USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 119:sc= 0.269 USER MOD Set 1.2: A 34 HIS :FLIP no HD1:sc= -4.51! C(o=-14!,f=-6.7!) USER MOD Set 1.3: A 37 THR OG1 : rot 129:sc= 0.116 USER MOD Set 1.4: A 86 CYS SG : rot 33:sc= 0.0961 USER MOD Set 1.5: A 88 SER OG : rot 154:sc= -2.74! USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.0192 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 165:sc= -8.99! USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0315 USER MOD Single : A 40 SER OG : rot -67:sc= 0.35 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.139 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= -0.229 (180deg=-1.22!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -130:sc= -0.657 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.591 -1.670 -5.169 1.00 0.00 N ATOM 29 CA ALA A 18 3.799 -1.576 -5.972 1.00 0.00 C ATOM 30 C ALA A 18 4.614 -2.860 -5.811 1.00 0.00 C ATOM 31 O ALA A 18 5.020 -3.470 -6.800 1.00 0.00 O ATOM 32 CB ALA A 18 4.587 -0.330 -5.563 1.00 0.00 C ATOM 0 HA ALA A 18 3.551 -1.473 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.493 -0.259 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.974 0.557 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.856 -0.399 -4.509 1.00 0.00 H new ATOM 38 N VAL A 19 4.830 -3.234 -4.558 1.00 0.00 N ATOM 39 CA VAL A 19 5.590 -4.435 -4.256 1.00 0.00 C ATOM 40 C VAL A 19 4.866 -5.651 -4.837 1.00 0.00 C ATOM 41 O VAL A 19 5.464 -6.448 -5.558 1.00 0.00 O ATOM 42 CB VAL A 19 5.822 -4.541 -2.747 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.526 -4.900 -2.017 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.927 -5.551 -2.433 1.00 0.00 C ATOM 0 H VAL A 19 4.492 -2.726 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 19 6.575 -4.391 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 19 6.148 -3.565 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.719 -4.969 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.778 -4.129 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.156 -5.858 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.072 -5.608 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.642 -6.532 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.855 -5.234 -2.908 1.00 0.00 H new ATOM 54 N TYR A 20 3.588 -5.755 -4.500 1.00 0.00 N ATOM 55 CA TYR A 20 2.776 -6.861 -4.979 1.00 0.00 C ATOM 56 C TYR A 20 2.897 -7.013 -6.497 1.00 0.00 C ATOM 57 O TYR A 20 2.776 -8.117 -7.025 1.00 0.00 O ATOM 58 CB TYR A 20 1.330 -6.505 -4.628 1.00 0.00 C ATOM 59 CG TYR A 20 0.824 -7.158 -3.340 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.724 -7.602 -2.392 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.531 -7.303 -3.126 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.248 -8.217 -1.180 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.008 -7.918 -1.914 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.095 -8.344 -1.001 1.00 0.00 C ATOM 65 OH TYR A 20 -0.544 -8.924 0.144 1.00 0.00 O ATOM 0 H TYR A 20 3.096 -5.092 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 20 3.098 -7.798 -4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.246 -5.423 -4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.683 -6.803 -5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.785 -7.488 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.235 -6.955 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.941 -8.569 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.066 -8.038 -1.735 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.524 -8.947 0.137 1.00 0.00 H new ATOM 75 N ILE A 21 3.135 -5.888 -7.155 1.00 0.00 N ATOM 76 CA ILE A 21 3.274 -5.882 -8.601 1.00 0.00 C ATOM 77 C ILE A 21 4.639 -6.459 -8.981 1.00 0.00 C ATOM 78 O ILE A 21 4.727 -7.353 -9.821 1.00 0.00 O ATOM 79 CB ILE A 21 3.023 -4.479 -9.158 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.639 -4.385 -9.803 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.135 -4.066 -10.124 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.533 -5.315 -11.013 1.00 0.00 C ATOM 0 H ILE A 21 3.235 -4.974 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 21 2.519 -6.521 -9.058 1.00 0.00 H new ATOM 0 HB ILE A 21 3.040 -3.773 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.874 -4.646 -9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.447 -3.357 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.932 -3.065 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.091 -4.068 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.175 -4.770 -10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.539 -5.228 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.283 -5.036 -11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.701 -6.344 -10.697 1.00 0.00 H new ATOM 94 N ALA A 22 5.670 -5.924 -8.343 1.00 0.00 N ATOM 95 CA ALA A 22 7.027 -6.375 -8.603 1.00 0.00 C ATOM 96 C ALA A 22 7.080 -7.901 -8.508 1.00 0.00 C ATOM 97 O ALA A 22 7.796 -8.549 -9.270 1.00 0.00 O ATOM 98 CB ALA A 22 7.987 -5.696 -7.624 1.00 0.00 C ATOM 0 H ALA A 22 5.593 -5.183 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 22 7.338 -6.097 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.005 -6.034 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.933 -4.615 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.708 -5.955 -6.603 1.00 0.00 H new ATOM 104 N ILE A 23 6.312 -8.430 -7.568 1.00 0.00 N ATOM 105 CA ILE A 23 6.262 -9.868 -7.363 1.00 0.00 C ATOM 106 C ILE A 23 5.311 -10.492 -8.387 1.00 0.00 C ATOM 107 O ILE A 23 5.517 -11.624 -8.822 1.00 0.00 O ATOM 108 CB ILE A 23 5.900 -10.191 -5.912 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.384 -10.168 -5.707 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.624 -9.252 -4.945 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.984 -10.995 -4.484 1.00 0.00 C ATOM 0 H ILE A 23 5.719 -7.889 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 23 7.245 -10.310 -7.528 1.00 0.00 H new ATOM 0 HB ILE A 23 6.239 -11.203 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.046 -9.139 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.887 -10.561 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.349 -9.503 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.701 -9.362 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.338 -8.222 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.901 -10.962 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.302 -12.028 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.463 -10.585 -3.595 1.00 0.00 H new ATOM 123 N GLU A 24 4.291 -9.725 -8.743 1.00 0.00 N ATOM 124 CA GLU A 24 3.308 -10.189 -9.708 1.00 0.00 C ATOM 125 C GLU A 24 3.911 -10.204 -11.114 1.00 0.00 C ATOM 126 O GLU A 24 3.329 -10.773 -12.037 1.00 0.00 O ATOM 127 CB GLU A 24 2.046 -9.326 -9.662 1.00 0.00 C ATOM 128 CG GLU A 24 0.987 -9.852 -10.633 1.00 0.00 C ATOM 129 CD GLU A 24 1.184 -9.262 -12.031 1.00 0.00 C ATOM 130 OE1 GLU A 24 2.125 -8.484 -12.249 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.317 -9.638 -12.909 1.00 0.00 O ATOM 0 H GLU A 24 4.124 -8.786 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 24 3.022 -11.208 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.644 -9.317 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.296 -8.296 