USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 415 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 60 MET CE :methyl -175:sc= 0 (180deg=-0.0382) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 105:sc= 1.09 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0983) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 57 THR OG1 : rot -59:sc= 0.992 USER MOD Single : A 62 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -99:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 90.166 -16.578 0.433 1.00 0.00 N ATOM 36 CA LEU A 15 90.585 -16.125 1.757 1.00 0.00 C ATOM 37 C LEU A 15 91.226 -14.740 1.694 1.00 0.00 C ATOM 38 O LEU A 15 90.985 -13.895 2.556 1.00 0.00 O ATOM 39 CB LEU A 15 91.568 -17.121 2.372 1.00 0.00 C ATOM 40 CG LEU A 15 91.093 -18.576 2.388 1.00 0.00 C ATOM 41 CD1 LEU A 15 92.217 -19.499 2.835 1.00 0.00 C ATOM 42 CD2 LEU A 15 89.879 -18.730 3.295 1.00 0.00 C ATOM 0 HA LEU A 15 89.695 -16.062 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 92.507 -17.068 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 15 91.781 -16.813 3.396 1.00 0.00 H new ATOM 0 HG LEU A 15 90.803 -18.856 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 91.861 -20.529 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 15 93.057 -19.409 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 15 92.539 -19.221 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 89.554 -19.771 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 90.143 -18.432 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 89.070 -18.097 2.930 1.00 0.00 H new ATOM 54 N THR A 16 92.050 -14.516 0.673 1.00 0.00 N ATOM 55 CA THR A 16 92.733 -13.234 0.502 1.00 0.00 C ATOM 56 C THR A 16 91.766 -12.060 0.635 1.00 0.00 C ATOM 57 O THR A 16 92.164 -10.960 1.019 1.00 0.00 O ATOM 58 CB THR A 16 93.428 -13.182 -0.859 1.00 0.00 C ATOM 59 OG1 THR A 16 94.023 -11.914 -1.071 1.00 0.00 O ATOM 60 CG2 THR A 16 92.492 -13.449 -2.017 1.00 0.00 C ATOM 0 H THR A 16 92.262 -15.205 -0.049 1.00 0.00 H new ATOM 0 HA THR A 16 93.478 -13.149 1.293 1.00 0.00 H new ATOM 0 HB THR A 16 94.180 -13.970 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 16 94.464 -11.902 -1.946 1.00 0.00 H new ATOM 0 HG21 THR A 16 93.048 -13.397 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 16 92.054 -14.441 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 16 91.699 -12.701 -2.024 1.00 0.00 H new ATOM 68 N GLN A 17 90.498 -12.297 0.314 1.00 0.00 N ATOM 69 CA GLN A 17 89.483 -11.254 0.400 1.00 0.00 C ATOM 70 C GLN A 17 89.410 -10.677 1.811 1.00 0.00 C ATOM 71 O GLN A 17 89.244 -9.471 1.992 1.00 0.00 O ATOM 72 CB GLN A 17 88.116 -11.808 -0.009 1.00 0.00 C ATOM 73 CG GLN A 17 87.923 -11.900 -1.514 1.00 0.00 C ATOM 74 CD GLN A 17 86.635 -12.605 -1.895 1.00 0.00 C ATOM 75 OE1 GLN A 17 85.823 -12.071 -2.651 1.00 0.00 O ATOM 76 NE2 GLN A 17 86.444 -13.811 -1.374 1.00 0.00 N ATOM 0 H GLN A 17 90.150 -13.200 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 17 89.763 -10.454 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 17 87.990 -12.799 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 17 87.336 -11.174 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 17 87.923 -10.896 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 17 88.767 -12.431 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 17 87.144 -14.215 