR A 40 2.967 -0.130 0.396 1.00 0.00 O ATOM 0 H TYR A 40 8.483 3.292 4.735 1.00 0.00 H new ATOM 0 HA TYR A 40 8.315 1.974 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.607 3.030 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.473 4.225 2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.193 0.903 1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.042 3.471 2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.555 -0.522 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.410 2.034 1.749 1.00 0.00 H new ATOM 0 HH TYR A 40 3.105 -1.062 0.666 1.00 0.00 H new ATOM 632 N GLU A 41 9.057 5.172 2.208 1.00 0.00 N ATOM 633 CA GLU A 41 9.531 6.267 1.372 1.00 0.00 C ATOM 634 C GLU A 41 10.829 5.874 0.663 1.00 0.00 C ATOM 635 O GLU A 41 11.020 6.177 -0.513 1.00 0.00 O ATOM 636 CB GLU A 41 9.725 7.530 2.226 1.00 0.00 C ATOM 637 CG GLU A 41 11.011 8.293 1.943 1.00 0.00 C ATOM 638 CD GLU A 41 10.980 9.710 2.483 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.413 10.591 1.804 1.00 0.00 O ATOM 640 OE2 GLU A 41 11.523 9.938 3.585 1.00 0.00 O ATOM 0 H GLU A 41 9.064 5.373 3.208 1.00 0.00 H new ATOM 0 HA GLU A 41 8.785 6.481 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.879 8.197 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.710 7.247 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.851 7.758 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.183 8.322 0.867 1.00 0.00 H new ATOM 647 N GLU A 42 11.713 5.188 1.383 1.00 0.00 N ATOM 648 CA GLU A 42 12.980 4.746 0.809 1.00 0.00 C ATOM 649 C GLU A 42 12.717 3.746 -0.315 1.00 0.00 C ATOM 650 O GLU A 42 13.318 3.813 -1.387 1.00 0.00 O ATOM 651 CB GLU A 42 13.859 4.106 1.886 1.00 0.00 C ATOM 652 CG GLU A 42 14.304 5.078 2.966 1.00 0.00 C ATOM 653 CD GLU A 42 15.734 4.841 3.411 1.00 0.00 C ATOM 654 OE1 GLU A 42 16.002 3.779 4.010 1.00 0.00 O ATOM 655 OE2 GLU A 42 16.587 5.718 3.159 1.00 0.00 O ATOM 0 H GLU A 42 11.576 4.927 2.360 1.00 0.00 H new ATOM 0 HA GLU A 42 13.504 5.612 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.311 3.286 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.741 3.673 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.208 6.098 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.640 4.989 3.826 1.00 0.00 H new ATOM 662 N CYS A 43 11.794 2.831 -0.046 1.00 0.00 N ATOM 663 CA CYS A 43 11.388 1.801 -0.987 1.00 0.00 C ATOM 664 C CYS A 43 10.782 2.423 -2.249 1.00 0.00 C ATOM 665 O CYS A 43 10.972 1.924 -3.353 1.00 0.00 O ATOM 666 CB CYS A 43 10.389 0.891 -0.256 1.00 0.00 C ATOM 667 SG CYS A 43 11.100 0.042 1.168 1.00 0.00 S ATOM 0 H CYS A 43 11.301 2.785 0.846 1.00 0.00 H new ATOM 0 HA CYS A 43 12.245 1.217 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.539 1.489 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.005 0.150 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 43 11.075 0.831 2.201 1.00 0.00 H new ATOM 673 N SER A 44 10.072 3.526 -2.082 1.00 0.00 N ATOM 674 CA SER A 44 9.450 4.215 -3.211 1.00 0.00 C ATOM 675 C SER A 44 10.485 4.864 -4.143 1.00 0.00 C ATOM 676 O SER A 44 10.190 5.141 -5.305 1.00 0.00 O ATOM 677 CB SER A 44 8.485 5.281 -2.691 1.00 0.00 C ATOM 678 OG SER A 44 9.191 6.387 -2.155 1.00 0.00 O ATOM 0 H SER A 44 9.909 3.967 -1.177 1.00 0.00 H new ATOM 0 HA SER A 44 8.911 3.468 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.837 5.616 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.840 4.850 -1.925 1.00 0.00 H new ATOM 0 HG SER A 44 9.986 6.068 -1.679 1.00 0.00 H new ATOM 684 N LYS A 45 11.679 5.137 -3.620 1.00 0.00 N ATOM 685 CA LYS A 45 12.735 5.791 -4.391 1.00 0.00 C ATOM 686 C LYS A 45 13.475 4.842 -5.348 1.00 0.00 C ATOM 687 O LYS A 45 13.807 5.225 -6.470 1.00 0.00 O ATOM 688 CB LYS A 45 13.728 6.427 -3.422 1.00 0.00 C ATOM 689 CG LYS A 45 13.680 7.943 -3.412 1.00 0.00 C ATOM 690 CD LYS A 45 15.054 8.543 -3.161 1.00 0.00 C ATOM 691 CE LYS A 45 15.327 8.701 -1.675 1.00 0.00 C ATOM 692 NZ LYS A 45 14.912 10.039 -1.172 1.00 0.00 N ATOM 0 H LYS A 45 11.940 4.914 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 45 12.259 6.544 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.528 6.059 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.736 6.105 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.294 8.302 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.988 8.281 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.818 7.906 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.123 9.514 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.795 7.925 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.390 8.555 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.115 10.106 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.438 10.779 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.892 10.168 -1.330 1.00 0.00 H new ATOM 706 N THR A 46 13.744 3.618 -4.903 1.00 0.00 N ATOM 707 CA THR A 46 14.456 2.634 -5.716 1.00 0.00 C ATOM 708 C THR A 46 13.471 1.789 -6.516 1.00 0.00 C ATOM 709 O THR A 46 13.765 1.312 -7.612 1.00 0.00 O ATOM 710 CB THR A 46 15.313 1.718 -4.807 1.00 0.00 C ATOM 711 OG1 THR A 46 16.629 2.266 -4.664 1.00 0.00 O ATOM 712 CG2 THR A 46 15.412 0.299 -5.354 1.00 0.00 C ATOM 0 H THR A 46 13.478 3.281 -3.978 1.00 0.00 H new ATOM 0 HA THR A 46 15.107 3.164 -6.410 1.00 0.00 H new ATOM 0 HB THR A 46 14.819 1.669 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.165 1.683 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.022 -0.307 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.414 -0.133 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.871 0.321 -6.342 1.00 0.00 H new ATOM 720 N TYR A 47 12.310 1.609 -5.923 1.00 0.00 N ATOM 721 CA TYR A 47 11.227 0.825 -6.486 1.00 0.00 C ATOM 722 C TYR A 47 10.314 1.660 -7.387 1.00 0.00 C ATOM 723 O TYR A 47 9.163 1.289 -7.618 1.00 0.00 O ATOM 724 CB TYR A 47 10.419 0.148 -5.387 1.00 0.00 C ATOM 725 CG TYR A 47 11.274 -0.595 -4.389 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.387 -1.320 -4.784 1.00 0.00 C ATOM 727 CD2 TYR A 47 10.971 -0.545 -3.048 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.175 -1.973 -3.860 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.749 -1.195 -2.109 1.00 0.00 C ATOM 730 CZ TYR A 47 12.852 -1.908 -2.521 1.00 0.00 C ATOM 731 OH TYR A 47 13.633 -2.557 -1.594 1.00 0.00 O ATOM 0 H TYR A 47 12.086 2.013 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 47 11.683 0.057 -7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.831 0.901 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.714 -0.548 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.641 -1.374 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.106 0.014 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.040 -2.532 -4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.494 -1.144 -1.061 1.00 0.00 H new ATOM 0 HH TYR A 47 13.602 -2.072 -0.743 1.00 0.00 H new ATOM 741 N THR A 48 10.784 2.832 -7.806 1.00 0.00 N ATOM 742 CA THR A 48 9.963 3.770 -8.576 1.00 0.00 C ATOM 743 C THR A 48 9.330 3.166 -9.838 1.00 0.00 C ATOM 744 O THR A 48 8.591 3.857 -10.541 1.00 0.00 O ATOM 745 CB THR A 48 10.793 4.996 -8.998 1.00 0.00 C ATOM 746 OG1 THR A 48 11.906 4.582 -9.800 1.00 0.00 O ATOM 747 CG2 THR A 48 11.295 5.754 -7.779 1.00 0.00 C ATOM 0 H THR A 48 11.733 3.158 -7.625 1.00 0.00 H new ATOM 0 HA THR A 48 9.152 4.050 -7.903 1.00 0.00 H new ATOM 0 HB THR A 48 10.152 5.658 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.428 5.368 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.879 6.616 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.446 6.092 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.921 