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.042 -10.940 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.007 -9.599 -10.264 1.00 0.00 H new ATOM 139 N ALA A 25 5.069 -9.572 -11.234 1.00 0.00 N ATOM 140 CA ALA A 25 5.757 -9.506 -12.512 1.00 0.00 C ATOM 141 C ALA A 25 6.168 -10.917 -12.939 1.00 0.00 C ATOM 142 O ALA A 25 6.536 -11.138 -14.091 1.00 0.00 O ATOM 143 CB ALA A 25 6.954 -8.559 -12.399 1.00 0.00 C ATOM 0 H ALA A 25 5.548 -9.101 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 25 5.097 -9.108 -13.283 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.470 -8.509 -13.358 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.606 -7.564 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.640 -8.928 -11.636 1.00 0.00 H new ATOM 149 N GLY A 26 6.091 -11.835 -11.986 1.00 0.00 N ATOM 150 CA GLY A 26 6.451 -13.218 -12.249 1.00 0.00 C ATOM 151 C GLY A 26 7.519 -13.703 -11.267 1.00 0.00 C ATOM 152 O GLY A 26 8.402 -14.476 -11.636 1.00 0.00 O ATOM 0 H GLY A 26 5.785 -11.648 -11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.566 -13.849 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.821 -13.313 -13.270 1.00 0.00 H new ATOM 156 N THR A 27 7.403 -13.230 -10.035 1.00 0.00 N ATOM 157 CA THR A 27 8.347 -13.606 -8.997 1.00 0.00 C ATOM 158 C THR A 27 7.807 -14.785 -8.186 1.00 0.00 C ATOM 159 O THR A 27 8.575 -15.620 -7.711 1.00 0.00 O ATOM 160 CB THR A 27 8.635 -12.366 -8.148 1.00 0.00 C ATOM 161 OG1 THR A 27 10.033 -12.443 -7.883 1.00 0.00 O ATOM 162 CG2 THR A 27 7.988 -12.442 -6.763 1.00 0.00 C ATOM 0 H THR A 27 6.669 -12.589 -9.732 1.00 0.00 H new ATOM 0 HA THR A 27 9.288 -13.951 -9.425 1.00 0.00 H new ATOM 0 HB THR A 27 8.276 -11.478 -8.669 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.353 -11.576 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.223 -11.538 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.907 -12.531 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.372 -13.311 -6.229 1.00 0.00 H new ATOM 170 N LEU A 28 6.489 -14.817 -8.054 1.00 0.00 N ATOM 171 CA LEU A 28 5.837 -15.880 -7.309 1.00 0.00 C ATOM 172 C LEU A 28 4.861 -16.617 -8.229 1.00 0.00 C ATOM 173 O LEU A 28 4.508 -16.115 -9.295 1.00 0.00 O ATOM 174 CB LEU A 28 5.186 -15.325 -6.040 1.00 0.00 C ATOM 175 CG LEU A 28 6.011 -15.442 -4.757 1.00 0.00 C ATOM 176 CD1 LEU A 28 6.684 -14.112 -4.414 1.00 0.00 C ATOM 177 CD2 LEU A 28 5.157 -15.967 -3.602 1.00 0.00 C ATOM 0 H LEU A 28 5.855 -14.123 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 28 6.570 -16.611 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.954 -14.273 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.238 -15.840 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 28 6.805 -16.169 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.264 -14.223 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.346 -13.818 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.923 -13.345 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.768 -16.041 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.328 -15.283 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.766 -16.952 -3.857 1.00 0.00 H new ATOM 189 N ALA A 29 4.452 -17.796 -7.783 1.00 0.00 N ATOM 190 CA ALA A 29 3.524 -18.606 -8.552 1.00 0.00 C ATOM 191 C ALA A 29 2.331 -18.983 -7.672 1.00 0.00 C ATOM 192 O ALA A 29 2.506 -19.403 -6.529 1.00 0.00 O ATOM 193 CB ALA A 29 4.253 -19.834 -9.102 1.00 0.00 C ATOM 0 H ALA A 29 4.747 -18.209 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 29 3.141 -18.045 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.557 -20.442 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.073 -19.513 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.649 -20.423 -8.275 1.00 0.00 H new ATOM 199 N GLU A 30 1.144 -18.817 -8.237 1.00 0.00 N ATOM 200 CA GLU A 30 -0.078 -19.134 -7.517 1.00 0.00 C ATOM 201 C GLU A 30 -1.165 -19.591 -8.492 1.00 0.00 C ATOM 202 O GLU A 30 -1.195 -19.156 -9.642 1.00 0.00 O ATOM 203 CB GLU A 30 -0.552 -17.939 -6.689 1.00 0.00 C ATOM 204 CG GLU A 30 -0.564 -16.660 -7.528 1.00 0.00 C ATOM 205 CD GLU A 30 0.725 -15.861 -7.328 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.623 -16.305 -6.598 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.776 -14.740 -7.965 1.00 0.00 O ATOM 0 H GLU A 30 1.002 -18.467 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 30 0.132 -19.952 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.552 -18.134 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.102 -17.807 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.679 -16.913 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.422 -16.048 -7.252 1.00 0.00 H new ATOM 215 N CYS A 31 -2.031 -20.463 -7.997 1.00 0.00 N ATOM 216 CA CYS A 31 -3.117 -20.984 -8.810 1.00 0.00 C ATOM 217 C CYS A 31 -4.261 -19.969 -8.791 1.00 0.00 C ATOM 218 O CYS A 31 -4.561 -19.387 -7.750 1.00 0.00 O ATOM 219 CB CYS A 31 -3.570 -22.365 -8.331 1.00 0.00 C ATOM 220 SG CYS A 31 -2.306 -23.619 -8.750 1.00 0.00 S ATOM 0 H CYS A 31 -2.003 -20.822 -7.043 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.773 -21.123 -9.835 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.735 -22.349 -7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.521 -22.626 -8.795 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.866 -24.172 -7.659 1.00 0.00 H new ATOM 225 N GLU A 32 -4.868 -19.787 -9.955 1.00 0.00 N ATOM 226 CA GLU A 32 -5.973 -18.852 -10.085 1.00 0.00 C ATOM 227 C GLU A 32 -7.308 -19.596 -10.020 1.00 0.00 C ATOM 228 O GLU A 32 -8.335 -19.074 -10.450 1.00 0.00 O ATOM 229 CB GLU A 32 -5.858 -18.044 -11.379 1.00 0.00 C ATOM 230 CG GLU A 32 -6.090 -18.933 -12.602 1.00 0.00 C ATOM 231 CD GLU A 32 -4.779 -19.562 -13.080 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.792 -20.663 -13.649 1.00 0.00 O ATOM 233 OE2 GLU A 32 -3.721 -18.864 -12.841 1.00 0.00 O ATOM 0 H GLU A 32 -4.615 -20.271 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.930 -18.150 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.586 -17.233 -11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.871 -17.586 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.805 -19.718 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.529 -18.343 -13.407 1.00 0.00 H new ATOM 241 N VAL A 33 -7.251 -20.804 -9.478 1.00 0.00 N ATOM 242 CA VAL A 33 -8.443 -21.625 -9.351 1.00 0.00 C ATOM 243 C VAL A 33 -8.876 -21.665 -7.884 1.00 0.00 C ATOM 244 O VAL A 33 -10.067 -21.735 -7.586 1.00 0.00 O ATOM 245 CB VAL A 33 -8.186 -23.015 -9.936 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.740 -23.453 -9.694 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.172 -24.039 -9.370 1.00 0.00 C ATOM 0 H VAL A 33 -6.397 -21.234 -9.122 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.266 -21.194 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.343 -22.960 -11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.584 -24.444 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.061 -22.744 -10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.544 -23.483 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.967 -25.019 -9.802 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.062 -24.090 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.190 -23.739 -9.617 1.00 0.00 H new ATOM 257 N HIS A 34 -7.884 -21.618 -7.006 1.00 0.00 N ATOM 258 CA HIS A 34 -8.147 -21.648 -5.577 1.00 0.00 C ATOM 259 C HIS A 34 -7.305 -20.580 -4.878 1.00 0.00 C ATOM 260 O HIS A 34 -6.133 -20.806 -4.578 1.00 0.00 O ATOM 261 CB HIS A 34 -7.916 -23.051 -5.012 1.00 0.00 C ATOM 262 CG HIS A 34 -6.687 -23.738 -5.559 1.00 0.00 C ATOM 263 ND1 HIS A 34 -5.402 -23.761 -5.104 1.00 0.00 N flip ATOM 264 CD2 HIS A 34 -6.710 -24.511 -6.707 1.00 0.00 C flip ATOM 265 CE1 HIS A 34 -4.678 -24.508 -5.929 1.00 0.00 C flip ATOM 266 NE2 HIS A 34 -5.487 -24.973 -6.924 1.00 0.00 N flip ATOM 0 H HIS A 34 -6.897 -21.559 -7.257 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.195 -21.413 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.831 -22.985 -3.927 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.790 -23.666 -5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.577 -24.705 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.622 -24.714 -5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.201 -25.571 -7.699 1.00 0.00 H new ATOM 274 N GLU A 35 -7.934 -19.439 -4.638 1.00 0.00 N ATOM 275 CA GLU A 35 -7.257 -18.335 -3.979 1.00 0.00 C ATOM 276 C GLU A 35 -6.890 -18.718 -2.544 1.00 0.00 C ATOM 277 O GLU A 35 -7.623 -19.457 -1.888 1.00 0.00 O ATOM 278 CB GLU A 35 -8.117 -17.070 -4.006 1.00 0.00 C ATOM 279 CG GLU A 35 -9.414 -17.272 -3.220 1.00 0.00 C ATOM 280 CD GLU A 35 -10.131 -15.939 -2.994 1.00 0.00 C ATOM 281 OE1 GLU A 35 -10.687 -15.365 -3.942 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.098 -15.502 -1.781 1.00 0.00 O ATOM 0 H GLU A 35 -8.906 -19.255 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.337 -18.121 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.557 -16.236 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.350 -16.806 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.069 -17.954 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.193 -17.738 -2.260 1.00 0.00 H new ATOM 290 N GLY A 36 -5.756 -18.198 -2.098 1.00 0.00 N ATOM 291 CA GLY A 36 -5.283 -18.477 -0.753 1.00 0.00 C ATOM 292 C GLY A 36 -4.047 -19.379 -0.782 1.00 0.00 C ATOM 293 O GLY A 36 -3.195 -19.299 0.102 1.00 0.00 O ATOM 0 H GLY A 36 -5.151 -17.585 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.043 -17.542 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.075 -18.957 -0.178 1.00 0.00 H new ATOM 297 N THR A 37 -3.990 -20.217 -1.806 1.00 0.00 N ATOM 298 CA THR A 37 -2.873 -21.134 -1.961 1.00 0.00 C ATOM 299 C THR A 37 -1.846 -20.562 -2.940 1.00 0.00 C ATOM 300 O THR A 37 -2.139 -20.390 -4.123 1.00 0.00 O ATOM 301 CB THR A 37 -3.432 -22.491 -2.392 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.840 -22.358 -2.218 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.043 -23.616 -1.430 1.00 0.00 C ATOM 0 H THR A 37 -4.699 -20.281 -2.537 1.00 0.00 H new ATOM 0 HA THR A 37 -2.339 -21.270 -1.020 1.00 0.00 H new ATOM 0 HB THR A 37 -3.074 -22.729 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.299 -22.637 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.465 -24.558 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.957 -23.699 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.430 -23.394 -0.435 1.00 0.00 H new ATOM 311 N TYR A 38 -0.664 -20.282 -2.412 1.00 0.00 N ATOM 312 CA TYR A 38 0.408 -19.733 -3.224 1.00 0.00 C ATOM 313 C TYR A 38 1.710 -20.507 -3.010 1.00 0.00 C ATOM 314 O TYR A 38 1.769 -21.412 -2.179 1.00 0.00 O ATOM 315 CB TYR A 38 0.602 -18.292 -2.748 1.00 0.00 C ATOM 316 CG TYR A 38 -0.217 -17.263 -3.530 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.588 -17.394 -3.616 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.416 -16.204 -4.149 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.359 -16.425 -4.352 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.355 -15.235 -4.885 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.704 -15.394 -4.950 1.00 0.00 C ATOM 322 OH TYR A 38 -2.432 -14.479 -5.645 1.00 0.00 O ATOM 0 H TYR A 38 -0.425 -20.425 -1.431 1.00 0.00 H new ATOM 0 HA TYR A 38 0.156 -19.794 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.334 -18.229 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.658 -18.034 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.083 -18.223 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.489 -16.102 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.433 -16.515 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.127 -14.401 -5.374 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.833 -13.799 -6.017 1.00 0.00 H new ATOM 332 N PHE A 39 2.722 -20.124 -3.775 1.00 0.00 N ATOM 333 CA PHE A 39 4.019 -20.771 -3.679 1.00 0.00 C ATOM 334 C PHE A 39 5.058 -20.047 -4.538 1.00 0.00 C ATOM 335 O PHE A 39 4.907 -19.953 -5.755 1.00 0.00 O ATOM 336 CB PHE A 39 3.847 -22.198 -4.204 1.00 0.00 C ATOM 337 CG PHE A 39 3.744 -22.292 -5.728 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.552 -22.071 -6.344 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.845 -22.598 -6.466 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.456 -22.158 -7.758 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.749 -22.685 -7.880 1.00 0.00 C ATOM 342 CZ PHE A 39 3.557 -22.464 -8.496 1.00 0.00 C ATOM 0 H PHE A 39 2.670 -19.374 -4.464 1.00 0.00 H new ATOM 0 HA PHE A 39 4.366 -20.756 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.691 -22.802 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.950 -22.631 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.678 -21.829 -5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.791 -22.775 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.510 -21.981 -8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.623 -22.927 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.484 -22.531 -9.571 1.00 0.00 H new ATOM 352 N SER A 40 6.090 -19.552 -3.870 1.00 0.00 N ATOM 353 CA SER A 40 7.153 -18.838 -4.556 1.00 0.00 C ATOM 354 C SER A 40 8.163 -19.833 -5.134 1.00 0.00 C ATOM 355 O SER A 40 8.325 -20.933 -4.608 1.00 0.00 O ATOM 356 CB SER A 40 7.854 -17.856 -3.616 1.00 0.00 C ATOM 357 OG SER A 40 8.760 -17.005 -4.311 1.00 0.00 O ATOM 0 H SER A 40 6.212 -19.632 -2.860 1.00 0.00 H new ATOM 0 HA SER A 40 6.710 -18.265 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.107 -17.249 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.394 -18.411 -2.849 1.00 0.00 H new ATOM 0 HG SER A 40 9.505 -17.537 -4.661 1.00 0.00 H new ATOM 363 N ASP A 41 8.815 -19.410 -6.207 1.00 0.00 N ATOM 364 CA ASP A 41 9.804 -20.249 -6.861 1.00 0.00 C ATOM 365 C ASP A 41 10.606 -21.006 -5.800 1.00 0.00 C ATOM 366 O ASP A 41 11.566 -20.473 -5.245 1.00 0.00 O ATOM 367 CB ASP A 41 10.783 -19.409 -7.683 1.00 0.00 C ATOM 368 CG ASP A 41 11.369 -18.199 -6.952 1.00 0.00 C ATOM 369 OD1 ASP A 41 12.219 -17.477 -7.493 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.911 -18.007 -5.761 1.00 0.00 O ATOM 0 H ASP A 41 8.677 -18.497 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 41 9.277 -20.938 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.603 -20.049 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.274 -19.060 -8.581 1.00 0.00 H new ATOM 376 N SER A 42 10.182 -22.236 -5.550 1.00 0.00 N ATOM 377 CA SER A 42 10.849 -23.071 -4.566 1.00 0.00 C ATOM 378 C SER A 42 12.256 -23.428 -5.049 1.00 0.00 C ATOM 379 O SER A 42 12.440 -23.826 -6.198 1.00 0.00 O ATOM 380 CB SER A 42 10.046 -24.343 -4.287 1.00 0.00 C ATOM 381 OG SER A 42 10.862 -25.386 -3.760 1.00 0.00 O ATOM 0 H SER A 42 9.385 -22.674 -6.012 1.00 0.00 H new ATOM 0 HA SER A 42 10.923 -22.508 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.245 -24.119 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.574 -24.683 -5.209 1.00 0.00 H new ATOM 0 HG SER A 42 10.312 -26.180 -3.594 1.00 0.00 H new ATOM 387 N GLY A 43 13.214 -23.273 -4.147 1.00 0.00 N ATOM 388 CA GLY A 43 14.600 -23.573 -4.467 1.00 0.00 C ATOM 389 C GLY A 43 15.430 -22.292 -4.567 1.00 0.00 C ATOM 390 O GLY A 43 16.623 -22.297 -4.270 1.00 0.00 O ATOM 0 H GLY A 43 13.058 -22.944 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.021 -24.224 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.649 -24.117 -5.410 1.00 0.00 H new ATOM 394 N ASP A 44 14.765 -21.225 -4.986 1.00 0.00 N ATOM 395 CA ASP A 44 15.427 -19.940 -5.129 1.00 0.00 C ATOM 396 C ASP A 44 14.424 -18.820 -4.842 1.00 0.00 C ATOM 397 O ASP A 44 13.837 -18.256 -5.764 1.00 0.00 O ATOM 398 CB ASP A 44 15.955 -19.747 -6.552 1.00 0.00 C ATOM 399 CG ASP A 44 17.312 -19.046 -6.649 1.00 0.00 C ATOM 400 OD1 ASP A 44 18.056 -19.227 -7.624 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.600 -18.277 -5.654 1.00 0.00 O ATOM 0 H ASP A 44 13.775 -21.224 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 44 16.261 -19.911 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.032 -20.723 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.224 -19.171 -7.120 1.00 0.00 H new ATOM 407 N ILE A 45 14.259 -18.532 -3.559 1.00 0.00 N ATOM 408 CA ILE A 45 13.337 -17.490 -3.139 1.00 0.00 C ATOM 409 C ILE A 45 13.927 -16.123 -3.487 1.00 0.00 C ATOM 410 O ILE A 45 13.190 -15.172 -3.743 1.00 0.00 O ATOM 411 CB ILE A 45 12.987 -17.650 -1.658 1.00 0.00 C ATOM 412 CG1 ILE A 45 14.247 -17.620 -0.790 1.00 0.00 C ATOM 413 CG2 ILE A 45 12.160 -18.916 -1.423 1.00 0.00 C ATOM 414 CD1 ILE A 45 14.130 -16.562 0.309 1.00 0.00 C ATOM 0 H ILE A 45 14.748 -19.002 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 45 12.393 -17.576 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 45 12.370 -16.802 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.407 -18.600 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.117 -17.409 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.925 -19.005 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.235 -18.858 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.731 -19.788 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.038 -16.561 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.994 -15.580 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.274 -16.790 0.944 1.00 0.00 H new ATOM 426 N SER A 46 15.251 -16.067 -3.485 1.00 0.00 N ATOM 427 CA SER A 46 15.949 -14.831 -3.798 1.00 0.00 C ATOM 428 C SER A 46 15.841 -14.534 -5.295 1.00 0.00 C ATOM 429 O SER A 46 15.925 -13.379 -5.710 1.00 0.00 O ATOM 430 CB SER A 46 17.417 -14.906 -3.376 1.00 0.00 C ATOM 431 OG SER A 46 17.568 -14.872 -1.960 1.00 0.00 O ATOM 0 H SER A 46 15.859 -16.858 -3.272 1.00 0.00 H new ATOM 0 HA SER A 46 15.479 -14.022 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 17.860 -15.823 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.964 -14.074 -3.819 1.00 0.00 H new ATOM 0 HG SER A 46 18.520 -14.924 -1.731 1.00 0.00 H new ATOM 437 N GLU A 47 15.656 -15.596 -6.065 1.00 0.00 N ATOM 438 CA GLU A 47 15.536 -15.463 -7.507 1.00 0.00 C ATOM 439 C GLU A 47 14.380 -14.524 -7.859 1.00 0.00 C ATOM 440 O GLU A 47 14.417 -13.846 -8.884 1.00 0.00 O ATOM 441 CB GLU A 47 15.353 -16.830 -8.170 1.00 0.00 C ATOM 442 CG GLU A 47 15.042 -16.679 -9.661 1.00 0.00 C ATOM 443 CD GLU A 47 15.276 -17.995 -10.406 1.00 0.00 C ATOM 444 OE1 GLU A 47 16.378 -18.559 -10.336 1.00 0.00 O ATOM 445 OE2 GLU A 47 14.262 -18.430 -11.074 1.00 0.00 O ATOM 0 H GLU A 47 15.586 -16.552 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 47 16.460 -15.030 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.258 -17.424 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.544 -17.371 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.007 -16.363 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.670 -15.898 -10.090 1.00 0.00 H new ATOM 453 N ALA A 48 13.380 -14.516 -6.989 1.00 0.00 N ATOM 454 CA ALA A 48 12.216 -13.672 -7.196 1.00 0.00 C ATOM 455 C ALA A 48 12.612 -12.207 -6.997 1.00 0.00 C ATOM 456 O ALA A 48 12.116 -11.326 -7.698 1.00 0.00 O ATOM 457 CB ALA A 48 11.096 -14.106 -6.248 1.00 0.00 C ATOM 0 H ALA A 48 13.352 -15.080 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 48 11.842 -13.778 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.222 -13.473 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.832 -15.144 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.435 -14.010 -5.216 1.00 0.00 H new ATOM 463 N GLU A 49 13.502 -11.992 -6.040 1.00 0.00 N ATOM 464 CA GLU A 49 13.970 -10.650 -5.741 1.00 0.00 C ATOM 465 C GLU A 49 14.888 -10.147 -6.856 1.00 0.00 C ATOM 466 O GLU A 49 14.865 -8.966 -7.199 1.00 0.00 O ATOM 467 CB GLU A 49 14.679 -10.605 -4.385 1.00 0.00 C ATOM 468 CG GLU A 49 16.194 -10.486 -4.563 1.00 0.00 C ATOM 469 CD GLU A 49 16.918 -10.661 -3.226 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.340 -11.777 -2.891 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.036 -9.584 -2.525 1.00 0.00 O ATOM 0 H GLU A 49 13.912 -12.725 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 49 13.105 -9.990 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.310 -9.759 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.445 -11.506 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.541 -11.239 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.439 -9.513 -4.989 1.00 0.00 H new ATOM 479 N GLU A 50 15.675 -11.069 -7.392 1.00 0.00 N ATOM 480 CA GLU A 50 16.599 -10.734 -8.462 1.00 0.00 C ATOM 481 C GLU A 50 15.836 -10.483 -9.764 1.00 0.00 C ATOM 482 O GLU A 50 15.929 -9.402 -10.344 1.00 0.00 O ATOM 483 CB GLU A 50 17.648 -11.832 -8.645 1.00 0.00 C ATOM 484 CG GLU A 50 18.714 -11.760 -7.550 1.00 0.00 C ATOM 485 CD GLU A 50 19.246 -13.154 -7.210 1.00 0.00 C ATOM 486 OE1 GLU A 50 20.258 -13.588 -7.780 1.00 0.00 O ATOM 487 OE2 GLU A 50 18.569 -13.793 -6.316 1.00 0.00 O ATOM 0 H GLU A 50 15.692 -12.048 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 50 17.123 -9.818 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.165 -12.809 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.119 -11.731 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.536 -11.124 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.292 -11.300 -6.656 1.00 0.00 H new ATOM 495 N LEU A 51 15.097 -11.499 -10.185 1.00 0.00 N ATOM 496 CA LEU A 51 14.318 -11.402 -11.408 1.00 0.00 C ATOM 497 C LEU A 51 13.342 -10.229 -11.294 1.00 0.00 C ATOM 498 O LEU A 51 12.944 -9.649 -12.303 1.00 0.00 O ATOM 499 CB LEU A 51 13.640 -12.738 -11.718 1.00 0.00 C ATOM 500 CG LEU A 51 12.115 -12.760 -11.597 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.563 -14.159 -11.879 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.665 -12.231 -10.234 1.00 0.00 C ATOM 0 H LEU A 51 15.021 -12.394 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 51 14.968 -11.195 -12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.908 -13.032 -12.733 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.049 -13.494 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 51 11.703 -12.092 -12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.477 -14.147 -11.