USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 22 MET CE :methyl -147:sc= -0.0178 (180deg=-0.126) USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 0.394 (180deg=-1.85) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= -2.33 (180deg=-2.37) USER MOD Single : A 31 ASN : amide:sc= 1.1 K(o=1.1,f=-0.58) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 100:sc= -0.266 USER MOD Single : A 39 SER OG : rot 180:sc= -1.22 USER MOD Single : A 41 GLN : amide:sc= -1.28! X(o=-1.3!,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -154:sc= -0.0625 (180deg=-0.713) USER MOD Single : A 70 SER OG : rot 180:sc= -0.23 USER MOD Single : A 71 SER OG : rot -170:sc= -0.901 USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 16 0.283 3.651 -12.390 1.00 0.00 N ATOM 39 CA LEU A 16 1.715 3.852 -12.260 1.00 0.00 C ATOM 40 C LEU A 16 2.490 2.814 -13.060 1.00 0.00 C ATOM 41 O LEU A 16 1.911 1.882 -13.621 1.00 0.00 O ATOM 42 CB LEU A 16 2.128 3.779 -10.789 1.00 0.00 C ATOM 43 CG LEU A 16 1.845 5.108 -10.076 1.00 0.00 C ATOM 44 CD1 LEU A 16 2.282 4.989 -8.621 1.00 0.00 C ATOM 45 CD2 LEU A 16 2.641 6.243 -10.721 1.00 0.00 C ATOM 0 HA LEU A 16 1.951 4.840 -12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.586 2.973 -10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.189 3.541 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 16 0.779 5.325 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.086 5.928 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.725 4.186 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.348 4.768 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.428 7.178 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.707 6.025 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.357 6.337 -11.769 1.00 0.00 H new ATOM 57 N THR A 17 3.807 2.992 -13.114 1.00 0.00 N ATOM 58 CA THR A 17 4.667 2.075 -13.854 1.00 0.00 C ATOM 59 C THR A 17 4.800 0.749 -13.114 1.00 0.00 C ATOM 60 O THR A 17 3.975 0.413 -12.264 1.00 0.00 O ATOM 61 CB THR A 17 6.052 2.700 -14.060 1.00 0.00 C ATOM 62 OG1 THR A 17 6.633 2.999 -12.798 1.00 0.00 O ATOM 63 CG2 THR A 17 5.918 3.982 -14.884 1.00 0.00 C ATOM 0 H THR A 17 4.300 3.759 -12.656 1.00 0.00 H new ATOM 0 HA THR A 17 4.213 1.887 -14.827 1.00 0.00 H new ATOM 0 HB THR A 17 6.692 1.996 -14.592 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.519 3.397 -12.932 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.903 4.425 -15.030 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.479 3.747 -15.853 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.277 4.688 -14.357 1.00 0.00 H new ATOM 71 N GLN A 18 5.840 -0.003 -13.448 1.00 0.00 N ATOM 72 CA GLN A 18 6.068 -1.290 -12.813 1.00 0.00 C ATOM 73 C GLN A 18 6.109 -1.133 -11.302 1.00 0.00 C ATOM 74 O GLN A 18 5.715 -2.037 -10.566 1.00 0.00 O ATOM 75 CB GLN A 18 7.393 -1.882 -13.296 1.00 0.00 C ATOM 76 CG GLN A 18 8.528 -0.902 -12.991 1.00 0.00 C ATOM 77 CD GLN A 18 9.862 -1.491 -13.439 1.00 0.00 C ATOM 78 OE1 GLN A 18 9.891 -2.404 -14.265 1.00 0.00 O ATOM 79 NE2 GLN A 18 10.972 -1.025 -12.936 1.00 0.00 N ATOM 0 H GLN A 18 6.534 0.255 -14.150 1.00 0.00 H new ATOM 0 HA GLN A 18 5.250 -1.959 -13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.579 -2.836 -12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.347 -2.080 -14.367 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.349 0.044 -13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.557 -0.687 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.944 -0.269 -12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.868 -1.417 -13.227 1.00 0.00 H new ATOM 88 N GLY A 19 6.593 0.015 -10.840 1.00 0.00 N ATOM 89 CA GLY A 19 6.679 0.259 -9.412 1.00 0.00 C ATOM 90 C GLY A 19 7.084 1.699 -9.115 1.00 0.00 C ATOM 91 O GLY A 19 8.029 1.943 -8.369 1.00 0.00 O ATOM 0 H GLY A 19 6.927 0.779 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.716 0.047 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.404 -0.423 -8.968 1.00 0.00 H new ATOM 95 N GLU A 20 6.368 2.649 -9.703 1.00 0.00 N ATOM 96 CA GLU A 20 6.662 4.057 -9.499 1.00 0.00 C ATOM 97 C GLU A 20 6.484 4.445 -8.035 1.00 0.00 C ATOM 98 O GLU A 20 7.005 5.465 -7.591 1.00 0.00 O ATOM 99 CB GLU A 20 5.740 4.900 -10.375 1.00 0.00 C ATOM 100 CG GLU A 20 6.570 5.882 -11.195 1.00 0.00 C ATOM 101 CD GLU A 20 5.686 6.600 -12.207 1.00 0.00 C ATOM 102 OE1 GLU A 20 5.697 7.819 -12.215 1.00 0.00 O ATOM 103 OE2 GLU A 20 5.015 5.918 -12.964 1.00 0.00 O ATOM 0 H GLU A 20 5.580 2.468 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 20 7.701 4.240 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.162 4.256 -11.037 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.026 5.441 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.044 6.609 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.370 5.351 -11.712 1.00 0.00 H new ATOM 110 N LEU A 21 5.748 3.632 -7.288 1.00 0.00 N ATOM 111 CA LEU A 21 5.525 3.912 -5.874 1.00 0.00 C ATOM 112 C LEU A 21 6.203 2.857 -4.997 1.00 0.00 C ATOM 113 O LEU A 21 6.477 3.096 -3.817 1.00 0.00 O ATOM 114 CB LEU A 21 4.021 3.961 -5.576 1.00 0.00 C ATOM 115 CG LEU A 21 3.429 2.545 -5.616 1.00 0.00 C ATOM 116 CD1 LEU A 21 3.206 2.013 -4.197 1.00 0.00 C ATOM 117 CD2 LEU A 21 2.085 2.576 -6.337 1.00 0.00 C ATOM 0 H LEU A 21 5.300 2.783 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 21 5.964 4.882 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.851 4.407 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.518 4.595 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 21 4.129 1.895 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.786 1.008 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.157 1.983 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.516 2.669 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.664 1.571 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.403 3.240 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.226 2.939 -7.355 1.00 0.00 H new ATOM 129 N MET A 22 6.471 1.692 -5.589 1.00 0.00 N ATOM 130 CA MET A 22 7.106 0.593 -4.870 1.00 0.00 C ATOM 131 C MET A 22 8.521 0.944 -4.445 1.00 0.00 C ATOM 132 O MET A 22 8.829 0.991 -3.255 1.00 0.00 O ATOM 133 CB MET A 22 7.132 -0.653 -5.768 1.00 0.00 C ATOM 134 CG MET A 22 8.375 -1.495 -5.477 1.00 0.00 C ATOM 135 SD MET A 22 8.094 -3.201 -6.010 1.00 0.00 S ATOM 136 CE MET A 22 8.849 -3.058 -7.646 1.00 0.00 C ATOM 0 H MET A 22 6.257 1.488 -6.565 1.00 0.00 H new ATOM 0 HA MET A 22 6.526 0.397 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.234 -1.248 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.125 -0.354 -6.816 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.238 -1.079 -5.997 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.602 -1.469 -4.411 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.325 -3.708 -8.347 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.781 -2.026 -7.989 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.897 -3.354 -7.590 1.00 0.00 H new ATOM 146 N LYS A 23 9.379 1.165 -5.419 1.00 0.00 N ATOM 147 CA LYS A 23 10.761 1.484 -5.123 1.00 0.00 C ATOM 148 C LYS A 23 10.868 2.896 -4.571 1.00 0.00 C ATOM 149 O LYS A 23 11.943 3.496 -4.566 1.00 0.00 O ATOM 150 CB LYS A 23 11.606 1.335 -6.390 1.00 0.00 C ATOM 151 CG LYS A 23 10.971 2.137 -7.536 1.00 0.00 C ATOM 152 CD LYS A 23 10.965 1.312 -8.829 1.00 