5.097 -7.175 1.00 0.00 H new ATOM 755 N LYS A 49 9.534 1.875 -10.089 1.00 0.00 N ATOM 756 CA LYS A 49 8.876 1.226 -11.226 1.00 0.00 C ATOM 757 C LYS A 49 7.465 0.810 -10.784 1.00 0.00 C ATOM 758 O LYS A 49 6.522 0.793 -11.575 1.00 0.00 O ATOM 759 CB LYS A 49 9.653 0.004 -11.752 1.00 0.00 C ATOM 760 CG LYS A 49 10.966 -0.301 -11.040 1.00 0.00 C ATOM 761 CD LYS A 49 10.759 -1.266 -9.882 1.00 0.00 C ATOM 762 CE LYS A 49 10.326 -2.637 -10.380 1.00 0.00 C ATOM 763 NZ LYS A 49 8.844 -2.796 -10.364 1.00 0.00 N ATOM 0 H LYS A 49 10.136 1.266 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 49 8.836 1.936 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.009 -0.872 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.862 0.158 -12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.675 -0.728 -11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.404 0.626 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.684 -1.358 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.005 -0.868 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.696 -2.787 -11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.780 -3.408 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.601 -3.754 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.427 -2.096 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.469 -2.649 -11.323 1.00 0.00 H new ATOM 777 N MET A 50 7.348 0.524 -9.485 1.00 0.00 N ATOM 778 CA MET A 50 6.088 0.152 -8.834 1.00 0.00 C ATOM 779 C MET A 50 5.456 1.421 -8.278 1.00 0.00 C ATOM 780 O MET A 50 6.166 2.316 -7.820 1.00 0.00 O ATOM 781 CB MET A 50 6.401 -0.828 -7.695 1.00 0.00 C ATOM 782 CG MET A 50 5.246 -1.688 -7.230 1.00 0.00 C ATOM 783 SD MET A 50 5.801 -3.304 -6.667 1.00 0.00 S ATOM 784 CE MET A 50 6.593 -3.891 -8.161 1.00 0.00 C ATOM 0 H MET A 50 8.141 0.545 -8.844 1.00 0.00 H new ATOM 0 HA MET A 50 5.402 -0.323 -9.536 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.211 -1.483 -8.017 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.772 -0.259 -6.843 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.719 -1.182 -6.421 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.534 -1.812 -8.046 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.505 -4.976 -8.217 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.110 -3.442 -9.029 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.647 -3.613 -8.147 1.00 0.00 H new ATOM 794 N VAL A 51 4.138 1.517 -8.325 1.00 0.00 N ATOM 795 CA VAL A 51 3.469 2.718 -7.820 1.00 0.00 C ATOM 796 C VAL A 51 3.034 2.544 -6.378 1.00 0.00 C ATOM 797 O VAL A 51 2.332 1.594 -6.031 1.00 0.00 O ATOM 798 CB VAL A 51 2.245 3.153 -8.658 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.548 4.433 -9.409 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.804 2.067 -9.618 1.00 0.00 C ATOM 0 H VAL A 51 3.516 0.799 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 51 4.219 3.506 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 51 1.421 3.333 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.677 4.726 -9.994 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.791 5.223 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.395 4.272 -10.076 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.941 2.413 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.620 1.832 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.533 1.173 -9.056 1.00 0.00 H new ATOM 810 N PHE A 52 3.472 3.473 -5.541 1.00 0.00 N ATOM 811 CA PHE A 52 3.150 3.437 -4.123 1.00 0.00 C ATOM 812 C PHE A 52 2.093 4.474 -3.741 1.00 0.00 C ATOM 813 O PHE A 52 2.265 5.670 -3.976 1.00 0.00 O ATOM 814 CB PHE A 52 4.404 3.694 -3.285 1.00 0.00 C ATOM 815 CG PHE A 52 5.452 2.623 -3.379 1.00 0.00 C ATOM 816 CD1 PHE A 52 6.061 2.354 -4.586 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.843 1.907 -2.259 1.00 0.00 C ATOM 818 CE1 PHE A 52 7.045 1.386 -4.687 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.831 0.940 -2.348 1.00 0.00 C ATOM 820 CZ PHE A 52 7.434 0.678 -3.566 1.00 0.00 C ATOM 0 H PHE A 52 4.053 4.263 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 52 2.751 2.443 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.844 4.642 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.110 3.805 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.766 2.907 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.373 2.105 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.508 1.184 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.131 0.391 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.204 -0.076 -3.640 1.00 0.00 H new ATOM 830 N ILE A 53 1.019 4.005 -3.114 1.00 0.00 N ATOM 831 CA ILE A 53 -0.059 4.887 -2.647 1.00 0.00 C ATOM 832 C ILE A 53 -0.486 4.499 -1.225 1.00 0.00 C ATOM 833 O ILE A 53 -0.160 3.414 -0.744 1.00 0.00 O ATOM 834 CB ILE A 53 -1.289 4.856 -3.581 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.900 3.458 -3.640 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.906 5.329 -4.974 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.413 3.460 -3.608 1.00 0.00 C ATOM 0 H ILE A 53 0.866 3.016 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 53 0.337 5.902 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.040 5.533 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.564 2.961 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.527 2.871 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.783 5.302 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.526 6.349 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.134 4.676 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.779 2.434 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.757 3.928 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.794 4.019 -4.462 1.00 0.00 H new ATOM 849 N LYS A 54 -1.215 5.392 -0.563 1.00 0.00 N ATOM 850 CA LYS A 54 -1.696 5.162 0.803 1.00 0.00 C ATOM 851 C LYS A 54 -3.198 5.390 0.860 1.00 0.00 C ATOM 852 O LYS A 54 -3.699 6.402 0.370 1.00 0.00 O ATOM 853 CB LYS A 54 -1.011 6.124 1.802 1.00 0.00 C ATOM 854 CG LYS A 54 0.294 5.626 2.420 1.00 0.00 C ATOM 855 CD LYS A 54 1.208 6.786 2.780 1.00 0.00 C ATOM 856 CE LYS A 54 0.811 7.419 4.104 1.00 0.00 C ATOM 857 NZ LYS A 54 1.641 8.615 4.420 1.00 0.00 N ATOM 0 H LYS A 54 -1.490 6.293 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.456 4.135 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.812 7.066 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.713 6.340 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.076 5.040 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.802 4.963 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.238 6.434 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.172 7.537 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.240 7.706 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.914 6.684 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.338 9.017 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.641 8.337 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.523 9.327 3.671 1.00 0.00 H new ATOM 871 N VAL A 55 -3.912 4.453 1.463 1.00 0.00 N ATOM 872 CA VAL A 55 -5.354 4.573 1.581 1.00 0.00 C ATOM 873 C VAL A 55 -5.819 4.139 2.966 1.00 0.00 C ATOM 874 O VAL A 55 -5.651 2.987 3.365 1.00 0.00 O ATOM 875 CB VAL A 55 -6.066 3.760 0.466 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.431 3.237 0.903 1.00 0.00 C ATOM 877 CG2 VAL A 55 -6.203 4.600 -0.791 1.00 0.00 C ATOM 0 H VAL A 55 -3.519 3.607 1.875 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.624 5.621 1.452 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.443 2.891 