USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 68 SER OG : rot -150:sc= -0.647 USER MOD Set 1.2: A 71 GLN : amide:sc=-0.00791 X(o=-0.65,f=-0.65) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-2.9) USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0.00409 USER MOD Single : A 4 GLN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 15 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.093 (180deg=-0.426) USER MOD Single : A 21 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 30 THR OG1 : rot 82:sc= 0.825 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.0342 X(o=0.034,f=0) USER MOD Single : A 67 MET CE :methyl -166:sc= -3.88 (180deg=-4.66) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 140:sc= -0.072 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -29:sc= 0.0732 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1) USER MOD Single : A 95 ASN : amide:sc= -2.04 K(o=-2,f=-2.6!) USER MOD Single : A 97 THR OG1 : rot -1:sc= 1.27 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 0.952 -0.117 -2.894 1.00 0.00 N ATOM 19 CA GLY A 2 0.452 -0.892 -4.015 1.00 0.00 C ATOM 20 C GLY A 2 -1.061 -0.867 -4.107 1.00 0.00 C ATOM 21 O GLY A 2 -1.632 -1.179 -5.152 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.876 -0.502 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.790 -1.924 -3.919 1.00 0.00 H new ATOM 25 N VAL A 3 -1.713 -0.496 -3.009 1.00 0.00 N ATOM 26 CA VAL A 3 -3.169 -0.432 -2.970 1.00 0.00 C ATOM 27 C VAL A 3 -3.646 0.657 -2.015 1.00 0.00 C ATOM 28 O VAL A 3 -3.278 0.671 -0.841 1.00 0.00 O ATOM 29 CB VAL A 3 -3.779 -1.779 -2.540 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.223 -2.211 -1.192 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.297 -1.687 -2.494 1.00 0.00 C ATOM 0 H VAL A 3 -1.256 -0.235 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.502 -0.197 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.506 -2.533 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.666 -3.165 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.141 -2.320 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.464 -1.458 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.711 -2.648 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.594 -0.920 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.676 -1.427 -3.482 1.00 0.00 H new ATOM 41 N GLN A 4 -4.468 1.567 -2.528 1.00 0.00 N ATOM 42 CA GLN A 4 -4.995 2.661 -1.720 1.00 0.00 C ATOM 43 C GLN A 4 -6.515 2.580 -1.620 1.00 0.00 C ATOM 44 O GLN A 4 -7.186 2.139 -2.553 1.00 0.00 O ATOM 45 CB GLN A 4 -4.581 4.008 -2.315 1.00 0.00 C ATOM 46 CG GLN A 4 -3.952 4.952 -1.303 1.00 0.00 C ATOM 47 CD GLN A 4 -2.458 4.740 -1.158 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.656 5.546 -1.633 1.00 0.00 O ATOM 49 NE2 GLN A 4 -2.074 3.653 -0.500 1.00 0.00 N ATOM 0 H GLN A 4 -4.783 1.569 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.578 2.572 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.874 3.836 -3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.457 4.488 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.141 5.982 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.431 4.811 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.772 3.012 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.081 3.459 -0.371 1.00 0.00 H new ATOM 58 N VAL A 5 -7.052 3.010 -0.483 1.00 0.00 N ATOM 59 CA VAL A 5 -8.493 2.988 -0.262 1.00 0.00 C ATOM 60 C VAL A 5 -9.028 4.388 0.019 1.00 0.00 C ATOM 61 O VAL A 5 -8.770 4.962 1.077 1.00 0.00 O ATOM 62 CB VAL A 5 -8.867 2.063 0.911 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.377 1.913 1.014 1.00 0.00 C ATOM 64 CG2 VAL A 5 -8.198 0.705 0.753 1.00 0.00 C ATOM 0 H VAL A 5 -6.511 3.378 0.299 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.947 2.605 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.507 2.515 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.621 1.256 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.829 2.891 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.764 1.484 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.473 0.064 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.525 0.244 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.116 0.833 0.734 1.00 0.00 H new ATOM 74 N VAL A 6 -9.775 4.932 -0.936 1.00 0.00 N ATOM 75 CA VAL A 6 -10.349 6.265 -0.791 1.00 0.00 C ATOM 76 C VAL A 6 -11.755 6.198 -0.205 1.00 0.00 C ATOM 77 O VAL A 6 -12.729 5.973 -0.924 1.00 0.00 O ATOM 78 CB VAL A 6 -10.402 7.003 -2.142 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.873 8.437 -1.949 1.00 0.00 C ATOM 80 CG2 VAL A 6 -9.041 6.967 -2.821 1.00 0.00 C ATOM 0 H VAL A 6 -9.997 4.471 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.701 6.816 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.119 6.494 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.904 8.943 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.869 8.436 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.183 8.961 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.096 7.493 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.303 7.451 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.748 5.931 -2.994 1.00 0.00 H new ATOM 90 N THR A 7 -11.854 6.395 1.106 1.00 0.00 N ATOM 91 CA THR A 7 -13.141 6.357 1.789 1.00 0.00 C ATOM 92 C THR A 7 -14.157 7.259 1.098 1.00 0.00 C ATOM 93 O THR A 7 -13.924 8.456 0.926 1.00 0.00 O ATOM 94 CB THR A 7 -13.008 6.786 3.262 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.815 6.231 3.828 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.216 6.334 4.069 1.00 0.00 C ATOM 0 H THR A 7 -11.058 6.582 1.716 1.00 0.00 H new ATOM 0 HA THR A 7 -13.490 5.325 1.749 1.00 0.00 H new ATOM 0 HB THR A 7 -12.954 7.874 3.297 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.737 6.510 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.099 6.648 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.119 6.781 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.296 5.248 4.026 1.00 0.00 H new ATOM 104 N LEU A 8 -15.286 6.678 0.705 1.00 0.00 N ATOM 105 CA LEU A 8 -16.340 7.431 0.034 1.00 0.00 C ATOM 106 C LEU A 8 -17.528 7.652 0.964 1.00 0.00 C ATOM 107 O LEU A 8 -18.016 8.773 1.108 1.00 0.00 O ATOM 108 CB LEU A 8 -16.795 6.694 -1.227 1.00 0.00 C ATOM 109 CG LEU A 8 -15.743 6.528 -2.324 1.00 0.00 C ATOM 110 CD1 LEU A 8 -16.079 5.338 -3.210 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.633 7.799 -3.154 1.00 0.00 C ATOM 0 H LEU A 8 -15.495 5.689 0.839 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.936 8.404 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.148 5.704 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.648 7.227 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.779 6.342 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.319 5.235 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.106 4.431 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.053 5.494 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.880 7.663 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.596 8.016 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.345 8.630 -2.510 1.00 0.00 H new ATOM 123 N ALA A 9 -17.987 6.577 1.595 1.00 0.00 N ATOM 124 CA ALA A 9 -19.115 6.655 2.515 1.00 0.00 C ATOM 125 C ALA A 9 -18.918 5.723 3.706 1.00 0.00 C ATOM 126 O ALA A 9 -18.994 4.502 3.570 1.00 0.00 O ATOM 127 CB ALA A 9 -20.411 6.321 1.791 1.00 0.00 C ATOM 0 H ALA A 9 -17.595 5.642 1.486 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.174 7.676 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.245 6.383 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.566 7.029 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.352 5.311 1.386 1.00 0.00 H new ATOM 133 N ALA A 10 -18.663 6.307 4.872 1.00 0.00 N ATOM 134 CA ALA A 10 -18.456 5.529 6.087 1.00 0.00 C ATOM 135 C ALA A 10 -19.590 4.532 6.301 1.00 0.00 C ATOM 136 O ALA A 10 -20.692 4.710 5.783 1.00 0.00 O ATOM 137 CB ALA A 10 -18.328 6.452 7.290 1.00 0.00 C ATOM 0 H ALA A 10 -18.595 7.317 5.001 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.529 4.966 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.174 5.857 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.479 7.121 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.239 7.040 7.396 1.00 0.00 H new ATOM 143 N GLY A 11 -19.313 3.482 7.068 1.00 0.00 N ATOM 144 CA GLY A 11 -20.320 2.472 7.336 1.00 0.00 C ATOM 145 C GLY A 11 -20.402 2.111 8.806 1.00 0.00 C ATOM 146 O GLY A 11 -20.548 2.986 9.659 1.00 0.00 O ATOM 0 H GLY A 11 -18.409 3.313 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.292 2.834 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.095 1.576 6.757 1.00 0.00 H new ATOM 150 N ASP A 12 -20.310 0.820 9.102 1.00 0.00 N ATOM 151 CA ASP A 12 -20.376 0.344 10.479 1.00 0.00 C ATOM 152 C ASP A 12 -19.080 0.654 11.223 1.00 0.00 C ATOM 153 O ASP A 12 -19.099 0.997 12.404 1.00 0.00 O ATOM 154 CB ASP A 12 -20.649 -1.160 10.509 1.00 0.00 C ATOM 155 CG ASP A 12 -20.931 -1.669 11.909 1.00 0.00 C ATOM 156 OD1 ASP A 12 -20.954 -0.845 12.846 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.128 -2.892 12.067 1.00 0.00 O ATOM 0 H ASP A 12 -20.189 0.083 8.407 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.194 0.863 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.500 -1.385 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.790 -1.691 10.099 1.00 0.00 H new ATOM 162 N GLU A 13 -17.957 0.528 10.523 1.00 0.00 N ATOM 163 CA GLU A 13 -16.653 0.792 11.118 1.00 0.00 C ATOM 164 C GLU A 13 -16.482 0.015 12.421 1.00 0.00 C ATOM 165 O GLU A 13 -15.786 0.459 13.334 1.00 0.00 O ATOM 166 CB GLU A 13 -16.480 2.290 11.379 1.00 0.00 C ATOM 167 CG GLU A 13 -15.031 2.745 11.381 1.00 0.00 C ATOM 168 CD GLU A 13 -14.884 4.225 11.674 1.00 0.00 C ATOM 169 OE1 GLU A 13 -14.829 4.593 12.866 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.824 5.017 10.709 1.00 0.00 O ATOM 0 H GLU A 13 -17.924 0.245 9.544 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.888 0.462 10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.026 2.848 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.931 2.537 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.476 2.174 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.584 2.524 10.412 1.00 0.00 H new ATOM 177 N ALA A 14 -17.122 -1.147 12.498 1.00 0.00 N ATOM 178 CA ALA A 14 -17.041 -1.987 13.686 1.00 0.00 C ATOM 179 C ALA A 14 -16.861 -3.453 13.311 1.00 0.00 C ATOM 180 O ALA A 14 -16.085 -4.176 13.939 1.00 0.00 O ATOM 181 CB ALA A 14 -18.284 -1.808 14.545 1.00 0.00 C ATOM 0 H ALA A 14 -17.703 -1.528 11.751 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.168 -1.677 14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.210 -2.441 15.429 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.367 -0.765 14.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.167 -2.089 13.971 1.00 0.00 H new ATOM 187 N THR A 15 -17.582 -3.889 12.283 1.00 0.00 N ATOM 188 CA THR A 15 -17.503 -5.271 11.825 1.00 0.00 C ATOM 189 C THR A 15 -16.596 -5.395 10.606 1.00 0.00 C ATOM 190 O THR A 15 -16.927 -4.914 9.522 1.00 0.00 O ATOM 191 CB THR A 15 -18.896 -5.826 11.472 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.866 -5.345 12.409 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.889 -7.347 11.478 1.00 0.00 C ATOM 0 H THR A 15 -18.228 -3.305 11.751 1.00 0.00 H new ATOM 0 HA THR A 15 -17.085 -5.853 12.647 1.00 0.00 H new ATOM 0 HB THR A 15 -19.157 -5.483 10.471 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.206 -4.476 12.111 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.883 -7.716 11.226 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.170 -7.710 10.