0.00 C ATOM 153 CE LYS A 23 10.976 2.257 -10.036 1.00 0.00 C ATOM 154 NZ LYS A 23 9.985 3.349 -9.823 1.00 0.00 N ATOM 0 H LYS A 23 9.148 1.130 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 23 11.135 0.793 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.620 1.688 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.680 0.283 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.951 2.416 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.525 3.063 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.835 0.656 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.083 0.673 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.972 2.678 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.735 1.706 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.565 3.620 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.236 3.018 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.461 4.173 -9.403 1.00 0.00 H new ATOM 168 N LEU A 24 9.739 3.428 -4.112 1.00 0.00 N ATOM 169 CA LEU A 24 9.710 4.773 -3.565 1.00 0.00 C ATOM 170 C LEU A 24 9.414 4.744 -2.080 1.00 0.00 C ATOM 171 O LEU A 24 10.060 5.436 -1.300 1.00 0.00 O ATOM 172 CB LEU A 24 8.639 5.608 -4.259 1.00 0.00 C ATOM 173 CG LEU A 24 9.115 6.038 -5.653 1.00 0.00 C ATOM 174 CD1 LEU A 24 10.379 6.891 -5.535 1.00 0.00 C ATOM 175 CD2 LEU A 24 9.428 4.803 -6.492 1.00 0.00 C ATOM 0 H LEU A 24 8.839 2.948 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 24 10.691 5.218 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.718 5.031 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.410 6.488 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 24 8.326 6.620 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.709 7.191 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.165 7.779 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.165 6.311 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.766 5.111 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.212 4.222 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.531 4.192 -6.589 1.00 0.00 H new ATOM 187 N ILE A 25 8.415 3.959 -1.695 1.00 0.00 N ATOM 188 CA ILE A 25 8.034 3.889 -0.292 1.00 0.00 C ATOM 189 C ILE A 25 9.245 3.650 0.612 1.00 0.00 C ATOM 190 O ILE A 25 9.449 4.373 1.589 1.00 0.00 O ATOM 191 CB ILE A 25 7.017 2.759 -0.078 1.00 0.00 C ATOM 192 CG1 ILE A 25 7.327 1.596 -1.022 1.00 0.00 C ATOM 193 CG2 ILE A 25 5.600 3.262 -0.361 1.00 0.00 C ATOM 194 CD1 ILE A 25 6.620 0.335 -0.529 1.00 0.00 C ATOM 0 H ILE A 25 7.864 3.373 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 25 7.590 4.848 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 25 7.084 2.424 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.999 1.837 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.403 1.428 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.888 2.451 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.365 4.085 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.536 3.608 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.841 -0.493 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.969 0.091 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.544 0.506 -0.507 1.00 0.00 H new ATOM 206 N LYS A 26 10.039 2.636 0.290 1.00 0.00 N ATOM 207 CA LYS A 26 11.207 2.311 1.106 1.00 0.00 C ATOM 208 C LYS A 26 12.405 3.181 0.750 1.00 0.00 C ATOM 209 O LYS A 26 13.253 3.466 1.591 1.00 0.00 O ATOM 210 CB LYS A 26 11.572 0.838 0.911 1.00 0.00 C ATOM 211 CG LYS A 26 11.579 0.510 -0.584 1.00 0.00 C ATOM 212 CD LYS A 26 12.909 -0.151 -0.954 1.00 0.00 C ATOM 213 CE LYS A 26 12.992 -0.340 -2.473 1.00 0.00 C ATOM 214 NZ LYS A 26 13.114 0.991 -3.135 1.00 0.00 N ATOM 0 H LYS A 26 9.900 2.030 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 26 10.951 2.503 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.551 0.634 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.855 0.202 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.750 -0.156 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.438 1.420 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.740 0.465 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.998 -1.115 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.849 -0.964 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.104 -0.858 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.136 0.865 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.299 1.583 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.992 1.454 -2.824 1.00 0.00 H new ATOM 228 N GLU A 27 12.466 3.588 -0.500 1.00 0.00 N ATOM 229 CA GLU A 27 13.555 4.419 -0.986 1.00 0.00 C ATOM 230 C GLU A 27 13.455 5.816 -0.406 1.00 0.00 C ATOM 231 O GLU A 27 14.467 6.439 -0.108 1.00 0.00 O ATOM 232 CB GLU A 27 13.526 4.487 -2.512 1.00 0.00 C ATOM 233 CG GLU A 27 14.755 5.239 -3.023 1.00 0.00 C ATOM 234 CD GLU A 27 14.800 5.187 -4.546 1.00 0.00 C ATOM 235 OE1 GLU A 27 15.827 5.543 -5.100 1.00 0.00 O ATOM 236 OE2 GLU A 27 13.809 4.789 -5.137 1.00 0.00 O ATOM 0 H GLU A 27 11.768 3.356 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 27 14.497 3.973 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.505 3.480 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.617 4.989 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.724 6.275 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.661 4.797 -2.609 1.00 0.00 H new ATOM 243 N ILE A 28 12.225 6.304 -0.254 1.00 0.00 N ATOM 244 CA ILE A 28 12.011 7.635 0.288 1.00 0.00 C ATOM 245 C ILE A 28 11.951 7.584 1.807 1.00 0.00 C ATOM 246 O ILE A 28 12.475 8.465 2.484 1.00 0.00 O ATOM 247 CB ILE A 28 10.723 8.248 -0.283 1.00 0.00 C ATOM 248 CG1 ILE A 28 9.495 7.476 0.210 1.00 0.00 C ATOM 249 CG2 ILE A 28 10.766 8.184 -1.811 1.00 0.00 C ATOM 250 CD1 ILE A 28 8.771 8.289 1.283 1.00 0.00 C ATOM 0 H ILE A 28 11.372 5.800 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 28 12.850 8.267 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 28 10.652 9.283 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.822 7.275 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.799 6.511 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.853 8.618 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.628 8.743 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.847 7.145 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.898 7.737 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.445 8.468 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.453 9.243 0.863 1.00 0.00 H new ATOM 262 N VAL A 29 11.326 6.546 2.341 1.00 0.00 N ATOM 263 CA VAL A 29 11.225 6.401 3.779 1.00 0.00 C ATOM 264 C VAL A 29 12.599 6.162 4.392 1.00 0.00 C ATOM 265 O VAL A 29 12.866 6.583 5.517 1.00 0.00 O ATOM 266 CB VAL A 29 10.301 5.237 4.119 1.00 0.00 C ATOM 267 CG1 VAL A 29 10.378 4.950 5.615 1.00 0.00 C ATOM 268 CG2 VAL A 29 8.865 5.606 3.740 1.00 0.00 C ATOM 0 H VAL A 29 10.886 5.799 1.803 1.00 0.00 H new ATOM 0 HA VAL A 29 10.814 7.323 4.191 1.00 0.00 H new ATOM 0 HB VAL A 29 10.607 4.350 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.718 4.118 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.402 4.692 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.069 5.835 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.200 4.776 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.558 6.491 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.813 