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 17 85.597 -14.334 -1.596 1.00 0.00 H new ATOM 85 N VAL A 18 89.540 -11.548 2.808 1.00 0.00 N ATOM 86 CA VAL A 18 89.488 -11.132 4.206 1.00 0.00 C ATOM 87 C VAL A 18 90.639 -10.192 4.553 1.00 0.00 C ATOM 88 O VAL A 18 90.479 -9.264 5.345 1.00 0.00 O ATOM 89 CB VAL A 18 89.545 -12.346 5.149 1.00 0.00 C ATOM 90 CG1 VAL A 18 89.297 -11.920 6.587 1.00 0.00 C ATOM 91 CG2 VAL A 18 88.542 -13.407 4.718 1.00 0.00 C ATOM 0 H VAL A 18 89.682 -12.549 2.673 1.00 0.00 H new ATOM 0 HA VAL A 18 88.542 -10.608 4.340 1.00 0.00 H new ATOM 0 HB VAL A 18 90.544 -12.779 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.341 -12.793 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 18 90.059 -11.202 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 18 88.312 -11.459 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.598 -14.258 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 18 87.536 -12.988 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.773 -13.736 3.705 1.00 0.00 H new ATOM 101 N LYS A 19 91.798 -10.442 3.955 1.00 0.00 N ATOM 102 CA LYS A 19 92.981 -9.625 4.199 1.00 0.00 C ATOM 103 C LYS A 19 92.734 -8.190 3.780 1.00 0.00 C ATOM 104 O LYS A 19 92.801 -7.269 4.595 1.00 0.00 O ATOM 105 CB LYS A 19 94.167 -10.181 3.422 1.00 0.00 C ATOM 106 CG LYS A 19 94.480 -11.634 3.738 1.00 0.00 C ATOM 107 CD LYS A 19 95.977 -11.902 3.706 1.00 0.00 C ATOM 108 CE LYS A 19 96.273 -13.391 3.624 1.00 0.00 C ATOM 109 NZ LYS A 19 96.355 -14.016 4.972 1.00 0.00 N ATOM 0 H LYS A 19 91.944 -11.206 3.296 1.00 0.00 H new ATOM 0 HA LYS A 19 93.200 -9.649 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 93.967 -10.086 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 19 95.047 -9.574 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 19 94.085 -11.887 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 19 93.978 -12.280 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 96.421 -11.394 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 19 96.442 -11.486 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 19 95.495 -13.884 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 19 97.213 -13.546 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 96.558 -15.031 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 97.115 -13.563 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 95.450 -13.891 5.468 1.00 0.00 H new ATOM 123 N GLU A 20 92.438 -8.010 2.501 1.00 0.00 N ATOM 124 CA GLU A 20 92.166 -6.683 1.966 1.00 0.00 C ATOM 125 C GLU A 20 91.001 -6.042 2.709 1.00 0.00 C ATOM 126 O GLU A 20 90.837 -4.823 2.697 1.00 0.00 O ATOM 127 CB GLU A 20 91.861 -6.762 0.469 1.00 0.00 C ATOM 128 CG GLU A 20 93.056 -7.176 -0.374 1.00 0.00 C ATOM 129 CD GLU A 20 94.103 -6.084 -0.478 1.00 0.00 C ATOM 130 OE1 GLU A 20 94.612 -5.647 0.576 1.00 0.00 O ATOM 131 OE2 GLU A 20 94.415 -5.666 -1.613 1.00 0.00 O ATOM 0 H GLU A 20 92.380 -8.763 1.816 1.00 0.00 H new ATOM 0 HA GLU A 20 93.053 -6.065 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 20 91.050 -7.473 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 20 91.505 -5.790 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 20 93.509 -8.068 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 20 92.715 -7.444 -1.374 1.00 0.00 H new ATOM 138 N SER A 21 90.196 -6.877 3.360 1.00 0.00 N ATOM 139 CA SER A 21 89.052 -6.405 4.117 1.00 0.00 C ATOM 140 C SER A 21 89.492 -5.812 5.451 1.00 0.00 C ATOM 141 O SER A 21 89.222 -4.647 5.742 1.00 0.00 O ATOM 142 CB SER A 21 88.091 -7.566 4.345 1.00 0.00 C ATOM 143 OG SER A 21 86.771 -7.224 3.959 1.00 0.00 O ATOM 0 H SER A 21 90.320 -7.889 3.375 1.00 0.00 H new ATOM 0 HA SER A 21 88.550 -5.620 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 88.425 -8.434 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 21 88.103 -7.850 5.397 1.00 0.00 H new ATOM 0 HG SER A 21 86.177 -7.987 4.114 1.00 0.00 H new ATOM 149 N LEU A 22 90.174 -6.620 6.254 1.00 0.00 N ATOM 150 CA LEU A 22 90.655 -6.173 7.555 1.00 0.00 C ATOM 151 C LEU A 22 91.663 -5.042 7.387 1.00 0.00 C ATOM 152 O LEU A 22 91.758 -4.150 8.230 1.00 0.00 O ATOM 153 CB LEU A 22 91.293 -7.339 8.317 1.00 0.00 C ATOM 154 CG LEU A 22 90.578 -7.732 9.612 1.00 0.00 C ATOM 155 CD1 LEU A 22 89.362 -8.593 9.309 1.00 0.00 C ATOM 156 CD2 LEU A 22 91.531 -8.462 10.545 1.00 0.00 C ATOM 0 H LEU A 22 90.406 -7.587 6.027 1.00 0.00 H new ATOM 0 HA LEU A 22 89.806 -5.803 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 91.327 -8.208 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 22 92.324 -7.078 8.554 1.00 0.00 H new ATOM 0 HG LEU A 22 90.239 -6.823 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 88.866 -8.863 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 22 88.670 -8.036 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 89.677 -9.498 8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 22 91.006 -8.734 11.461 1.00 0.00 H new ATOM 0 HD22 LEU A 22 91.899 -9.364 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 22 92.372 -7.812 10.788 1.00 0.00 H new ATOM 168 N SER A 23 92.412 -5.085 6.290 1.00 0.00 N ATOM 169 CA SER A 23 93.413 -4.063 6.009 1.00 0.00 C ATOM 170 C SER A 23 92.751 -2.742 5.643 1.00 0.00 C ATOM 171 O SER A 23 93.236 -1.672 6.007 1.00 0.00 O ATOM 172 CB SER A 23 94.338 -4.517 4.879 1.00 0.00 C ATOM 173 OG SER A 23 95.315 -3.532 4.592 1.00 0.00 O ATOM 0 H SER A 23 92.345 -5.816 5.582 1.00 0.00 H new ATOM 0 HA SER A 23 94.006 -3.914 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 23 94.829 -5.449 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 23 93.750 -4.722 3.984 1.00 0.00 H new ATOM 0 HG SER A 23 95.894 -3.847 3.867 1.00 0.00 H new ATOM 178 N SER A 24 91.637 -2.823 4.928 1.00 0.00 N ATOM 179 CA SER A 24 90.910 -1.628 4.522 1.00 0.00 C ATOM 180 C SER A 24 90.358 -0.903 5.739 1.00 0.00 C ATOM 181 O SER A 24 90.289 0.326 5.766 1.00 0.00 O ATOM 182 CB SER A 24 89.769 -1.985 3.576 1.00 0.00 C ATOM 183 OG SER A 24 90.261 -2.445 2.329 1.00 0.00 O ATOM 0 H SER A 24 91.218 -3.700 4.618 1.00 0.00 H new ATOM 0 HA SER A 24 91.606 -0.971 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 24 89.145 -2.755 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 24 89.136 -1.112 3.420 1.00 0.00 H new ATOM 0 HG SER A 24 90.152 -3.417 2.273 1.00 0.00 H new ATOM 189 N TYR A 25 89.976 -1.672 6.757 1.00 0.00 N ATOM 190 CA TYR A 25 89.445 -1.108 7.980 1.00 0.00 C ATOM 191 C TYR A 25 90.443 -0.120 8.566 1.00 0.00 C ATOM 192 O TYR A 25 90.071 0.929 9.092 1.00 0.00 O ATOM 193 CB TYR A 25 89.170 -2.241 8.958 1.00 0.00 C ATOM 194 CG TYR A 25 87.826 -2.148 9.643 1.00 0.00 C ATOM 195 CD1 TYR A 25 87.503 -1.053 10.435 1.00 0.00 C ATOM 196 CD2 TYR A 25 86.878 -3.153 9.495 1.00 0.00 C ATOM 197 CE1 TYR