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.609 -7.706 12.468 1.00 0.00 H new ATOM 201 N TYR A 16 -15.451 -6.042 10.790 1.00 0.00 N ATOM 202 CA TYR A 16 -14.495 -6.228 9.705 1.00 0.00 C ATOM 203 C TYR A 16 -14.368 -7.703 9.337 1.00 0.00 C ATOM 204 O TYR A 16 -14.628 -8.596 10.144 1.00 0.00 O ATOM 205 CB TYR A 16 -13.127 -5.671 10.102 1.00 0.00 C ATOM 206 CG TYR A 16 -13.104 -4.166 10.248 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.754 -3.542 11.306 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.435 -3.369 9.328 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.737 -2.167 11.443 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.412 -1.994 9.458 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.065 -1.398 10.517 1.00 0.00 C ATOM 212 OH TYR A 16 -13.045 -0.028 10.649 1.00 0.00 O ATOM 0 H TYR A 16 -15.162 -6.447 11.681 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.863 -5.685 8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.820 -6.124 11.045 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.393 -5.966 9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.281 -4.142 12.033 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.924 -3.832 8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.247 -1.697 12.271 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.886 -1.389 8.735 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.528 0.364 9.915 1.00 0.00 H new ATOM 222 N PRO A 17 -13.958 -7.967 8.087 1.00 0.00 N ATOM 223 CA PRO A 17 -13.787 -9.332 7.582 1.00 0.00 C ATOM 224 C PRO A 17 -12.601 -10.044 8.226 1.00 0.00 C ATOM 225 O PRO A 17 -11.483 -9.529 8.231 1.00 0.00 O ATOM 226 CB PRO A 17 -13.539 -9.128 6.085 1.00 0.00 C ATOM 227 CG PRO A 17 -12.978 -7.752 5.978 1.00 0.00 C ATOM 228 CD PRO A 17 -13.631 -6.952 7.071 1.00 0.00 C ATOM 0 HA PRO A 17 -14.650 -9.960 7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.843 -9.871 5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.462 -9.225 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.894 -7.762 6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.188 -7.320 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.960 -6.189 7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.524 -6.438 6.714 1.00 0.00 H new ATOM 236 N LYS A 18 -12.853 -11.230 8.768 1.00 0.00 N ATOM 237 CA LYS A 18 -11.807 -12.014 9.413 1.00 0.00 C ATOM 238 C LYS A 18 -10.915 -12.690 8.376 1.00 0.00 C ATOM 239 O LYS A 18 -11.400 -13.211 7.372 1.00 0.00 O ATOM 240 CB LYS A 18 -12.425 -13.069 10.334 1.00 0.00 C ATOM 241 CG LYS A 18 -11.539 -13.446 11.508 1.00 0.00 C ATOM 242 CD LYS A 18 -11.527 -12.358 12.569 1.00 0.00 C ATOM 243 CE LYS A 18 -12.611 -12.584 13.612 1.00 0.00 C ATOM 244 NZ LYS A 18 -12.340 -13.792 14.441 1.00 0.00 N ATOM 0 H LYS A 18 -13.773 -11.670 8.773 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.195 -11.336 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.376 -12.696 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.643 -13.964 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.892 -14.379 11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.523 -13.624 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.552 -12.334 13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.672 -11.386 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.682 -11.709 14.258 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.575 -12.693 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.840 -13.709 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.672 -14.640 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.318 -13.871 14.615 1.00 0.00 H new ATOM 258 N ALA A 19 -9.610 -12.679 8.627 1.00 0.00 N ATOM 259 CA ALA A 19 -8.652 -13.294 7.717 1.00 0.00 C ATOM 260 C ALA A 19 -8.955 -14.775 7.519 1.00 0.00 C ATOM 261 O ALA A 19 -8.955 -15.552 8.473 1.00 0.00 O ATOM 262 CB ALA A 19 -7.235 -13.109 8.239 1.00 0.00 C ATOM 0 H ALA A 19 -9.192 -12.251 9.453 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.739 -12.800 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.530 -13.573 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.014 -12.045 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.145 -13.576 9.220 1.00 0.00 H new ATOM 268 N GLY A 20 -9.215 -15.160 6.273 1.00 0.00 N ATOM 269 CA GLY A 20 -9.517 -16.547 5.973 1.00 0.00 C ATOM 270 C GLY A 20 -11.006 -16.829 5.970 1.00 0.00 C ATOM 271 O GLY A 20 -11.428 -17.968 5.772 1.00 0.00 O ATOM 0 H GLY A 20 -9.222 -14.536 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.100 -16.804 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.030 -17.189 6.708 1.00 0.00 H new ATOM 275 N GLN A 21 -11.804 -15.789 6.192 1.00 0.00 N ATOM 276 CA GLN A 21 -13.255 -15.931 6.217 1.00 0.00 C ATOM 277 C GLN A 21 -13.883 -15.325 4.966 1.00 0.00 C ATOM 278 O GLN A 21 -13.225 -14.602 4.217 1.00 0.00 O ATOM 279 CB GLN A 21 -13.833 -15.264 7.466 1.00 0.00 C ATOM 280 CG GLN A 21 -14.419 -16.248 8.465 1.00 0.00 C ATOM 281 CD GLN A 21 -15.632 -15.695 9.187 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.644 -16.380 9.338 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.537 -14.450 9.637 1.00 0.00 N ATOM 0 H GLN A 21 -11.470 -14.839 6.357 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.490 -16.995 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.049 -14.686 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.608 -14.559 7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.697 -17.165 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.656 -16.515 9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.679 -13.919 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.322 -14.025 10.130 1.00 0.00 H new ATOM 292 N VAL A 22 -15.159 -15.624 4.745 1.00 0.00 N ATOM 293 CA VAL A 22 -15.876 -15.109 3.585 1.00 0.00 C ATOM 294 C VAL A 22 -16.452 -13.725 3.866 1.00 0.00 C ATOM 295 O VAL A 22 -16.770 -13.394 5.008 1.00 0.00 O ATOM 296 CB VAL A 22 -17.018 -16.053 3.166 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.610 -15.616 1.835 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.521 -17.489 3.092 1.00 0.00 C ATOM 0 H VAL A 22 -15.718 -16.221 5.355 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.154 -15.041 2.771 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.804 -16.003 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.416 -16.295 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.004 -14.604 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.836 -15.636 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.341 -18.143 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.717 -17.558 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.148 -17.796 4.069 1.00 0.00 H new ATOM 308 N ALA A 23 -16.586 -12.922 2.816 1.00 0.00 N ATOM 309 CA ALA A 23 -17.127 -11.575 2.949 1.00 0.00 C ATOM 310 C ALA A 23 -17.848 -11.144 1.676 1.00 0.00 C ATOM 311 O ALA A 23 -17.335 -11.320 0.571 1.00 0.00 O ATOM 312 CB ALA A 23 -16.016 -10.591 3.287 1.00 0.00 C ATOM 0 H ALA A 23 -16.327 -13.181 1.864 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.853 -11.581 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.434 -9.589 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.547 -10.881 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.270 -10.598 2.492 1.00 0.00 H new ATOM 318 N VAL A 24 -19.040 -10.580 1.839 1.00 0.00 N ATOM 319 CA VAL A 24 -19.832 -10.124 0.703 1.00 0.00 C ATOM 320 C VAL A 24 -19.701 -8.618 0.511 1.00 0.00 C ATOM 321 O VAL A 24 -19.937 -7.841 1.436 1.00 0.00 O ATOM 322 CB VAL A 24 -21.320 -10.482 0.876 1.00 0.00 C ATOM 323 CG1 VAL A 24 -22.081 -10.244 -0.420 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.471 -11.924 1.336 1.00 0.00 C ATOM 0 H VAL A 24 -19.479 -10.428 2.747 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.444 -10.634 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.745 -9.834 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -23.130 -10.502 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -22.001 -9.194 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.658 -10.865 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.529 -12.160 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -21.031 -12.590 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.962 -12.057 2.291 1.00 0.00 H new ATOM 334 N VAL A 25 -19.324 -8.211 -0.697 1.00 0.00 N ATOM 335 CA VAL A 25 -19.164 -6.796 -1.011 1.00 0.00 C ATOM 336 C VAL A 25 -19.538 -6.509 -2.461 1.00 0.00 C ATOM 337 O VAL A 25 -19.886 -7.419 -3.215 1.00 0.00 O ATOM 338 CB VAL A 25 -17.718 -6.327 -0.764 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.195 -6.880 0.553 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.819 -6.739 -1.919 1.00 0.00 C ATOM 0 H VAL A 25 -19.124 -8.841 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.835 -6.247 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.714 -5.239 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.172 -6.538 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.825 -6.529 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.213 -7.969 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.801 -6.399 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.827 -7.825 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.184 -6.289 -2.842 1.00 0.00 H new ATOM 350 N HIS A 26 -19.465 -5.239 -2.845 1.00 0.00 N ATOM 351 CA HIS A 26 -19.795 -4.832 -4.206 1.00 0.00 C ATOM 352 C HIS A 26 -18.609 -4.137 -4.869 1.00 0.00 C ATOM 353 O HIS A 26 -18.059 -3.177 -4.329 1.00 0.00 O ATOM 354 CB HIS A 26 -21.009 -3.902 -4.203 1.00 0.00 C ATOM 355 CG HIS A 26 -22.284 -4.580 -4.599 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.592 -4.899 -5.905 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.332 -5.001 -3.853 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.775 -5.485 -5.945 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.245 -5.560 -4.713 1.00 0.00 N ATOM 0 H HIS A 26 -19.180 -4.474 -2.233 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.034 -5.728 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.128 -3.476 -3.207 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.822 -3.072 -4.884 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.999 -4.712 -6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.432 -4.914 -2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.273 -5.842 -6.834 1.00 0.00 H new ATOM 367 N TYR A 27 -18.221 -4.629 -6.040 1.00 0.00 N ATOM 368 CA TYR A 27 -17.098 -4.058 -6.774 1.00 0.00 C ATOM 369 C TYR A 27 -17.583 -3.294 -8.002 1.00 0.00 C ATOM 370 O TYR A 27 -18.454 -3.761 -8.736 1.00 0.00 O ATOM 371 CB TYR A 27 -16.124 -5.159 -7.197 1.00 0.00 C ATOM 372 CG TYR A 27 -16.715 -6.147 -8.178 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.692 -5.897 -9.544 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.296 -7.330 -7.737 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.232 -6.796 -10.444 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.837 -8.235 -8.630 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.803 -7.963 -9.982 1.00 0.00 C ATOM 378 OH TYR A 27 -18.340 -8.862 -10.875 1.00 0.00 O ATOM 0 H TYR A 27 -18.667 -5.422 -6.501 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.582 -3.361 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.242 -4.700 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.789 -5.697 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.244 -4.984 -9.909 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.325 -7.545 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.207 -6.586 -11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.284 -9.150 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.701 -9.632 -10.387 1.00 0.00 H new ATOM 388 N THR A 28 -17.011 -2.113 -8.221 1.00 0.00 N ATOM 389 CA THR A 28 -17.384 -1.282 -9.358 1.00 0.00 C ATOM 390 C THR A 28 -16.153 -0.839 -10.142 1.00 0.00 C ATOM 391 O THR A 28 -15.224 -0.259 -9.581 1.00 0.00 O ATOM 392 CB THR A 28 -18.170 -0.036 -8.910 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.391 -0.429 -8.275 