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.884 2.676 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.311 2.585 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.074 4.076 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.704 4.018 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.790 5.492 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.214 4.894 -1.142 1.00 0.00 H new ATOM 887 N ASP A 56 -6.396 5.087 3.691 1.00 0.00 N ATOM 888 CA ASP A 56 -6.885 4.845 5.039 1.00 0.00 C ATOM 889 C ASP A 56 -8.257 4.174 5.010 1.00 0.00 C ATOM 890 O ASP A 56 -8.992 4.279 4.028 1.00 0.00 O ATOM 891 CB ASP A 56 -6.924 6.173 5.810 1.00 0.00 C ATOM 892 CG ASP A 56 -8.146 7.003 5.477 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.779 6.729 4.435 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.468 7.927 6.252 1.00 0.00 O ATOM 0 H ASP A 56 -6.538 6.042 3.362 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.207 4.162 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.909 5.968 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.026 6.747 5.583 1.00 0.00 H new ATOM 899 N VAL A 57 -8.581 3.469 6.086 1.00 0.00 N ATOM 900 CA VAL A 57 -9.849 2.759 6.188 1.00 0.00 C ATOM 901 C VAL A 57 -10.977 3.663 6.678 1.00 0.00 C ATOM 902 O VAL A 57 -12.153 3.386 6.441 1.00 0.00 O ATOM 903 CB VAL A 57 -9.735 1.551 7.144 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.585 0.646 6.733 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.561 2.012 8.586 1.00 0.00 C ATOM 0 H VAL A 57 -7.980 3.373 6.904 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.086 2.415 5.181 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.662 0.982 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.523 -0.198 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.755 0.279 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.651 1.208 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.483 1.143 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.654 2.611 8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.421 2.613 8.882 1.00 0.00 H new ATOM 915 N ASP A 58 -10.615 4.716 7.401 1.00 0.00 N ATOM 916 CA ASP A 58 -11.604 5.626 7.966 1.00 0.00 C ATOM 917 C ASP A 58 -12.244 6.534 6.919 1.00 0.00 C ATOM 918 O ASP A 58 -13.466 6.673 6.879 1.00 0.00 O ATOM 919 CB ASP A 58 -10.971 6.475 9.069 1.00 0.00 C ATOM 920 CG ASP A 58 -9.855 7.362 8.553 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.162 8.424 7.971 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.673 6.997 8.733 1.00 0.00 O ATOM 0 H ASP A 58 -9.647 4.960 7.609 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.398 5.006 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.739 7.095 9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.579 5.820 9.847 1.00 0.00 H new ATOM 927 N GLU A 59 -11.425 7.166 6.088 1.00 0.00 N ATOM 928 CA GLU A 59 -11.944 8.075 5.069 1.00 0.00 C ATOM 929 C GLU A 59 -12.643 7.319 3.944 1.00 0.00 C ATOM 930 O GLU A 59 -13.688 7.751 3.457 1.00 0.00 O ATOM 931 CB GLU A 59 -10.826 8.951 4.498 1.00 0.00 C ATOM 932 CG GLU A 59 -10.541 10.191 5.331 1.00 0.00 C ATOM 933 CD GLU A 59 -11.442 11.356 4.970 1.00 0.00 C ATOM 934 OE1 GLU A 59 -11.318 11.874 3.840 1.00 0.00 O ATOM 935 OE2 GLU A 59 -12.270 11.750 5.817 1.00 0.00 O ATOM 0 H GLU A 59 -10.410 7.069 6.097 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.680 8.716 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.915 8.358 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.095 9.256 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.668 9.952 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.500 10.485 5.194 1.00 0.00 H new ATOM 942 N VAL A 60 -12.067 6.197 3.525 1.00 0.00 N ATOM 943 CA VAL A 60 -12.653 5.408 2.451 1.00 0.00 C ATOM 944 C VAL A 60 -12.918 3.972 2.891 1.00 0.00 C ATOM 945 O VAL A 60 -12.178 3.054 2.538 1.00 0.00 O ATOM 946 CB VAL A 60 -11.748 5.400 1.206 1.00 0.00 C ATOM 947 CG1 VAL A 60 -11.972 6.655 0.376 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.285 5.271 1.605 1.00 0.00 C ATOM 0 H VAL A 60 -11.202 5.817 3.910 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.603 5.879 2.198 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.010 4.535 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.324 6.632 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.013 6.699 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.740 7.535 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.663 5.267 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.005 6.113 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.138 4.340 2.153 1.00 0.00 H new ATOM 958 N SER A 61 -13.989 3.788 3.657 1.00 0.00 N ATOM 959 CA SER A 61 -14.372 2.467 4.141 1.00 0.00 C ATOM 960 C SER A 61 -14.695 1.544 2.976 1.00 0.00 C ATOM 961 O SER A 61 -14.463 0.337 3.044 1.00 0.00 O ATOM 962 CB SER A 61 -15.575 2.575 5.080 1.00 0.00 C ATOM 963 OG SER A 61 -15.312 1.944 6.321 1.00 0.00 O ATOM 0 H SER A 61 -14.609 4.541 3.957 1.00 0.00 H new ATOM 0 HA SER A 61 -13.532 2.045 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.817 3.625 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.447 2.117 4.613 1.00 0.00 H new ATOM 0 HG SER A 61 -16.096 2.029 6.904 1.00 0.00 H new ATOM 969 N GLU A 62 -15.226 2.119 1.902 1.00 0.00 N ATOM 970 CA GLU A 62 -15.571 1.342 0.721 1.00 0.00 C ATOM 971 C GLU A 62 -14.350 0.585 0.214 1.00 0.00 C ATOM 972 O GLU A 62 -14.468 -0.523 -0.302 1.00 0.00 O ATOM 973 CB GLU A 62 -16.117 2.255 -0.378 1.00 0.00 C ATOM 974 CG GLU A 62 -17.628 2.419 -0.337 1.00 0.00 C ATOM 975 CD GLU A 62 -18.234 2.583 -1.717 1.00 0.00 C ATOM 976 OE1 GLU A 62 -18.337 1.572 -2.444 1.00 0.00 O ATOM 977 OE2 GLU A 62 -18.606 3.721 -2.071 1.00 0.00 O ATOM 0 H GLU A 62 -15.426 3.116 1.827 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.344 0.623 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.651 3.236 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.830 1.853 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.071 1.550 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.879 3.288 0.272 1.00 0.00 H new ATOM 984 N VAL A 63 -13.175 1.186 0.387 1.00 0.00 N ATOM 985 CA VAL A 63 -11.928 0.563 -0.037 1.00 0.00 C ATOM 986 C VAL A 63 -11.694 -0.719 0.746 1.00 0.00 C ATOM 987 O VAL A 63 -11.287 -1.739 0.190 1.00 0.00 O ATOM 988 CB VAL A 63 -10.723 1.506 0.165 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.425 0.817 -0.229 1.00 0.00 C ATOM 990 CG2 VAL A 63 -10.914 2.797 -0.620 1.00 0.00 C ATOM 0 H VAL A 63 -13.063 2.104 0.818 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.017 0.341 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.661 1.759 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.590 1.501 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.283 -0.071 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.471 0.527 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.054 3.448 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.008 2.567 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.817 3.301 -0.277 1.00 0.00 H new ATOM 1000 N THR A 64 -11.968 -0.656 2.042 1.00 0.00 N ATOM 1001 CA THR A 64 -11.806 -1.806 2.914 1.00 0.00 C ATOM 1002 C THR A 64 -12.650 -2.973 2.412 1.00 0.00 C ATOM 1003 O THR A 64 -12.210 -4.122 2.415 1.00 0.00 O ATOM 1004 CB THR A 64 -12.211 -1.456 4.361 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.254 -0.555 4.930 1.00 0.00 O ATOM 1006 CG2 THR A 64 -12.315 -2.703 5.231 1.00 0.00 C ATOM 0 H THR A 64 -12.305 0.184 2.512 1.00 0.00 H new ATOM 0 HA THR A 64 -10.755 -2.093 2.905 1.00 0.00 H new ATOM 0 HB THR A 64 -13.192 -0.983 