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 148:sc= -7.61! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -18.8! C(o=-31!,f=-30!) USER MOD Set 1.3: A 37 THR OG1 : rot 75:sc= -0.121 USER MOD Set 1.4: A 86 CYS SG : rot -106:sc= -4.93 USER MOD Set 1.5: A 88 SER OG : rot -18:sc= 0.00668 USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.297 USER MOD Set 2.1: A 40 SER OG : rot -175:sc= 1.14 USER MOD Set 2.2: A 78 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 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+ -148:sc= -0.131 (180deg=-0.79) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.094 (180deg=-0.639) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.0398 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.749 -1.494 -5.943 1.00 0.00 N ATOM 29 CA ALA A 18 4.034 -1.607 -6.610 1.00 0.00 C ATOM 30 C ALA A 18 4.727 -2.894 -6.158 1.00 0.00 C ATOM 31 O ALA A 18 5.162 -3.694 -6.986 1.00 0.00 O ATOM 32 CB ALA A 18 4.872 -0.361 -6.319 1.00 0.00 C ATOM 0 HA ALA A 18 3.901 -1.666 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.836 -0.446 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.350 0.523 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.028 -0.270 -5.244 1.00 0.00 H new ATOM 38 N VAL A 19 4.809 -3.055 -4.845 1.00 0.00 N ATOM 39 CA VAL A 19 5.442 -4.231 -4.273 1.00 0.00 C ATOM 40 C VAL A 19 4.797 -5.488 -4.859 1.00 0.00 C ATOM 41 O VAL A 19 5.485 -6.339 -5.420 1.00 0.00 O ATOM 42 CB VAL A 19 5.364 -4.176 -2.746 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.065 -3.510 -2.286 1.00 0.00 C ATOM 44 CG2 VAL A 19 5.508 -5.573 -2.139 1.00 0.00 C ATOM 0 H VAL A 19 4.447 -2.390 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 19 6.501 -4.258 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 19 6.196 -3.568 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.035 -3.484 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.020 -2.493 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.213 -4.078 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.449 -5.506 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.707 -6.214 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.471 -5.996 -2.424 1.00 0.00 H new ATOM 54 N TYR A 20 3.482 -5.565 -4.711 1.00 0.00 N ATOM 55 CA TYR A 20 2.737 -6.704 -5.219 1.00 0.00 C ATOM 56 C TYR A 20 2.966 -6.883 -6.721 1.00 0.00 C ATOM 57 O TYR A 20 2.860 -7.993 -7.241 1.00 0.00 O ATOM 58 CB TYR A 20 1.261 -6.385 -4.974 1.00 0.00 C ATOM 59 CG TYR A 20 0.705 -6.967 -3.673 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.566 -7.347 -2.664 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.657 -7.113 -3.509 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.044 -7.896 -1.440 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.180 -7.662 -2.285 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.304 -8.026 -1.310 1.00 0.00 C ATOM 65 OH TYR A 20 -0.798 -8.544 -0.154 1.00 0.00 O ATOM 0 H TYR A 20 2.914 -4.857 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 20 3.054 -7.622 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.131 -5.303 -4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.674 -6.766 -5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.632 -7.232 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.331 -6.815 -4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.707 -8.198 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.244 -7.782 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.776 -8.577 -0.202 1.00 0.00 H new ATOM 75 N ILE A 21 3.275 -5.773 -7.376 1.00 0.00 N ATOM 76 CA ILE A 21 3.519 -5.794 -8.808 1.00 0.00 C ATOM 77 C ILE A 21 4.856 -6.485 -9.083 1.00 0.00 C ATOM 78 O ILE A 21 4.984 -7.236 -10.049 1.00 0.00 O ATOM 79 CB ILE A 21 3.427 -4.381 -9.388 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.078 -4.158 -10.076 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.602 -4.094 -10.324 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.939 -5.049 -11.312 1.00 0.00 C ATOM 0 H ILE A 21 3.362 -4.854 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 21 2.749 -6.374 -9.317 1.00 0.00 H new ATOM 0 HB ILE A 21 3.491 -3.669 -8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.269 -4.371 -9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.982 -3.111 -10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.512 -3.083 -10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.537 -4.184 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.595 -4.810 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.972 -4.871 -11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.735 -4.816 -12.020 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.011 -6.096 -11.016 1.00 0.00 H new ATOM 94 N ALA A 22 5.819 -6.206 -8.217 1.00 0.00 N ATOM 95 CA ALA A 22 7.142 -6.791 -8.354 1.00 0.00 C ATOM 96 C ALA A 22 7.072 -8.282 -8.020 1.00 0.00 C ATOM 97 O ALA A 22 7.606 -9.113 -8.754 1.00 0.00 O ATOM 98 CB ALA A 22 8.129 -6.038 -7.460 1.00 0.00 C ATOM 0 H ALA A 22 5.709 -5.582 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 22 7.498 -6.700 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.121 -6.477 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.163 -4.990 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.807 -6.110 -6.421 1.00 0.00 H new ATOM 104 N ILE A 23 6.411 -8.577 -6.910 1.00 0.00 N ATOM 105 CA ILE A 23 6.264 -9.954 -6.469 1.00 0.00 C ATOM 106 C ILE A 23 5.357 -10.704 -7.447 1.00 0.00 C ATOM 107 O ILE A 23 5.419 -11.929 -7.541 1.00 0.00 O ATOM 108 CB ILE A 23 5.780 -10.003 -5.019 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.289 -9.670 -4.927 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.626 -9.093 -4.127 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.440 -10.943 -4.958 1.00 0.00 C ATOM 0 H ILE A 23 5.971 -7.886 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 23 7.229 -10.462 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 23 5.906 -11.021 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.092 -9.119 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.006 -9.020 -5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.260 -9.147 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.666 -9.417 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.555 -8.066 -4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.385 -10.678 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.621 -11.479 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.708 -11.580 -4.115 1.00 0.00 H new ATOM 123 N GLU A 24 4.536 -9.938 -8.149 1.00 0.00 N ATOM 124 CA GLU A 24 3.617 -10.515 -9.116 1.00 0.00 C ATOM 125 C GLU A 24 4.195 -10.405 -10.528 1.00 0.00 C ATOM 126 O GLU A 24 3.680 -11.016 -11.463 1.00 0.00 O ATOM 127 CB GLU A 24 2.243 -9.848 -9.032 1.00 0.00 C ATOM 128 CG GLU A 24 1.567 -10.151 -7.694 1.00 0.00 C ATOM 129 CD GLU A 24 0.419 -9.176 -7.426 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.348 -8.113 -8.060 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.420 -9.556 -6.523 1.00 0.00 O ATOM 0 H GLU A 24 4.488 -8.922 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 24 3.486 -11.571 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.350 -8.770 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.614 -10.200 