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.476 0.866 -10.096 1.00 0.00 C ATOM 0 H THR A 28 -16.287 -1.711 -7.625 1.00 0.00 H new ATOM 0 HA THR A 28 -18.020 -1.891 -10.000 1.00 0.00 H new ATOM 0 HB THR A 28 -17.555 0.519 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.884 0.369 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.032 1.739 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.543 1.187 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.073 0.318 -10.825 1.00 0.00 H new ATOM 402 N GLY A 29 -16.154 -1.114 -11.442 1.00 0.00 N ATOM 403 CA GLY A 29 -15.032 -0.736 -12.282 1.00 0.00 C ATOM 404 C GLY A 29 -14.857 0.767 -12.372 1.00 0.00 C ATOM 405 O GLY A 29 -15.836 1.512 -12.435 1.00 0.00 O ATOM 0 H GLY A 29 -16.912 -1.592 -11.929 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.119 -1.182 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.178 -1.142 -13.283 1.00 0.00 H new ATOM 409 N THR A 30 -13.606 1.216 -12.376 1.00 0.00 N ATOM 410 CA THR A 30 -13.305 2.640 -12.456 1.00 0.00 C ATOM 411 C THR A 30 -11.822 2.875 -12.719 1.00 0.00 C ATOM 412 O THR A 30 -10.967 2.157 -12.198 1.00 0.00 O ATOM 413 CB THR A 30 -13.708 3.373 -11.162 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.256 2.442 -10.222 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.725 4.466 -11.454 1.00 0.00 C ATOM 0 H THR A 30 -12.784 0.614 -12.325 1.00 0.00 H new ATOM 0 HA THR A 30 -13.886 3.039 -13.287 1.00 0.00 H new ATOM 0 HB THR A 30 -12.816 3.833 -10.738 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.528 1.982 -9.755 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.995 4.970 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.294 5.189 -12.147 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.616 4.024 -11.899 1.00 0.00 H new ATOM 423 N LEU A 31 -11.522 3.885 -13.529 1.00 0.00 N ATOM 424 CA LEU A 31 -10.141 4.215 -13.860 1.00 0.00 C ATOM 425 C LEU A 31 -9.636 5.371 -13.002 1.00 0.00 C ATOM 426 O LEU A 31 -10.425 6.127 -12.436 1.00 0.00 O ATOM 427 CB LEU A 31 -10.023 4.576 -15.342 1.00 0.00 C ATOM 428 CG LEU A 31 -10.155 3.415 -16.328 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.001 3.908 -17.758 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.128 2.335 -16.021 1.00 0.00 C ATOM 0 H LEU A 31 -12.217 4.489 -13.968 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.526 3.339 -13.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.789 5.315 -15.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.057 5.055 -15.503 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.150 2.984 -16.220 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.098 3.067 -18.445 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.775 4.645 -17.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.020 4.366 -17.881 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.237 1.517 -16.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.125 2.754 -16.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.286 1.960 -15.010 1.00 0.00 H new ATOM 442 N ALA A 32 -8.317 5.503 -12.913 1.00 0.00 N ATOM 443 CA ALA A 32 -7.707 6.569 -12.128 1.00 0.00 C ATOM 444 C ALA A 32 -8.144 7.941 -12.632 1.00 0.00 C ATOM 445 O ALA A 32 -8.070 8.932 -11.906 1.00 0.00 O ATOM 446 CB ALA A 32 -6.191 6.450 -12.164 1.00 0.00 C ATOM 0 H ALA A 32 -7.650 4.885 -13.375 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.044 6.465 -11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.749 7.253 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.892 5.487 -11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.845 6.525 -13.195 1.00 0.00 H new ATOM 452 N ASP A 33 -8.598 7.990 -13.880 1.00 0.00 N ATOM 453 CA ASP A 33 -9.047 9.241 -14.481 1.00 0.00 C ATOM 454 C ASP A 33 -10.510 9.511 -14.144 1.00 0.00 C ATOM 455 O ASP A 33 -11.005 10.622 -14.331 1.00 0.00 O ATOM 456 CB ASP A 33 -8.859 9.198 -15.998 1.00 0.00 C ATOM 457 CG ASP A 33 -7.406 9.343 -16.406 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.548 9.476 -15.509 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.127 9.324 -17.623 1.00 0.00 O ATOM 0 H ASP A 33 -8.665 7.179 -14.495 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.443 10.051 -14.071 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.249 8.256 -16.383 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.443 9.996 -16.456 1.00 0.00 H new ATOM 464 N GLY A 34 -11.197 8.486 -13.648 1.00 0.00 N ATOM 465 CA GLY A 34 -12.597 8.634 -13.295 1.00 0.00 C ATOM 466 C GLY A 34 -13.513 7.857 -14.219 1.00 0.00 C ATOM 467 O GLY A 34 -14.681 7.631 -13.903 1.00 0.00 O ATOM 0 H GLY A 34 -10.809 7.557 -13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.748 8.295 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.866 9.690 -13.325 1.00 0.00 H new ATOM 471 N LYS A 35 -12.984 7.447 -15.367 1.00 0.00 N ATOM 472 CA LYS A 35 -13.761 6.692 -16.342 1.00 0.00 C ATOM 473 C LYS A 35 -14.443 5.496 -15.685 1.00 0.00 C ATOM 474 O LYS A 35 -13.780 4.575 -15.208 1.00 0.00 O ATOM 475 CB LYS A 35 -12.861 6.215 -17.484 1.00 0.00 C ATOM 476 CG LYS A 35 -13.578 6.102 -18.818 1.00 0.00 C ATOM 477 CD LYS A 35 -12.599 6.103 -19.980 1.00 0.00 C ATOM 478 CE LYS A 35 -12.149 7.513 -20.329 1.00 0.00 C ATOM 479 NZ LYS A 35 -11.557 7.584 -21.693 1.00 0.00 N ATOM 0 H LYS A 35 -12.019 7.625 -15.645 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.530 7.351 -16.745 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.024 6.906 -17.588 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.442 5.243 -17.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.167 5.185 -18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.276 6.932 -18.928 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.731 5.495 -19.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.066 5.643 -20.851 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.000 8.192 -20.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.416 7.852 -19.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.263 8.561 -21.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.730 6.956 -21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.264 7.285 -22.394 1.00 0.00 H new ATOM 493 N VAL A 36 -15.772 5.516 -15.665 1.00 0.00 N ATOM 494 CA VAL A 36 -16.544 4.432 -15.069 1.00 0.00 C ATOM 495 C VAL A 36 -16.465 3.169 -15.919 1.00 0.00 C ATOM 496 O VAL A 36 -16.478 3.233 -17.149 1.00 0.00 O ATOM 497 CB VAL A 36 -18.022 4.827 -14.892 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.730 4.863 -16.238 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.720 3.867 -13.940 1.00 0.00 C ATOM 0 H VAL A 36 -16.336 6.271 -16.055 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.109 4.235 -14.089 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.063 5.827 -14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.773 5.144 -16.093 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.244 5.593 -16.885 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.681 3.878 -16.702 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.763 4.161 -13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.670 2.855 -14.342 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.227 3.896 -12.968 1.00 0.00 H new ATOM 509 N PHE A 37 -16.383 2.020 -15.256 1.00 0.00 N ATOM 510 CA PHE A 37 -16.302 0.741 -15.951 1.00 0.00 C ATOM 511 C PHE A 37 -17.384 -0.216 -15.458 1.00 0.00 C ATOM 512 O PHE A 37 -18.231 0.154 -14.645 1.00 0.00 O ATOM 513 CB PHE A 37 -14.921 0.114 -15.749 1.00 0.00 C ATOM 514 CG PHE A 37 -13.948 0.442 -16.846 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.582 1.754 -17.096 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.400 -0.563 -17.627 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.686 2.059 -18.104 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.504 -0.264 -18.636 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.148 1.049 -18.875 1.00 0.00 C ATOM 0 H PHE A 37 -16.371 1.949 -14.239 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.460 0.923 -17.014 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.512 0.454 -14.798 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.029 -0.969 -15.681 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -14.001 2.548 -16.497 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.676 -1.591 -17.445 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.408 3.086 -18.288 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.083 -1.056 -19.237 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.450 1.285 -19.664 1.00 0.00 H new ATOM 529 N ASP A 38 -17.348 -1.447 -15.956 1.00 0.00 N ATOM 530 CA ASP A 38 -18.325 -2.458 -15.566 1.00 0.00 C ATOM 531 C ASP A 38 -18.332 -2.651 -14.053 1.00 0.00 C ATOM 532 O ASP A 38 -17.282 -2.825 -13.435 1.00 0.00 O ATOM 533 CB ASP A 38 -18.021 -3.785 -16.262 1.00 0.00 C ATOM 534 CG ASP A 38 -19.274 -4.587 -16.553 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.295 -3.975 -16.932 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.234 -5.825 -16.404 1.00 0.00 O ATOM 0 H ASP A 38 -16.654 -1.769 -16.630 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.312 -2.113 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.493 -3.590 -17.196 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.353 -4.376 -15.636 1.00 0.00 H new ATOM 541 N SER A 39 -19.523 -2.619 -13.463 1.00 0.00 N ATOM 542 CA SER A 39 -19.666 -2.787 -12.022 1.00 0.00 C ATOM 543 C SER A 39 -20.608 -3.944 -11.701 1.00 0.00 C ATOM 544 O SER A 39 -21.512 -4.256 -12.476 1.00 0.00 O ATOM 545 CB SER A 39 -20.190 -1.497 -11.387 1.00 0.00 C ATOM 546 OG SER A 39 -21.591 -1.376 -11.559 1.00 0.00 O ATOM 0 H SER A 39 -20.402 -2.478 -13.961 1.00 0.00 H new ATOM 0 HA SER A 39 -18.684 -3.015 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.949 -1.487 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.690 -0.638 -11.835 1.00 0.00 H new ATOM 0 HG SER A 39 -21.901 -0.545 -11.143 1.00 0.00 H new ATOM 552 N SER A 40 -20.389 -4.575 -10.552 1.00 0.00 N ATOM 553 CA SER A 40 -21.214 -5.700 -10.128 1.00 0.00 C ATOM 554 C SER A 40 -22.563 -5.217 -9.604 1.00 0.00 C ATOM 555 O SER A 40 -23.510 -5.995 -9.486 1.00 0.00 O ATOM 556 CB SER A 40 -20.494 -6.510 -9.048 1.00 0.00 C ATOM 557 OG SER A 40 -21.082 -6.300 -7.776 1.00 0.00 O ATOM 0 H SER A 40 -19.647 -4.326 -9.898 1.00 0.00 H new ATOM 0 HA SER A 40 -21.388 -6.338 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.531 -7.570 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.442 -6.226 -9.017 1.00 0.00 H new ATOM 0 HG SER A 40 -20.605 -6.829 -7.104 1.00 0.00 H new ATOM 668 N PHE A 47 -21.043 -9.655 -4.814 1.00 0.00 N ATOM 669 CA PHE A 47 -20.044 -10.710 -4.943 1.00 0.00 C ATOM 670 C PHE A 47 -19.256 -10.872 -3.647 1.00 0.00 C ATOM 671 O PHE A 47 -18.776 -9.895 -3.073 1.00 0.00 O ATOM 672 CB PHE A 47 -19.090 -10.400 -6.098 1.00 0.00 C ATOM 673 CG PHE A 47 -18.404 -11.615 -6.651 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.287 -12.143 -6.023 1.00 0.00 C ATOM 675 CD2 PHE A 47 -18.875 -12.231 -7.800 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.653 -13.261 -6.531 1.00 0.00 C ATOM 677 CE2 PHE A 47 -18.245 -13.350 -8.312 1.00 0.00 C ATOM 678 CZ PHE A 47 -17.134 -13.866 -7.676 1.00 0.00 C ATOM 0 HA PHE A 47 -20.563 -11.645 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -19.647 -9.912 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -18.336 -9.691 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.908 -11.675 -5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -19.744 -11.832 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.782 -13.661 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -18.622 -13.820 -9.209 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.641 -14.741 -8.073 1.00 0.00 H new ATOM 688 N ARG A 48 -19.127 -12.114 -3.191 1.00 0.00 N ATOM 689 CA ARG A 48 -18.399 -12.406 -1.962 1.00 0.00 C ATOM 690 C ARG A 48 -17.199 -13.306 -2.242 