5.814 2.671 1.00 0.00 H new ATOM 278 N GLU A 30 13.468 5.476 3.653 1.00 0.00 N ATOM 279 CA GLU A 30 14.805 5.188 4.166 1.00 0.00 C ATOM 280 C GLU A 30 15.749 6.346 3.882 1.00 0.00 C ATOM 281 O GLU A 30 16.899 6.346 4.321 1.00 0.00 O ATOM 282 CB GLU A 30 15.357 3.908 3.535 1.00 0.00 C ATOM 283 CG GLU A 30 14.534 2.710 4.012 1.00 0.00 C ATOM 284 CD GLU A 30 14.705 2.523 5.516 1.00 0.00 C ATOM 285 OE1 GLU A 30 15.684 3.021 6.048 1.00 0.00 O ATOM 286 OE2 GLU A 30 13.854 1.886 6.115 1.00 0.00 O ATOM 0 H GLU A 30 13.277 5.116 2.718 1.00 0.00 H new ATOM 0 HA GLU A 30 14.730 5.049 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.319 3.980 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.404 3.776 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.481 2.864 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.851 1.809 3.487 1.00 0.00 H new ATOM 293 N ASN A 31 15.259 7.323 3.139 1.00 0.00 N ATOM 294 CA ASN A 31 16.066 8.475 2.790 1.00 0.00 C ATOM 295 C ASN A 31 15.695 9.686 3.635 1.00 0.00 C ATOM 296 O ASN A 31 16.403 10.695 3.637 1.00 0.00 O ATOM 297 CB ASN A 31 15.851 8.789 1.318 1.00 0.00 C ATOM 298 CG ASN A 31 17.036 8.290 0.496 1.00 0.00 C ATOM 299 OD1 ASN A 31 18.179 8.653 0.774 1.00 0.00 O ATOM 300 ND2 ASN A 31 16.834 7.475 -0.503 1.00 0.00 N ATOM 0 H ASN A 31 14.309 7.340 2.768 1.00 0.00 H new ATOM 0 HA ASN A 31 17.114 8.245 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.932 8.318 0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.731 9.864 1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 31 17.623 7.138 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.887 7.175 -0.733 1.00 0.00 H new ATOM 307 N GLU A 32 14.585 9.582 4.351 1.00 0.00 N ATOM 308 CA GLU A 32 14.130 10.676 5.192 1.00 0.00 C ATOM 309 C GLU A 32 14.609 10.500 6.618 1.00 0.00 C ATOM 310 O GLU A 32 15.792 10.674 6.912 1.00 0.00 O ATOM 311 CB GLU A 32 12.609 10.736 5.168 1.00 0.00 C ATOM 312 CG GLU A 32 12.122 11.243 3.809 1.00 0.00 C ATOM 313 CD GLU A 32 12.519 12.705 3.617 1.00 0.00 C ATOM 314 OE1 GLU A 32 12.761 13.369 4.612 1.00 0.00 O ATOM 315 OE2 GLU A 32 12.563 13.142 2.479 1.00 0.00 O ATOM 0 H GLU A 32 13.987 8.756 4.366 1.00 0.00 H new ATOM 0 HA GLU A 32 14.544 11.606 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.196 9.747 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.251 11.394 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.549 10.635 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.039 11.141 3.742 1.00 0.00 H new ATOM 322 N ASP A 33 13.686 10.151 7.503 1.00 0.00 N ATOM 323 CA ASP A 33 14.038 9.955 8.896 1.00 0.00 C ATOM 324 C ASP A 33 13.818 8.507 9.301 1.00 0.00 C ATOM 325 O ASP A 33 12.694 8.089 9.574 1.00 0.00 O ATOM 326 CB ASP A 33 13.204 10.872 9.791 1.00 0.00 C ATOM 327 CG ASP A 33 13.637 12.322 9.600 1.00 0.00 C ATOM 328 OD1 ASP A 33 14.630 12.540 8.926 1.00 0.00 O ATOM 329 OD2 ASP A 33 12.968 13.194 10.131 1.00 0.00 O ATOM 0 H ASP A 33 12.702 10.000 7.283 1.00 0.00 H new ATOM 0 HA ASP A 33 15.093 10.201 9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.146 10.765 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.324 10.582 10.835 1.00 0.00 H new ATOM 334 N LYS A 34 14.904 7.755 9.344 1.00 0.00 N ATOM 335 CA LYS A 34 14.832 6.350 9.725 1.00 0.00 C ATOM 336 C LYS A 34 14.310 6.214 11.155 1.00 0.00 C ATOM 337 O LYS A 34 13.545 5.302 11.457 1.00 0.00 O ATOM 338 CB LYS A 34 16.216 5.705 9.623 1.00 0.00 C ATOM 339 CG LYS A 34 16.639 5.632 8.156 1.00 0.00 C ATOM 340 CD LYS A 34 18.021 4.983 8.054 1.00 0.00 C ATOM 341 CE LYS A 34 18.447 4.922 6.587 1.00 0.00 C ATOM 342 NZ LYS A 34 19.788 4.281 6.486 1.00 0.00 N ATOM 0 H LYS A 34 15.842 8.088 9.122 1.00 0.00 H new ATOM 0 HA LYS A 34 14.147 5.843 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.942 6.285 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.196 4.705 10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.912 5.055 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.663 6.632 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.747 5.555 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.996 3.979 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.717 4.356 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.479 5.926 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.079 4.239 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.481 4.839 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.742 3.317 6.874 1.00 0.00 H new ATOM 356 N ARG A 35 14.736 7.127 12.027 1.00 0.00 N ATOM 357 CA ARG A 35 14.320 7.111 13.430 1.00 0.00 C ATOM 358 C ARG A 35 12.834 7.437 13.570 1.00 0.00 C ATOM 359 O ARG A 35 12.215 7.146 14.594 1.00 0.00 O ATOM 360 CB ARG A 35 15.133 8.137 14.212 1.00 0.00 C ATOM 361 CG ARG A 35 14.855 9.535 13.659 1.00 0.00 C ATOM 362 CD ARG A 35 15.671 10.549 14.450 1.00 0.00 C ATOM 363 NE ARG A 35 15.441 11.900 13.948 1.00 0.00 N ATOM 364 CZ ARG A 35 16.074 12.948 14.473 1.00 0.00 C ATOM 365 NH1 ARG A 35 16.913 12.784 15.459 1.00 0.00 N ATOM 366 NH2 ARG A 35 15.855 14.144 13.998 1.00 0.00 N ATOM 0 H ARG A 35 15.370 7.889 11.786 1.00 0.00 H new ATOM 0 HA ARG A 35 14.493 6.110 13.825 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.872 8.094 15.270 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.196 7.909 14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.118 9.582 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.792 9.766 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.401 10.497 15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.731 10.305 14.379 1.00 0.00 H new ATOM 0 HE ARG A 35 14.784 12.044 13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.087 11.850 15.831 1.00 0.00 H new ATOM 0 HH12 ARG A 35 17.395 13.590 15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.200 14.274 13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.338 14.948 14.398 1.00 0.00 H new ATOM 380 N LYS A 36 12.282 8.046 12.533 1.00 0.00 N ATOM 381 CA LYS A 36 10.875 8.425 12.521 1.00 0.00 C ATOM 382 C LYS A 36 10.226 8.009 11.200 1.00 0.00 C ATOM 383 O LYS A 36 10.131 8.811 10.268 1.00 0.00 O ATOM 384 CB LYS A 36 10.734 9.935 12.706 1.00 0.00 C ATOM 385 CG LYS A 36 10.756 10.255 14.202 1.00 0.00 C ATOM 386 CD LYS A 36 10.858 11.766 14.403 1.00 0.00 C ATOM 387 CE LYS A 36 12.201 12.100 15.050 1.00 0.00 C ATOM 388 NZ LYS A 36 12.254 13.555 15.357 1.00 0.00 N ATOM 0 H LYS A 36 12.789 8.290 11.683 1.00 0.00 H new ATOM 0 HA LYS A 36 10.373 7.914 13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.546 10.455 12.197 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.803 10.284 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.852 9.875 14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.601 9.757 14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.765 12.279 13.446 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.041 12.117 15.033 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.331 11.520 15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.017 11.828 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.168 13.784 15.