A 25 86.273 -0.963 11.059 1.00 0.00 C ATOM 198 CE2 TYR A 25 85.648 -3.070 10.116 1.00 0.00 C ATOM 199 CZ TYR A 25 85.350 -1.973 10.896 1.00 0.00 C ATOM 200 OH TYR A 25 84.124 -1.888 11.517 1.00 0.00 O ATOM 0 H TYR A 25 90.028 -2.691 6.751 1.00 0.00 H new ATOM 0 HA TYR A 25 88.517 -0.573 7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 25 89.230 -3.190 8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 25 89.953 -2.251 9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.224 -0.260 10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 25 87.107 -4.013 8.884 1.00 0.00 H new ATOM 0 HE1 TYR A 25 86.037 -0.105 11.671 1.00 0.00 H new ATOM 0 HE2 TYR A 25 84.923 -3.860 9.991 1.00 0.00 H new ATOM 0 HH TYR A 25 83.591 -2.681 11.298 1.00 0.00 H new ATOM 210 N TRP A 26 91.720 -0.465 8.442 1.00 0.00 N ATOM 211 CA TRP A 26 92.805 0.376 8.929 1.00 0.00 C ATOM 212 C TRP A 26 93.329 1.273 7.812 1.00 0.00 C ATOM 213 O TRP A 26 93.960 2.297 8.071 1.00 0.00 O ATOM 214 CB TRP A 26 93.939 -0.493 9.479 1.00 0.00 C ATOM 215 CG TRP A 26 93.640 -1.069 10.829 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.447 -1.574 11.256 1.00 0.00 C ATOM 217 CD2 TRP A 26 94.547 -1.193 11.930 1.00 0.00 C ATOM 218 NE1 TRP A 26 92.554 -2.001 12.557 1.00 0.00 N ATOM 219 CE2 TRP A 26 93.834 -1.779 12.993 1.00 0.00 C ATOM 220 CE3 TRP A 26 95.892 -0.866 12.121 1.00 0.00 C ATOM 221 CZ2 TRP A 26 94.421 -2.044 14.228 1.00 0.00 C ATOM 222 CZ3 TRP A 26 96.474 -1.129 13.348 1.00 0.00 C ATOM 223 CH2 TRP A 26 95.739 -1.714 14.387 1.00 0.00 C ATOM 0 H TRP A 26 92.030 -1.332 8.003 1.00 0.00 H new ATOM 0 HA TRP A 26 92.421 1.007 9.730 1.00 0.00 H new ATOM 0 HB2 TRP A 26 94.137 -1.306 8.780 1.00 0.00 H new ATOM 0 HB3 TRP A 26 94.849 0.104 9.539 1.00 0.00 H new ATOM 0 HD1 TRP A 26 91.549 -1.630 10.658 1.00 0.00 H new ATOM 0 HE1 TRP A 26 91.803 -2.416 13.109 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.467 -0.416 11.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 93.856 -2.494 15.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 97.513 -0.879 13.508 1.00 0.00 H new ATOM 0 HH2 TRP A 26 96.223 -1.908 15.333 1.00 0.00 H new ATOM 234 N GLU A 27 93.059 0.886 6.565 1.00 0.00 N ATOM 235 CA GLU A 27 93.506 1.662 5.413 1.00 0.00 C ATOM 236 C GLU A 27 92.804 3.013 5.364 1.00 0.00 C ATOM 237 O GLU A 27 93.417 4.031 5.042 1.00 0.00 O ATOM 238 CB GLU A 27 93.246 0.893 4.117 1.00 0.00 C ATOM 239 CG GLU A 27 94.105 1.361 2.952 1.00 0.00 C ATOM 240 CD GLU A 27 93.986 0.457 1.740 1.00 0.00 C ATOM 241 OE1 GLU A 27 92.845 0.199 1.303 1.00 0.00 O ATOM 242 OE2 GLU A 27 95.034 0.008 1.229 1.00 0.00 O ATOM 0 H GLU A 27 92.535 0.043 6.330 1.00 0.00 H new ATOM 0 HA GLU A 27 94.578 1.831 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 27 93.429 -0.168 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 27 92.195 0.995 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 27 93.814 2.374 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.147 1.404 3.268 1.00 0.00 H new ATOM 249 N SER A 28 91.515 3.017 5.691 1.00 0.00 N ATOM 250 CA SER A 28 90.736 4.248 5.688 1.00 0.00 C ATOM 251 C SER A 28 91.290 5.227 6.710 1.00 0.00 C ATOM 252 O SER A 28 91.349 6.432 6.464 1.00 0.00 O ATOM 253 CB SER A 28 89.265 3.949 5.977 1.00 0.00 C ATOM 254 OG SER A 28 88.655 5.000 6.707 1.00 0.00 O ATOM 0 H SER A 28 90.991 2.184 5.960 1.00 0.00 H new ATOM 0 