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.838 -14.462 -12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.981 -14.866 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.577 -12.258 -10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.087 -12.853 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.010 -11.205 -10.110 1.00 0.00 H new ATOM 514 N ALA A 52 12.986 -9.915 -10.057 1.00 0.00 N ATOM 515 CA ALA A 52 12.065 -8.822 -9.798 1.00 0.00 C ATOM 516 C ALA A 52 12.776 -7.491 -10.049 1.00 0.00 C ATOM 517 O ALA A 52 12.227 -6.602 -10.699 1.00 0.00 O ATOM 518 CB ALA A 52 11.526 -8.935 -8.371 1.00 0.00 C ATOM 0 H ALA A 52 13.319 -10.399 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 52 11.211 -8.872 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.835 -8.115 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.004 -9.885 -8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.354 -8.886 -7.664 1.00 0.00 H new ATOM 524 N ARG A 53 13.988 -7.395 -9.521 1.00 0.00 N ATOM 525 CA ARG A 53 14.780 -6.188 -9.679 1.00 0.00 C ATOM 526 C ARG A 53 14.981 -5.875 -11.163 1.00 0.00 C ATOM 527 O ARG A 53 14.849 -4.727 -11.583 1.00 0.00 O ATOM 528 CB ARG A 53 16.146 -6.333 -9.006 1.00 0.00 C ATOM 529 CG ARG A 53 17.256 -6.489 -10.047 1.00 0.00 C ATOM 530 CD ARG A 53 18.634 -6.510 -9.381 1.00 0.00 C ATOM 531 NE ARG A 53 18.698 -7.604 -8.386 1.00 0.00 N ATOM 532 CZ ARG A 53 19.833 -8.046 -7.828 1.00 0.00 C ATOM 533 NH1 ARG A 53 21.006 -7.492 -8.165 1.00 0.00 N ATOM 534 NH2 ARG A 53 19.796 -9.043 -6.934 1.00 0.00 N ATOM 0 H ARG A 53 14.440 -8.134 -8.983 1.00 0.00 H new ATOM 0 HA ARG A 53 14.238 -5.371 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.344 -5.459 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.139 -7.199 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.106 -7.411 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.206 -5.668 -10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.409 -6.647 -10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.827 -5.554 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 53 17.823 -8.049 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.035 -6.734 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.870 -7.829 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.904 -9.466 -6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.660 -9.379 -6.509 1.00 0.00 H new ATOM 548 N GLU A 54 15.297 -6.918 -11.917 1.00 0.00 N ATOM 549 CA GLU A 54 15.517 -6.769 -13.346 1.00 0.00 C ATOM 550 C GLU A 54 14.181 -6.623 -14.076 1.00 0.00 C ATOM 551 O GLU A 54 14.093 -5.920 -15.082 1.00 0.00 O ATOM 552 CB GLU A 54 16.320 -7.947 -13.902 1.00 0.00 C ATOM 553 CG GLU A 54 17.003 -7.571 -15.219 1.00 0.00 C ATOM 554 CD GLU A 54 17.384 -8.821 -16.015 1.00 0.00 C ATOM 555 OE1 GLU A 54 18.044 -9.722 -15.476 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.968 -8.837 -17.236 1.00 0.00 O ATOM 0 H GLU A 54 15.406 -7.869 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 54 16.100 -5.863 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.070 -8.256 -13.174 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.660 -8.799 -14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.336 -6.946 -15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.896 -6.980 -15.014 1.00 0.00 H new ATOM 564 N LYS A 55 13.174 -7.298 -13.542 1.00 0.00 N ATOM 565 CA LYS A 55 11.846 -7.252 -14.131 1.00 0.00 C ATOM 566 C LYS A 55 11.334 -5.810 -14.112 1.00 0.00 C ATOM 567 O LYS A 55 10.930 -5.278 -15.145 1.00 0.00 O ATOM 568 CB LYS A 55 10.915 -8.244 -13.432 1.00 0.00 C ATOM 569 CG LYS A 55 10.976 -9.619 -14.101 1.00 0.00 C ATOM 570 CD LYS A 55 10.220 -9.615 -15.431 1.00 0.00 C ATOM 571 CE LYS A 55 8.724 -9.379 -15.210 1.00 0.00 C ATOM 572 NZ LYS A 55 7.949 -9.830 -16.387 1.00 0.00 N ATOM 0 H LYS A 55 13.251 -7.880 -12.708 1.00 0.00 H new ATOM 0 HA LYS A 55 11.881 -7.565 -15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.195 -8.334 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.892 -7.868 -13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.016 -9.899 -14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.547 -10.370 -13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.623 -8.837 -16.080 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.370 -10.566 -15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.392 -9.916 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.540 -8.320 -15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.518 -9.007 -16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.582 -10.316 -17.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.201 -10.484 -16.080 1.00 0.00 H new ATOM 586 N PHE A 56 11.369 -5.220 -12.927 1.00 0.00 N ATOM 587 CA PHE A 56 10.913 -3.850 -12.760 1.00 0.00 C ATOM 588 C PHE A 56 11.931 -2.860 -13.330 1.00 0.00 C ATOM 589 O PHE A 56 11.556 -1.876 -13.965 1.00 0.00 O ATOM 590 CB PHE A 56 10.770 -3.606 -11.256 1.00 0.00 C ATOM 591 CG PHE A 56 12.001 -2.968 -10.609 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.377 -1.708 -10.959 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.719 -3.659 -9.684 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.519 -1.116 -10.359 1.00 0.00 C ATOM 595 CE2 PHE A 56 13.861 -3.067 -9.084 1.00 0.00 C ATOM 596 CZ PHE A 56 14.237 -1.807 -9.434 1.00 0.00 C ATOM 0 H PHE A 56 11.706 -5.665 -12.073 1.00 0.00 H new ATOM 0 HA PHE A 56 9.970 -3.705 -13.287 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.907 -2.963 -11.083 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.564 -4.556 -10.762 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.807 -1.158 -11.693 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.420 -4.659 -9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.818 -0.116 -10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.431 -3.617 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.105 -1.356 -8.977 1.00 0.00 H new ATOM 606 N GLU A 57 13.199 -3.156 -13.083 1.00 0.00 N ATOM 607 CA GLU A 57 14.273 -2.304 -13.564 1.00 0.00 C ATOM 608 C GLU A 57 14.162 -2.113 -15.078 1.00 0.00 C ATOM 609 O GLU A 57 14.370 -1.012 -15.585 1.00 0.00 O ATOM 610 CB GLU A 57 15.640 -2.878 -13.183 1.00 0.00 C ATOM 611 CG GLU A 57 16.767 -2.125 -13.892 1.00 0.00 C ATOM 612 CD GLU A 57 18.124 -2.769 -13.602 1.00 0.00 C ATOM 613 OE1 GLU A 57 19.159 -2.277 -14.076 1.00 0.00 O ATOM 614 OE2 GLU A 57 18.080 -3.819 -12.853 1.00 0.00 O ATOM 0 H GLU A 57 13.506 -3.974 -12.556 1.00 0.00 H new ATOM 0 HA GLU A 57 14.178 -1.329 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.778 -2.814 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.681 -3.935 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.585 -2.119 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.777 -1.085 -13.565 1.00 0.00 H new ATOM 622 N LYS A 58 13.833 -3.202 -15.757 1.00 0.00 N ATOM 623 CA LYS A 58 13.692 -3.168 -17.203 1.00 0.00 C ATOM 624 C LYS A 58 12.284 -2.688 -17.562 1.00 0.00 C ATOM 625 O LYS A 58 12.024 -2.318 -18.706 1.00 0.00 O ATOM 626 CB LYS A 58 14.051 -4.527 -17.809 1.00 0.00 C ATOM 627 CG LYS A 58 13.421 -4.694 -19.193 1.00 0.00 C ATOM 628 CD LYS A 58 13.605 -6.122 -19.711 1.00 0.00 C ATOM 629 CE LYS A 58 14.781 -6.204 -20.686 1.00 0.00 C ATOM 630 NZ LYS A 58 14.572 -5.286 -21.828 1.00 0.00 N ATOM 0 H LYS A 58 13.660 -4.113 -15.333 1.00 0.00 H new ATOM 0 HA LYS A 58 14.393 -2.456 -17.