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.148 14.100 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.483 13.800 16.011 1.00 0.00 H new ATOM 402 N PRO A 37 9.796 6.776 11.099 1.00 0.00 N ATOM 403 CA PRO A 37 9.161 6.237 9.863 1.00 0.00 C ATOM 404 C PRO A 37 7.747 6.767 9.650 1.00 0.00 C ATOM 405 O PRO A 37 7.115 7.276 10.576 1.00 0.00 O ATOM 406 CB PRO A 37 9.158 4.727 10.091 1.00 0.00 C ATOM 407 CG PRO A 37 9.095 4.570 11.569 1.00 0.00 C ATOM 408 CD PRO A 37 9.861 5.752 12.157 1.00 0.00 C ATOM 0 HA PRO A 37 9.700 6.537 8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.304 4.255 9.606 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.055 4.263 9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.062 4.565 11.916 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.540 3.625 11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.405 6.104 13.082 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.891 5.484 12.391 1.00 0.00 H new ATOM 416 N TYR A 38 7.259 6.642 8.424 1.00 0.00 N ATOM 417 CA TYR A 38 5.920 7.104 8.094 1.00 0.00 C ATOM 418 C TYR A 38 4.916 5.977 8.321 1.00 0.00 C ATOM 419 O TYR A 38 5.199 5.014 9.036 1.00 0.00 O ATOM 420 CB TYR A 38 5.871 7.553 6.628 1.00 0.00 C ATOM 421 CG TYR A 38 6.906 8.628 6.391 1.00 0.00 C ATOM 422 CD1 TYR A 38 6.507 9.958 6.208 1.00 0.00 C ATOM 423 CD2 TYR A 38 8.268 8.295 6.374 1.00 0.00 C ATOM 424 CE1 TYR A 38 7.475 10.956 6.011 1.00 0.00 C ATOM 425 CE2 TYR A 38 9.231 9.287 6.171 1.00 0.00 C ATOM 426 CZ TYR A 38 8.836 10.620 5.992 1.00 0.00 C ATOM 427 OH TYR A 38 9.787 11.603 5.801 1.00 0.00 O ATOM 0 H TYR A 38 7.769 6.226 7.645 1.00 0.00 H new ATOM 0 HA TYR A 38 5.665 7.948 8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.057 6.704 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.878 7.931 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.458 10.215 6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.574 7.269 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.171 11.983 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.279 9.027 6.152 1.00 0.00 H new ATOM 0 HH TYR A 38 10.173 11.858 6.665 1.00 0.00 H new ATOM 437 N SER A 39 3.752 6.101 7.705 1.00 0.00 N ATOM 438 CA SER A 39 2.711 5.086 7.834 1.00 0.00 C ATOM 439 C SER A 39 1.951 4.974 6.524 1.00 0.00 C ATOM 440 O SER A 39 1.564 5.990 5.961 1.00 0.00 O ATOM 441 CB SER A 39 1.746 5.467 8.953 1.00 0.00 C ATOM 442 OG SER A 39 1.372 6.829 8.802 1.00 0.00 O ATOM 0 H SER A 39 3.501 6.891 7.111 1.00 0.00 H new ATOM 0 HA SER A 39 3.172 4.128 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.863 4.829 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.216 5.312 9.924 1.00 0.00 H new ATOM 0 HG SER A 39 0.751 7.079 9.517 1.00 0.00 H new ATOM 448 N ASP A 40 1.754 3.748 6.036 1.00 0.00 N ATOM 449 CA ASP A 40 1.051 3.530 4.772 1.00 0.00 C ATOM 450 C ASP A 40 0.153 4.717 4.422 1.00 0.00 C ATOM 451 O ASP A 40 0.172 5.212 3.300 1.00 0.00 O ATOM 452 CB ASP A 40 0.213 2.257 4.863 1.00 0.00 C ATOM 453 CG ASP A 40 -0.710 2.336 6.072 1.00 0.00 C ATOM 454 OD1 ASP A 40 -1.516 1.437 6.238 1.00 0.00 O ATOM 455 OD2 ASP A 40 -0.593 3.294 6.819 1.00 0.00 O ATOM 0 H ASP A 40 2.070 2.894 6.495 1.00 0.00 H new ATOM 0 HA ASP A 40 1.796 3.426 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.374 2.130 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.864 1.387 4.946 1.00 0.00 H new ATOM 460 N GLN A 41 -0.622 5.182 5.386 1.00 0.00 N ATOM 461 CA GLN A 41 -1.506 6.312 5.149 1.00 0.00 C ATOM 462 C GLN A 41 -0.716 7.583 4.844 1.00 0.00 C ATOM 463 O GLN A 41 -0.988 8.275 3.860 1.00 0.00 O ATOM 464 CB GLN A 41 -2.389 6.523 6.378 1.00 0.00 C ATOM 465 CG GLN A 41 -3.145 7.840 6.239 1.00 0.00 C ATOM 466 CD GLN A 41 -3.884 7.866 4.909 1.00 0.00 C ATOM 467 OE1 GLN A 41 -4.852 7.131 4.720 1.00 0.00 O ATOM 468 NE2 GLN A 41 -3.463 8.655 3.960 1.00 0.00 N ATOM 0 H GLN A 41 -0.658 4.800 6.331 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.126 6.093 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.092 5.696 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.778 6.535 7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.851 7.954 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.450 8.678 6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.660 9.263 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.937 8.664 3.057 1.00 0.00 H new ATOM 477 N GLU A 42 0.253 7.892 5.693 1.00 0.00 N ATOM 478 CA GLU A 42 1.057 9.082 5.507 1.00 0.00 C ATOM 479 C GLU A 42 1.856 9.019 4.212 1.00 0.00 C ATOM 480 O GLU A 42 1.921 9.996 3.474 1.00 0.00 O ATOM 481 CB GLU A 42 2.015 9.227 6.685 1.00 0.00 C ATOM 482 CG GLU A 42 1.232 9.542 7.962 1.00 0.00 C ATOM 483 CD GLU A 42 0.608 10.930 7.867 1.00 0.00 C ATOM 484 OE1 GLU A 42 -0.190 11.259 8.729 1.00 0.00 O ATOM 485 OE2 GLU A 42 0.943 11.647 6.938 1.00 0.00 O ATOM 0 H GLU A 42 0.498 7.336 6.512 1.00 0.00 H new ATOM 0 HA GLU A 42 0.389 9.941 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.585 8.307 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.734 10.022 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.453 8.795 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.895 9.491 8.826 1.00 0.00 H new ATOM 492 N ILE A 43 2.453 7.866 3.946 1.00 0.00 N ATOM 493 CA ILE A 43 3.250 7.684 2.739 1.00 0.00 C ATOM 494 C ILE A 43 2.376 7.877 1.528 1.00 0.00 C ATOM 495 O ILE A 43 2.771 8.502 0.556 1.00 0.00 O ATOM 496 CB ILE A 43 3.868 6.283 2.689 1.00 0.00 C ATOM 497 CG1 ILE A 43 3.975 5.727 4.109 1.00 0.00 C ATOM 498 CG2 ILE A 43 5.261 6.369 2.063 1.00 0.00 C ATOM 499 CD1 ILE A 43 5.184 4.791 4.239 1.00 0.00 C ATOM 0 H ILE A 43 2.402 7.044 4.547 1.00 0.00 H new ATOM 0 HA ILE A 43 4.055 8.419 2.749 1.00 0.00 H new ATOM 0 HB ILE A 43 3.241 5.624 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.067 6.548 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.063 5.187 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.705 5.374 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.182 6.770 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.890 7.025 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.240 4.408 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.076 3.959 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.096 5.341 4.008 1.00 0.00 H new ATOM 511 N ALA A 44 1.178 7.345 1.609 1.00 0.00 N ATOM 512 CA ALA A 44 0.239 7.476 0.502 1.00 0.00 C ATOM 513 C ALA A 44 -0.132 8.942 0.314 1.00 0.00 C ATOM 514 O ALA A 44 -0.353 9.396 -0.808 1.00 0.00 O ATOM 515 CB ALA A 44 -1.025 6.643 0.752 1.00 0.00 C ATOM 0 H ALA A 44 0.828 6.824 2.413 1.00 0.00 H new ATOM 0 HA ALA A 44 0.718 7.103 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.709 6.758 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.754 5.593 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.512 6.985 1.665 1.00 0.00 H new ATOM 521 N ASN A 45 -0.208 9.674 1.423 1.00 0.00 N ATOM 522 CA ASN A 45 -0.569 11.095 1.362 1.00 0.00 C ATOM 523 C ASN A 45 0.509 11.936 0.684 1.00 0.00 C ATOM 524 O ASN A 45 0.226 12.699 -0.236 1.00 0.00 O ATOM 525 CB ASN A 45 -0.811 11.628 2.774 1.00 0.00 C ATOM 526 CG ASN A 45 -1.106 13.124 2.727 1.00 0.00 C ATOM 527 OD1 ASN A 45 -1.912 13.575 1.913 1.00 0.00 O ATOM 528 ND2 ASN A 45 -0.494 13.925 3.557 1.00 0.00 N ATOM 0 H ASN A 45 -0.028 9.318 2.362 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.478 11.174 0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.647 11.099 3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.064 11.442 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.683 14.927 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.173 13.549 4.230 1.00 