1.00 0.00 C ATOM 691 O ARG A 48 -17.069 -13.864 -3.331 1.00 0.00 O ATOM 692 CB ARG A 48 -19.323 -13.073 -0.942 1.00 0.00 C ATOM 693 CG ARG A 48 -19.362 -14.588 -1.055 1.00 0.00 C ATOM 694 CD ARG A 48 -19.852 -15.032 -2.425 1.00 0.00 C ATOM 695 NE ARG A 48 -21.180 -14.506 -2.728 1.00 0.00 N ATOM 696 CZ ARG A 48 -22.306 -15.040 -2.267 1.00 0.00 C ATOM 697 NH1 ARG A 48 -22.264 -16.110 -1.485 1.00 0.00 N ATOM 698 NH2 ARG A 48 -23.476 -14.503 -2.587 1.00 0.00 N ATOM 0 H ARG A 48 -19.517 -12.934 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.037 -11.463 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.999 -12.800 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.332 -12.682 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -18.366 -14.993 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.016 -14.995 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.148 -14.699 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.875 -16.121 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.247 -13.683 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.366 -16.525 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.130 -16.518 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.512 -13.679 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.340 -14.914 -2.233 1.00 0.00 H new ATOM 712 N PHE A 49 -16.323 -13.441 -1.251 1.00 0.00 N ATOM 713 CA PHE A 49 -15.133 -14.271 -1.391 1.00 0.00 C ATOM 714 C PHE A 49 -14.391 -14.387 -0.062 1.00 0.00 C ATOM 715 O PHE A 49 -14.668 -13.647 0.883 1.00 0.00 O ATOM 716 CB PHE A 49 -14.203 -13.691 -2.458 1.00 0.00 C ATOM 717 CG PHE A 49 -13.676 -12.327 -2.117 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.513 -12.184 -1.377 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.343 -11.187 -2.535 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.026 -10.929 -1.061 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.862 -9.930 -2.222 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.701 -9.801 -1.485 1.00 0.00 C ATOM 0 H PHE A 49 -16.415 -12.986 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.450 -15.268 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.363 -14.370 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.739 -13.638 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.981 -13.063 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.250 -11.282 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.119 -10.831 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.393 -9.050 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.322 -8.820 -1.241 1.00 0.00 H new ATOM 732 N THR A 50 -13.448 -15.321 0.003 1.00 0.00 N ATOM 733 CA THR A 50 -12.667 -15.536 1.215 1.00 0.00 C ATOM 734 C THR A 50 -11.471 -14.593 1.273 1.00 0.00 C ATOM 735 O THR A 50 -10.497 -14.763 0.539 1.00 0.00 O ATOM 736 CB THR A 50 -12.166 -16.989 1.310 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.276 -17.893 1.279 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.367 -17.203 2.587 1.00 0.00 C ATOM 0 H THR A 50 -13.206 -15.941 -0.770 1.00 0.00 H new ATOM 0 HA THR A 50 -13.328 -15.332 2.057 1.00 0.00 H new ATOM 0 HB THR A 50 -11.516 -17.183 0.456 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.949 -18.815 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.023 -18.236 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.507 -16.534 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.998 -16.992 3.451 1.00 0.00 H new ATOM 746 N VAL A 51 -11.550 -13.597 2.150 1.00 0.00 N ATOM 747 CA VAL A 51 -10.472 -12.627 2.305 1.00 0.00 C ATOM 748 C VAL A 51 -9.194 -13.300 2.793 1.00 0.00 C ATOM 749 O VAL A 51 -9.079 -13.664 3.962 1.00 0.00 O ATOM 750 CB VAL A 51 -10.860 -11.510 3.292 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.817 -10.403 3.282 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.238 -10.959 2.957 1.00 0.00 C ATOM 0 H VAL A 51 -12.349 -13.441 2.764 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.296 -12.189 1.323 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.897 -11.932 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.108 -9.623 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.850 -10.812 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.745 -9.980 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.496 -10.171 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.231 -10.552 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.975 -11.759 3.020 1.00 0.00 H new ATOM 762 N GLY A 52 -8.233 -13.461 1.887 1.00 0.00 N ATOM 763 CA GLY A 52 -6.975 -14.089 2.244 1.00 0.00 C ATOM 764 C GLY A 52 -6.690 -15.327 1.417 1.00 0.00 C ATOM 765 O GLY A 52 -5.563 -15.822 1.397 1.00 0.00 O ATOM 0 H GLY A 52 -8.304 -13.167 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.164 -13.373 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.993 -14.358 3.300 1.00 0.00 H new ATOM 769 N ARG A 53 -7.714 -15.830 0.735 1.00 0.00 N ATOM 770 CA ARG A 53 -7.568 -17.020 -0.094 1.00 0.00 C ATOM 771 C ARG A 53 -6.941 -16.671 -1.441 1.00 0.00 C ATOM 772 O ARG A 53 -6.647 -15.509 -1.718 1.00 0.00 O ATOM 773 CB ARG A 53 -8.929 -17.686 -0.311 1.00 0.00 C ATOM 774 CG ARG A 53 -9.266 -18.736 0.735 1.00 0.00 C ATOM 775 CD ARG A 53 -8.406 -19.980 0.572 1.00 0.00 C ATOM 776 NE ARG A 53 -8.584 -20.917 1.679 1.00 0.00 N ATOM 777 CZ ARG A 53 -7.984 -20.785 2.857 1.00 0.00 C ATOM 778 NH1 ARG A 53 -7.173 -19.761 3.081 1.00 0.00 N ATOM 779 NH2 ARG A 53 -8.197 -21.679 3.814 1.00 0.00 N ATOM 0 H ARG A 53 -8.653 -15.432 0.740 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.909 -17.715 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.704 -16.920 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.944 -18.150 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.119 -18.319 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.319 -19.007 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.658 -20.475 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.357 -19.690 0.508 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.203 -21.716 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.008 -19.071 2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.714 -19.663 3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.821 -22.468 3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.736 -21.578 4.718 1.00 0.00 H new ATOM 793 N GLY A 54 -6.739 -17.687 -2.275 1.00 0.00 N ATOM 794 CA GLY A 54 -6.147 -17.467 -3.582 1.00 0.00 C ATOM 795 C GLY A 54 -7.187 -17.380 -4.682 1.00 0.00 C ATOM 796 O GLY A 54 -6.884 -17.620 -5.850 1.00 0.00 O ATOM 0 H GLY A 54 -6.975 -18.658 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.564 -16.546 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.454 -18.278 -3.805 1.00 0.00 H new ATOM 800 N GLU A 55 -8.415 -17.036 -4.307 1.00 0.00 N ATOM 801 CA GLU A 55 -9.503 -16.920 -5.271 1.00 0.00 C ATOM 802 C GLU A 55 -9.616 -15.492 -5.795 1.00 0.00 C ATOM 803 O GLU A 55 -10.155 -15.256 -6.877 1.00 0.00 O ATOM 804 CB GLU A 55 -10.826 -17.348 -4.634 1.00 0.00 C ATOM 805 CG GLU A 55 -10.817 -18.774 -4.110 1.00 0.00 C ATOM 806 CD GLU A 55 -10.945 -19.803 -5.217 1.00 0.00 C ATOM 807 OE1 GLU A 55 -10.087 -19.806 -6.125 1.00 0.00 O ATOM 808 OE2 GLU A 55 -11.902 -20.604 -5.175 1.00 0.00 O ATOM 0 H GLU A 55 -8.681 -16.833 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.282 -17.580 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.060 -16.670 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.624 -17.245 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.892 -18.950 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.637 -18.903 -3.403 1.00 0.00 H new ATOM 815 N VAL A 56 -9.105 -14.541 -5.019 1.00 0.00 N ATOM 816 CA VAL A 56 -9.148 -13.135 -5.404 1.00 0.00 C ATOM 817 C VAL A 56 -7.744 -12.585 -5.632 1.00 0.00 C ATOM 818 O VAL A 56 -6.757 -13.314 -5.529 1.00 0.00 O ATOM 819 CB VAL A 56 -9.855 -12.282 -4.335 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.348 -12.569 -4.324 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.245 -12.534 -2.964 1.00 0.00 C ATOM 0 H VAL A 56 -8.657 -14.719 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.713 -13.078 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.714 -11.230 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.831 -11.957 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.771 -12.333 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.514 -13.623 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.757 -11.923 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.354 -13.587 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.187 -12.272 -2.983 1.00 0.00 H new ATOM 831 N ILE A 57 -7.663 -11.295 -5.940 1.00 0.00 N ATOM 832 CA ILE A 57 -6.380 -10.647 -6.181 1.00 0.00 C ATOM 833 C ILE A 57 -5.889 -9.919 -4.933 1.00 0.00 C ATOM 834 O ILE A 57 -6.669 -9.625 -4.027 1.00 0.00 O ATOM 835 CB ILE A 57 -6.466 -9.643 -7.346 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.633 -8.678 -7.132 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.616 -10.380 -8.669 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.421 -7.323 -7.769 1.00 0.00 C ATOM 0 H ILE A 57 -8.471 -10.678 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.673 -11.434 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.543 -9.064 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.541 -9.123 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.793 -8.546 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.676 -9.658 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.755 -11.030 -8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.525 -10.981 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.288 -6.691 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.531 -6.857 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.291 -7.443 -8.845 1.00 0.00 H new ATOM 850 N ARG A 58 -4.593 -9.630 -4.895 1.00 0.00 N ATOM 851 CA ARG A 58 -3.998 -8.936 -3.759 1.00 0.00 C ATOM 852 C ARG A 58 -4.777 -7.667 -3.429 1.00 0.00 C ATOM 853 O ARG A 58 -5.080 -7.397 -2.267 1.00 0.00 O ATOM 854 CB ARG A 58 -2.538 -8.589 -4.055 1.00 0.00 C ATOM 855 CG ARG A 58 -1.667 -9.803 -4.333 1.00 0.00 C ATOM 856 CD ARG A 58 -1.141 -10.418 -3.046 1.00 0.00 C ATOM 857 NE ARG A 58 -0.730 -11.807 -3.231 1.00 0.00 N ATOM 858 CZ ARG A 58 -1.584 -12.813 -3.384 1.00 0.00 C ATOM 859 NH1 ARG A 58 -2.890 -12.585 -3.373 1.00 0.00 N ATOM 860 NH2 ARG A 58 -1.133 -14.050 -3.547 1.00 0.00 N ATOM 0 H ARG A 58 -3.935 -9.865 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.039 -9.601 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.500 -7.920 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.124 -8.042 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.243 -10.547 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.830 -9.514 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.294 -9.834 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.913 -10.368 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 58 0.268 -12.016 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.241 -11.636 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.544 -13.359 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.129 -14.230 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.790 -14.821 -3.664 1.00 0.00 H new ATOM 874 N GLY A 59 -5.099 -6.891 -4.460 1.00 0.00 N ATOM 875 CA GLY A 59 -5.840 -5.659 -4.258 1.00 0.00 C ATOM 876 C GLY A 59 -7.068 -5.856 -3.391 1.00 0.00 C ATOM 877 O GLY A 59 -7.176 -5.270 -2.315 1.00 0.00 O ATOM 0 H GLY A 59 -4.860 -7.093 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.188 -4.918 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.143 -5.258 -5.225 1.00 0.00 H new ATOM 881 N TRP A 60 -7.995 -6.683 -3.862 1.00 0.00 N ATOM 882 CA TRP A 60 -9.223 -6.954 -3.122 1.00 0.00 C ATOM 883 C TRP A 60 -8.912 -7.457 -1.717 1.00 0.00 C ATOM 884 O TRP A 60 -9.552 -7.051 -0.747 