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.134 -4.620 -17.885 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.708 -5.325 -17.151 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.359 -4.455 -19.144 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.874 -3.989 -19.890 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.775 -6.798 -18.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.693 -6.453 -20.207 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.707 -5.948 -20.171 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.890 -7.226 -21.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.962 -5.713 -22.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.554 -5.116 -21.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.053 -4.383 -21.640 1.00 0.00 H new ATOM 754 N VAL A 67 16.535 0.107 -5.744 1.00 0.00 N ATOM 755 CA VAL A 67 16.440 -1.201 -6.370 1.00 0.00 C ATOM 756 C VAL A 67 16.537 -2.284 -5.294 1.00 0.00 C ATOM 757 O VAL A 67 15.789 -3.260 -5.321 1.00 0.00 O ATOM 758 CB VAL A 67 17.509 -1.340 -7.456 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.891 -0.967 -6.916 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.512 -2.752 -8.044 1.00 0.00 C ATOM 0 HA VAL A 67 15.476 -1.319 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 67 17.265 -0.644 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.632 -1.074 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.879 0.066 -6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.148 -1.626 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.281 -2.824 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.720 -3.474 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.538 -2.965 -8.484 1.00 0.00 H new ATOM 770 N GLU A 68 17.466 -2.076 -4.372 1.00 0.00 N ATOM 771 CA GLU A 68 17.670 -3.023 -3.289 1.00 0.00 C ATOM 772 C GLU A 68 16.457 -3.034 -2.357 1.00 0.00 C ATOM 773 O GLU A 68 16.179 -4.039 -1.705 1.00 0.00 O ATOM 774 CB GLU A 68 18.952 -2.704 -2.516 1.00 0.00 C ATOM 775 CG GLU A 68 20.172 -3.325 -3.200 1.00 0.00 C ATOM 776 CD GLU A 68 21.451 -3.026 -2.414 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.829 -1.855 -2.267 1.00 0.00 O ATOM 778 OE2 GLU A 68 22.059 -4.064 -1.948 1.00 0.00 O ATOM 0 H GLU A 68 18.085 -1.266 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 68 17.782 -4.018 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.080 -1.624 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.870 -3.082 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.036 -4.403 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.264 -2.934 -4.213 1.00 0.00 H new ATOM 786 N GLU A 69 15.767 -1.903 -2.323 1.00 0.00 N ATOM 787 CA GLU A 69 14.589 -1.769 -1.482 1.00 0.00 C ATOM 788 C GLU A 69 13.416 -2.546 -2.083 1.00 0.00 C ATOM 789 O GLU A 69 12.738 -3.295 -1.381 1.00 0.00 O ATOM 790 CB GLU A 69 14.225 -0.298 -1.278 1.00 0.00 C ATOM 791 CG GLU A 69 13.322 -0.120 -0.056 1.00 0.00 C ATOM 792 CD GLU A 69 12.582 1.218 -0.110 1.00 0.00 C ATOM 793 OE1 GLU A 69 12.841 2.104 0.717 1.00 0.00 O ATOM 794 OE2 GLU A 69 11.711 1.321 -1.056 1.00 0.00 O ATOM 0 H GLU A 69 16.001 -1.071 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 69 14.816 -2.192 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.134 0.291 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.720 0.082 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.601 -0.936 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.921 -0.172 0.853 1.00 0.00 H new ATOM 802 N LEU A 70 13.213 -2.342 -3.376 1.00 0.00 N ATOM 803 CA LEU A 70 12.134 -3.014 -4.080 1.00 0.00 C ATOM 804 C LEU A 70 12.333 -4.527 -3.984 1.00 0.00 C ATOM 805 O LEU A 70 11.434 -5.249 -3.554 1.00 0.00 O ATOM 806 CB LEU A 70 12.027 -2.497 -5.516 1.00 0.00 C ATOM 807 CG LEU A 70 10.617 -2.446 -6.107 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.627 -2.847 -7.584 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.647 -3.300 -5.288 1.00 0.00 C ATOM 0 H LEU A 70 13.778 -1.721 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 70 11.175 -2.788 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.451 -1.494 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.645 -3.128 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 70 10.262 -1.417 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.612 -2.802 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.265 -2.162 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.011 -3.862 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.652 -3.246 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.987 -4.336 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.610 -2.928 -4.264 1.00 0.00 H new ATOM 821 N VAL A 71 13.516 -4.964 -4.391 1.00 0.00 N ATOM 822 CA VAL A 71 13.844 -6.379 -4.356 1.00 0.00 C ATOM 823 C VAL A 71 13.590 -6.922 -2.948 1.00 0.00 C ATOM 824 O VAL A 71 12.894 -7.923 -2.782 1.00 0.00 O ATOM 825 CB VAL A 71 15.284 -6.594 -4.828 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.454 -6.155 -6.284 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.274 -5.866 -3.917 1.00 0.00 C ATOM 0 H VAL A 71 14.259 -4.363 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 71 13.204 -6.936 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 71 15.500 -7.661 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.486 -6.318 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.787 -6.737 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.210 -5.097 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.290 -6.035 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.059 -4.797 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.180 -6.246 -2.900 1.00 0.00 H new ATOM 837 N LYS A 72 14.167 -6.239 -1.971 1.00 0.00 N ATOM 838 CA LYS A 72 14.011 -6.641 -0.583 1.00 0.00 C ATOM 839 C LYS A 72 12.521 -6.754 -0.254 1.00 0.00 C ATOM 840 O LYS A 72 12.119 -7.608 0.535 1.00 0.00 O ATOM 841 CB LYS A 72 14.774 -5.688 0.339 1.00 0.00 C ATOM 842 CG LYS A 72 14.708 -6.163 1.792 1.00 0.00 C ATOM 843 CD LYS A 72 14.713 -4.975 2.757 1.00 0.00 C ATOM 844 CE LYS A 72 14.168 -5.381 4.128 1.00 0.00 C ATOM 845 NZ LYS A 72 14.626 -4.435 5.169 1.00 0.00 N ATOM 0 H LYS A 72 14.744 -5.410 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 72 14.449 -7.625 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.814 -5.623 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.353 -4.685 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.806 -6.756 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.557 -6.813 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.728 -4.593 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.109 -4.166 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.079 -5.402 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.500 -6.390 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.247 -4.725 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.665 -4.435 