HA SER A 28 90.808 4.702 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 28 88.732 3.799 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 28 89.185 3.019 6.540 1.00 0.00 H new ATOM 0 HG SER A 28 87.715 4.779 6.874 1.00 0.00 H new ATOM 260 N ALA A 29 91.718 4.698 7.852 1.00 0.00 N ATOM 261 CA ALA A 29 92.292 5.528 8.898 1.00 0.00 C ATOM 262 C ALA A 29 93.537 6.214 8.362 1.00 0.00 C ATOM 263 O ALA A 29 93.807 7.376 8.665 1.00 0.00 O ATOM 264 CB ALA A 29 92.622 4.691 10.125 1.00 0.00 C ATOM 0 H ALA A 29 91.677 3.703 8.073 1.00 0.00 H new ATOM 0 HA ALA A 29 91.567 6.285 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 29 93.051 5.330 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 29 91.712 4.226 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 93.340 3.917 9.855 1.00 0.00 H new ATOM 270 N LYS A 30 94.273 5.481 7.534 1.00 0.00 N ATOM 271 CA LYS A 30 95.485 6.004 6.916 1.00 0.00 C ATOM 272 C LYS A 30 95.132 6.929 5.757 1.00 0.00 C ATOM 273 O LYS A 30 95.891 7.838 5.420 1.00 0.00 O ATOM 274 CB LYS A 30 96.366 4.854 6.422 1.00 0.00 C ATOM 275 CG LYS A 30 97.730 4.799 7.092 1.00 0.00 C ATOM 276 CD LYS A 30 98.290 3.385 7.104 1.00 0.00 C ATOM 277 CE LYS A 30 99.761 3.363 6.723 1.00 0.00 C ATOM 278 NZ LYS A 30 99.953 3.173 5.258 1.00 0.00 N ATOM 0 H LYS A 30 94.050 4.520 7.275 1.00 0.00 H new ATOM 0 HA LYS A 30 96.037 6.574 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 30 95.848 3.911 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 30 96.503 4.950 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 98.420 5.460 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.649 5.168 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 30 98.164 2.951 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 97.724 2.763 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 30 100.230 4.297 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 100.264 2.560 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.970 3.164 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.528 2.270 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.496 3.953 4.744 1.00 0.00 H new ATOM 292 N THR A 31 93.968 6.695 5.153 1.00 0.00 N ATOM 293 CA THR A 31 93.508 7.505 4.037 1.00 0.00 C ATOM 294 C THR A 31 93.201 8.925 4.491 1.00 0.00 C ATOM 295 O THR A 31 93.570 9.894 3.827 1.00 0.00 O ATOM 296 CB THR A 31 92.260 6.884 3.423 1.00 0.00 C ATOM 297 OG1 THR A 31 92.528 5.577 2.945 1.00 0.00 O ATOM 298 CG2 THR A 31 91.702 7.690 2.277 1.00 0.00 C ATOM 0 H THR A 31 93.328 5.948 5.422 1.00 0.00 H new ATOM 0 HA THR A 31 94.301 7.541 3.291 1.00 0.00 H new ATOM 0 HB THR A 31 91.522 6.861 4.225 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.786 5.001 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 31 90.814 7.195 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 31 91.436 8.687 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 31 92.452 7.771 1.490 1.00 0.00 H new ATOM 306 N ALA A 32 92.525 9.042 5.631 1.00 0.00 N ATOM 307 CA ALA A 32 92.175 10.343 6.180 1.00 0.00 C ATOM 308 C ALA A 32 93.419 11.204 6.328 1.00 0.00 C ATOM 309 O ALA A 32 93.348 12.433 6.332 1.00 0.00 O ATOM 310 CB ALA A 32 91.474 10.185 7.521 1.00 0.00 C ATOM 0 H ALA A 32 92.210 8.250 6.191 1.00 0.00 H new ATOM 0 HA ALA A 32 91.490 10.837 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 32 91.220 11.168 