1.00 0.00 O ATOM 885 CB TRP A 60 -10.075 -7.982 -3.868 1.00 0.00 C ATOM 886 CG TRP A 60 -10.956 -7.374 -4.918 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.848 -6.123 -5.454 1.00 0.00 C ATOM 888 CD2 TRP A 60 -12.079 -7.990 -5.556 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.837 -5.924 -6.387 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.605 -7.055 -6.469 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.692 -9.242 -5.446 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.713 -7.334 -7.264 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.792 -9.517 -6.236 1.00 0.00 C ATOM 894 CH2 TRP A 60 -14.293 -8.567 -7.136 1.00 0.00 C ATOM 0 H TRP A 60 -7.920 -7.177 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.781 -6.021 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.419 -8.717 -4.335 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.695 -8.519 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.096 -5.397 -5.184 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.977 -5.072 -6.930 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.312 -9.981 -4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -14.101 -6.603 -7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.274 -10.480 -6.158 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -15.154 -8.813 -7.740 1.00 0.00 H new ATOM 905 N ASP A 61 -7.926 -8.341 -1.615 1.00 0.00 N ATOM 906 CA ASP A 61 -7.529 -8.899 -0.327 1.00 0.00 C ATOM 907 C ASP A 61 -7.310 -7.792 0.700 1.00 0.00 C ATOM 908 O ASP A 61 -8.015 -7.717 1.706 1.00 0.00 O ATOM 909 CB ASP A 61 -6.255 -9.731 -0.477 1.00 0.00 C ATOM 910 CG ASP A 61 -6.263 -10.966 0.403 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.023 -10.983 1.393 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.508 -11.914 0.102 1.00 0.00 O ATOM 0 H ASP A 61 -7.387 -8.687 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.334 -9.544 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.141 -10.031 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.391 -9.116 -0.227 1.00 0.00 H new ATOM 917 N GLU A 62 -6.327 -6.936 0.439 1.00 0.00 N ATOM 918 CA GLU A 62 -6.014 -5.834 1.342 1.00 0.00 C ATOM 919 C GLU A 62 -7.172 -4.842 1.411 1.00 0.00 C ATOM 920 O GLU A 62 -7.562 -4.402 2.492 1.00 0.00 O ATOM 921 CB GLU A 62 -4.741 -5.118 0.886 1.00 0.00 C ATOM 922 CG GLU A 62 -3.493 -5.980 0.975 1.00 0.00 C ATOM 923 CD GLU A 62 -3.129 -6.334 2.404 1.00 0.00 C ATOM 924 OE1 GLU A 62 -3.496 -5.565 3.317 1.00 0.00 O ATOM 925 OE2 GLU A 62 -2.478 -7.379 2.610 1.00 0.00 O ATOM 0 H GLU A 62 -5.734 -6.984 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.853 -6.248 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.870 -4.786 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.599 -4.224 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.648 -6.897 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.659 -5.454 0.511 1.00 0.00 H new ATOM 932 N GLY A 63 -7.716 -4.494 0.249 1.00 0.00 N ATOM 933 CA GLY A 63 -8.822 -3.556 0.199 1.00 0.00 C ATOM 934 C GLY A 63 -9.952 -3.943 1.133 1.00 0.00 C ATOM 935 O GLY A 63 -10.277 -3.207 2.065 1.00 0.00 O ATOM 0 H GLY A 63 -7.410 -4.845 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.463 -2.561 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.201 -3.500 -0.821 1.00 0.00 H new ATOM 939 N VAL A 64 -10.554 -5.101 0.883 1.00 0.00 N ATOM 940 CA VAL A 64 -11.655 -5.585 1.708 1.00 0.00 C ATOM 941 C VAL A 64 -11.202 -5.826 3.143 1.00 0.00 C ATOM 942 O VAL A 64 -11.969 -5.639 4.087 1.00 0.00 O ATOM 943 CB VAL A 64 -12.250 -6.888 1.143 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.280 -8.044 1.334 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.589 -7.191 1.798 1.00 0.00 C ATOM 0 H VAL A 64 -10.298 -5.722 0.115 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.422 -4.810 1.698 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.417 -6.757 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.717 -8.957 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.347 -7.826 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.079 -8.179 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.995 -8.115 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.451 -7.303 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.282 -6.373 1.604 1.00 0.00 H new ATOM 955 N ALA A 65 -9.949 -6.242 3.300 1.00 0.00 N ATOM 956 CA ALA A 65 -9.392 -6.506 4.621 1.00 0.00 C ATOM 957 C ALA A 65 -9.469 -5.268 5.507 1.00 0.00 C ATOM 958 O ALA A 65 -9.752 -5.365 6.701 1.00 0.00 O ATOM 959 CB ALA A 65 -7.952 -6.982 4.500 1.00 0.00 C ATOM 0 H ALA A 65 -9.301 -6.403 2.529 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.985 -7.292 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.548 -7.176 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.920 -7.898 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.355 -6.214 4.009 1.00 0.00 H new ATOM 965 N GLN A 66 -9.216 -4.105 4.915 1.00 0.00 N ATOM 966 CA GLN A 66 -9.256 -2.848 5.653 1.00 0.00 C ATOM 967 C GLN A 66 -10.598 -2.148 5.463 1.00 0.00 C ATOM 968 O GLN A 66 -10.699 -0.930 5.611 1.00 0.00 O ATOM 969 CB GLN A 66 -8.120 -1.930 5.200 1.00 0.00 C ATOM 970 CG GLN A 66 -6.740 -2.550 5.350 1.00 0.00 C ATOM 971 CD GLN A 66 -5.675 -1.800 4.574 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.790 -1.174 5.159 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.755 -1.858 3.250 1.00 0.00 N ATOM 0 H GLN A 66 -8.981 -4.007 3.927 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.131 -3.073 6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.276 -1.660 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.159 -1.006 5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.468 -2.571 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.772 -3.585 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.505 -2.389 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.066 -1.372 2.676 1.00 0.00 H new ATOM 982 N MET A 67 -11.624 -2.925 5.135 1.00 0.00 N ATOM 983 CA MET A 67 -12.960 -2.379 4.926 1.00 0.00 C ATOM 984 C MET A 67 -13.904 -2.810 6.044 1.00 0.00 C ATOM 985 O MET A 67 -13.654 -3.797 6.735 1.00 0.00 O ATOM 986 CB MET A 67 -13.513 -2.831 3.574 1.00 0.00 C ATOM 987 CG MET A 67 -12.929 -2.070 2.394 1.00 0.00 C ATOM 988 SD MET A 67 -13.920 -0.636 1.933 1.00 0.00 S ATOM 989 CE MET A 67 -15.455 -1.425 1.452 1.00 0.00 C ATOM 0 H MET A 67 -11.556 -3.935 5.008 1.00 0.00 H new ATOM 0 HA MET A 67 -12.886 -1.292 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.312 -3.895 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.596 -2.709 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.919 -1.744 2.641 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.848 -2.741 1.539 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.078 -0.711 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.240 -2.278 0.808 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.983 -1.767 2.342 1.00 0.00 H new ATOM 999 N SER A 68 -14.990 -2.063 6.217 1.00 0.00 N ATOM 1000 CA SER A 68 -15.969 -2.365 7.254 1.00 0.00 C ATOM 1001 C SER A 68 -17.360 -2.544 6.652 1.00 0.00 C ATOM 1002 O SER A 68 -17.712 -1.893 5.669 1.00 0.00 O ATOM 1003 CB SER A 68 -15.994 -1.251 8.302 1.00 0.00 C ATOM 1004 OG SER A 68 -16.069 0.024 7.689 1.00 0.00 O ATOM 0 H SER A 68 -15.214 -1.244 5.652 1.00 0.00 H new ATOM 0 HA SER A 68 -15.677 -3.299 7.734 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.848 -1.390 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.098 -1.309 8.920 1.00 0.00 H new ATOM 0 HG SER A 68 -15.624 0.687 8.257 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.147 -3.433 7.251 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.500 -3.698 6.776 1.00 0.00 C ATOM 1012 C VAL A 69 -20.297 -2.405 6.637 1.00 0.00 C ATOM 1013 O VAL A 69 -20.408 -1.628 7.583 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.251 -4.651 7.725 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.669 -4.889 7.230 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.498 -5.966 7.864 1.00 0.00 C ATOM 0 H VAL A 69 -17.871 -3.981 8.066 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.405 -4.170 5.798 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.309 -4.186 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.184 -5.565 7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.203 -3.940 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.637 -5.333 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.042 -6.628 8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.408 -6.439 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.504 -5.775 8.268 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.850 -2.183 5.448 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.631 -0.984 5.206 1.00 0.00 C ATOM 1028 C GLY A 70 -20.768 0.199 4.812 1.00 0.00 C ATOM 1029 O GLY A 70 -21.248 1.331 4.751 1.00 0.00 O ATOM 0 H GLY A 70 -20.771 -2.812 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.357 -1.180 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.196 -0.735 6.104 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.493 -0.063 4.546 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.562 0.990 4.158 1.00 0.00 C ATOM 1035 C GLN A 71 -18.255 0.923 2.665 1.00 0.00 C ATOM 1036 O GLN A 71 -18.111 -0.161 2.100 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.266 0.877 4.963 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.478 2.175 5.034 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.017 1.990 4.677 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.200 1.628 5.525 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.678 2.239 3.418 1.00 0.00 N ATOM 0 H GLN A 71 -19.081 -0.995 4.592 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.031 1.951 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.504 0.551 5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.638 0.105 4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.924 2.904 4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.553 2.587 6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.387 2.537 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.708 2.132 3.120 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.155 2.088 2.033 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.866 2.160 0.606 1.00 0.00 C ATOM 1052 C ARG A 72 -16.659 3.054 0.341 1.00 0.00 C ATOM 1053 O ARG A 72 -16.543 4.142 0.905 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.083 2.689 -0.156 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.845 2.848 -1.648 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.141 2.734 -2.435 1.00 0.00 C ATOM 1057 NE ARG A 72 -21.160 3.659 -1.948 1.00 0.00 N ATOM 1058 CZ ARG A 72 -22.354 3.803 -2.514 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.675 3.084 -3.581 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -23.228 4.666 -2.013 1.00 0.00 N ATOM 0 H ARG A 72 -18.270 2.994 2.487 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.635 1.154 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.922 2.010 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.372 3.653 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.384 3.816 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.143 2.087 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.944 2.933 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.517 1.713 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.944 4.226 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.005 2.419 -3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.592 3.196 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.984 5.220 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.144 4.775 -2.449 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.761 2.587 -0.521 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.564 3.345 -0.863 1.00 0.00 C ATOM 1076 C ALA A 73 -13.974 