0.00 H new ATOM 535 N ILE A 46 1.738 11.796 1.148 1.00 0.00 N ATOM 536 CA ILE A 46 2.854 12.549 0.587 1.00 0.00 C ATOM 537 C ILE A 46 3.087 12.153 -0.866 1.00 0.00 C ATOM 538 O ILE A 46 3.385 12.992 -1.710 1.00 0.00 O ATOM 539 CB ILE A 46 4.112 12.283 1.405 1.00 0.00 C ATOM 540 CG1 ILE A 46 3.832 12.581 2.879 1.00 0.00 C ATOM 541 CG2 ILE A 46 5.241 13.190 0.920 1.00 0.00 C ATOM 542 CD1 ILE A 46 4.431 11.472 3.732 1.00 0.00 C ATOM 0 H ILE A 46 1.992 11.169 1.911 1.00 0.00 H new ATOM 0 HA ILE A 46 2.616 13.612 0.623 1.00 0.00 H new ATOM 0 HB ILE A 46 4.404 11.239 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.262 13.543 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.758 12.650 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.139 12.998 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.444 12.988 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.946 14.233 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.236 11.677 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.980 10.518 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.507 11.425 3.565 1.00 0.00 H new ATOM 554 N LEU A 47 2.957 10.865 -1.139 1.00 0.00 N ATOM 555 CA LEU A 47 3.157 10.334 -2.482 1.00 0.00 C ATOM 556 C LEU A 47 2.146 10.923 -3.451 1.00 0.00 C ATOM 557 O LEU A 47 2.431 11.098 -4.634 1.00 0.00 O ATOM 558 CB LEU A 47 3.038 8.808 -2.455 1.00 0.00 C ATOM 559 CG LEU A 47 4.420 8.161 -2.258 1.00 0.00 C ATOM 560 CD1 LEU A 47 5.235 8.908 -1.196 1.00 0.00 C ATOM 561 CD2 LEU A 47 4.238 6.706 -1.825 1.00 0.00 C ATOM 0 H LEU A 47 2.712 10.161 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 47 4.154 10.611 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.370 8.504 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.595 8.456 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 47 4.961 8.210 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.207 8.428 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.377 9.943 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.702 8.885 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.215 6.243 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.682 6.672 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.687 6.164 -2.594 1.00 0.00 H new ATOM 573 N LYS A 48 0.970 11.237 -2.948 1.00 0.00 N ATOM 574 CA LYS A 48 -0.063 11.813 -3.794 1.00 0.00 C ATOM 575 C LYS A 48 0.239 13.281 -4.075 1.00 0.00 C ATOM 576 O LYS A 48 -0.389 13.899 -4.936 1.00 0.00 O ATOM 577 CB LYS A 48 -1.422 11.669 -3.107 1.00 0.00 C ATOM 578 CG LYS A 48 -1.871 13.016 -2.540 1.00 0.00 C ATOM 579 CD LYS A 48 -3.106 12.804 -1.673 1.00 0.00 C ATOM 580 CE LYS A 48 -3.562 14.149 -1.110 1.00 0.00 C ATOM 581 NZ LYS A 48 -4.767 13.955 -0.258 1.00 0.00 N ATOM 0 H LYS A 48 0.705 11.107 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.085 11.282 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.161 11.301 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.357 10.932 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.070 13.462 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.095 13.710 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.905 12.353 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.880 12.114 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.760 14.600 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.788 14.837 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.074 14.873 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.533 13.543 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.537 13.313 0.528 1.00 0.00 H new ATOM 595 N GLU A 49 1.198 13.838 -3.340 1.00 0.00 N ATOM 596 CA GLU A 49 1.561 15.238 -3.519 1.00 0.00 C ATOM 597 C GLU A 49 2.625 15.393 -4.603 1.00 0.00 C ATOM 598 O GLU A 49 2.837 16.488 -5.125 1.00 0.00 O ATOM 599 CB GLU A 49 2.087 15.816 -2.203 1.00 0.00 C ATOM 600 CG GLU A 49 0.953 15.863 -1.177 1.00 0.00 C ATOM 601 CD GLU A 49 1.481 16.373 0.160 1.00 0.00 C ATOM 602 OE1 GLU A 49 2.667 16.647 0.240 1.00 0.00 O ATOM 603 OE2 GLU A 49 0.692 16.483 1.083 1.00 0.00 O ATOM 0 H GLU A 49 1.732 13.347 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 49 0.668 15.781 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.907 15.204 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.485 16.817 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.155 16.514 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.523 14.869 -1.052 1.00 0.00 H new ATOM 610 N LYS A 50 3.311 14.300 -4.918 1.00 0.00 N ATOM 611 CA LYS A 50 4.367 14.334 -5.919 1.00 0.00 C ATOM 612 C LYS A 50 3.794 14.038 -7.291 1.00 0.00 C ATOM 613 O LYS A 50 3.733 14.907 -8.160 1.00 0.00 O ATOM 614 CB LYS A 50 5.403 13.261 -5.589 1.00 0.00 C ATOM 615 CG LYS A 50 5.585 13.167 -4.074 1.00 0.00 C ATOM 616 CD LYS A 50 6.369 14.368 -3.545 1.00 0.00 C ATOM 617 CE LYS A 50 6.174 14.460 -2.031 1.00 0.00 C ATOM 618 NZ LYS A 50 7.228 15.333 -1.442 1.00 0.00 N ATOM 0 H LYS A 50 3.155 13.384 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 50 4.824 15.324 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.082 12.298 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.354 13.502 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.610 13.121 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.110 12.245 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.427 14.261 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.025 15.284 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.187 14.863 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.222 13.466 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.093 15.394 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.165 14.931 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.162 16.285 -1.857 1.00 0.00 H new ATOM 632 N GLY A 51 3.380 12.793 -7.477 1.00 0.00 N ATOM 633 CA GLY A 51 2.817 12.381 -8.759 1.00 0.00 C ATOM 634 C GLY A 51 2.529 10.887 -8.791 1.00 0.00 C ATOM 635 O GLY A 51 2.516 10.272 -9.858 1.00 0.00 O ATOM 0 H GLY A 51 3.421 12.059 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.896 12.934 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.511 12.635 -9.560 1.00 0.00 H new ATOM 639 N PHE A 52 2.292 10.303 -7.623 1.00 0.00 N ATOM 640 CA PHE A 52 2.003 8.880 -7.554 1.00 0.00 C ATOM 641 C PHE A 52 0.516 8.659 -7.313 1.00 0.00 C ATOM 642 O PHE A 52 0.017 7.543 -7.459 1.00 0.00 O ATOM 643 CB PHE A 52 2.790 8.252 -6.414 1.00 0.00 C ATOM 644 CG PHE A 52 4.263 8.525 -6.595 1.00 0.00 C ATOM 645 CD1 PHE A 52 4.980 7.840 -7.581 1.00 0.00 C ATOM 646 CD2 PHE A 52 4.913 9.460 -5.777 1.00 0.00 C ATOM 647 CE1 PHE A 52 6.343 8.087 -7.754 1.00 0.00 C ATOM 648 CE2 PHE A 52 6.280 9.707 -5.951 1.00 0.00 C ATOM 649 CZ PHE A 52 6.995 9.022 -6.940 1.00 0.00 C ATOM 0 H PHE A 52 2.294 10.786 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 52 2.289 8.418 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.451 8.656 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.611 7.177 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.479 7.119 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.360 9.989 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.895 7.557 -8.516 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.783 10.426 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.049 9.214 -7.076 1.00 0.00 H new ATOM 659 N LYS A 53 -0.174 9.737 -6.940 1.00 0.00 N ATOM 