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 32 90.564 9.600 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 32 92.136 9.673 8.219 1.00 0.00 H new ATOM 316 N ALA A 33 94.565 10.540 6.432 1.00 0.00 N ATOM 317 CA ALA A 33 95.838 11.231 6.564 1.00 0.00 C ATOM 318 C ALA A 33 96.317 11.720 5.203 1.00 0.00 C ATOM 319 O ALA A 33 96.921 12.785 5.092 1.00 0.00 O ATOM 320 CB ALA A 33 96.875 10.318 7.201 1.00 0.00 C ATOM 0 H ALA A 33 94.636 9.523 6.427 1.00 0.00 H new ATOM 0 HA ALA A 33 95.699 12.096 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 97.822 10.851 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.533 10.013 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 97.014 9.435 6.577 1.00 0.00 H new ATOM 326 N GLN A 34 96.033 10.934 4.169 1.00 0.00 N ATOM 327 CA GLN A 34 96.429 11.282 2.808 1.00 0.00 C ATOM 328 C GLN A 34 95.568 12.418 2.265 1.00 0.00 C ATOM 329 O GLN A 34 96.077 13.370 1.671 1.00 0.00 O ATOM 330 CB GLN A 34 96.311 10.059 1.896 1.00 0.00 C ATOM 331 CG GLN A 34 97.647 9.420 1.560 1.00 0.00 C ATOM 332 CD GLN A 34 97.783 8.017 2.121 1.00 0.00 C ATOM 333 OE1 GLN A 34 98.685 7.736 2.910 1.00 0.00 O ATOM 334 NE2 GLN A 34 96.881 7.130 1.719 1.00 0.00 N ATOM 0 H GLN A 34 95.529 10.050 4.248 1.00 0.00 H new ATOM 0 HA GLN A 34 97.467 11.615 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 34 95.674 9.317 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 34 95.815 10.353 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 34 97.767 9.387 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 34 98.452 10.043 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 34 96.150 7.407 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 34 96.919 6.171 2.066 1.00 0.00 H new ATOM 528 N ASP A 46 102.225 8.152 -6.640 1.00 0.00 N ATOM 529 CA ASP A 46 103.446 8.893 -6.940 1.00 0.00 C ATOM 530 C ASP A 46 104.646 7.957 -7.042 1.00 0.00 C ATOM 531 O ASP A 46 105.435 8.044 -7.983 1.00 0.00 O ATOM 532 CB ASP A 46 103.699 9.957 -5.867 1.00 0.00 C ATOM 533 CG ASP A 46 103.415 11.360 -6.367 1.00 0.00 C ATOM 534 OD1 ASP A 46 102.266 11.623 -6.780 1.00 0.00 O ATOM 535 OD2 ASP A 46 104.343 12.196 -6.345 1.00 0.00 O ATOM 0 HA ASP A 46 103.314 9.384 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 46 103.073 9.750 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 46 104.735 9.895 -5.535 1.00 0.00 H new ATOM 540 N GLU A 47 104.775 7.058 -6.073 1.00 0.00 N ATOM 541 CA GLU A 47 105.877 6.106 -6.063 1.00 0.00 C ATOM 542 C GLU A 47 105.670 5.030 -7.121 1.00 0.00 C ATOM 543 O GLU A 47 106.588 4.700 -7.872 1.00 0.00 O ATOM 544 CB GLU A 47 106.013 5.456 -4.689 1.00 0.00 C ATOM 545 CG GLU A 47 106.842 6.269 -3.709 1.00 0.00 C ATOM 546 CD GLU A 47 105.990 7.154 -2.820 1.00 0.00 C ATOM 547 OE1 GLU A 47 105.022 6.638 -2.223 1.00 0.00 O ATOM 548 OE2 GLU A 47 106.290 8.362 -2.722 1.00 0.00 O ATOM 0 H GLU A 47 104.132 6.969 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 47 106.793 6.652 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 47 105.019 5.302 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 106.466 4.472 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 47 107.429 5.593 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 47 107.548 6.888 -4.262 1.00 0.00 H new ATOM 555 N LYS A 48 104.458 4.488 -7.182 1.00 0.00 N ATOM 556 CA LYS A 48 104.134 3.457 -8.160 1.00 