2.872 -2.187 1.00 0.00 C ATOM 1077 O ALA A 73 -14.352 1.822 -2.708 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.531 3.228 0.249 1.00 0.00 C ATOM 0 H ALA A 73 -15.840 1.687 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.846 4.392 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.642 3.799 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.948 3.621 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.262 2.181 0.387 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.046 3.654 -2.729 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.403 3.316 -3.993 1.00 0.00 C ATOM 1086 C LYS A 74 -11.100 2.559 -3.755 1.00 0.00 C ATOM 1087 O LYS A 74 -10.219 3.030 -3.036 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.128 4.584 -4.804 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.361 5.441 -5.031 1.00 0.00 C ATOM 1090 CD LYS A 74 -13.081 6.576 -6.001 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.111 6.096 -7.444 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.763 7.185 -8.398 1.00 0.00 N ATOM 0 H LYS A 74 -12.722 4.527 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.079 2.672 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.373 5.178 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.708 4.303 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.169 4.821 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.701 5.850 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.821 7.365 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.106 7.012 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.412 5.269 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.104 5.711 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.795 6.818 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.445 7.964 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.806 7.535 -8.191 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.985 1.384 -4.365 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.788 0.562 -4.220 1.00 0.00 C ATOM 1108 C LEU A 75 -8.861 0.734 -5.420 1.00 0.00 C ATOM 1109 O LEU A 75 -9.028 0.076 -6.446 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.172 -0.911 -4.066 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.089 -1.832 -3.505 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.618 -1.337 -2.146 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.603 -3.261 -3.405 1.00 0.00 C ATOM 0 H LEU A 75 -11.705 0.980 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.259 0.889 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.045 -0.972 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.474 -1.291 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.239 -1.819 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.847 -2.005 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.209 -0.332 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.460 -1.319 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.819 -3.903 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.469 -3.291 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.890 -3.615 -4.395 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.882 1.622 -5.281 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.926 1.879 -6.352 1.00 0.00 C ATOM 1127 C VAL A 76 -5.614 1.143 -6.105 1.00 0.00 C ATOM 1128 O VAL A 76 -4.811 1.550 -5.265 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.638 3.385 -6.498 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.273 3.992 -5.152 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.531 3.619 -7.515 1.00 0.00 C ATOM 0 H VAL A 76 -7.730 2.175 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.377 1.512 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.542 3.877 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.073 5.056 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.100 3.856 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.384 3.499 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.340 4.688 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.622 3.115 -7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.836 3.221 -8.483 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.403 0.059 -6.842 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.187 -0.735 -6.704 1.00 0.00 C ATOM 1143 C CYS A 77 -3.507 -0.930 -8.055 1.00 0.00 C ATOM 1144 O CYS A 77 -4.128 -0.757 -9.104 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.509 -2.095 -6.081 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.554 -3.150 -7.112 1.00 0.00 S ATOM 0 H CYS A 77 -6.058 -0.291 -7.541 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.503 -0.195 -6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.575 -2.618 -5.874 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.004 -1.936 -5.123 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.135 -4.379 -7.041 1.00 0.00 H new ATOM 1152 N SER A 78 -2.228 -1.288 -8.022 1.00 0.00 N ATOM 1153 CA SER A 78 -1.462 -1.501 -9.244 1.00 0.00 C ATOM 1154 C SER A 78 -1.781 -2.861 -9.856 1.00 0.00 C ATOM 1155 O SER A 78 -2.400 -3.722 -9.230 1.00 0.00 O ATOM 1156 CB SER A 78 0.037 -1.398 -8.956 1.00 0.00 C ATOM 1157 OG SER A 78 0.576 -0.197 -9.480 1.00 0.00 O ATOM 0 H SER A 78 -1.700 -1.437 -7.162 1.00 0.00 H new ATOM 0 HA SER A 78 -1.742 -0.726 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.207 -1.438 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.554 -2.253 -9.392 1.00 0.00 H new ATOM 0 HG SER A 78 1.535 -0.155 -9.281 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.351 -3.060 -11.111 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.579 -4.313 -11.836 1.00 0.00 C ATOM 1165 C PRO A 79 -0.762 -5.469 -11.268 1.00 0.00 C ATOM 1166 O PRO A 79 -1.140 -6.633 -11.401 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.123 -3.987 -13.261 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.138 -2.881 -13.099 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.608 -2.078 -11.918 1.00 0.00 C ATOM 0 HA PRO A 79 -2.617 -4.638 -11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.669 -4.855 -13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.963 -3.681 -13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.865 -3.273 -12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.092 -2.265 -13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.228 -1.652 -11.363 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.243 -1.247 -12.224 1.00 0.00 H new ATOM 1177 N ASP A 80 0.359 -5.140 -10.635 1.00 0.00 N ATOM 1178 CA ASP A 80 1.228 -6.151 -10.045 1.00 0.00 C ATOM 1179 C ASP A 80 0.506 -6.907 -8.934 1.00 0.00 C ATOM 1180 O ASP A 80 0.850 -8.047 -8.620 1.00 0.00 O ATOM 1181 CB ASP A 80 2.499 -5.503 -9.494 1.00 0.00 C ATOM 1182 CG ASP A 80 3.579 -6.520 -9.180 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.701 -7.508 -9.934 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.302 -6.327 -8.181 1.00 0.00 O ATOM 0 H ASP A 80 0.687 -4.181 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 80 1.500 -6.861 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.881 -4.784 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.256 -4.945 -8.590 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.494 -6.265 -8.341 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.263 -6.875 -7.263 1.00 0.00 C ATOM 1191 C TYR A 81 -2.658 -7.265 -7.741 1.00 0.00 C ATOM 1192 O TYR A 81 -3.545 -7.551 -6.937 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.367 -5.916 -6.077 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.293 -6.124 -5.033 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.008 -6.443 -5.401 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.580 -6.000 -3.679 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.992 -6.634 -4.450 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.399 -6.189 -2.722 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.683 -6.506 -3.112 1.00 0.00 C ATOM 1200 OH TYR A 81 2.661 -6.695 -2.163 1.00 0.00 O ATOM 0 H TYR A 81 -0.791 -5.321 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.742 -7.779 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.312 -4.891 -6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.344 -6.035 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.254 -6.543 -6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.585 -5.752 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.998 -6.882 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.159 -6.089 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 81 2.279 -6.567 -1.270 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.845 -7.274 -9.057 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.130 -7.631 -9.644 1.00 0.00 C ATOM 1212 C ALA A 82 -3.946 -8.319 -10.992 1.00 0.00 C ATOM 1213 O ALA A 82 -2.837 -8.715 -11.351 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.003 -6.393 -9.795 1.00 0.00 C ATOM 0 H ALA A 82 -2.122 -7.038 -9.737 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.626 -8.332 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.960 -6.674 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.171 -5.945 -8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.504 -5.673 -10.443 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.040 -8.460 -11.733 1.00 0.00 N ATOM 1221 CA TYR A 83 -4.999 -9.104 -13.040 1.00 0.00 C ATOM 1222 C TYR A 83 -4.789 -8.076 -14.148 1.00 0.00 C ATOM 1223 O TYR A 83 -5.022 -8.356 -15.323 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.293 -9.881 -13.289 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.539 -9.129 -12.883 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -7.857 -7.906 -13.461 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.401 -9.641 -11.920 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -8.994 -7.215 -13.092 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.541 -8.957 -11.545 1.00 0.00 C ATOM 1230 CZ TYR A 83 -9.833 -7.744 -12.134 1.00 0.00 C ATOM 1231 OH TYR A 83 -10.968 -7.059 -11.764 1.00 0.00 O ATOM 0 H TYR A 83 -5.965 -8.137 -11.451 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.158 -9.798 -13.049 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.359 -10.131 -14.348 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.253 -10.823 -12.741 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.203 -7.488 -14.212 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.175 -10.590 -11.457 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.225 -6.265 -13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.200 -9.369 -10.795 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.820 -6.097 -11.874 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.345 -6.883 -13.763 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.109 -5.831 -14.733 1.00 0.00 C ATOM 1243 C GLY A 84 -2.974 -6.160 -15.682 1.00 0.00 C ATOM 1244 O GLY A 84 -2.906 -5.626 -16.789 1.00 0.00 O ATOM 0 H GLY A 84 -4.145 -6.627 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.020 -5.659 -15.307 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.883 -4.902 -14.209 1.00 0.00 H new ATOM 1248 N SER A 85 -2.079 -7.042 -15.248 1.00 0.00 N ATOM 1249 CA SER A 85 -0.938 -7.438 -16.065 1.00 0.00 C ATOM 1250 C SER A 85 -1.384 -7.822 -17.473 1.00 0.00 C ATOM 1251 O SER A 85 -1.136 -7.094 -18.434 1.00 0.00 O ATOM 1252 CB SER A 85 -0.201 -8.610 -15.415 1.00 0.00 C ATOM 1253 OG SER A 85 0.669 -8.161 -14.390 1.00 0.00 O ATOM 0 H SER A 85 -2.122 -7.496 -14.335 1.00 0.00 H new ATOM 0 HA SER A 85 -0.261 -6.586 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.924 -9.313 -15.001 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.370 -9.149 -16.171 1.00 0.00 H new ATOM 0 HG SER A 85 1.127 -8.929 -13.989 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.044 -8.970 -17.585 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.525 -9.452 -18.875 1.00 0.00 C ATOM 1261 C ARG A 