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.090 -0.800 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.602 -2.418 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.067 -3.374 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.350 -3.210 5.257 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.869 -2.662 1.987 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.787 -3.677 1.484 1.00 0.00 C ATOM 1016 C GLU A 65 -14.330 -4.232 0.133 1.00 0.00 C ATOM 1017 O GLU A 65 -14.558 -5.402 -0.172 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.197 -3.099 1.356 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.291 -4.155 1.389 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.504 -3.714 2.185 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.320 -3.061 3.234 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -19.637 -4.020 1.759 1.00 0.00 O ATOM 0 H GLU A 65 -14.245 -1.714 1.981 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.794 -4.498 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.365 -2.388 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.269 -2.542 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.596 -4.389 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.892 -5.073 1.821 1.00 0.00 H new ATOM 1029 N LYS A 66 -13.696 -3.387 -0.679 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.227 -3.808 -1.999 1.00 0.00 C ATOM 1031 C LYS A 66 -12.223 -4.950 -1.897 1.00 0.00 C ATOM 1032 O LYS A 66 -12.252 -5.888 -2.694 1.00 0.00 O ATOM 1033 CB LYS A 66 -12.574 -2.636 -2.737 1.00 0.00 C ATOM 1034 CG LYS A 66 -13.527 -1.503 -3.074 1.00 0.00 C ATOM 1035 CD LYS A 66 -14.751 -1.999 -3.825 1.00 0.00 C ATOM 1036 CE LYS A 66 -15.643 -0.843 -4.246 1.00 0.00 C ATOM 1037 NZ LYS A 66 -16.282 -1.087 -5.569 1.00 0.00 N ATOM 0 H LYS A 66 -13.496 -2.414 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.099 -4.154 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.762 -2.243 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.127 -3.006 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.841 -1.007 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.008 -0.759 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.438 -2.560 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.315 -2.686 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.416 -0.688 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.053 0.073 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.882 -0.275 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.545 -1.210 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.865 -1.947 -5.520 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.336 -4.868 -0.912 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.325 -5.894 -0.707 1.00 0.00 C ATOM 1053 C GLU A 67 -10.579 -6.656 0.587 1.00 0.00 C ATOM 1054 O GLU A 67 -9.744 -7.446 1.026 1.00 0.00 O ATOM 1055 CB GLU A 67 -8.926 -5.271 -0.706 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.689 -4.316 -1.865 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.566 -5.032 -3.195 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -9.399 -5.921 -3.471 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -7.636 -4.703 -3.962 1.00 0.00 O ATOM 0 H GLU A 67 -11.298 -4.099 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.385 -6.605 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.775 -4.737 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.182 -6.067 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.511 -3.602 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.780 -3.744 -1.679 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.741 -6.414 1.192 1.00 0.00 N ATOM 1067 CA ASN A 68 -12.120 -7.077 2.427 1.00 0.00 C ATOM 1068 C ASN A 68 -11.033 -6.946 3.495 1.00 0.00 C ATOM 1069 O ASN A 68 -10.682 -7.912 4.170 1.00 0.00 O ATOM 1070 CB ASN A 68 -12.471 -8.538 2.145 1.00 0.00 C ATOM 1071 CG ASN A 68 -11.263 -9.452 2.010 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -10.726 -9.946 3.001 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -10.841 -9.693 0.774 1.00 0.00 N ATOM 0 H ASN A 68 -12.437 -5.757 0.839 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.005 -6.584 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.106 -8.910 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.056 -8.589 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.043 -10.308 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.315 -9.263 -0.020 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.513 -5.733 3.644 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.470 -5.450 4.627 1.00 0.00 C ATOM 1082 C ILE A 69 -9.883 -5.936 6.015 1.00 0.00 C ATOM 1083 O ILE A 69 -10.771 -5.361 6.645 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.154 -3.937 4.676 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.623 -3.447 3.325 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.157 -3.629 5.778 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.501 -4.294 2.770 1.00 0.00 C ATOM 0 H ILE A 69 -10.798 -4.923 3.093 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.573 -5.987 4.319 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.082 -3.408 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.443 -3.430 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.272 -2.421 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.950 -2.559 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.572 -3.932 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.232 -4.175 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.177 -3.886 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.664 -4.291 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.852 -5.316 2.629 1.00 0.00 H new ATOM 1099 N THR A 70 -9.251 -7.015 6.473 1.00 0.00 N ATOM 1100 CA THR A 70 -9.575 -7.593 7.771 1.00 0.00 C ATOM 1101 C THR A 70 -8.465 -7.403 8.808 1.00 0.00 C ATOM 1102 O THR A 70 -8.745 -7.178 9.985 1.00 0.00 O ATOM 1103 CB THR A 70 -9.864 -9.094 7.629 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.010 -9.666 6.631 1.00 0.00 O ATOM 1105 CG2 THR A 70 -11.318 -9.331 7.254 1.00 0.00 C ATOM 0 H THR A 70 -8.514 -7.504 5.965 1.00 0.00 H new ATOM 0 HA THR A 70 -10.458 -7.062 8.127 1.00 0.00 H new ATOM 0 HB THR A 70 -9.670 -9.571 8.590 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.200 -10.624 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.499 -10.402 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.965 -8.921 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.533 -8.841 6.305 1.00 0.00 H new ATOM 1113 N SER A 71 -7.210 -7.519 8.380 1.00 0.00 N ATOM 1114 CA SER A 71 -6.079 -7.382 9.301 1.00 0.00 C ATOM 1115 C SER A 71 -5.199 -6.183 8.950 1.00 0.00 C ATOM 1116 O SER A 71 -4.634 -6.116 7.860 1.00 0.00 O ATOM 1117 CB SER A 71 -5.238 -8.661 9.289 1.00 0.00 C ATOM 1118 OG SER A 71 -4.858 -9.032 10.603 1.00 0.00 O ATOM 0 H SER A 71 -6.950 -7.706 7.412 1.00 0.00 H new ATOM 0 HA SER A 71 -6.486 -7.216 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.806 -9.470 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.348 -8.509 8.678 1.00 0.00 H new ATOM 0 HG SER A 71 -4.538 -9.958 10.602 1.00 0.00 H new ATOM 1124 N MET A 72 -5.082 -5.243 9.887 1.00 0.00 N ATOM 1125 CA MET A 72 -4.266 -4.045 9.684 1.00 0.00 C ATOM 1126 C MET A 72 -3.105 -3.989 10.674 1.00 0.00 C ATOM 1127 O MET A 72 -3.212 -4.490 11.794 1.00 0.00 O ATOM 1128 CB MET A 72 -5.122 -2.785 9.842 1.00 0.00 C ATOM 1129 CG MET A 72 -5.667 -2.236 8.532 1.00 0.00 C ATOM 1130 SD MET A 72 -5.846 -0.443 8.562 1.00 0.00 S ATOM 1131 CE MET A 72 -7.004 -0.245 9.914 1.00 0.00 C ATOM 0 H MET A 72 -5.543 -5.288 10.796 1.00 0.00 H new ATOM 0 HA MET A 72 -3.862 -4.091 8.673 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.957 -3.007 10.506 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.526 -2.012 10.327 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.000 -2.519 7.717 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.635 -2.692 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.550 0.690 9.791 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.707 -1.078 9.916 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.461 -0.227 10.859 1.00 0.00 H new ATOM 1141 N PRO A 73 -1.981 -3.353 10.287 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.806 -2.737 8.959 1.00 0.00 C ATOM 1143 C PRO A 73 -1.641 -3.782 7.857 1.00 0.00 C ATOM 1144 O PRO A 73 -0.966 -4.794 8.052 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.519 -1.924 9.123 1.00 0.00 C ATOM 1146 CG PRO A 73 0.249 -2.675 10.149 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.772 -3.206 11.117 1.00 0.00 C ATOM 0 HA PRO A 73 -2.670 -2.143 8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.031 -1.853 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.729 -0.905 9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.817 -3.487 9.695 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.966 -2.027 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.461 -4.158 11.548 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.935 -2.519 11.947 1.00 0.00 H new ATOM 1155 N THR A 74 -2.255 -3.542 6.701 1.00 0.00 N ATOM 1156 CA THR A 74 -2.161 -4.479 5.588 1.00 0.00 C ATOM 1157 C THR A 74 -1.492 -3.860 4.363 1.00 0.00 C ATOM 1158 O THR A 74 -1.918 -2.819 3.862 1.00 0.00 O ATOM 1159 CB THR A 74 -3.549 -5.004 5.169 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.549 -4.534 6.080 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.559 -6.527 5.127 1.00 0.00 C ATOM 0 H THR A 74 -2.818 -2.713 6.512 1.00 0.00 H new ATOM 0 HA THR A 74 -1.547 -5.304 5.950 1.00 0.00 H new ATOM 0 HB THR A 74 -3.771 -4.628 4.170 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.886 -5.285 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.548 -6.876 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.819 -6.876 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.318 -6.920 6.115 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.471 -4.546 3.861 1.00 0.00 N ATOM 1170 CA PHE A 75 0.243 -4.119 2.658 1.00 0.00 C ATOM 1171 C PHE A 75 -0.006 -5.141 1.564 1.00 0.00 C ATOM 1172 O PHE A 75 0.376 -6.304 1.696 1.00 0.00 O ATOM 1173 CB PHE A 75 1.757 -4.007 2.885 1.00 0.00 C ATOM 1174 CG PHE A 75 2.208 -2.844 3.734 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.296 -2.000 4.349 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.564 -2.601 3.915 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.728 -0.937 5.125 1.00 0.00 C ATOM 1178 CE2 PHE A 75 3.998 -1.542 4.690 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.081 -0.710 5.294 1.00 0.00 C ATOM 0 H PHE A 75 -0.115 -5.409 4.272 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.127 -3.131 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.105 -4.929 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.247 -3.935 1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.238 -2.173 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.289 -3.248 3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.008 -0.286 5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.055 -1.367 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.419 0.119 5.899 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.652 -4.719 0.494 1.00 0.00 N ATOM 1190 CA LYS A 76 -0.949 -5.624 -0.603 1.00 0.00 C ATOM 1191 C LYS A 76 -0.423 -5.069 -1.918 1.00 0.00 C ATOM 1192 O LYS A 76 -0.571 -3.882 -2.206 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.462 -5.851 -0.700 1.00 0.00 C ATOM 1194 CG LYS A 76 -2.933 -7.210 -0.195 1.00 0.00 C ATOM 1195 CD LYS A 76 -3.978 -7.811 -1.121 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.319 -7.111 -0.980 1.00 0.00 C ATOM 1197 NZ LYS A 76 -6.193 -7.342 -2.163 1.00 0.00 N ATOM 0 H LYS A 76 -0.980 -3.762 0.360 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.454 -6.575 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.970 -5.071 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.767 -5.739 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.082 -7.886 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.349 -7.104 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.635 -7.738 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.095 -8.872 -0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.822 -7.468 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.158 -6.041 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.085 -6.820 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.710 -7.009 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.396 -8.358 -2.252 1.00 0.00 H new ATOM 1211 N VAL A 77 0.169 -5.940 -2.724 1.00 0.00 N ATOM 1212 CA VAL A 77 0.686 -5.539 -4.015 1.00 0.00 C ATOM 1213 C VAL A 77 -0.317 -5.924 -5.082 1.00 0.00 C ATOM 1214 O VAL A 77 -0.872 -7.022 -5.060 1.00 0.00 O ATOM 1215 CB VAL A 77 2.049 -6.186 -4.311 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.521 -5.835 -5.712 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.075 -5.737 -3.290 1.00 0.00 C ATOM 0 H VAL A 77 0.301 -6.927 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 77 0.837 -4.460 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 77 1.934 -7.268 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.487 -6.304 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.796 -6.196 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.619 -4.753 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.036 -6.202 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.179 -4.653 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.749 -6.033 -2.293 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.586 -5.003 -5.986 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.567 -5.240 -7.023 1.00 0.00 C ATOM 1229 C TYR A 78 -0.940 -5.327 -8.407 1.00 0.00 C ATOM 1230 O TYR A 78 -0.227 -4.426 -8.839 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.611 -4.129 -6.977 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.410 -4.094 -5.689 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.406 -5.166 -4.808 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.173 -2.987 -5.360 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -4.140 -5.136 -3.640 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -4.914 -2.946 -4.194 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.895 -4.025 -3.338 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.629 -3.994 -2.176 1.00 0.00 O ATOM 0 H TYR A 78 -0.140 -4.086 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.036 -6.206 -6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.113 -3.169 -7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.296 -4.252 -7.816 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.817 -6.041 -5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.190 -2.138 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.122 -5.980 -2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.504 -2.073 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.134 -3.501 -1.489 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.228 -6.423 -9.099 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.713 -6.645 -10.439 1.00 0.00 C ATOM 1250 C LYS A 79 -1.852 -6.725 -11.439 1.00 0.00 C ATOM 1251 O LYS A 79 -2.811 -7.476 -11.257 