0.00 C ATOM 557 C LYS A 48 104.504 3.924 -9.563 1.00 0.00 C ATOM 558 O LYS A 48 104.816 3.118 -10.439 1.00 0.00 O ATOM 559 CB LYS A 48 102.645 3.110 -8.099 1.00 0.00 C ATOM 560 CG LYS A 48 102.249 1.966 -9.020 1.00 0.00 C ATOM 561 CD LYS A 48 101.297 2.429 -10.114 1.00 0.00 C ATOM 562 CE LYS A 48 99.879 1.943 -9.862 1.00 0.00 C ATOM 563 NZ LYS A 48 99.368 2.386 -8.536 1.00 0.00 N ATOM 0 H LYS A 48 103.686 4.745 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 48 104.711 2.563 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 102.383 2.848 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 102.063 3.994 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 48 103.143 1.537 -9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 101.777 1.176 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 48 101.305 3.518 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 48 101.643 2.059 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 99.222 2.317 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 48 99.853 0.855 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 98.336 2.261 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 99.810 1.817 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 99.600 3.389 -8.392 1.00 0.00 H new ATOM 577 N LEU A 49 104.476 5.238 -9.761 1.00 0.00 N ATOM 578 CA LEU A 49 104.814 5.832 -11.047 1.00 0.00 C ATOM 579 C LEU A 49 106.262 6.319 -11.055 1.00 0.00 C ATOM 580 O LEU A 49 106.874 6.450 -12.114 1.00 0.00 O ATOM 581 CB LEU A 49 103.872 6.999 -11.355 1.00 0.00 C ATOM 582 CG LEU A 49 102.580 6.616 -12.077 1.00 0.00 C ATOM 583 CD1 LEU A 49 101.569 7.749 -11.998 1.00 0.00 C ATOM 584 CD2 LEU A 49 102.867 6.255 -13.526 1.00 0.00 C ATOM 0 H LEU A 49 104.221 5.914 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 49 104.700 5.067 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 49 103.614 7.494 -10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 49 104.408 7.727 -11.964 1.00 0.00 H new ATOM 0 HG LEU A 49 102.155 5.742 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 49 100.656 7.459 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 49 101.341 7.961 -10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 49 101.985 8.641 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 101.936 5.985 -14.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 103.315 7.110 -14.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 103.556 5.411 -13.561 1.00 0.00 H new ATOM 596 N ARG A 50 106.805 6.587 -9.866 1.00 0.00 N ATOM 597 CA ARG A 50 108.182 7.062 -9.748 1.00 0.00 C ATOM 598 C ARG A 50 109.064 6.020 -9.065 1.00 0.00 C ATOM 599 O ARG A 50 110.027 6.362 -8.378 1.00 0.00 O ATOM 600 CB ARG A 50 108.225 8.374 -8.962 1.00 0.00 C ATOM 601 CG ARG A 50 109.277 9.349 -9.466 1.00 0.00 C ATOM 602 CD ARG A 50 108.846 10.791 -9.256 1.00 0.00 C ATOM 603 NE ARG A 50 108.706 11.120 -7.840 1.00 0.00 N ATOM 604 CZ ARG A 50 109.733 11.368 -7.031 1.00 0.00 C ATOM 605 NH1 ARG A 50 110.976 11.331 -7.495 1.00 0.00 N ATOM 606 NH2 ARG A 50 109.518 11.653 -5.753 1.00 0.00 N ATOM 0 H ARG A 50 106.315 6.484 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 50 108.566 7.233 -10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 50 107.246 8.850 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 50 108.419 8.153 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 