86 -3.638 -8.556 -19.409 1.00 0.00 C ATOM 1262 O ARG A 86 -3.637 -8.179 -20.580 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.029 -10.891 -18.750 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.065 -11.080 -17.654 1.00 0.00 C ATOM 1265 CD ARG A 86 -5.476 -11.113 -18.220 1.00 0.00 C ATOM 1266 NE ARG A 86 -6.053 -12.453 -18.172 1.00 0.00 N ATOM 1267 CZ ARG A 86 -6.409 -13.060 -17.045 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -6.247 -12.450 -15.880 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -6.928 -14.281 -17.083 1.00 0.00 N ATOM 0 H ARG A 86 -2.258 -9.584 -16.799 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.692 -9.426 -19.578 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.459 -11.200 -19.702 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.182 -11.548 -18.555 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.865 -12.008 -17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.981 -10.270 -16.929 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.108 -10.426 -17.658 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.461 -10.761 -19.252 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.190 -12.951 -19.052 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.848 -11.512 -15.847 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.521 -12.919 -15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.054 -14.754 -17.978 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.201 -14.746 -16.217 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.588 -8.219 -18.542 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.694 -7.371 -18.945 1.00 0.00 C ATOM 1285 C GLY A 87 -6.418 -7.903 -20.166 1.00 0.00 C ATOM 1286 O GLY A 87 -6.224 -9.054 -20.559 1.00 0.00 O ATOM 0 H GLY A 87 -4.611 -8.518 -17.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.399 -7.282 -18.119 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.321 -6.369 -19.156 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.256 -7.066 -20.768 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.013 -7.459 -21.951 1.00 0.00 C ATOM 1292 C HIS A 88 -8.343 -6.245 -22.814 1.00 0.00 C ATOM 1293 O HIS A 88 -8.390 -5.110 -22.339 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.301 -8.175 -21.544 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.151 -9.661 -21.430 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.608 -10.441 -22.430 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.474 -10.510 -20.426 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.606 -11.705 -22.046 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.126 -11.774 -20.834 1.00 0.00 N ATOM 0 H HIS A 88 -7.428 -6.110 -20.456 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.396 -8.141 -22.536 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.641 -7.778 -20.587 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.078 -7.952 -22.276 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.922 -10.243 -19.480 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.241 -12.540 -22.625 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.249 -12.628 -20.289 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.576 -6.487 -24.112 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.904 -5.426 -25.069 1.00 0.00 C ATOM 1309 C PRO A 89 -10.291 -4.838 -24.829 1.00 0.00 C ATOM 1310 O PRO A 89 -11.300 -5.531 -24.956 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.853 -6.139 -26.422 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.129 -7.569 -26.107 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.536 -7.815 -24.747 1.00 0.00 C ATOM 0 HA PRO A 89 -8.219 -4.582 -24.991 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.595 -5.735 -27.111 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.879 -6.019 -26.896 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.200 -7.769 -26.108 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.682 -8.226 -26.853 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.114 -8.548 -24.183 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.517 -8.197 -24.816 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.333 -3.556 -24.480 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.602 -2.897 -24.229 1.00 0.00 C ATOM 1323 C GLY A 90 -12.153 -3.209 -22.851 1.00 0.00 C ATOM 1324 O GLY A 90 -13.294 -2.867 -22.540 1.00 0.00 O ATOM 0 H GLY A 90 -9.512 -2.962 -24.367 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.475 -1.819 -24.331 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.324 -3.206 -24.985 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.342 -3.860 -22.024 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.755 -4.219 -20.673 1.00 0.00 C ATOM 1330 C VAL A 91 -10.714 -3.786 -19.647 1.00 0.00 C ATOM 1331 O VAL A 91 -11.011 -3.016 -18.733 1.00 0.00 O ATOM 1332 CB VAL A 91 -11.991 -5.735 -20.541 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.522 -6.075 -19.158 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.944 -6.222 -21.622 1.00 0.00 C ATOM 0 H VAL A 91 -10.394 -4.150 -22.266 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.691 -3.696 -20.479 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.037 -6.246 -20.673 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.682 -7.151 -19.084 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.799 -5.763 -18.404 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.466 -5.555 -18.993 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.099 -7.295 -21.513 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.899 -5.706 -21.525 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.518 -6.015 -22.603 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.493 -4.287 -19.804 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.407 -3.950 -18.891 1.00 0.00 C ATOM 1346 C ILE A 92 -7.144 -3.571 -19.657 1.00 0.00 C ATOM 1347 O ILE A 92 -6.741 -4.239 -20.609 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.087 -5.120 -17.942 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.312 -5.468 -17.095 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.902 -4.772 -17.053 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.123 -6.699 -16.236 1.00 0.00 C ATOM 0 H ILE A 92 -9.231 -4.927 -20.554 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.742 -3.096 -18.302 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.823 -5.992 -18.540 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.553 -4.620 -16.453 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.167 -5.622 -17.753 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.688 -5.609 -16.388 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.029 -4.569 -17.673 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.139 -3.889 -16.460 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.031 -6.886 -15.663 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.913 -7.558 -16.873 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.289 -6.541 -15.552 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.503 -2.472 -19.232 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.274 -1.980 -19.861 1.00 0.00 C ATOM 1365 C PRO A 93 -4.082 -2.896 -19.602 1.00 0.00 C ATOM 1366 O PRO A 93 -4.072 -3.689 -18.661 1.00 0.00 O ATOM 1367 CB PRO A 93 -5.056 -0.618 -19.197 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.745 -0.724 -17.881 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.927 -1.627 -18.103 1.00 0.00 C ATOM 0 HA PRO A 93 -5.364 -1.931 -20.946 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.995 -0.404 -19.072 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.475 0.188 -19.800 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.078 -1.134 -17.123 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.064 0.257 -17.528 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.150 -2.222 -17.217 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.827 -1.060 -18.341 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.053 -2.785 -20.456 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.837 -3.595 -20.338 1.00 0.00 C ATOM 1379 C PRO A 94 -0.999 -3.210 -19.124 1.00 0.00 C ATOM 1380 O PRO A 94 -0.292 -2.203 -19.141 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.079 -3.285 -21.632 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.562 -1.937 -22.040 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.998 -1.860 -21.600 1.00 0.00 C ATOM 0 HA PRO A 94 -2.063 -4.653 -20.202 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.001 -3.287 -21.470 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.287 -4.029 -22.401 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.968 -1.152 -21.572 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.477 -1.802 -23.118 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.276 -0.846 -21.311 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.679 -2.163 -22.395 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.083 -4.018 -18.072 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.332 -3.761 -16.849 1.00 0.00 C ATOM 1393 C ASN A 95 -0.485 -2.307 -16.412 1.00 0.00 C ATOM 1394 O ASN A 95 0.496 -1.570 -16.318 1.00 0.00 O ATOM 1395 CB ASN A 95 1.148 -4.089 -17.057 1.00 0.00 C ATOM 1396 CG ASN A 95 1.355 -5.238 -18.024 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.476 -6.394 -17.616 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.398 -4.925 -19.314 1.00 0.00 N ATOM 0 H ASN A 95 -1.664 -4.856 -18.042 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.733 -4.402 -16.064 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.664 -3.205 -17.432 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.600 -4.339 -16.097 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.536 -5.656 -20.012 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.293 -3.954 -19.607 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.722 -1.903 -16.145 1.00 0.00 N ATOM 1406 CA ALA A 96 -2.004 -0.539 -15.714 1.00 0.00 C ATOM 1407 C ALA A 96 -2.854 -0.527 -14.448 1.00 0.00 C ATOM 1408 O ALA A 96 -3.809 -1.294 -14.321 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.700 0.232 -16.826 1.00 0.00 C ATOM 0 H ALA A 96 -2.545 -2.501 -16.219 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.055 -0.053 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.905 1.249 -16.491 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.057 0.262 -17.705 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.638 -0.262 -17.079 1.00 0.00 H new ATOM 1415 N THR A 97 -2.499 0.347 -13.511 1.00 0.00 N ATOM 1416 CA THR A 97 -3.228 0.457 -12.254 1.00 0.00 C ATOM 1417 C THR A 97 -4.713 0.700 -12.498 1.00 0.00 C ATOM 1418 O THR A 97 -5.094 1.346 -13.475 1.00 0.00 O ATOM 1419 CB THR A 97 -2.670 1.596 -11.379 1.00 0.00 C ATOM 1420 OG1 THR A 97 -3.098 1.427 -10.023 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.129 2.950 -11.897 1.00 0.00 C ATOM 0 H THR A 97 -1.711 0.989 -13.599 1.00 0.00 H new ATOM 0 HA THR A 97 -3.099 -0.490 -11.731 1.00 0.00 H new ATOM 0 HB THR A 97 -1.582 1.558 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.665 0.630 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.723 3.739 -11.264 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.776 3.087 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.218 2.996 -11.880 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.547 0.180 -11.604 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.992 0.342 -11.722 1.00 0.00 C ATOM 1431 C LEU A 98 -7.612 0.698 -10.375 1.00 0.00 C ATOM 1432 O LEU A 98 -7.024 0.446 -9.322 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.626 -0.940 -12.266 1.00 0.00 C ATOM 1434 CG LEU A 98 -7.215 -1.343 -13.682 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -7.687 -2.755 -13.993 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -7.770 -0.357 -14.700 1.00 0.00 C ATOM 0 H LEU A 