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.288 -3.478 4.941 1.00 0.00 H new ATOM 859 N LYS A 73 11.742 -5.880 -0.875 1.00 0.00 N ATOM 860 CA LYS A 73 10.306 -5.871 -0.657 1.00 0.00 C ATOM 861 C LYS A 73 9.683 -7.090 -1.341 1.00 0.00 C ATOM 862 O LYS A 73 8.662 -7.606 -0.888 1.00 0.00 O ATOM 863 CB LYS A 73 9.704 -4.538 -1.109 1.00 0.00 C ATOM 864 CG LYS A 73 10.223 -3.383 -0.250 1.00 0.00 C ATOM 865 CD LYS A 73 9.260 -3.077 0.898 1.00 0.00 C ATOM 866 CE LYS A 73 8.007 -2.362 0.388 1.00 0.00 C ATOM 867 NZ LYS A 73 7.063 -2.112 1.500 1.00 0.00 N ATOM 0 H LYS A 73 12.079 -5.173 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 73 10.082 -5.952 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.953 -4.358 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.617 -4.585 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.204 -3.636 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.351 -2.495 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.976 -4.004 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.760 -2.456 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.285 -1.418 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.523 -2.967 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.219 -1.626 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.784 -3.018 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.522 -1.516 2.218 1.00 0.00 H new ATOM 881 N VAL A 74 10.324 -7.515 -2.420 1.00 0.00 N ATOM 882 CA VAL A 74 9.846 -8.663 -3.170 1.00 0.00 C ATOM 883 C VAL A 74 10.111 -9.938 -2.367 1.00 0.00 C ATOM 884 O VAL A 74 9.246 -10.807 -2.270 1.00 0.00 O ATOM 885 CB VAL A 74 10.489 -8.686 -4.558 1.00 0.00 C ATOM 886 CG1 VAL A 74 9.978 -9.872 -5.380 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.252 -7.366 -5.294 1.00 0.00 C ATOM 0 H VAL A 74 11.170 -7.085 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 74 8.769 -8.595 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 74 11.564 -8.808 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.451 -9.865 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.222 -10.802 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.897 -9.795 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.719 -7.409 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.181 -7.200 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.687 -6.547 -4.721 1.00 0.00 H new ATOM 897 N VAL A 75 11.312 -10.010 -1.811 1.00 0.00 N ATOM 898 CA VAL A 75 11.702 -11.164 -1.020 1.00 0.00 C ATOM 899 C VAL A 75 10.947 -11.144 0.310 1.00 0.00 C ATOM 900 O VAL A 75 10.617 -12.196 0.857 1.00 0.00 O ATOM 901 CB VAL A 75 13.222 -11.188 -0.844 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.601 -11.283 0.636 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.849 -12.331 -1.645 1.00 0.00 C ATOM 0 H VAL A 75 12.027 -9.288 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 75 11.433 -12.087 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 75 13.619 -10.250 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.687 -11.298 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.201 -10.421 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.186 -12.197 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.930 -12.325 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.443 -13.282 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.622 -12.201 -2.703 1.00 0.00 H new ATOM 913 N ALA A 76 10.694 -9.936 0.793 1.00 0.00 N ATOM 914 CA ALA A 76 9.983 -9.765 2.049 1.00 0.00 C ATOM 915 C ALA A 76 8.569 -10.333 1.911 1.00 0.00 C ATOM 916 O ALA A 76 8.111 -11.082 2.772 1.00 0.00 O ATOM 917 CB ALA A 76 9.982 -8.285 2.437 1.00 0.00 C ATOM 0 H ALA A 76 10.969 -9.066 0.337 1.00 0.00 H new ATOM 0 HA ALA A 76 10.481 -10.312 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.449 -8.156 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.009 -7.938 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.487 -7.705 1.658 1.00 0.00 H new ATOM 923 N VAL A 77 7.918 -9.955 0.821 1.00 0.00 N ATOM 924 CA VAL A 77 6.565 -10.417 0.559 1.00 0.00 C ATOM 925 C VAL A 77 6.593 -11.917 0.258 1.00 0.00 C ATOM 926 O VAL A 77 5.671 -12.645 0.625 1.00 0.00 O ATOM 927 CB VAL A 77 5.939 -9.593 -0.567 1.00 0.00 C ATOM 928 CG1 VAL A 77 6.121 -8.095 -0.316 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.515 -9.995 -1.926 1.00 0.00 C ATOM 0 H VAL A 77 8.302 -9.334 0.109 1.00 0.00 H new ATOM 0 HA VAL A 77 5.935 -10.273 1.437 1.00 0.00 H new ATOM 0 HB VAL A 77 4.870 -9.803 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.667 -7.532 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.642 -7.823 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.184 -7.862 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.053 -9.394 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.592 -9.828 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.311 -11.050 -2.110 1.00 0.00 H new ATOM 939 N CYS A 78 7.660 -12.335 -0.407 1.00 0.00 N ATOM 940 CA CYS A 78 7.820 -13.735 -0.762 1.00 0.00 C ATOM 941 C CYS A 78 7.740 -14.567 0.520 1.00 0.00 C ATOM 942 O CYS A 78 6.984 -15.535 0.589 1.00 0.00 O ATOM 943 CB CYS A 78 9.125 -13.981 -1.521 1.00 0.00 C ATOM 944 SG CYS A 78 10.044 -15.366 -0.755 1.00 0.00 S ATOM 0 H CYS A 78 8.422 -11.729 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 78 7.021 -14.035 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.910 -14.210 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.736 -13.079 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 78 11.276 -15.007 -0.547 1.00 0.00 H new ATOM 950 N GLU A 79 8.530 -14.160 1.502 1.00 0.00 N ATOM 951 CA GLU A 79 8.558 -14.856 2.777 1.00 0.00 C ATOM 952 C GLU A 79 7.269 -14.588 3.557 1.00 0.00 C ATOM 953 O GLU A 79 6.722 -15.491 4.188 1.00 0.00 O ATOM 954 CB GLU A 79 9.787 -14.454 3.595 1.00 0.00 C ATOM 955 CG GLU A 79 10.988 -15.338 3.251 1.00 0.00 C ATOM 956 CD GLU A 79 10.979 -16.622 4.082 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.007 -16.985 4.673 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.853 -17.251 4.104 1.00 0.00 O ATOM 0 H GLU A 79 9.156 -13.357 1.441 1.00 0.00 H new ATOM 0 HA GLU A 79 8.626 -15.926 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.032 -13.410 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.563 -14.536 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.969 -15.587 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.912 -14.789 3.433 1.00 0.00 H new ATOM 966 N GLU A 80 6.822 -13.343 3.488 1.00 0.00 N ATOM 967 CA GLU A 80 5.607 -12.945 4.179 1.00 0.00 C ATOM 968 C GLU A 80 4.407 -13.723 3.636 1.00 0.00 C ATOM 969 O GLU A 80 3.368 -13.805 4.289 1.00 0.00 O ATOM 970 CB GLU A 80 5.381 -11.436 4.064 1.00 0.00 C ATOM 971 CG GLU A 80 5.752 -10.724 5.366 1.00 0.00 C ATOM 972 CD GLU A 80 4.663 -10.914 6.424 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.470 -10.756 6.122 1.00 0.00 O ATOM 974 OE2 GLU A 80 5.092 -11.238 7.597 1.00 0.00 O ATOM 0 H GLU A 80 7.279 -12.596 2.964 1.00 0.00 H new ATOM 0 HA GLU A 80 5.719 -13.183 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.979 -11.037 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.337 -11.239 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.699 -11.113 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.897 -9.661 5.175 1.00 0.00 