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.188 -11.173 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.300 -10.086 -6.889 1.00 0.00 H new ATOM 139 N ALA A 25 5.258 -9.621 -10.639 1.00 0.00 N ATOM 140 CA ALA A 25 5.911 -9.424 -11.922 1.00 0.00 C ATOM 141 C ALA A 25 6.229 -10.785 -12.543 1.00 0.00 C ATOM 142 O ALA A 25 6.315 -10.910 -13.764 1.00 0.00 O ATOM 143 CB ALA A 25 7.162 -8.564 -11.731 1.00 0.00 C ATOM 0 H ALA A 25 5.683 -9.115 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 25 5.252 -8.894 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.652 -8.416 -12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.879 -7.597 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.848 -9.066 -11.048 1.00 0.00 H new ATOM 149 N GLY A 26 6.395 -11.772 -11.674 1.00 0.00 N ATOM 150 CA GLY A 26 6.702 -13.120 -12.122 1.00 0.00 C ATOM 151 C GLY A 26 7.807 -13.743 -11.268 1.00 0.00 C ATOM 152 O GLY A 26 8.685 -14.431 -11.787 1.00 0.00 O ATOM 0 H GLY A 26 6.323 -11.665 -10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.805 -13.737 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.013 -13.098 -13.166 1.00 0.00 H new ATOM 156 N THR A 27 7.729 -13.481 -9.972 1.00 0.00 N ATOM 157 CA THR A 27 8.711 -14.008 -9.040 1.00 0.00 C ATOM 158 C THR A 27 8.203 -15.303 -8.405 1.00 0.00 C ATOM 159 O THR A 27 8.943 -16.281 -8.303 1.00 0.00 O ATOM 160 CB THR A 27 9.029 -12.914 -8.019 1.00 0.00 C ATOM 161 OG1 THR A 27 8.227 -13.250 -6.890 1.00 0.00 O ATOM 162 CG2 THR A 27 8.509 -11.541 -8.450 1.00 0.00 C ATOM 0 H THR A 27 7.000 -12.910 -9.545 1.00 0.00 H new ATOM 0 HA THR A 27 9.636 -14.275 -9.550 1.00 0.00 H new ATOM 0 HB THR A 27 10.107 -12.862 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.372 -12.592 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.761 -10.801 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.968 -11.259 -9.397 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.426 -11.583 -8.570 1.00 0.00 H new ATOM 170 N LEU A 28 6.944 -15.269 -7.994 1.00 0.00 N ATOM 171 CA LEU A 28 6.328 -16.428 -7.371 1.00 0.00 C ATOM 172 C LEU A 28 5.085 -16.829 -8.167 1.00 0.00 C ATOM 173 O LEU A 28 4.690 -16.133 -9.101 1.00 0.00 O ATOM 174 CB LEU A 28 6.050 -16.157 -5.891 1.00 0.00 C ATOM 175 CG LEU A 28 5.762 -14.701 -5.519 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.280 -14.371 -5.702 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.247 -14.392 -4.101 1.00 0.00 C ATOM 0 H LEU A 28 6.333 -14.457 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 28 7.009 -17.279 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.199 -16.765 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.909 -16.496 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 28 6.321 -14.058 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.103 -13.330 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.998 -14.528 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.681 -15.020 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.030 -13.351 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.735 -15.042 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.322 -14.563 -4.039 1.00 0.00 H new ATOM 189 N ALA A 29 4.502 -17.950 -7.769 1.00 0.00 N ATOM 190 CA ALA A 29 3.312 -18.452 -8.433 1.00 0.00 C ATOM 191 C ALA A 29 2.296 -18.900 -7.381 1.00 0.00 C ATOM 192 O ALA A 29 2.667 -19.238 -6.258 1.00 0.00 O ATOM 193 CB ALA A 29 3.699 -19.583 -9.388 1.00 0.00 C ATOM 0 H ALA A 29 4.832 -18.525 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 29 2.845 -17.667 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.806 -19.960 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.399 -19.206 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.168 -20.390 -8.825 1.00 0.00 H new ATOM 199 N GLU A 30 1.033 -18.888 -7.781 1.00 0.00 N ATOM 200 CA GLU A 30 -0.040 -19.289 -6.886 1.00 0.00 C ATOM 201 C GLU A 30 -1.209 -19.868 -7.685 1.00 0.00 C ATOM 202 O GLU A 30 -1.534 -19.375 -8.764 1.00 0.00 O ATOM 203 CB GLU A 30 -0.498 -18.114 -6.019 1.00 0.00 C ATOM 204 CG GLU A 30 -0.783 -16.879 -6.875 1.00 0.00 C ATOM 205 CD GLU A 30 0.518 -16.209 -7.323 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.221 -15.607 -6.498 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.790 -16.333 -8.578 1.00 0.00 O ATOM 0 H GLU A 30 0.728 -18.607 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 30 0.339 -20.064 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.395 -18.393 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.270 -17.880 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.368 -17.165 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.385 -16.169 -6.307 1.00 0.00 H new ATOM 215 N CYS A 31 -1.809 -20.908 -7.124 1.00 0.00 N ATOM 216 CA CYS A 31 -2.935 -21.560 -7.771 1.00 0.00 C ATOM 217 C CYS A 31 -4.021 -20.511 -8.018 1.00 0.00 C ATOM 218 O CYS A 31 -4.536 -19.912 -7.075 1.00 0.00 O ATOM 219 CB CYS A 31 -3.457 -22.738 -6.946 1.00 0.00 C ATOM 220 SG CYS A 31 -3.655 -24.211 -8.013 1.00 0.00 S ATOM 0 H CYS A 31 -1.537 -21.315 -6.229 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.615 -21.982 -8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.765 -22.958 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.412 -22.478 -6.490 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.434 -25.285 -7.315 1.00 0.00 H new ATOM 225 N GLU A 32 -4.337 -20.321 -9.291 1.00 0.00 N ATOM 226 CA GLU A 32 -5.352 -19.355 -9.673 1.00 0.00 C ATOM 227 C GLU A 32 -6.749 -19.949 -9.484 1.00 0.00 C ATOM 228 O GLU A 32 -7.751 -19.295 -9.770 1.00 0.00 O ATOM 229 CB GLU A 32 -5.147 -18.886 -11.115 1.00 0.00 C ATOM 230 CG GLU A 32 -5.427 -20.018 -12.105 1.00 0.00 C ATOM 231 CD GLU A 32 -6.905 -20.046 -12.502 1.00 0.00 C ATOM 232 OE1 GLU A 32 -7.606 -19.034 -12.355 1.00 0.00 O ATOM 233 OE2 GLU A 32 -7.320 -21.170 -12.980 1.00 0.00 O ATOM 0 H GLU A 32 -3.908 -20.820 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.258 -18.484 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.806 -18.044 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.125 -18.530 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.810 -19.889 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.148 -20.973 -11.659 1.00 0.00 H new ATOM 241 N VAL A 33 -6.772 -21.184 -9.002 1.00 0.00 N ATOM 242 CA VAL A 33 -8.030 -21.874 -8.771 1.00 0.00 C ATOM 243 C VAL A 33 -8.288 -21.963 -7.266 1.00 0.00 C ATOM 244 O VAL A 33 -9.394 -22.295 -6.841 1.00 0.00 O ATOM 245 CB VAL A 33 -8.010 -23.242 -9.457 1.00 0.00 C ATOM 246 CG1 VAL A 33 -8.996 -23.283 -10.626 1.00 0.00 C ATOM 247 CG2 VAL A 33 -6.596 -23.603 -9.918 1.00 0.00 C ATOM 0 H VAL A 33 -5.940 -21.724 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.858 -21.318 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.325 -23.988 -8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.962 -24.266 -11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.004 -23.091 -10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.725 -22.521 -11.357 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.609 -24.579 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.241 -22.853 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.929 -23.634 -9.056 1.00 0.00 H new ATOM 257 N HIS A 34 -7.250 -21.661 -6.500 1.00 0.00 N ATOM 258 CA HIS A 34 -7.351 -21.703 -5.052 1.00 0.00 C ATOM 259 C HIS A 34 -6.893 -20.365 -4.466 1.00 0.00 C ATOM 260 O HIS A 34 -5.708 -20.173 -4.200 1.00 0.00 O ATOM 261 CB HIS A 34 -6.574 -22.894 -4.487 1.00 0.00 C ATOM 262 CG HIS A 34 -6.524 -24.088 -5.410 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.210 -23.984 -6.754 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.750 -25.411 -5.169 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.249 -25.196 -7.288 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.585 -26.079 -6.304 1.00 0.00 N ATOM 0 H HIS A 34 -6.334 -21.386 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.391 -21.851 -4.