1.00 0.00 O ATOM 1252 CB LYS A 79 0.120 -7.925 -10.478 1.00 0.00 C ATOM 1253 CG LYS A 79 1.438 -7.763 -11.208 1.00 0.00 C ATOM 1254 CD LYS A 79 1.822 -9.028 -11.959 1.00 0.00 C ATOM 1255 CE LYS A 79 2.837 -8.741 -13.053 1.00 0.00 C ATOM 1256 NZ LYS A 79 3.848 -9.827 -13.174 1.00 0.00 N ATOM 0 H LYS A 79 -1.820 -7.176 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.075 -5.804 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.316 -8.253 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.460 -8.712 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.366 -6.931 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.222 -7.512 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.235 -9.756 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.931 -9.477 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.320 -8.619 -14.005 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.341 -7.798 -12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.521 -9.592 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.360 -9.927 -12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.370 -10.722 -13.401 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.740 -5.928 -12.487 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.756 -5.873 -13.527 1.00 0.00 C ATOM 1272 C ASN A 80 -4.106 -5.479 -12.933 1.00 0.00 C ATOM 1273 O ASN A 80 -5.156 -5.935 -13.386 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.873 -7.220 -14.247 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.618 -8.067 -14.129 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -1.517 -8.930 -13.256 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.652 -7.824 -15.008 1.00 0.00 N ATOM 0 H ASN A 80 -0.948 -5.304 -12.642 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.455 -5.118 -14.253 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.718 -7.773 -13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.089 -7.045 -15.301 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.214 -8.362 -14.976 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.776 -7.100 -15.715 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.064 -4.606 -11.930 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.279 -4.128 -11.296 1.00 0.00 C ATOM 1286 C GLY A 81 -5.946 -5.138 -10.379 1.00 0.00 C ATOM 1287 O GLY A 81 -7.174 -5.185 -10.308 1.00 0.00 O ATOM 0 H GLY A 81 -3.203 -4.219 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.046 -3.232 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.988 -3.835 -12.071 1.00 0.00 H new ATOM 1291 N SER A 82 -5.160 -5.942 -9.665 1.00 0.00 N ATOM 1292 CA SER A 82 -5.737 -6.922 -8.760 1.00 0.00 C ATOM 1293 C SER A 82 -4.737 -7.391 -7.709 1.00 0.00 C ATOM 1294 O SER A 82 -3.618 -6.897 -7.643 1.00 0.00 O ATOM 1295 CB SER A 82 -6.263 -8.111 -9.553 1.00 0.00 C ATOM 1296 OG SER A 82 -5.576 -8.247 -10.785 1.00 0.00 O ATOM 0 H SER A 82 -4.141 -5.932 -9.697 1.00 0.00 H new ATOM 0 HA SER A 82 -6.560 -6.440 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.148 -9.023 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.329 -7.984 -9.740 1.00 0.00 H new ATOM 0 HG SER A 82 -4.622 -8.067 -10.649 1.00 0.00 H new ATOM 1302 N SER A 83 -5.165 -8.341 -6.877 1.00 0.00 N ATOM 1303 CA SER A 83 -4.323 -8.869 -5.805 1.00 0.00 C ATOM 1304 C SER A 83 -3.175 -9.724 -6.329 1.00 0.00 C ATOM 1305 O SER A 83 -3.281 -10.364 -7.375 1.00 0.00 O ATOM 1306 CB SER A 83 -5.157 -9.676 -4.813 1.00 0.00 C ATOM 1307 OG SER A 83 -6.449 -9.951 -5.327 1.00 0.00 O ATOM 0 H SER A 83 -6.093 -8.761 -6.926 1.00 0.00 H new ATOM 0 HA SER A 83 -3.886 -8.008 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.648 -10.612 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.246 -9.125 -3.877 1.00 0.00 H new ATOM 0 HG SER A 83 -6.370 -10.506 -6.131 1.00 0.00 H new ATOM 1313 N VAL A 84 -2.077 -9.726 -5.575 1.00 0.00 N ATOM 1314 CA VAL A 84 -0.895 -10.498 -5.934 1.00 0.00 C ATOM 1315 C VAL A 84 -0.101 -10.946 -4.693 1.00 0.00 C ATOM 1316 O VAL A 84 0.425 -12.059 -4.663 1.00 0.00 O ATOM 1317 CB VAL A 84 0.010 -9.708 -6.915 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.025 -8.835 -6.195 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.705 -10.660 -7.874 1.00 0.00 C ATOM 0 H VAL A 84 -1.984 -9.198 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.242 -11.399 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.636 -9.038 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.633 -8.304 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.503 -8.114 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.668 -9.460 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.337 -10.092 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.320 -11.361 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.042 -11.211 -8.445 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.022 -10.089 -3.668 1.00 0.00 N ATOM 1330 CA ASP A 85 0.699 -10.425 -2.440 1.00 0.00 C ATOM 1331 C ASP A 85 0.117 -9.678 -1.242 1.00 0.00 C ATOM 1332 O ASP A 85 -0.378 -8.560 -1.382 1.00 0.00 O ATOM 1333 CB ASP A 85 2.182 -10.090 -2.583 1.00 0.00 C ATOM 1334 CG ASP A 85 3.069 -11.086 -1.861 1.00 0.00 C ATOM 1335 OD1 ASP A 85 3.084 -12.268 -2.263 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.747 -10.684 -0.892 1.00 0.00 O ATOM 0 H ASP A 85 -0.447 -9.162 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 85 0.588 -11.496 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.447 -10.070 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.366 -9.090 -2.189 1.00 0.00 H new ATOM 1341 N THR A 86 0.180 -10.298 -0.064 1.00 0.00 N ATOM 1342 CA THR A 86 -0.339 -9.684 1.147 1.00 0.00 C ATOM 1343 C THR A 86 0.687 -9.725 2.277 1.00 0.00 C ATOM 1344 O THR A 86 1.303 -10.761 2.530 1.00 0.00 O ATOM 1345 CB THR A 86 -1.618 -10.391 1.616 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.364 -11.788 1.810 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.740 -10.211 0.607 1.00 0.00 C ATOM 0 H THR A 86 0.586 -11.224 0.072 1.00 0.00 H new ATOM 0 HA THR A 86 -0.562 -8.645 0.904 1.00 0.00 H new ATOM 0 HB THR A 86 -1.926 -9.943 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.185 -12.231 2.111 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.635 -10.721 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.952 -9.149 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.439 -10.633 -0.352 1.00 0.00 H new ATOM 1355 N LEU A 87 0.867 -8.593 2.955 1.00 0.00 N ATOM 1356 CA LEU A 87 1.817 -8.505 4.056 1.00 0.00 C ATOM 1357 C LEU A 87 1.114 -8.044 5.336 1.00 0.00 C ATOM 1358 O LEU A 87 0.457 -7.003 5.355 1.00 0.00 O ATOM 1359 CB LEU A 87 2.966 -7.563 3.658 1.00 0.00 C ATOM 1360 CG LEU A 87 3.375 -6.496 4.677 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.894 -7.129 5.949 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.426 -5.580 4.075 1.00 0.00 C ATOM 0 H LEU A 87 0.367 -7.726 2.759 1.00 0.00 H new ATOM 0 HA LEU A 87 2.237 -9.489 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.842 -8.172 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.686 -7.059 2.733 1.00 0.00 H new ATOM 0 HG LEU A 87 2.493 -5.908 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.177 -6.348 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.115 -7.751 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.764 -7.744 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.712 -4.824 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.303 -6.165 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.019 -5.093 3.189 1.00 0.00 H new ATOM 1374 N LEU A 88 1.247 -8.838 6.399 1.00 0.00 N ATOM 1375 CA LEU A 88 0.614 -8.525 7.680 