H new ATOM 982 N LEU A 81 4.591 -14.275 2.445 1.00 0.00 N ATOM 983 CA LEU A 81 3.536 -15.043 1.806 1.00 0.00 C ATOM 984 C LEU A 81 3.541 -16.469 2.363 1.00 0.00 C ATOM 985 O LEU A 81 2.582 -17.216 2.175 1.00 0.00 O ATOM 986 CB LEU A 81 3.671 -14.977 0.284 1.00 0.00 C ATOM 987 CG LEU A 81 2.936 -13.825 -0.405 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.997 -13.968 -1.927 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.497 -13.712 0.102 1.00 0.00 C ATOM 0 H LEU A 81 5.454 -14.206 1.906 1.00 0.00 H new ATOM 0 HA LEU A 81 2.560 -14.614 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.730 -14.906 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.307 -15.916 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 81 3.442 -12.895 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.467 -13.137 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.038 -13.962 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.530 -14.907 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.997 -12.886 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.964 -14.640 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.503 -13.529 1.177 1.00 0.00 H new ATOM 1001 N GLY A 82 4.633 -16.803 3.035 1.00 0.00 N ATOM 1002 CA GLY A 82 4.776 -18.126 3.620 1.00 0.00 C ATOM 1003 C GLY A 82 4.072 -19.182 2.765 1.00 0.00 C ATOM 1004 O GLY A 82 3.464 -20.110 3.295 1.00 0.00 O ATOM 0 H GLY A 82 5.427 -16.181 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.833 -18.374 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.358 -18.130 4.627 1.00 0.00 H new ATOM 1008 N ALA A 83 4.180 -19.005 1.456 1.00 0.00 N ATOM 1009 CA ALA A 83 3.562 -19.932 0.523 1.00 0.00 C ATOM 1010 C ALA A 83 4.639 -20.527 -0.386 1.00 0.00 C ATOM 1011 O ALA A 83 5.425 -19.795 -0.985 1.00 0.00 O ATOM 1012 CB ALA A 83 2.468 -19.209 -0.265 1.00 0.00 C ATOM 0 H ALA A 83 4.686 -18.234 1.020 1.00 0.00 H new ATOM 0 HA ALA A 83 3.089 -20.756 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.004 -19.904 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.713 -18.830 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.906 -18.377 -0.816 1.00 0.00 H new ATOM 1018 N GLU A 84 4.640 -21.850 -0.461 1.00 0.00 N ATOM 1019 CA GLU A 84 5.607 -22.552 -1.288 1.00 0.00 C ATOM 1020 C GLU A 84 5.010 -23.860 -1.809 1.00 0.00 C ATOM 1021 O GLU A 84 5.740 -24.757 -2.227 1.00 0.00 O ATOM 1022 CB GLU A 84 6.903 -22.810 -0.516 1.00 0.00 C ATOM 1023 CG GLU A 84 6.727 -23.955 0.483 1.00 0.00 C ATOM 1024 CD GLU A 84 7.235 -25.275 -0.101 1.00 0.00 C ATOM 1025 OE1 GLU A 84 6.623 -26.330 0.125 1.00 0.00 O ATOM 1026 OE2 GLU A 84 8.306 -25.180 -0.814 1.00 0.00 O ATOM 0 H GLU A 84 3.987 -22.454 0.037 1.00 0.00 H new ATOM 0 HA GLU A 84 5.851 -21.921 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.704 -23.052 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.202 -21.905 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.268 -23.727 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.674 -24.052 0.749 1.00 0.00 H new ATOM 1034 N GLU A 85 3.687 -23.928 -1.767 1.00 0.00 N ATOM 1035 CA GLU A 85 2.983 -25.111 -2.230 1.00 0.00 C ATOM 1036 C GLU A 85 1.483 -24.977 -1.960 1.00 0.00 C ATOM 1037 O GLU A 85 1.080 -24.562 -0.874 1.00 0.00 O ATOM 1038 CB GLU A 85 3.547 -26.375 -1.578 1.00 0.00 C ATOM 1039 CG GLU A 85 3.013 -26.541 -0.153 1.00 0.00 C ATOM 1040 CD GLU A 85 3.561 -25.450 0.768 1.00 0.00 C ATOM 1041 OE1 GLU A 85 4.453 -25.720 1.587 1.00 0.00 O ATOM 1042 OE2 GLU A 85 3.029 -24.285 0.611 1.00 0.00 O ATOM 0 H GLU A 85 3.084 -23.182 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 85 3.131 -25.200 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.279 -27.247 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.636 -26.324 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.924 -26.501 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.293 -27.522 0.232 1.00 0.00 H new ATOM 1050 N CYS A 86 0.698 -25.335 -2.965 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.748 -25.260 -2.849 1.00 0.00 C ATOM 1052 C CYS A 86 -1.296 -26.684 -2.741 1.00 0.00 C ATOM 1053 O CYS A 86 -1.609 -27.312 -3.752 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.371 -24.496 -4.019 1.00 0.00 C ATOM 1055 SG CYS A 86 -0.946 -25.317 -5.599 1.00 0.00 S ATOM 0 H CYS A 86 1.036 -25.678 -3.864 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.014 -24.700 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.454 -24.454 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.011 -23.467 -4.026 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.871 -26.602 -5.414 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.397 -27.153 -1.506 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.902 -28.492 -1.252 1.00 0.00 C ATOM 1062 C PHE A 87 -3.310 -28.664 -1.826 1.00 0.00 C ATOM 1063 O PHE A 87 -3.796 -29.786 -1.961 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.958 -28.669 0.266 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.662 -29.206 0.878 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -0.142 -30.385 0.444 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.030 -28.503 1.857 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.060 -30.883 1.012 1.00 0.00 C ATOM 1069 CE2 PHE A 87 1.172 -29.001 2.424 1.00 0.00 C ATOM 1070 CZ PHE A 87 1.692 -30.180 1.990 1.00 0.00 C ATOM 0 H PHE A 87 -1.138 -26.630 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.253 -29.230 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.194 -27.709 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.773 -29.349 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.644 -30.943 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.443 -27.567 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.473 -31.820 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.674 -28.443 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.607 -30.558 2.422 1.00 0.00 H new ATOM 1080 N SER A 88 -3.925 -27.536 -2.148 1.00 0.00 N ATOM 1081 CA SER A 88 -5.268 -27.548 -2.704 1.00 0.00 C ATOM 1082 C SER A 88 -5.285 -28.341 -4.012 1.00 0.00 C ATOM 1083 O SER A 88 -6.282 -28.983 -4.341 1.00 0.00 O ATOM 1084 CB SER A 88 -5.780 -26.126 -2.938 1.00 0.00 C ATOM 1085 OG SER A 88 -4.714 -25.201 -3.138 1.00 0.00 O ATOM 0 H SER A 88 -3.519 -26.607 -2.035 1.00 0.00 H new ATOM 0 HA SER A 88 -5.932 -28.030 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.437 -26.116 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.378 -25.811 -2.083 1.00 0.00 H new ATOM 0 HG SER A 88 -5.035 -24.441 -3.667 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.170 -28.270 -4.725 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.045 -28.973 -5.990 1.00 0.00 C ATOM 1093 C CYS A 89 -4.107 -30.477 -5.713 1.00 0.00 C ATOM 1094 O CYS A 89 -4.333 -31.271 -6.625 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.763 -28.583 -6.730 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.139 -27.334 -8.014 1.00 0.00 S ATOM 0 H CYS A 89 -3.345 -27.736 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.867 -28.691 -6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.033 -28.184 -6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.315 -29.465 -7.188 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.045 -27.007 -8.635 1.00 0.00 H new