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.555 -22.577 -4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.028 -23.196 -3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.018 -25.842 -4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.050 -25.442 -8.321 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.692 -27.087 -6.421 1.00 0.00 H new ATOM 274 N GLU A 35 -7.857 -19.475 -4.283 1.00 0.00 N ATOM 275 CA GLU A 35 -7.569 -18.161 -3.734 1.00 0.00 C ATOM 276 C GLU A 35 -7.070 -18.286 -2.293 1.00 0.00 C ATOM 277 O GLU A 35 -7.722 -18.911 -1.459 1.00 0.00 O ATOM 278 CB GLU A 35 -8.797 -17.252 -3.813 1.00 0.00 C ATOM 279 CG GLU A 35 -8.912 -16.605 -5.195 1.00 0.00 C ATOM 280 CD GLU A 35 -9.005 -17.668 -6.292 1.00 0.00 C ATOM 281 OE1 GLU A 35 -7.990 -17.995 -6.924 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.183 -18.159 -6.476 1.00 0.00 O ATOM 0 H GLU A 35 -8.839 -19.638 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.781 -17.703 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.696 -17.831 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.730 -16.477 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.793 -15.965 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.047 -15.966 -5.375 1.00 0.00 H new ATOM 290 N GLY A 36 -5.918 -17.680 -2.045 1.00 0.00 N ATOM 291 CA GLY A 36 -5.324 -17.716 -0.719 1.00 0.00 C ATOM 292 C GLY A 36 -4.052 -18.565 -0.710 1.00 0.00 C ATOM 293 O GLY A 36 -3.124 -18.292 0.049 1.00 0.00 O ATOM 0 H GLY A 36 -5.380 -17.161 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.091 -16.702 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.042 -18.122 -0.006 1.00 0.00 H new ATOM 297 N THR A 37 -4.050 -19.579 -1.564 1.00 0.00 N ATOM 298 CA THR A 37 -2.906 -20.470 -1.664 1.00 0.00 C ATOM 299 C THR A 37 -1.858 -19.888 -2.614 1.00 0.00 C ATOM 300 O THR A 37 -2.195 -19.398 -3.691 1.00 0.00 O ATOM 301 CB THR A 37 -3.417 -21.847 -2.092 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.786 -21.625 -2.417 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.466 -22.841 -0.929 1.00 0.00 C ATOM 0 H THR A 37 -4.822 -19.803 -2.192 1.00 0.00 H new ATOM 0 HA THR A 37 -2.403 -20.578 -0.703 1.00 0.00 H new ATOM 0 HB THR A 37 -2.777 -22.242 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.847 -21.159 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.836 -23.802 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.465 -22.968 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.132 -22.462 -0.154 1.00 0.00 H new ATOM 311 N TYR A 38 -0.608 -19.961 -2.181 1.00 0.00 N ATOM 312 CA TYR A 38 0.492 -19.448 -2.980 1.00 0.00 C ATOM 313 C TYR A 38 1.718 -20.357 -2.874 1.00 0.00 C ATOM 314 O TYR A 38 1.713 -21.326 -2.116 1.00 0.00 O ATOM 315 CB TYR A 38 0.835 -18.077 -2.393 1.00 0.00 C ATOM 316 CG TYR A 38 -0.055 -16.942 -2.901 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.325 -16.776 -2.386 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.411 -16.082 -3.876 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.163 -15.707 -2.864 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.427 -15.014 -4.354 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.672 -14.879 -3.824 1.00 0.00 C ATOM 322 OH TYR A 38 -2.464 -13.869 -4.276 1.00 0.00 O ATOM 0 H TYR A 38 -0.332 -20.368 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 38 0.210 -19.394 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.756 -18.128 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.874 -17.843 -2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.690 -17.448 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.404 -16.211 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.158 -15.566 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.075 -14.335 -5.117 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.983 -13.357 -4.960 1.00 0.00 H new ATOM 332 N PHE A 39 2.739 -20.012 -3.645 1.00 0.00 N ATOM 333 CA PHE A 39 3.969 -20.785 -3.647 1.00 0.00 C ATOM 334 C PHE A 39 5.035 -20.117 -4.518 1.00 0.00 C ATOM 335 O PHE A 39 4.896 -20.058 -5.739 1.00 0.00 O ATOM 336 CB PHE A 39 3.634 -22.157 -4.233 1.00 0.00 C ATOM 337 CG PHE A 39 3.453 -22.157 -5.753 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.233 -21.890 -6.292 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.511 -22.424 -6.564 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.065 -21.890 -7.702 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.343 -22.424 -7.974 1.00 0.00 C ATOM 342 CZ PHE A 39 3.123 -22.157 -8.513 1.00 0.00 C ATOM 0 H PHE A 39 2.739 -19.208 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 39 4.362 -20.861 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.428 -22.856 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.720 -22.526 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.392 -21.678 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.479 -22.636 -6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.097 -21.678 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.184 -22.636 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.995 -22.157 -9.585 1.00 0.00 H new ATOM 352 N SER A 40 6.075 -19.630 -3.857 1.00 0.00 N ATOM 353 CA SER A 40 7.163 -18.969 -4.556 1.00 0.00 C ATOM 354 C SER A 40 8.177 -20.005 -5.046 1.00 0.00 C ATOM 355 O SER A 40 8.324 -21.068 -4.444 1.00 0.00 O ATOM 356 CB SER A 40 7.850 -17.938 -3.657 1.00 0.00 C ATOM 357 OG SER A 40 8.338 -18.522 -2.453 1.00 0.00 O ATOM 0 H SER A 40 6.187 -19.680 -2.844 1.00 0.00 H new ATOM 0 HA SER A 40 6.747 -18.443 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.677 -17.479 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.146 -17.142 -3.415 1.00 0.00 H new ATOM 0 HG SER A 40 8.706 -17.821 -1.875 1.00 0.00 H new ATOM 363 N ASP A 41 8.850 -19.660 -6.134 1.00 0.00 N ATOM 364 CA ASP A 41 9.845 -20.547 -6.711 1.00 0.00 C ATOM 365 C ASP A 41 10.695 -21.151 -5.591 1.00 0.00 C ATOM 366 O ASP A 41 11.645 -20.526 -5.122 1.00 0.00 O ATOM 367 CB ASP A 41 10.779 -19.787 -7.655 1.00 0.00 C ATOM 368 CG ASP A 41 10.679 -20.192 -9.127 1.00 0.00 C ATOM 369 OD1 ASP A 41 9.714 -20.848 -9.545 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.660 -19.799 -9.868 1.00 0.00 O ATOM 0 H ASP A 41 8.725 -18.778 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 41 9.321 -21.323 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.567 -18.721 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.806 -19.934 -7.322 1.00 0.00 H new ATOM 376 N SER A 42 10.322 -22.359 -5.194 1.00 0.00 N ATOM 377 CA SER A 42 11.038 -23.054 -4.138 1.00 0.00 C ATOM 378 C SER A 42 12.411 -23.502 -4.644 1.00 0.00 C ATOM 379 O SER A 42 12.532 -24.005 -5.760 1.00 0.00 O ATOM 380 CB SER A 42 10.241 -24.257 -3.632 1.00 0.00 C ATOM 381 OG SER A 42 11.033 -25.120 -2.820 1.00 0.00 O ATOM 0 H SER A 42 9.533 -22.874 -5.585 1.00 0.00 H new ATOM 0 HA SER A 42 11.172 -22.364 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.382 -23.908 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.851 -24.817 -4.482 1.00 0.00 H new ATOM 0 HG SER A 42 10.487 -25.875 -2.515 1.00 0.00 H new ATOM 387 N GLY A 43 13.411 -23.303 -3.798 1.00 0.00 N ATOM 388 CA GLY A 43 14.771 -23.681 -4.145 1.00 0.00 C ATOM 389 C GLY A 43 15.631 -22.445 -4.416 1.00 0.00 C ATOM 390 O GLY A 43 16.839 -22.462 -4.188 1.00 0.00 O ATOM 0 H GLY A 43 13.307 -22.885 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.209 -24.262 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.761 -24.322 -5.027 1.00 0.00 H new ATOM 394 N ASP A 44 14.974 -21.400 -4.899 1.00 0.00 N ATOM 395 CA ASP A 44 15.663 -20.158 -5.204 1.00 0.00 C ATOM 396 C ASP A 44 14.725 -18.980 -4.933 1.00 0.00 C ATOM 397 O ASP A 44 14.108 -18.448 -5.855 1.00 0.00 O ATOM 398 CB ASP A 44 16.077 -20.104 -6.676 1.00 0.00 C ATOM 399 CG ASP A 44 15.162 -20.871 -7.633 1.00 0.00 C ATOM 400 OD1 ASP A 44 15.625 -21.690 -8.441 1.00 0.00 O ATOM 401 OD2 ASP A 44 13.906 -20.595 -7.526 1.00 0.00 O ATOM 0 H ASP A 44 13.971 -21.388 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 44 16.553 -20.104 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.113 -19.061 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 44 17.088 -20.500 -6.768 1.00 0.00 H new ATOM 407 N ILE A 45 14.647 -18.607 -3.664 1.00 0.00 N ATOM 408 CA ILE A 45 13.795 -17.501 -3.260 1.00 0.00 C ATOM 409 C ILE A 45 14.430 -16.183 -3.708 1.00 0.00 C ATOM 410 O ILE A 45 13.733 -15.189 -3.903 1.00 0.00 O ATOM 411 CB ILE A 45 13.508 -17.567 -1.759 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.223 -18.349 -1.480 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.470 -16.165 -1.146 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.417 -17.698 -0.355 1.00 0.00 C ATOM 0 H ILE A 45 15.160 -19.051 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 45 12.824 -17.569 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 45 14.324 -18.107 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.618 -18.396 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.470 -19.375 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.264 -16.240 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.432 -15.676 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.686 -15.579 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.509 -18.274 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.016 -17.675 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.151 -16.680 -0.640 1.00 0.00 H new ATOM 426 N SER A 46 15.746 -16.218 -3.858 1.00 0.00 N ATOM 427 CA SER A 46 16.483 -15.039 -4.279 1.00 0.00 C ATOM 428 C SER A 46 16.224 -14.761 -5.761 1.00 0.00 C ATOM 429 O SER A 46 16.327 -13.621 -6.209 1.00 0.00 O ATOM 430 CB SER A 46 17.982 -15.207 -4.025 1.00 0.00 C ATOM 431 OG SER A 46 18.245 -15.834 -2.772 1.00 0.00 O ATOM 0 H SER A 46 16.321 -17.045 -3.695 1.00 0.00 H new ATOM 0 HA SER A 46 16.135 -14.190 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.421 -15.801 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.466 -14.230 -4.050 1.00 0.00 H new ATOM 0 HG SER A 46 19.213 -15.925 -2.648 1.00 0.00 H new ATOM 437 N GLU A 47 15.892 -15.824 -6.480 1.00 0.00 N ATOM 438 CA GLU A 47 15.617 -15.708 -7.902 1.00 0.00 C ATOM 439 C GLU A 47 14.463 -14.734 -8.142 1.00 0.00 C ATOM 440 O GLU A 47 14.477 -13.976 -9.111 1.00 0.00 O ATOM 441 CB GLU A 47 15.316 -17.077 -8.515 1.00 0.00 C ATOM 442 CG GLU A 47 16.588 -17.724 -9.067 1.00 0.00 C ATOM 443 CD GLU A 47 16.254 -18.943 -9.929 1.00 0.00 C ATOM 444 OE1 GLU A 47 15.097 -19.113 -10.341 1.00 0.00 O ATOM 445 OE2 GLU A 47 17.248 -19.729 -10.170 1.00 0.00 O ATOM 0 H GLU A 47 15.807 -16.769 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 47 16.507 -15.314 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.871 -17.727 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.583 -16.968 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.143 -16.996 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.235 -18.024 -8.243 1.00 0.00 H new ATOM 453 N ALA A 48 13.491 -14.784 -7.243 1.00 0.00 N ATOM 454 CA ALA A 48 12.331 -13.915 -7.345 1.00 0.00 C ATOM 455 C ALA A 48 12.771 -12.461 -7.162 1.00 0.00 C ATOM 456 O ALA A 48 12.186 -11.553 -7.751 1.00 0.00 O ATOM 457 CB ALA A 48 11.282 -14.341 -6.317 1.00 0.00 C ATOM 0 H ALA A 48 13.483 -15.413 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 48 11.874 -13.999 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.412 -13.689 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.982 -15.371 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.704 -14.267 -5.315 1.00 0.00 H new ATOM 463 N GLU A 49 13.797 -12.286 -6.343 1.00 0.00 N ATOM 464 CA GLU A 49 14.322 -10.958 -6.074 1.00 0.00 C ATOM 465 C GLU A 49 15.062 -10.421 -7.301 1.00 0.00 C ATOM 466 O GLU A 49 14.807 -9.302 -7.744 1.00 0.00 O ATOM 467 CB GLU A 49 15.233 -10.967 -4.845 1.00 0.00 C ATOM 468 CG GLU A 49 16.457 -10.074 -5.063 1.00 0.00 C ATOM 469 CD GLU A 49 17.149 -9.758 -3.736 1.00 0.00 C ATOM 470 OE1 GLU A 49 16.619 -10.092 -2.666 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.278 -9.144 -3.842 1.00 0.00 O ATOM 0 H GLU A 49 14.279 -13.042 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 49 13.484 -10.294 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.677 -10.622 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.555 -11.987 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.158 -10.570 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.153 -9.147 -5.549 1.00 0.00 H new ATOM 479 N GLU A 50 15.962 -11.245 -7.817 1.00 0.00 N ATOM 480 CA GLU A 50 16.741 -10.867 -8.984 1.00 0.00 C ATOM 481 C GLU A 50 15.817 -10.611 -10.177 1.00 0.00 C ATOM 482 O GLU A 50 15.955 -9.602 -10.868 1.00 0.00 O ATOM 483 CB GLU A 50 17.783 -11.936 -9.318 1.00 0.00 C ATOM 484 CG GLU A 50 19.114 -11.638 -8.624 1.00 0.00 C ATOM 485 CD GLU A 50 19.065 -12.038 -7.148 1.00 0.00 C ATOM 486 OE1 GLU A 50 18.665 -13.167 -6.825 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.462 -11.130 -6.323 1.00 0.00 O ATOM 0 H GLU A 50 16.169 -12.173 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 50 17.275 -9.944 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.418 -12.915 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.933 -11.979 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.918 -12.178 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.343 -10.576 -8.709 1.00 0.00 H new ATOM 495 N LEU A 51 14.897 -11.542 -10.383 1.00 0.00 N ATOM 496 CA LEU A 51 13.952 -11.429 -11.481 1.00 0.00 C ATOM 497 C LEU A 51 13.155 -10.132 -11.331 1.00 0.00 C ATOM 498 O LEU A 51 12.955 -9.406 -12.304 1.00 0.00 O ATOM 499 CB LEU A 51 13.077 -12.682 -11.565 1.00 0.00 C ATOM 500 CG LEU A 51 11.618 -12.455 -11.965 1.00 0.00 C ATOM 501 CD1 LEU A 51 10.777 -12.032 -10.759 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.515 -11.453 -13.117 1.00 0.00 C ATOM 0 H LEU A 51 14.786 -12.377 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 51 14.479 -11.371 -12.