1.00 0.00 C ATOM 1376 C LEU A 88 1.556 -7.723 8.571 1.00 0.00 C ATOM 1377 O LEU A 88 2.753 -8.003 8.636 1.00 0.00 O ATOM 1378 CB LEU A 88 0.186 -9.811 8.394 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.324 -10.030 8.472 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.638 -11.403 9.051 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -1.975 -8.934 9.303 1.00 0.00 C ATOM 0 H LEU A 88 1.788 -9.703 6.398 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.270 -7.920 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.636 -10.661 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.590 -9.799 9.406 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.733 -9.986 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.718 -11.540 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.202 -12.174 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.218 -11.479 10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.051 -9.103 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.561 -8.948 10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.780 -7.965 8.844 1.00 0.00 H new ATOM 1393 N GLY A 89 1.011 -6.711 9.241 1.00 0.00 N ATOM 1394 CA GLY A 89 1.830 -5.873 10.095 1.00 0.00 C ATOM 1395 C GLY A 89 2.829 -5.095 9.271 1.00 0.00 C ATOM 1396 O GLY A 89 3.395 -5.635 8.320 1.00 0.00 O ATOM 0 H GLY A 89 0.023 -6.459 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.197 -5.185 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.354 -6.490 10.825 1.00 0.00 H new ATOM 1400 N ALA A 90 3.046 -3.828 9.601 1.00 0.00 N ATOM 1401 CA ALA A 90 3.980 -3.030 8.829 1.00 0.00 C ATOM 1402 C ALA A 90 5.385 -3.106 9.403 1.00 0.00 C ATOM 1403 O ALA A 90 5.687 -2.516 10.440 1.00 0.00 O ATOM 1404 CB ALA A 90 3.506 -1.589 8.772 1.00 0.00 C ATOM 0 H ALA A 90 2.599 -3.343 10.379 1.00 0.00 H new ATOM 0 HA ALA A 90 4.016 -3.435 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.212 -0.996 8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.524 -1.547 8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.441 -1.187 9.783 1.00 0.00 H new ATOM 1410 N ASN A 91 6.244 -3.810 8.683 1.00 0.00 N ATOM 1411 CA ASN A 91 7.640 -3.954 9.055 1.00 0.00 C ATOM 1412 C ASN A 91 8.504 -3.454 7.908 1.00 0.00 C ATOM 1413 O ASN A 91 8.211 -3.740 6.747 1.00 0.00 O ATOM 1414 CB ASN A 91 7.959 -5.412 9.388 1.00 0.00 C ATOM 1415 CG ASN A 91 7.196 -5.906 10.602 1.00 0.00 C ATOM 1416 OD1 ASN A 91 6.550 -6.953 10.559 1.00 0.00 O ATOM 1417 ND2 ASN A 91 7.267 -5.153 11.694 1.00 0.00 N ATOM 0 H ASN A 91 5.991 -4.298 7.824 1.00 0.00 H new ATOM 0 HA ASN A 91 7.848 -3.363 9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.718 -6.039 8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.029 -5.516 9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.774 -5.435 12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.814 -4.292 11.685 1.00 0.00 H new ATOM 1424 N ASP A 92 9.559 -2.711 8.207 1.00 0.00 N ATOM 1425 CA ASP A 92 10.415 -2.206 7.145 1.00 0.00 C ATOM 1426 C ASP A 92 11.107 -3.376 6.437 1.00 0.00 C ATOM 1427 O ASP A 92 11.214 -3.415 5.214 1.00 0.00 O ATOM 1428 CB ASP A 92 11.466 -1.255 7.721 1.00 0.00 C ATOM 1429 CG ASP A 92 12.178 -1.841 8.925 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.651 -1.706 10.049 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.261 -2.435 8.743 1.00 0.00 O ATOM 0 H ASP A 92 9.838 -2.449 9.152 1.00 0.00 H new ATOM 0 HA ASP A 92 9.802 -1.661 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.198 -1.017 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.987 -0.318 8.006 1.00 0.00 H new ATOM 1436 N SER A 93 11.567 -4.330 7.238 1.00 0.00 N ATOM 1437 CA SER A 93 12.253 -5.522 6.748 1.00 0.00 C ATOM 1438 C SER A 93 11.333 -6.504 6.020 1.00 0.00 C ATOM 1439 O SER A 93 11.742 -7.138 5.048 1.00 0.00 O ATOM 1440 CB SER A 93 12.940 -6.235 7.909 1.00 0.00 C ATOM 1441 OG SER A 93 13.419 -5.308 8.867 1.00 0.00 O ATOM 0 H SER A 93 11.474 -4.299 8.253 1.00 0.00 H new ATOM 0 HA SER A 93 12.984 -5.177 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.239 -6.923 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.769 -6.834 7.532 1.00 0.00 H new ATOM 0 HG SER A 93 13.853 -5.791 9.601 1.00 0.00 H new ATOM 1447 N ALA A 94 10.106 -6.658 6.510 1.00 0.00 N ATOM 1448 CA ALA A 94 9.165 -7.604 5.908 1.00 0.00 C ATOM 1449 C ALA A 94 8.689 -7.094 4.577 1.00 0.00 C ATOM 1450 O ALA A 94 8.521 -7.854 3.624 1.00 0.00 O ATOM 1451 CB ALA A 94 7.990 -7.870 6.835 1.00 0.00 C ATOM 0 H ALA A 94 9.741 -6.147 7.314 1.00 0.00 H new ATOM 0 HA ALA A 94 9.686 -8.549 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.307 -8.576 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.354 -8.289 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.465 -6.936 7.035 1.00 0.00 H new ATOM 1457 N LEU A 95 8.503 -5.798 4.509 1.00 0.00 N ATOM 1458 CA LEU A 95 8.082 -5.178 3.286 1.00 0.00 C ATOM 1459 C LEU A 95 9.259 -5.106 2.332 1.00 0.00 C ATOM 1460 O LEU A 95 9.091 -5.147 1.114 1.00 0.00 O ATOM 1461 CB LEU A 95 7.563 -3.780 3.558 1.00 0.00 C ATOM 1462 CG LEU A 95 7.680 -2.839 2.369 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.382 -2.839 1.594 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.100 -1.452 2.821 1.00 0.00 C ATOM 0 H LEU A 95 8.638 -5.156 5.290 1.00 0.00 H new ATOM 0 HA LEU A 95 7.281 -5.770 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.517 -3.843 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.111 -3.357 4.400 1.00 0.00 H new ATOM 0 HG LEU A 95 8.462 -3.189 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.467 -2.164 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.170 -3.847 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.571 -2.505 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.178 -0.795 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.357 -1.054 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.067 -1.509 3.321 1.00 0.00 H new ATOM 1476 N LYS A 96 10.457 -4.995 2.895 1.00 0.00 N ATOM 1477 CA LYS A 96 11.650 -4.911 2.100 1.00 0.00 C ATOM 1478 C LYS A 96 11.696 -6.100 1.162 1.00 0.00 C ATOM 1479 O LYS A 96 11.881 -5.947 -0.041 1.00 0.00 O ATOM 1480 CB LYS A 96 12.873 -4.890 3.019 1.00 0.00 C ATOM 1481 CG LYS A 96 14.197 -4.932 2.287 1.00 0.00 C ATOM 1482 CD LYS A 96 14.259 -3.890 1.186 1.00 0.00 C ATOM 1483 CE LYS A 96 15.361 -4.211 0.204 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.573 -3.377 0.431 1.00 0.00 N ATOM 0 H LYS A 96 10.615 -4.962 3.902 1.00 0.00 H new ATOM 0 HA LYS A 96 11.651 -3.995 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.838 -3.990 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.818 -5.741 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.010 -4.764 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.346 -5.924 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.303 -3.848 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.429 -2.905 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.626 -5.265 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.998 -4.054 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.304 -3.630 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.328 -2.372 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.936 -3.546 1.391 1.00 0.00 H new ATOM 1498 N GLN A 97 11.487 -7.283 1.722 1.00 0.00 N ATOM 1499 CA GLN A 97 11.470 -8.500 0.930 1.00 0.00 C ATOM 1500 C GLN A 97 10.203 -8.597 0.069 1.00 0.00 C ATOM 1501 O GLN A 97 10.258 -9.108 -1.049 1.00 0.00 O ATOM 1502 CB GLN A 97 11.625 -9.743 1.821 1.00 0.00 C ATOM 1503 CG GLN A 97 10.460 -9.999 2.767 1.00 0.00 C ATOM 1504 CD GLN A 97 10.719 -11.163 3.703 1.00 0.00 C ATOM 