660 CA LYS A 53 -1.606 9.681 -6.672 1.00 0.00 C ATOM 661 C LYS A 53 -2.013 8.291 -6.199 1.00 0.00 C ATOM 662 O LYS A 53 -3.080 7.789 -6.555 1.00 0.00 O ATOM 663 CB LYS A 53 -2.391 10.051 -7.928 1.00 0.00 C ATOM 664 CG LYS A 53 -1.706 9.445 -9.154 1.00 0.00 C ATOM 665 CD LYS A 53 -2.647 9.517 -10.356 1.00 0.00 C ATOM 666 CE LYS A 53 -3.549 8.280 -10.365 1.00 0.00 C ATOM 667 NZ LYS A 53 -4.709 8.519 -11.270 1.00 0.00 N ATOM 0 H LYS A 53 0.240 10.661 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.834 10.397 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.415 9.684 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.448 11.135 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.783 9.982 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.433 8.409 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.252 10.422 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.072 9.569 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.986 7.409 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.900 8.065 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.323 7.679 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.250 9.340 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.365 8.704 -12.234 1.00 0.00 H new ATOM 681 N VAL A 54 -1.151 7.669 -5.399 1.00 0.00 N ATOM 682 CA VAL A 54 -1.435 6.333 -4.895 1.00 0.00 C ATOM 683 C VAL A 54 -2.219 6.406 -3.587 1.00 0.00 C ATOM 684 O VAL A 54 -2.169 7.408 -2.874 1.00 0.00 O ATOM 685 CB VAL A 54 -0.131 5.562 -4.692 1.00 0.00 C ATOM 686 CG1 VAL A 54 0.844 6.395 -3.860 1.00 0.00 C ATOM 687 CG2 VAL A 54 -0.434 4.247 -3.974 1.00 0.00 C ATOM 0 H VAL A 54 -0.263 8.064 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.045 5.807 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 54 0.324 5.354 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.771 5.838 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.057 7.330 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.400 6.611 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.492 3.692 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.890 4.457 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.121 3.653 -4.577 1.00 0.00 H new ATOM 697 N ALA A 55 -2.953 5.338 -3.288 1.00 0.00 N ATOM 698 CA ALA A 55 -3.763 5.279 -2.079 1.00 0.00 C ATOM 699 C ALA A 55 -3.132 4.342 -1.050 1.00 0.00 C ATOM 700 O ALA A 55 -2.266 3.519 -1.376 1.00 0.00 O ATOM 701 CB ALA A 55 -5.174 4.793 -2.415 1.00 0.00 C ATOM 0 H ALA A 55 -3.002 4.501 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.816 6.282 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.771 4.752 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.637 5.481 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.120 3.799 -2.858 1.00 0.00 H new ATOM 707 N ARG A 56 -3.573 4.475 0.195 1.00 0.00 N ATOM 708 CA ARG A 56 -3.057 3.646 1.273 1.00 0.00 C ATOM 709 C ARG A 56 -3.346 2.173 0.990 1.00 0.00 C ATOM 710 O ARG A 56 -2.667 1.280 1.490 1.00 0.00 O ATOM 711 CB ARG A 56 -3.709 4.054 2.597 1.00 0.00 C ATOM 712 CG ARG A 56 -3.134 3.215 3.742 1.00 0.00 C ATOM 713 CD ARG A 56 -4.270 2.505 4.482 1.00 0.00 C ATOM 714 NE ARG A 56 -3.730 1.538 5.431 1.00 0.00 N ATOM 715 CZ ARG A 56 -4.353 0.383 5.666 1.00 0.00 C ATOM 716 NH1 ARG A 56 -5.482 0.112 5.073 1.00 0.00 N ATOM 717 NH2 ARG A 56 -3.836 -0.480 6.497 1.00 0.00 N ATOM 0 H ARG A 56 -4.285 5.147 0.481 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.979 3.788 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.534 5.113 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.788 3.915 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.428 2.482 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.581 3.853 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.884 3.237 5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.919 1.999 3.767 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.862 1.749 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.893 0.785 4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.955 -0.773 5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.955 -0.271 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.313 -1.364 6.677 1.00 0.00 H new ATOM 731 N ARG A 57 -4.362 1.932 0.182 1.00 0.00 N ATOM 732 CA ARG A 57 -4.756 0.580 -0.174 1.00 0.00 C ATOM 733 C ARG A 57 -3.665 -0.132 -0.955 1.00 0.00 C ATOM 734 O ARG A 57 -3.433 -1.324 -0.762 1.00 0.00 O ATOM 735 CB ARG A 57 -6.026 0.650 -1.012 1.00 0.00 C ATOM 736 CG ARG A 57 -7.219 0.941 -0.101 1.00 0.00 C ATOM 737 CD ARG A 57 -8.320 1.627 -0.907 1.00 0.00 C ATOM 738 NE ARG A 57 -7.951 3.017 -1.149 1.00 0.00 N ATOM 739 CZ ARG A 57 -8.165 3.950 -0.228 1.00 0.00 C ATOM 740 NH1 ARG A 57 -8.728 3.628 0.905 1.00 0.00 N ATOM 741 NH2 ARG A 57 -7.810 5.186 -0.452 1.00 0.00 N ATOM 0 H ARG A 57 -4.934 2.661 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.930 0.013 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.933 1.429 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.179 -0.291 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.594 0.014 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.910 1.578 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.469 1.109 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.265 1.579 -0.366 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.523 3.276 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.003 2.662 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.893 4.343 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.367 5.437 -1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.975 5.901 0.257 1.00 0.00 H new ATOM 755 N THR A 58 -3.010 0.589 -1.853 1.00 0.00 N ATOM 756 CA THR A 58 -1.974 -0.002 -2.657 1.00 0.00 C ATOM 757 C THR A 58 -0.646 0.033 -1.940 1.00 0.00 C ATOM 758 O THR A 58 0.125 -0.926 -1.975 1.00 0.00 O ATOM 759 CB THR A 58 -1.839 0.772 -3.957 1.00 0.00 C ATOM 760 OG1 THR A 58 -3.123 1.186 -4.390 1.00 0.00 O ATOM 761 CG2 THR A 58 -1.192 -0.111 -5.017 1.00 0.00 C ATOM 0 H THR A 58 -3.183 1.578 -2.036 1.00 0.00 H new ATOM 0 HA THR A 58 -2.247 -1.039 -2.853 1.00 0.00 H new ATOM 0 HB THR A 58 -1.211 1.649 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.040 1.687 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.097 0.448 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.204 -0.422 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.812 -0.992 -5.184 1.00 0.00 H new ATOM 769 N VAL A 59 -0.370 1.167 -1.321 1.00 0.00 N ATOM 770 CA VAL A 59 0.888 1.341 -0.633 1.00 0.00 C ATOM 771 C VAL A 59 1.014 0.340 0.516 1.00 0.00 C ATOM 772 O VAL A 59 2.106 -0.127 0.835 1.00 0.00 O ATOM 773 CB VAL A 59 1.004 2.770 -0.107 1.00 0.00 C ATOM 774 CG1 VAL A 59 0.477 2.841 1.320 1.00 0.00 C ATOM 775 CG2 VAL A 59 2.471 3.208 -0.118 1.00 0.00 C ATOM 0 H VAL A 59 -0.996 1.972 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 59 1.699 1.158 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 59 0.418 3.429 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.563 3.863 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.569 2.536 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.060 2.175 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.549 4.228 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.054 2.542 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.855 3.167 -1.137 1.00 0.00 H new ATOM 