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.527 -13.368 -12.282 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.094 -13.179 -10.595 1.00 0.00 H new ATOM 0 HG LEU A 51 11.211 -13.401 -12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.744 -11.877 -11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.813 -12.812 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.174 -11.105 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.467 -11.310 -13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.945 -10.500 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.059 -11.835 -13.981 1.00 0.00 H new ATOM 514 N ALA A 52 12.721 -9.879 -10.105 1.00 0.00 N ATOM 515 CA ALA A 52 11.951 -8.682 -9.816 1.00 0.00 C ATOM 516 C ALA A 52 12.843 -7.451 -9.994 1.00 0.00 C ATOM 517 O ALA A 52 12.374 -6.397 -10.421 1.00 0.00 O ATOM 518 CB ALA A 52 11.367 -8.779 -8.405 1.00 0.00 C ATOM 0 H ALA A 52 12.888 -10.483 -9.300 1.00 0.00 H new ATOM 0 HA ALA A 52 11.115 -8.587 -10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.789 -7.881 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.718 -9.653 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.177 -8.873 -7.682 1.00 0.00 H new ATOM 524 N ARG A 53 14.112 -7.626 -9.657 1.00 0.00 N ATOM 525 CA ARG A 53 15.074 -6.543 -9.774 1.00 0.00 C ATOM 526 C ARG A 53 15.182 -6.085 -11.230 1.00 0.00 C ATOM 527 O ARG A 53 15.218 -4.887 -11.507 1.00 0.00 O ATOM 528 CB ARG A 53 16.455 -6.977 -9.279 1.00 0.00 C ATOM 529 CG ARG A 53 17.475 -5.849 -9.443 1.00 0.00 C ATOM 530 CD ARG A 53 18.884 -6.327 -9.084 1.00 0.00 C ATOM 531 NE ARG A 53 19.143 -6.099 -7.645 1.00 0.00 N ATOM 532 CZ ARG A 53 20.052 -6.776 -6.929 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.793 -7.726 -7.515 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.219 -6.502 -5.628 1.00 0.00 N ATOM 0 H ARG A 53 14.497 -8.502 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 53 14.722 -5.718 -9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.395 -7.268 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.785 -7.855 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.461 -5.488 -10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.199 -5.009 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.988 -7.387 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.622 -5.794 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 53 18.596 -5.382 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.665 -7.934 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.485 -8.241 -6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.655 -5.778 -5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.911 -7.017 -5.083 1.00 0.00 H new ATOM 548 N GLU A 54 15.232 -7.063 -12.123 1.00 0.00 N ATOM 549 CA GLU A 54 15.335 -6.776 -13.543 1.00 0.00 C ATOM 550 C GLU A 54 13.973 -6.358 -14.101 1.00 0.00 C ATOM 551 O GLU A 54 13.897 -5.534 -15.011 1.00 0.00 O ATOM 552 CB GLU A 54 15.896 -7.978 -14.306 1.00 0.00 C ATOM 553 CG GLU A 54 17.425 -7.946 -14.333 1.00 0.00 C ATOM 554 CD GLU A 54 17.935 -6.789 -15.194 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.196 -6.281 -16.051 1.00 0.00 O ATOM 556 OE2 GLU A 54 19.145 -6.417 -14.947 1.00 0.00 O ATOM 0 H GLU A 54 15.203 -8.056 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 54 16.030 -5.947 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.556 -8.901 -13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.511 -7.978 -15.326 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.808 -7.844 -13.318 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.805 -8.890 -14.724 1.00 0.00 H new ATOM 564 N LYS A 55 12.931 -6.947 -13.533 1.00 0.00 N ATOM 565 CA LYS A 55 11.576 -6.646 -13.962 1.00 0.00 C ATOM 566 C LYS A 55 11.285 -5.164 -13.718 1.00 0.00 C ATOM 567 O LYS A 55 10.885 -4.447 -14.634 1.00 0.00 O ATOM 568 CB LYS A 55 10.578 -7.588 -13.285 1.00 0.00 C ATOM 569 CG LYS A 55 9.397 -7.892 -14.210 1.00 0.00 C ATOM 570 CD LYS A 55 8.910 -9.330 -14.022 1.00 0.00 C ATOM 571 CE LYS A 55 9.535 -10.261 -15.063 1.00 0.00 C ATOM 572 NZ LYS A 55 9.100 -9.881 -16.426 1.00 0.00 N ATOM 0 H LYS A 55 12.998 -7.631 -12.779 1.00 0.00 H new ATOM 0 HA LYS A 55 11.468 -6.820 -15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.078 -8.517 -13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.215 -7.136 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.582 -7.198 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.694 -7.737 -15.247 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.164 -9.676 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.824 -9.364 -14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.622 -10.214 -14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.247 -11.292 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.044 -10.731 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.164 -9.429 -16.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.785 -9.215 -16.836 1.00 0.00 H new ATOM 586 N PHE A 56 11.498 -4.749 -12.478 1.00 0.00 N ATOM 587 CA PHE A 56 11.263 -3.365 -12.101 1.00 0.00 C ATOM 588 C PHE A 56 12.341 -2.448 -12.684 1.00 0.00 C ATOM 589 O PHE A 56 12.051 -1.325 -13.092 1.00 0.00 O ATOM 590 CB PHE A 56 11.326 -3.300 -10.574 1.00 0.00 C ATOM 591 CG PHE A 56 12.695 -2.894 -10.025 1.00 0.00 C ATOM 592 CD1 PHE A 56 13.187 -1.651 -10.275 1.00 0.00 C ATOM 593 CD2 PHE A 56 13.420 -3.776 -9.286 1.00 0.00 C ATOM 594 CE1 PHE A 56 14.458 -1.274 -9.765 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.691 -3.400 -8.776 1.00 0.00 C ATOM 596 CZ PHE A 56 15.183 -2.157 -9.026 1.00 0.00 C ATOM 0 H PHE A 56 11.831 -5.347 -11.721 1.00 0.00 H new ATOM 0 HA PHE A 56 10.297 -3.034 -12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.579 -2.590 -10.220 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.057 -4.275 -10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.611 -0.950 -10.861 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.029 -4.763 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.849 -0.287 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.267 -4.101 -8.190 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.149 -1.871 -8.638 1.00 0.00 H new ATOM 606 N GLU A 57 13.562 -2.962 -12.705 1.00 0.00 N ATOM 607 CA GLU A 57 14.684 -2.204 -13.230 1.00 0.00 C ATOM 608 C GLU A 57 14.427 -1.818 -14.689 1.00 0.00 C ATOM 609 O GLU A 57 14.824 -0.740 -15.128 1.00 0.00 O ATOM 610 CB GLU A 57 15.990 -2.990 -13.093 1.00 0.00 C ATOM 611 CG GLU A 57 17.111 -2.337 -13.904 1.00 0.00 C ATOM 612 CD GLU A 57 18.484 -2.720 -13.348 1.00 0.00 C ATOM 613 OE1 GLU A 57 19.485 -2.057 -13.657 1.00 0.00 O ATOM 614 OE2 GLU A 57 18.489 -3.747 -12.568 1.00 0.00 O ATOM 0 H GLU A 57 13.799 -3.895 -12.367 1.00 0.00 H new ATOM 0 HA GLU A 57 14.786 -1.290 -12.644 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.279 -3.042 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.839 -4.014 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.038 -2.646 -14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.996 -1.253 -13.884 1.00 0.00 H new ATOM 622 N LYS A 58 13.765 -2.720 -15.398 1.00 0.00 N ATOM 623 CA LYS A 58 13.451 -2.487 -16.798 1.00 0.00 C ATOM 624 C LYS A 58 12.201 -1.609 -16.896 1.00 0.00 C ATOM 625 O LYS A 58 11.792 -1.226 -17.991 1.00 0.00 O ATOM 626 CB LYS A 58 13.329 -3.815 -17.548 1.00 0.00 C ATOM 627 CG LYS A 58 12.268 -3.729 -18.646 1.00 0.00 C ATOM 628 CD LYS A 58 12.080 -5.083 -19.334 1.00 0.00 C ATOM 629 CE LYS A 58 10.828 -5.082 -20.214 1.00 0.00 C ATOM 630 NZ LYS A 58 9.614 -4.904 -19.387 1.00 0.00 N ATOM 0 H LYS A 58 13.437 -3.613 -15.030 1.00 0.00 H new ATOM 0 HA LYS A 58 14.262 -1.945 -17.