1505 OE1 GLN A 97 10.684 -12.324 3.295 1.00 0.00 O ATOM 1506 NE2 GLN A 97 10.981 -10.856 4.969 1.00 0.00 N ATOM 0 H GLN A 97 11.327 -7.424 2.720 1.00 0.00 H new ATOM 0 HA GLN A 97 12.324 -8.460 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.755 -10.617 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.537 -9.640 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.268 -9.101 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.560 -10.198 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.000 -9.880 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.163 -11.597 5.646 1.00 0.00 H new ATOM 1515 N LEU A 98 9.056 -8.116 0.578 1.00 0.00 N ATOM 1516 CA LEU A 98 7.812 -8.182 -0.192 1.00 0.00 C ATOM 1517 C LEU A 98 7.849 -7.253 -1.405 1.00 0.00 C ATOM 1518 O LEU A 98 7.530 -7.652 -2.525 1.00 0.00 O ATOM 1519 CB LEU A 98 6.615 -7.825 0.694 1.00 0.00 C ATOM 1520 CG LEU A 98 5.363 -7.358 -0.057 1.00 0.00 C ATOM 1521 CD1 LEU A 98 5.077 -8.258 -1.249 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.168 -7.327 0.872 1.00 0.00 C ATOM 0 H LEU A 98 8.968 -7.687 1.499 1.00 0.00 H new ATOM 0 HA LEU A 98 7.706 -9.206 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.355 -8.697 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.918 -7.040 1.387 1.00 0.00 H new ATOM 0 HG LEU A 98 5.548 -6.349 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.184 -7.906 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.925 -8.235 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.917 -9.279 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.288 -6.993 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.990 -8.326 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.364 -6.639 1.694 1.00 0.00 H new ATOM 1534 N ILE A 99 8.229 -6.010 -1.155 1.00 0.00 N ATOM 1535 CA ILE A 99 8.307 -4.991 -2.179 1.00 0.00 C ATOM 1536 C ILE A 99 9.441 -5.292 -3.157 1.00 0.00 C ATOM 1537 O ILE A 99 9.336 -5.028 -4.355 1.00 0.00 O ATOM 1538 CB ILE A 99 8.412 -3.595 -1.504 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.557 -2.583 -2.250 1.00 0.00 C ATOM 1540 CG2 ILE A 99 9.840 -3.094 -1.380 1.00 0.00 C ATOM 1541 CD1 ILE A 99 7.896 -2.500 -3.713 1.00 0.00 C ATOM 0 H ILE A 99 8.493 -5.681 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 99 7.399 -4.987 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 99 8.038 -3.712 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.506 -2.850 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.685 -1.601 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.842 -2.115 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.420 -3.794 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.285 -3.013 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.254 -1.762 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.939 -2.204 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.741 -3.474 -4.178 1.00 0.00 H new ATOM 1553 N GLU A 100 10.504 -5.882 -2.634 1.00 0.00 N ATOM 1554 CA GLU A 100 11.655 -6.276 -3.431 1.00 0.00 C ATOM 1555 C GLU A 100 11.296 -7.372 -4.442 1.00 0.00 C ATOM 1556 O GLU A 100 11.897 -7.483 -5.507 1.00 0.00 O ATOM 1557 CB GLU A 100 12.777 -6.760 -2.522 1.00 0.00 C ATOM 1558 CG GLU A 100 13.775 -5.668 -2.185 1.00 0.00 C ATOM 1559 CD GLU A 100 15.182 -6.203 -1.998 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.393 -7.005 -1.064 1.00 0.00 O ATOM 1561 OE2 GLU A 100 16.072 -5.819 -2.786 1.00 0.00 O ATOM 0 H GLU A 100 10.593 -6.102 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 100 11.987 -5.401 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.348 -7.150 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.299 -7.586 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.776 -4.923 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.459 -5.160 -1.274 1.00 0.00 H new ATOM 1568 N LYS A 101 10.359 -8.223 -4.069 1.00 0.00 N ATOM 1569 CA LYS A 101 9.972 -9.351 -4.909 1.00 0.00 C ATOM 1570 C LYS A 101 9.434 -8.933 -6.268 1.00 0.00 C ATOM 1571 O LYS A 101 9.808 -9.500 -7.295 1.00 0.00 O ATOM 1572 CB LYS A 101 8.895 -10.149 -4.189 1.00 0.00 C ATOM 1573 CG LYS A 101 9.328 -11.545 -3.774 1.00 0.00 C ATOM 1574 CD LYS A 101 8.191 -12.305 -3.108 1.00 0.00 C ATOM 1575 CE LYS A 101 8.644 -12.974 -1.820 1.00 0.00 C ATOM 1576 NZ LYS A 101 7.567 -13.806 -1.217 1.00 0.00 N ATOM 0 H LYS A 101 9.848 -8.158 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 101 10.871 -9.942 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.583 -9.599 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.023 -10.229 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.672 -12.096 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.172 -11.477 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.371 -11.620 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.805 -13.059 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.515 -13.598 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.957 -12.212 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.916 -14.244 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.745 -13.206 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.286 -14.549 -1.888 1.00 0.00 H new ATOM 1590 N TYR A 102 8.557 -7.950 -6.272 1.00 0.00 N ATOM 1591 CA TYR A 102 7.968 -7.469 -7.509 1.00 0.00 C ATOM 1592 C TYR A 102 8.669 -6.213 -7.970 1.00 0.00 C ATOM 1593 O TYR A 102 8.787 -5.945 -9.166 1.00 0.00 O ATOM 1594 CB TYR A 102 6.483 -7.199 -7.313 1.00 0.00 C ATOM 1595 CG TYR A 102 5.802 -8.285 -6.535 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.891 -8.318 -5.155 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.098 -9.288 -7.179 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.290 -9.325 -4.431 1.00 0.00 C ATOM 1599 CE2 TYR A 102 4.497 -10.302 -6.466 1.00 0.00 C ATOM 1600 CZ TYR A 102 4.594 -10.318 -5.091 1.00 0.00 C ATOM 1601 OH TYR A 102 4.002 -11.333 -4.378 1.00 0.00 O ATOM 0 H TYR A 102 8.235 -7.467 -5.433 1.00 0.00 H new ATOM 0 HA TYR A 102 8.088 -8.236 -8.274 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.355 -6.249 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.003 -7.098 -8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.439 -7.544 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.019 -9.275 -8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.363 -9.337 -3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.953 -11.080 -6.981 1.00 0.00 H new ATOM 0 HH TYR A 102 3.552 -11.947 -4.995 1.00 0.00 H new ATOM 1611 N ALA A 103 9.105 -5.428 -6.998 1.00 0.00 N ATOM 1612 CA ALA A 103 9.771 -4.165 -7.289 1.00 0.00 C ATOM 1613 C ALA A 103 11.291 -4.280 -7.231 1.00 0.00 C ATOM 1614 O ALA A 103 12.001 -3.601 -7.973 1.00 0.00 O ATOM 1615 CB ALA A 103 9.267 -3.109 -6.332 1.00 0.00 C ATOM 0 H ALA A 103 9.011 -5.640 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 103 9.529 -3.879 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.761 -2.161 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.190 -2.992 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.486 -3.412 -5.308 1.00 0.00 H new ATOM 1621 N ALA A 104 11.782 -5.147 -6.362 1.00 0.00 N ATOM 1622 CA ALA A 104 13.228 -5.359 -6.223 1.00 0.00 C ATOM 1623 C ALA A 104 13.956 -4.112 -5.760 1.00 0.00 C ATOM 1624 CB ALA A 104 13.823 -5.824 -7.535 1.00 0.00 C ATOM 0 H ALA A 104 11.210 -5.718 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 104 13.358 -6.126 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.896 -5.976 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.355 -6.761 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.648 -5.069 -8.302 1.00 0.00 H new TER 1630 ALA A 104