785 N ALA A 60 -0.120 0.024 1.131 1.00 0.00 N ATOM 786 CA ALA A 60 -0.163 -0.912 2.243 1.00 0.00 C ATOM 787 C ALA A 60 0.143 -2.328 1.760 1.00 0.00 C ATOM 788 O ALA A 60 0.742 -3.132 2.475 1.00 0.00 O ATOM 789 CB ALA A 60 -1.541 -0.866 2.906 1.00 0.00 C ATOM 0 H ALA A 60 -1.029 0.408 0.873 1.00 0.00 H new ATOM 0 HA ALA A 60 0.594 -0.626 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.568 -1.569 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.734 0.141 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.305 -1.137 2.177 1.00 0.00 H new ATOM 795 N LYS A 61 -0.293 -2.623 0.543 1.00 0.00 N ATOM 796 CA LYS A 61 -0.085 -3.937 -0.048 1.00 0.00 C ATOM 797 C LYS A 61 1.323 -4.062 -0.634 1.00 0.00 C ATOM 798 O LYS A 61 1.825 -5.168 -0.841 1.00 0.00 O ATOM 799 CB LYS A 61 -1.123 -4.157 -1.145 1.00 0.00 C ATOM 800 CG LYS A 61 -2.511 -4.280 -0.517 1.00 0.00 C ATOM 801 CD LYS A 61 -3.539 -4.558 -1.612 1.00 0.00 C ATOM 802 CE LYS A 61 -4.938 -4.594 -0.998 1.00 0.00 C ATOM 803 NZ LYS A 61 -5.936 -4.937 -2.050 1.00 0.00 N ATOM 0 H LYS A 61 -0.795 -1.967 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.194 -4.693 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.104 -3.326 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.886 -5.059 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.520 -5.084 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.766 -3.362 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.487 -3.786 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.319 -5.508 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.975 -5.329 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.178 -3.627 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.888 -4.961 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.907 -4.220 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.711 -5.870 -2.451 1.00 0.00 H new ATOM 817 N TYR A 62 1.949 -2.923 -0.905 1.00 0.00 N ATOM 818 CA TYR A 62 3.295 -2.908 -1.472 1.00 0.00 C ATOM 819 C TYR A 62 4.357 -3.014 -0.376 1.00 0.00 C ATOM 820 O TYR A 62 5.363 -3.698 -0.541 1.00 0.00 O ATOM 821 CB TYR A 62 3.497 -1.619 -2.262 1.00 0.00 C ATOM 822 CG TYR A 62 3.008 -1.799 -3.681 1.00 0.00 C ATOM 823 CD1 TYR A 62 3.651 -1.118 -4.717 1.00 0.00 C ATOM 824 CD2 TYR A 62 1.929 -2.650 -3.965 1.00 0.00 C ATOM 825 CE1 TYR A 62 3.222 -1.281 -6.038 1.00 0.00 C ATOM 826 CE2 TYR A 62 1.497 -2.811 -5.287 1.00 0.00 C ATOM 827 CZ TYR A 62 2.144 -2.128 -6.324 1.00 0.00 C ATOM 828 OH TYR A 62 1.722 -2.290 -7.628 1.00 0.00 O ATOM 0 H TYR A 62 1.549 -1.999 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 62 3.402 -3.769 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.957 -0.802 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.552 -1.346 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.482 -0.464 -4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.433 -3.180 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.722 -0.754 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.664 -3.462 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 62 0.965 -2.912 -7.652 1.00 0.00 H new ATOM 838 N ARG A 63 4.129 -2.337 0.741 1.00 0.00 N ATOM 839 CA ARG A 63 5.080 -2.373 1.847 1.00 0.00 C ATOM 840 C ARG A 63 5.266 -3.802 2.338 1.00 0.00 C ATOM 841 O ARG A 63 6.284 -4.136 2.941 1.00 0.00 O ATOM 842 CB ARG A 63 4.576 -1.510 3.002 1.00 0.00 C ATOM 843 CG ARG A 63 3.166 -1.957 3.373 1.00 0.00 C ATOM 844 CD ARG A 63 2.719 -1.237 4.645 1.00 0.00 C ATOM 845 NE ARG A 63 2.895 0.206 4.496 1.00 0.00 N ATOM 846 CZ ARG A 63 3.781 0.889 5.228 1.00 0.00 C ATOM 847 NH1 ARG A 63 4.554 0.282 6.089 1.00 0.00 N ATOM 848 NH2 ARG A 63 3.889 2.178 5.071 1.00 0.00 N ATOM 0 H ARG A 63 3.303 -1.761 0.906 1.00 0.00 H new ATOM 0 HA ARG A 63 6.035 -1.986 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.240 -1.605 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.575 -0.459 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.477 -1.737 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.144 -3.036 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.673 -1.464 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.297 -1.595 5.497 1.00 0.00 H new ATOM 0 HE ARG A 63 2.325 0.707 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.487 -0.728 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.225 0.819 6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.299 2.660 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.563 2.705 5.627 1.00 0.00 H new ATOM 862 N GLU A 64 4.272 -4.641 2.074 1.00 0.00 N ATOM 863 CA GLU A 64 4.334 -6.037 2.493 1.00 0.00 C ATOM 864 C GLU A 64 4.873 -6.917 1.369 1.00 0.00 C ATOM 865 O GLU A 64 5.367 -8.017 1.614 1.00 0.00 O ATOM 866 CB GLU A 64 2.946 -6.527 2.916 1.00 0.00 C ATOM 867 CG GLU A 64 1.981 -6.415 1.736 1.00 0.00 C ATOM 868 CD GLU A 64 0.591 -6.894 2.145 1.00 0.00 C ATOM 869 OE1 GLU A 64 -0.017 -7.615 1.370 1.00 0.00 O ATOM 870 OE2 GLU A 64 0.154 -6.530 3.224 1.00 0.00 O ATOM 0 H GLU A 64 3.420 -4.383 1.576 1.00 0.00 H new ATOM 0 HA GLU A 64 5.012 -6.106 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.002 -7.561 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.580 -5.935 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.931 -5.381 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.347 -7.010 0.899 1.00 0.00 H new ATOM 877 N MET A 65 4.782 -6.425 0.137 1.00 0.00 N ATOM 878 CA MET A 65 5.269 -7.171 -1.013 1.00 0.00 C ATOM 879 C MET A 65 6.773 -6.977 -1.174 1.00 0.00 C ATOM 880 O MET A 65 7.490 -7.892 -1.578 1.00 0.00 O ATOM 881 CB MET A 65 4.515 -6.717 -2.269 1.00 0.00 C ATOM 882 CG MET A 65 5.347 -5.708 -3.062 1.00 0.00 C ATOM 883 SD MET A 65 4.351 -5.048 -4.420 1.00 0.00 S ATOM 884 CE MET A 65 4.340 -6.543 -5.441 1.00 0.00 C ATOM 0 H MET A 65 4.377 -5.516 -0.088 1.00 0.00 H new ATOM 0 HA MET A 65 5.087 -8.235 -0.861 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.287 -7.580 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.563 -6.268 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.676 -4.899 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.244 -6.187 -3.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.201 -6.268 -6.487 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.288 -7.069 -5.327 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.524 -7.193 -5.125 1.00 0.00 H new ATOM 894 N LEU A 66 7.238 -5.776 -0.853 1.00 0.00 N ATOM 895 CA LEU A 66 8.655 -5.452 -0.956 1.00 0.00 C ATOM 896 C LEU A 66 9.443 -6.138 0.149 1.00 0.00 C ATOM 897 O LEU A 66 10.159 -7.112 -0.091 1.00 0.00 O ATOM 898 CB LEU A 66 8.841 -3.933 -0.848 1.00 0.00 C ATOM 899 CG LEU A 66 8.627 -3.277 -2.235 1.00 0.00 C ATOM 900 CD1 LEU A 66 7.605 -2.122 -2.150 1.00 0.00 C ATOM 901 CD2 LEU A 66 9.966 -2.728 -2.765 1.00 0.00 C ATOM 0 H LEU A 66 6.654 -5.010 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 66 9.025 -5.804 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.134 -3.521 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.841 -3.705 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 66 8.241 -4.038 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.474 -1.679 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.649 -2.507 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.970 -1.363 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.810 -2.268 