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.291 -4.078 -17.987 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.070 -4.609 -16.848 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.321 -3.400 -18.217 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.561 -2.981 -19.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.956 -5.311 -19.942 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.000 -5.869 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.894 -4.281 -20.950 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.764 -6.019 -20.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.792 -5.297 -19.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.736 -5.398 -18.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.460 -3.891 -19.211 1.00 0.00 H new ATOM 754 N VAL A 67 16.298 -0.171 -5.600 1.00 0.00 N ATOM 755 CA VAL A 67 16.541 -1.540 -6.022 1.00 0.00 C ATOM 756 C VAL A 67 16.497 -2.461 -4.801 1.00 0.00 C ATOM 757 O VAL A 67 15.761 -3.446 -4.788 1.00 0.00 O ATOM 758 CB VAL A 67 17.863 -1.625 -6.788 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.045 -1.276 -5.882 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.044 -3.007 -7.418 1.00 0.00 C ATOM 0 HA VAL A 67 15.762 -1.872 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 67 17.831 -0.892 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.972 -1.344 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.926 -0.261 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.081 -1.974 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.991 -3.040 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.044 -3.766 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.226 -3.201 -8.111 1.00 0.00 H new ATOM 770 N GLU A 68 17.296 -2.108 -3.805 1.00 0.00 N ATOM 771 CA GLU A 68 17.358 -2.891 -2.582 1.00 0.00 C ATOM 772 C GLU A 68 15.986 -2.930 -1.907 1.00 0.00 C ATOM 773 O GLU A 68 15.642 -3.911 -1.248 1.00 0.00 O ATOM 774 CB GLU A 68 18.422 -2.338 -1.631 1.00 0.00 C ATOM 775 CG GLU A 68 18.905 -3.419 -0.662 1.00 0.00 C ATOM 776 CD GLU A 68 19.959 -4.313 -1.319 1.00 0.00 C ATOM 777 OE1 GLU A 68 19.954 -4.476 -2.549 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.806 -4.846 -0.506 1.00 0.00 O ATOM 0 H GLU A 68 17.906 -1.291 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 68 17.643 -3.911 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.266 -1.956 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.012 -1.498 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.323 -2.952 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.060 -4.026 -0.337 1.00 0.00 H new ATOM 786 N GLU A 69 15.238 -1.853 -2.094 1.00 0.00 N ATOM 787 CA GLU A 69 13.911 -1.752 -1.511 1.00 0.00 C ATOM 788 C GLU A 69 12.922 -2.620 -2.291 1.00 0.00 C ATOM 789 O GLU A 69 12.088 -3.303 -1.698 1.00 0.00 O ATOM 790 CB GLU A 69 13.443 -0.296 -1.462 1.00 0.00 C ATOM 791 CG GLU A 69 14.367 0.547 -0.581 1.00 0.00 C ATOM 792 CD GLU A 69 13.992 0.409 0.896 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.607 1.401 1.534 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.111 -0.781 1.380 1.00 0.00 O ATOM 0 H GLU A 69 15.526 -1.042 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 69 13.957 -2.119 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.420 0.117 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.425 -0.250 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.401 0.234 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.305 1.594 -0.879 1.00 0.00 H new ATOM 802 N LEU A 70 13.046 -2.565 -3.609 1.00 0.00 N ATOM 803 CA LEU A 70 12.173 -3.337 -4.477 1.00 0.00 C ATOM 804 C LEU A 70 12.406 -4.829 -4.229 1.00 0.00 C ATOM 805 O LEU A 70 11.463 -5.571 -3.957 1.00 0.00 O ATOM 806 CB LEU A 70 12.362 -2.920 -5.936 1.00 0.00 C ATOM 807 CG LEU A 70 11.338 -1.927 -6.488 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.188 -2.656 -7.186 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.838 -0.987 -5.389 1.00 0.00 C ATOM 0 H LEU A 70 13.739 -1.997 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 70 11.128 -3.133 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.355 -2.484 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.339 -3.817 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 70 11.831 -1.310 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.474 -1.927 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.581 -3.248 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.688 -3.313 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.111 -0.291 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.367 -1.570 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.679 -0.429 -4.977 1.00 0.00 H new ATOM 821 N VAL A 71 13.666 -5.224 -4.330 1.00 0.00 N ATOM 822 CA VAL A 71 14.034 -6.614 -4.120 1.00 0.00 C ATOM 823 C VAL A 71 13.689 -7.017 -2.685 1.00 0.00 C ATOM 824 O VAL A 71 13.247 -8.139 -2.441 1.00 0.00 O ATOM 825 CB VAL A 71 15.512 -6.821 -4.461 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.735 -6.790 -5.974 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.388 -5.784 -3.756 1.00 0.00 C ATOM 0 H VAL A 71 14.446 -4.606 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 71 13.466 -7.265 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 71 15.804 -7.807 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.793 -6.939 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.154 -7.583 -6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.417 -5.825 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.433 -5.954 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.093 -4.783 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.263 -5.875 -2.677 1.00 0.00 H new ATOM 837 N LYS A 72 13.905 -6.081 -1.773 1.00 0.00 N ATOM 838 CA LYS A 72 13.623 -6.325 -0.369 1.00 0.00 C ATOM 839 C LYS A 72 12.122 -6.560 -0.189 1.00 0.00 C ATOM 840 O LYS A 72 11.714 -7.449 0.557 1.00 0.00 O ATOM 841 CB LYS A 72 14.175 -5.188 0.494 1.00 0.00 C ATOM 842 CG LYS A 72 13.676 -5.302 1.936 1.00 0.00 C ATOM 843 CD LYS A 72 12.346 -4.567 2.115 1.00 0.00 C ATOM 844 CE LYS A 72 12.575 -3.110 2.522 1.00 0.00 C ATOM 845 NZ LYS A 72 11.439 -2.612 3.329 1.00 0.00 N ATOM 0 H LYS A 72 14.272 -5.152 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 72 14.131 -7.228 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.265 -5.212 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.872 -4.229 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.554 -6.352 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.420 -4.887 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.778 -4.604 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.747 -5.071 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.499 -3.027 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.695 -2.492 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.611 -1.622 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.564 -2.673 