98 -5.248 -0.357 -10.790 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.186 1.159 -12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.379 -1.759 -11.590 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.710 -0.824 -12.243 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.127 -1.324 -13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.385 -3.025 -15.005 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.241 -3.452 -13.284 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.773 -2.801 -13.913 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.467 -0.660 -15.702 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.858 -0.344 -14.638 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.383 0.640 -14.490 1.00 0.00 H new ATOM 1448 N THR A 99 -8.805 1.283 -10.414 1.00 0.00 N ATOM 1449 CA THR A 99 -9.506 1.672 -9.197 1.00 0.00 C ATOM 1450 C THR A 99 -10.919 1.102 -9.170 1.00 0.00 C ATOM 1451 O THR A 99 -11.821 1.620 -9.830 1.00 0.00 O ATOM 1452 CB THR A 99 -9.580 3.204 -9.057 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.306 3.786 -9.357 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.004 3.599 -7.651 1.00 0.00 C ATOM 0 H THR A 99 -9.306 1.498 -11.276 1.00 0.00 H new ATOM 0 HA THR A 99 -8.937 1.265 -8.361 1.00 0.00 H new ATOM 0 HB THR A 99 -10.324 3.575 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.362 4.760 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.049 4.686 -7.576 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.987 3.179 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.280 3.216 -6.932 1.00 0.00 H new ATOM 1462 N PHE A 100 -11.107 0.033 -8.403 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.412 -0.608 -8.291 1.00 0.00 C ATOM 1464 C PHE A 100 -13.098 -0.218 -6.985 1.00 0.00 C ATOM 1465 O PHE A 100 -12.573 -0.461 -5.899 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.265 -2.129 -8.369 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.700 -2.611 -9.674 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.330 -2.658 -9.876 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.539 -3.015 -10.700 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.807 -3.101 -11.076 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.021 -3.459 -11.902 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.653 -3.501 -12.091 1.00 0.00 C ATOM 0 H PHE A 100 -10.372 -0.408 -7.850 1.00 0.00 H new ATOM 0 HA PHE A 100 -13.030 -0.267 -9.122 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.621 -2.466 -7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.241 -2.589 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.663 -2.345 -9.086 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.609 -2.983 -10.559 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.737 -3.134 -11.220 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.685 -3.773 -12.693 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.247 -3.846 -13.030 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.275 0.388 -7.101 1.00 0.00 N ATOM 1483 CA ASP A 101 -15.035 0.812 -5.930 1.00 0.00 C ATOM 1484 C ASP A 101 -15.552 -0.394 -5.152 1.00 0.00 C ATOM 1485 O ASP A 101 -16.405 -1.138 -5.636 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.204 1.703 -6.351 1.00 0.00 C ATOM 1487 CG ASP A 101 -16.396 2.884 -5.420 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -16.677 2.658 -4.224 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.264 4.035 -5.886 1.00 0.00 O ATOM 0 H ASP A 101 -14.723 0.597 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.369 1.381 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.033 2.067 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -17.119 1.110 -6.375 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.028 -0.582 -3.945 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.436 -1.697 -3.100 1.00 0.00 C ATOM 1496 C VAL A 102 -16.337 -1.225 -1.964 1.00 0.00 C ATOM 1497 O VAL A 102 -16.004 -0.283 -1.246 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.217 -2.426 -2.504 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.658 -3.656 -1.725 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.235 -2.805 -3.603 1.00 0.00 C ATOM 0 H VAL A 102 -14.320 0.024 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.989 -2.389 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.713 -1.750 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.783 -4.158 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.321 -3.355 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.187 -4.338 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.379 -3.319 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.727 -3.464 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.894 -1.904 -4.113 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.479 -1.888 -1.807 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.428 -1.535 -0.758 1.00 0.00 C ATOM 1512 C GLU A 103 -18.856 -2.772 0.027 1.00 0.00 C ATOM 1513 O GLU A 103 -19.531 -3.655 -0.503 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.656 -0.849 -1.360 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.769 -0.601 -0.355 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.016 -0.023 -0.996 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.121 -0.071 -2.239 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.886 0.476 -0.253 1.00 0.00 O ATOM 0 H GLU A 103 -17.769 -2.671 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.934 -0.845 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.353 0.103 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.043 -1.463 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.021 -1.538 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.412 0.082 0.416 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.457 -2.828 1.293 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.798 -3.957 2.153 1.00 0.00 C ATOM 1527 C LEU A 104 -20.304 -4.026 2.389 1.00 0.00 C ATOM 1528 O LEU A 104 -20.938 -3.024 2.722 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.066 -3.843 3.491 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.681 -5.163 4.159 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.866 -6.116 4.181 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.497 -5.798 3.444 1.00 0.00 C ATOM 0 H LEU A 104 -17.898 -2.106 1.747 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.485 -4.872 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.159 -3.258 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.696 -3.280 4.180 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.389 -4.955 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.573 -7.050 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.686 -5.664 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.189 -6.318 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.237 -6.737 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.761 -5.992 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.644 -5.121 3.481 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.870 -5.215 2.215 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.301 -5.417 2.411 1.00 0.00 C ATOM 1546 C LEU A 105 -22.564 -6.324 3.609 1.00 0.00 C ATOM 1547 O LEU A 105 -23.403 -6.021 4.457 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.928 -6.020 1.153 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.796 -5.077 0.318 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -22.933 -4.049 -0.396 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.629 -5.865 -0.682 1.00 0.00 C ATOM 0 H LEU A 105 -20.360 -6.054 1.939 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.756 -4.446 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.127 -6.401 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.536 -6.875 1.448 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.474 -4.548 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.568 -3.387 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.381 -3.463 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.230 -4.559 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.240 -5.178 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -23.969 -6.421 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.276 -6.561 -0.148 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.840 -7.437 3.672 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.995 -8.388 4.767 1.00 0.00 C ATOM 1565 C ARG A 106 -20.695 -9.147 5.015 1.00 0.00 C ATOM 1566 O ARG A 106 -19.786 -9.130 4.186 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.123 -9.374 4.458 1.00 0.00 C ATOM 1568 CG ARG A 106 -24.500 -8.733 4.419 1.00 0.00 C ATOM 1569 CD ARG A 106 -25.567 -9.728 3.990 1.00 0.00 C ATOM 1570 NE ARG A 106 -26.902 -9.138 4.001 1.00 0.00 N ATOM 1571 CZ ARG A 106 -28.003 -9.803 3.669 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.927 -11.075 3.302 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -29.182 -9.197 3.703 1.00 0.00 N ATOM 0 H ARG A 106 -21.141 -7.702 2.978 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.247 -7.829 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -22.926 -9.849 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.120 -10.163 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.746 -8.337 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -24.490 -7.889 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -25.340 -10.093 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.547 -10.591 4.656 1.00 0.00 H new ATOM 0 HE ARG A 106 -26.995 -8.161 4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -27.022 -11.545 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -28.774 -11.584 3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -29.245 -8.219 3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -30.026 -9.709 3.448 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.614 -9.811 6.164 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.426 -10.576 6.522 1.00 0.00 C ATOM 1589 C VAL A 107 -19.794 -11.988 6.964 1.00 0.00 C ATOM 1590 O VAL A 107 -20.788 -12.191 7.660 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.633 -9.888 7.649 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.521 -9.658 8.863 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.410 -10.713 8.021 1.00 0.00 C ATOM 0 H VAL A 107 -21.357 -9.834 6.862 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.803 -10.628 5.629 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.292 -8.917 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.944 -9.171 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.362 -9.023 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.895 -10.615 9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.862 -10.212 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.726 -11.699 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.765 -10.820 7.149 1.00 0.00 H new ATOM 1603 N GLU A 108 -18.985 -12.960 6.554 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.227 -14.354 6.908 1.00 0.00 C ATOM 1605 C GLU A 108 -17.914 -15.080 7.189 1.00 0.00 C ATOM 1606 O GLU A 108 -17.375 -15.765 6.321 1.00 0.00 O ATOM 1607 CB GLU A 108 -19.985 -15.064 5.785 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.200 -14.298 5.291 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.325 -14.271 6.308 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.341 -15.148 7.197 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.189 -13.375 6.214 1.00 0.00 O ATOM 0 H GLU A 108 -18.158 -12.808 5.977 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.833 -14.372 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.306 -15.230 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.303 -16.045 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -20.908 -13.276 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.560 -14.752 4.368 1.00 0.00 H new