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.354 -1.983 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.682 -3.544 -2.859 1.00 0.00 H new ATOM 913 N GLY A 67 9.310 -5.622 1.360 1.00 0.00 N ATOM 914 CA GLY A 67 10.018 -6.195 2.497 1.00 0.00 C ATOM 915 C GLY A 67 9.929 -5.280 3.709 1.00 0.00 C ATOM 916 O GLY A 67 10.882 -5.165 4.482 1.00 0.00 O ATOM 0 H GLY A 67 8.725 -4.816 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.595 -7.170 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.063 -6.358 2.235 1.00 0.00 H new ATOM 920 N ILE A 68 8.785 -4.624 3.870 1.00 0.00 N ATOM 921 CA ILE A 68 8.598 -3.720 4.993 1.00 0.00 C ATOM 922 C ILE A 68 7.342 -4.092 5.795 1.00 0.00 C ATOM 923 O ILE A 68 6.221 -3.857 5.341 1.00 0.00 O ATOM 924 CB ILE A 68 8.466 -2.286 4.490 1.00 0.00 C ATOM 925 CG1 ILE A 68 9.803 -1.801 3.931 1.00 0.00 C ATOM 926 CG2 ILE A 68 8.075 -1.393 5.649 1.00 0.00 C ATOM 927 CD1 ILE A 68 9.843 -2.101 2.445 1.00 0.00 C ATOM 0 H ILE A 68 7.983 -4.701 3.244 1.00 0.00 H new ATOM 0 HA ILE A 68 9.468 -3.805 5.644 1.00 0.00 H new ATOM 0 HB ILE A 68 7.710 -2.250 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 68 9.920 -0.731 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.629 -2.298 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.978 -0.365 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.123 -1.728 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.842 -1.443 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.792 -1.761 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.743 -3.175 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.023 -1.583 1.947 1.00 0.00 H new ATOM 939 N PRO A 69 7.506 -4.662 6.972 1.00 0.00 N ATOM 940 CA PRO A 69 6.352 -5.062 7.840 1.00 0.00 C ATOM 941 C PRO A 69 5.384 -3.905 8.061 1.00 0.00 C ATOM 942 O PRO A 69 4.171 -4.058 7.917 1.00 0.00 O ATOM 943 CB PRO A 69 7.015 -5.450 9.163 1.00 0.00 C ATOM 944 CG PRO A 69 8.413 -5.827 8.811 1.00 0.00 C ATOM 945 CD PRO A 69 8.796 -4.986 7.597 1.00 0.00 C ATOM 0 HA PRO A 69 5.762 -5.863 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.998 -4.620 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.491 -6.281 9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.088 -5.635 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.482 -6.891 8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.336 -4.085 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.443 -5.539 6.916 1.00 0.00 H new ATOM 953 N SER A 70 5.939 -2.748 8.401 1.00 0.00 N ATOM 954 CA SER A 70 5.125 -1.553 8.628 1.00 0.00 C ATOM 955 C SER A 70 5.984 -0.304 8.767 1.00 0.00 C ATOM 956 O SER A 70 5.520 0.728 9.251 1.00 0.00 O ATOM 957 CB SER A 70 4.288 -1.710 9.885 1.00 0.00 C ATOM 958 OG SER A 70 5.127 -1.592 11.028 1.00 0.00 O ATOM 0 H SER A 70 6.942 -2.609 8.526 1.00 0.00 H new ATOM 0 HA SER A 70 4.477 -1.440 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.507 -0.950 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.789 -2.679 9.885 1.00 0.00 H new ATOM 0 HG SER A 70 4.588 -1.691 11.841 1.00 0.00 H new ATOM 964 N SER A 71 7.232 -0.409 8.351 1.00 0.00 N ATOM 965 CA SER A 71 8.170 0.707 8.430 1.00 0.00 C ATOM 966 C SER A 71 8.368 1.161 9.873 1.00 0.00 C ATOM 967 O SER A 71 9.253 1.968 10.162 1.00 0.00 O ATOM 968 CB SER A 71 7.665 1.882 7.586 1.00 0.00 C ATOM 969 OG SER A 71 8.551 2.982 7.738 1.00 0.00 O ATOM 0 H SER A 71 7.627 -1.260 7.951 1.00 0.00 H new ATOM 0 HA SER A 71 9.129 0.365 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.603 1.592 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.659 2.164 7.898 1.00 0.00 H new ATOM 0 HG SER A 71 8.154 3.780 7.332 1.00 0.00 H new ATOM 975 N ARG A 72 7.552 0.636 10.775 1.00 0.00 N ATOM 976 CA ARG A 72 7.654 0.984 12.180 1.00 0.00 C ATOM 977 C ARG A 72 8.648 0.064 12.881 1.00 0.00 C ATOM 978 O ARG A 72 9.381 0.485 13.776 1.00 0.00 O ATOM 979 CB ARG A 72 6.281 0.861 12.840 1.00 0.00 C ATOM 980 CG ARG A 72 6.369 1.318 14.296 1.00 0.00 C ATOM 981 CD ARG A 72 4.996 1.189 14.957 1.00 0.00 C ATOM 982 NE ARG A 72 5.033 1.769 16.294 1.00 0.00 N ATOM 983 CZ ARG A 72 4.080 1.510 17.182 1.00 0.00 C ATOM 984 NH1 ARG A 72 3.092 0.720 16.866 1.00 0.00 N ATOM 985 NH2 ARG A 72 4.135 2.046 18.371 1.00 0.00 N ATOM 0 H ARG A 72 6.813 -0.032 10.557 1.00 0.00 H new ATOM 0 HA ARG A 72 8.007 2.012 12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.552 1.467 12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.935 -0.171 12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.101 0.715 14.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.711 2.352 14.343 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.243 1.694 14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.707 0.139 15.014 1.00 0.00 H new ATOM 0 HE ARG A 72 5.804 2.385 16.552 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.051 0.301 15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.360 0.521 17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.909 2.663 18.617 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.404 1.848 19.054 1.00 0.00 H new ATOM 999 N GLU A 73 8.649 -1.203 12.476 1.00 0.00 N ATOM 1000 CA GLU A 73 9.539 -2.191 13.086 1.00 0.00 C ATOM 1001 C GLU A 73 10.981 -1.962 12.668 1.00 0.00 C ATOM 1002 O GLU A 73 11.908 -2.160 13.453 1.00 0.00 O ATOM 1003 CB GLU A 73 9.126 -3.604 12.690 1.00 0.00 C ATOM 1004 CG GLU A 73 7.606 -3.686 12.669 1.00 0.00 C ATOM 1005 CD GLU A 73 7.161 -5.106 12.345 1.00 0.00 C ATOM 1006 OE1 GLU A 73 8.018 -5.971 12.267 1.00 0.00 O ATOM 1007 OE2 GLU A 73 5.970 -5.309 12.180 1.00 0.00 O ATOM 0 H GLU A 73 8.051 -1.569 11.736 1.00 0.00 H new ATOM 0 HA GLU A 73 9.459 -2.077 14.167 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.531 -3.854 11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.533 -4.328 13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.205 -3.383 13.636 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.207 -2.994 11.927 1.00 0.00 H new ATOM 1014 N ARG A 74 11.163 -1.563 11.421 1.00 0.00 N ATOM 1015 CA ARG A 74 12.500 -1.331 10.899 1.00 0.00 C ATOM 1016 C ARG A 74 13.199 -0.234 11.690 1.00 0.00 C ATOM 1017 O ARG A 74 14.408 -0.297 11.916 1.00 0.00 O ATOM 1018 CB ARG A 74 12.429 -0.933 9.423 1.00 0.00 C ATOM 1019 CG ARG A 74 11.996 -2.136 8.582 1.00 0.00 C ATOM 1020 CD ARG A 74 11.868 -1.706 7.121 1.00 0.00 C ATOM 1021 NE ARG A 74 13.173 -1.328 6.591 1.00 0.00 N ATOM 1022 CZ ARG A 74 13.286 -0.711 5.419 1.00 0.00 C ATOM 1023 NH1 ARG A 74 12.216 -0.398 4.742 1.00 0.00 N ATOM 1024 NH2 ARG A 74 14.467 -0.409 4.951 1.00 0.00 N ATOM 0 H ARG A 74 10.409 -1.394 10.755 1.00 0.00 H new ATOM 0 HA ARG A 74 13.070 -2.255 10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.723 -0.113 9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.402 -0.574 9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.725 -2.941 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.044 -2.525 8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.449 -2.521 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.178 -0.866 7.041 1.00 0.00 H new ATOM 0 HE ARG A 74 14.013 -1.541 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.293 -0.627 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.302 0.075 3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.303 -0.647 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.553 0.064 4.052 1.00 0.00 H new