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.343 -3.191 4.188 1.00 0.00 H new ATOM 859 N LYS A 73 11.340 -5.747 -0.884 1.00 0.00 N ATOM 860 CA LYS A 73 9.893 -5.855 -0.810 1.00 0.00 C ATOM 861 C LYS A 73 9.443 -7.122 -1.540 1.00 0.00 C ATOM 862 O LYS A 73 8.386 -7.675 -1.238 1.00 0.00 O ATOM 863 CB LYS A 73 9.232 -4.577 -1.331 1.00 0.00 C ATOM 864 CG LYS A 73 8.090 -4.137 -0.413 1.00 0.00 C ATOM 865 CD LYS A 73 7.881 -2.623 -0.485 1.00 0.00 C ATOM 866 CE LYS A 73 8.464 -1.929 0.747 1.00 0.00 C ATOM 867 NZ LYS A 73 7.677 -2.269 1.954 1.00 0.00 N ATOM 0 H LYS A 73 11.681 -5.010 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 73 9.571 -5.952 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.974 -3.782 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.850 -4.745 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.171 -4.649 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.311 -4.429 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.353 -2.230 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.816 -2.403 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.502 -2.232 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.464 -0.849 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.798 -1.524 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.671 -2.347 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.008 -3.176 2.340 1.00 0.00 H new ATOM 881 N VAL A 74 10.266 -7.544 -2.488 1.00 0.00 N ATOM 882 CA VAL A 74 9.966 -8.736 -3.264 1.00 0.00 C ATOM 883 C VAL A 74 10.152 -9.973 -2.384 1.00 0.00 C ATOM 884 O VAL A 74 9.234 -10.778 -2.236 1.00 0.00 O ATOM 885 CB VAL A 74 10.827 -8.767 -4.529 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.595 -10.057 -5.318 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.566 -7.536 -5.400 1.00 0.00 C ATOM 0 H VAL A 74 11.141 -7.082 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 74 8.927 -8.725 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 74 11.873 -8.745 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.219 -10.054 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.855 -10.915 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.546 -10.123 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.190 -7.583 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.516 -7.513 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.805 -6.634 -4.836 1.00 0.00 H new ATOM 897 N VAL A 75 11.347 -10.086 -1.823 1.00 0.00 N ATOM 898 CA VAL A 75 11.666 -11.212 -0.961 1.00 0.00 C ATOM 899 C VAL A 75 10.837 -11.117 0.322 1.00 0.00 C ATOM 900 O VAL A 75 10.440 -12.136 0.885 1.00 0.00 O ATOM 901 CB VAL A 75 13.172 -11.260 -0.698 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.580 -10.215 0.343 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.609 -12.661 -0.268 1.00 0.00 C ATOM 0 H VAL A 75 12.106 -9.416 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 75 11.405 -12.152 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 75 13.683 -11.021 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.655 -10.270 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.320 -9.220 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.056 -10.409 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.684 -12.667 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.086 -12.941 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.369 -13.375 -1.056 1.00 0.00 H new ATOM 913 N ALA A 76 10.600 -9.884 0.745 1.00 0.00 N ATOM 914 CA ALA A 76 9.826 -9.643 1.951 1.00 0.00 C ATOM 915 C ALA A 76 8.396 -10.145 1.742 1.00 0.00 C ATOM 916 O ALA A 76 7.880 -10.916 2.550 1.00 0.00 O ATOM 917 CB ALA A 76 9.876 -8.155 2.301 1.00 0.00 C ATOM 0 H ALA A 76 10.930 -9.041 0.274 1.00 0.00 H new ATOM 0 HA ALA A 76 10.248 -10.190 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.295 -7.974 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.911 -7.855 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.458 -7.574 1.479 1.00 0.00 H new ATOM 923 N VAL A 77 7.795 -9.687 0.654 1.00 0.00 N ATOM 924 CA VAL A 77 6.434 -10.079 0.329 1.00 0.00 C ATOM 925 C VAL A 77 6.383 -11.593 0.111 1.00 0.00 C ATOM 926 O VAL A 77 5.521 -12.274 0.664 1.00 0.00 O ATOM 927 CB VAL A 77 5.935 -9.284 -0.879 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.849 -10.055 -1.632 1.00 0.00 C ATOM 929 CG2 VAL A 77 5.432 -7.902 -0.456 1.00 0.00 C ATOM 0 H VAL A 77 8.226 -9.048 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 77 5.761 -9.846 1.155 1.00 0.00 H new ATOM 0 HB VAL A 77 6.777 -9.142 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.512 -9.468 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.253 -11.005 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.007 -10.242 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.083 -7.358 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.611 -8.015 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.244 -7.348 0.016 1.00 0.00 H new ATOM 939 N CYS A 78 7.317 -12.074 -0.696 1.00 0.00 N ATOM 940 CA CYS A 78 7.389 -13.495 -0.994 1.00 0.00 C ATOM 941 C CYS A 78 7.519 -14.256 0.326 1.00 0.00 C ATOM 942 O CYS A 78 6.910 -15.311 0.501 1.00 0.00 O ATOM 943 CB CYS A 78 8.538 -13.814 -1.953 1.00 0.00 C ATOM 944 SG CYS A 78 8.950 -15.595 -1.865 1.00 0.00 S ATOM 0 H CYS A 78 8.030 -11.506 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 78 6.479 -13.809 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.257 -13.547 -2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.413 -13.217 -1.697 1.00 0.00 H new ATOM 0 HG CYS A 78 9.925 -15.856 -2.684 1.00 0.00 H new ATOM 950 N GLU A 79 8.316 -13.693 1.222 1.00 0.00 N ATOM 951 CA GLU A 79 8.534 -14.306 2.521 1.00 0.00 C ATOM 952 C GLU A 79 7.309 -14.104 3.415 1.00 0.00 C ATOM 953 O GLU A 79 7.031 -14.924 4.288 1.00 0.00 O ATOM 954 CB GLU A 79 9.795 -13.750 3.185 1.00 0.00 C ATOM 955 CG GLU A 79 10.239 -14.639 4.349 1.00 0.00 C ATOM 956 CD GLU A 79 10.742 -15.993 3.844 1.00 0.00 C ATOM 957 OE1 GLU A 79 11.930 -16.129 3.515 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.851 -16.924 3.801 1.00 0.00 O ATOM 0 H GLU A 79 8.819 -12.818 1.074 1.00 0.00 H new ATOM 0 HA GLU A 79 8.681 -15.376 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.597 -13.680 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.605 -12.739 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.028 -14.140 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.405 -14.790 5.035 1.00 0.00 H new ATOM 966 N GLU A 80 6.609 -13.006 3.166 1.00 0.00 N ATOM 967 CA GLU A 80 5.420 -12.686 3.938 1.00 0.00 C ATOM 968 C GLU A 80 4.265 -13.606 3.539 1.00 0.00 C ATOM 969 O GLU A 80 3.316 -13.783 4.302 1.00 0.00 O ATOM 970 CB GLU A 80 5.035 -11.215 3.766 1.00 0.00 C ATOM 971 CG GLU A 80 5.715 -10.343 4.822 1.00 0.00 C ATOM 972 CD GLU A 80 5.754 -8.878 4.382 1.00 0.00 C ATOM 973 OE1 GLU A 80 5.742 -7.975 5.231 1.00 0.00 O ATOM 974 OE2 GLU A 80 5.800 -8.694 3.106 1.00 0.00 O ATOM 0 H GLU A 80 6.843 -12.328 2.441 1.00 0.00 H new ATOM 0 HA GLU A 80 5.640 -12.849 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.320 -10.875 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.953 -11.107 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.180 -10.428 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.730 -10.701 4.996 1.00 0.00 H new ATOM 982 N LEU A 81 4.383 -14.168 2.345 1.00 0.00 N ATOM 983 CA LEU A 81 3.360 -15.065 1.836 1.00 0.00 C ATOM 984 C LEU A 81 3.610 -16.475 2.375 1.00 0.00 C ATOM 985 O LEU A 81 2.709 -17.313 2.374 1.00 0.00 O ATOM 986 CB LEU A 81 3.295 -14.993 0.309 1.00 0.00 C ATOM 987 CG LEU A 81 2.811 -13.667 -0.280 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.308 -13.855 -1.713 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.754 -13.022 0.619 1.00 0.00 C ATOM 0 H LEU A 81 5.172 -14.019 1.715 1.00 0.00 H new ATOM 0 HA LEU A 81 2.375 -14.758 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.289 -15.203 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.637 -15.787 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 81 3.658 -12.982 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.970 -12.897 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.117 -14.239 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.479 -14.563 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.426 -12.081 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.901 -13.693 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.181 -12.832 1.604 1.00 0.00 H new ATOM 1001 N GLY A 82 4.837 -16.693 2.824 1.00 0.00 N ATOM 1002 CA GLY A 82 5.217 -17.987 3.364 1.00 0.00 C ATOM 1003 C GLY A 82 4.457 -19.118 2.668 1.00 0.00 C ATOM 1004 O GLY A 82 3.940 -20.020 3.324 1.00 0.00 O ATOM 0 H GLY A 82 5.581 -15.995 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.290 -18.135 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.013 -18.012 4.434 1.00 0.00 H new ATOM 1008 N ALA A 83 4.414 -19.032 1.346 1.00 0.00 N ATOM 1009 CA ALA A 83 3.726 -20.036 0.553 1.00 0.00 C ATOM 1010 C ALA A 83 4.740 -20.760 -0.336 1.00 0.00 C ATOM 1011 O ALA A 83 5.617 -20.129 -0.924 1.00 0.00 O ATOM 1012 CB ALA A 83 2.610 -19.372 -0.256 1.00 0.00 C ATOM 0 H ALA A 83 4.845 -18.282 0.805 1.00 0.00 H new ATOM 0 HA ALA A 83 3.261 -20.782 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.094 -20.126 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.901 -18.898 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.039 -18.619 -0.917 1.00 0.00 H new ATOM 1018 N GLU A 84 4.585 -22.074 -0.407 1.00 0.00 N ATOM 1019 CA GLU A 84 5.475 -22.890 -1.215 1.00 0.00 C ATOM 1020 C GLU A 84 4.699 -24.034 -1.870 1.00 0.00 C ATOM 1021 O GLU A 84 5.277 -25.062 -2.219 1.00 0.00 O ATOM 1022 CB GLU A 84 6.639 -23.425 -0.378 1.00 0.00 C ATOM 1023 CG GLU A 84 7.468 -22.280 0.206 1.00 0.00 C ATOM 1024 CD GLU A 84 8.917 -22.713 0.434 1.00 0.00 C ATOM 1025 OE1 GLU A 84 9.829 -22.207 -0.237 1.00 0.00 O ATOM 1026 OE2 GLU A 84 9.081 -23.608 1.349 1.00 0.00 O ATOM 0 H GLU A 84 3.856 -22.594 0.082 1.00 0.00 H new ATOM 0 HA GLU A 84 5.894 -22.264 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.254 -24.048 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.274 -24.060 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.442 -21.426 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.030 -21.953 1.149 1.00 0.00 H new ATOM 1034 N GLU A 85 3.400 -23.816 -2.018 1.00 0.00 N ATOM 1035 CA GLU A 85 2.539 -24.816 -2.625 1.00 0.00 C ATOM 1036 C GLU A 85 1.073 -24.526 -2.294 1.00 0.00 C ATOM 1037 O GLU A 85 0.773 -23.924 -1.264 1.00 0.00 O ATOM 1038 CB GLU A 85 2.933 -26.225 -2.177 1.00 0.00 C ATOM 1039 CG GLU A 85 3.688 -26.962 -3.285 1.00 0.00 C ATOM 1040 CD GLU A 85 3.024 -28.304 -3.602 1.00 0.00 C ATOM 1041 OE1 GLU A 85 3.023 -29.210 -2.755 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.495 -28.388 -4.775 1.00 0.00 O ATOM 0 H GLU A 85 2.924 -22.962 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 85 2.664 -24.766 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.556 -26.166 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.040 -26.787 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.716 -26.345 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.721 -27.127 -2.979 1.00 0.00 H new ATOM 1050 N CYS A 86 0.200 -24.967 -3.187 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.227 -24.762 -3.003 1.00 0.00 C ATOM 1052 C CYS A 86 -1.829 -26.050 -2.439 1.00 0.00 C ATOM 1053 O CYS A 86 -2.267 -26.917 -3.193 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.910 -24.335 -4.305 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.706 -24.670 -4.207 1.00 0.00 S ATOM 0 H CYS A 86 0.453 -25.466 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.392 -23.947 -2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.739 -23.274 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.476 -24.874 -5.147 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.994 -25.708 -4.935 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.831 -26.135 -1.117 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.372 -27.303 -0.443 1.00 0.00 C ATOM 1062 C PHE A 87 -3.822 -27.554 -0.860 1.00 0.00 C ATOM 1063 O PHE A 87 -4.288 -28.693 -0.845 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.329 -27.013 1.059 1.00 0.00 C ATOM 1065 CG PHE A 87 -3.535 -26.226 1.576 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -4.721 -26.859 1.783 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.422 -24.895 1.827 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -5.841 -26.129 2.262 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -4.541 -24.165 2.307 1.00 0.00 C ATOM 1070 CZ PHE A 87 -5.727 -24.797 2.514 1.00 0.00 C ATOM 0 H PHE A 87 -1.467 -25.414 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.789 -28.186 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.266 -27.958 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.420 -26.455 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.811 -27.917 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.481 -24.392 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.783 -26.631 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.450 -23.108 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.578 -24.242 2.878 1.00 0.00 H new ATOM 1080 N SER A 88 -4.496 -26.473 -1.223 1.00 0.00 N ATOM 1081 CA SER A 88 -5.884 -26.562 -1.643 1.00 0.00 C ATOM 1082 C SER A 88 -6.010 -27.515 -2.834 1.00 0.00 C ATOM 1083 O SER A 88 -7.108 -27.961 -3.162 1.00 0.00 O ATOM 1084 CB SER A 88 -6.439 -25.183 -2.007 1.00 0.00 C ATOM 1085 OG SER A 88 -6.281 -24.247 -0.943 1.00 0.00 O ATOM 0 H SER A 88 -4.107 -25.530 -1.235 1.00 0.00 H new ATOM 0 HA SER A 88 -6.469 -26.951 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.931 -24.811 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.496 -25.272 -2.258 1.00 0.00 H new ATOM 0 HG SER A 88 -6.112 -24.728 -0.106 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.870 -27.798 -3.447 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.839 -28.690 -4.594 1.00 0.00 C ATOM 1093 C CYS A 89 -5.457 -30.027 -4.179 1.00 0.00 C ATOM 1094 O CYS A 89 -6.200 -30.637 -4.947 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.420 -28.862 -5.139 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.128 -27.681 -6.506 1.00 0.00 S ATOM 0 H CYS A 89 -3.961 -27.426 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.421 -28.259 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.693 -28.697 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.279 -29.883 -5.493 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.920 -27.833 -6.961 1.00 0.00 H new