50 110.219 9.170 -8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 50 109.459 9.173 -10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 50 109.577 11.458 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 50 107.897 10.963 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 50 107.765 11.162 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 50 111.148 11.112 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 50 111.759 11.522 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 50 108.565 11.682 -5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 50 110.306 11.843 -5.133 1.00 0.00 H new ATOM 620 N ASP A 51 108.732 4.748 -9.260 1.00 0.00 N ATOM 621 CA ASP A 51 109.497 3.657 -8.666 1.00 0.00 C ATOM 622 C ASP A 51 110.445 3.044 -9.689 1.00 0.00 C ATOM 623 O ASP A 51 111.631 2.856 -9.420 1.00 0.00 O ATOM 624 CB ASP A 51 108.552 2.585 -8.118 1.00 0.00 C ATOM 625 CG ASP A 51 108.274 2.763 -6.639 1.00 0.00 C ATOM 626 OD1 ASP A 51 108.295 3.920 -6.166 1.00 0.00 O ATOM 627 OD2 ASP A 51 108.034 1.748 -5.952 1.00 0.00 O ATOM 0 H ASP A 51 107.938 4.447 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 51 110.089 4.061 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.612 2.617 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 51 108.987 1.600 -8.287 1.00 0.00 H new ATOM 632 N LEU A 52 109.915 2.737 -10.869 1.00 0.00 N ATOM 633 CA LEU A 52 110.718 2.150 -11.938 1.00 0.00 C ATOM 634 C LEU A 52 111.974 2.978 -12.195 1.00 0.00 C ATOM 635 O LEU A 52 112.978 2.464 -12.684 1.00 0.00 O ATOM 636 CB LEU A 52 109.891 2.046 -13.222 1.00 0.00 C ATOM 637 CG LEU A 52 109.169 3.333 -13.632 1.00 0.00 C ATOM 638 CD1 LEU A 52 109.229 3.522 -15.141 1.00 0.00 C ATOM 639 CD2 LEU A 52 107.724 3.313 -13.152 1.00 0.00 C ATOM 0 H LEU A 52 108.935 2.884 -11.110 1.00 0.00 H new ATOM 0 HA LEU A 52 111.022 1.151 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 110.548 1.741 -14.036 1.00 0.00 H new ATOM 0 HB3 LEU A 52 109.151 1.256 -13.097 1.00 0.00 H new ATOM 0 HG LEU A 52 109.675 4.175 -13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 52 108.711 4.441 -15.413 1.00 0.00 H new ATOM 0 HD12 LEU A 52 110.270 3.584 -15.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 108.749 2.676 -15.633 1.00 0.00 H new ATOM 0 HD21 LEU A 52 107.228 4.236 -13.453 1.00 0.00 H new ATOM 0 HD22 LEU A 52 107.206 2.462 -13.593 1.00 0.00 H new ATOM 0 HD23 LEU A 52 107.703 3.227 -12.066 1.00 0.00 H new ATOM 651 N TYR A 53 111.908 4.264 -11.866 1.00 0.00 N ATOM 652 CA TYR A 53 113.035 5.169 -12.069 1.00 0.00 C ATOM 653 C TYR A 53 113.911 5.263 -10.822 1.00 0.00 C ATOM 654 O TYR A 53 115.111 5.004 -10.873 1.00 0.00 O ATOM 655 CB TYR A 53 112.523 6.562 -12.436 1.00 0.00 C ATOM 656 CG TYR A 53 113.392 7.272 -13.445 1.00 0.00 C ATOM 657 CD1 TYR A 53 114.649 7.748 -13.094 1.00 0.00 C ATOM 658 CD2 TYR A 53 112.964 7.454 -14.754 1.00 0.00 C ATOM 659 CE1 TYR A 53 115.454 8.386 -14.019 1.00 0.00 C ATOM 660 CE2 TYR A 53 113.762 8.092 -15.684 1.00 0.00 C ATOM 661 CZ TYR A 53 115.006 8.556 -15.312 1.00 0.00 C ATOM 662 OH TYR A 53 115.804 9.189 -16.236 1.00 0.00 O ATOM 0 H TYR A 53 111.084 4.704 -11.457 1.00 0.00 H new ATOM 0 HA TYR A 53 113.641 4.768 -12.882 1.00 0.00 H new ATOM 0 HB2 TYR A 53 111.512 6.476 -12.834 1.00 0.00 H new ATOM 0 HB3 TYR A 53 112.459 7.168 -11.532 1.00 0.00 H new ATOM 0 HD1 TYR A 53 115.003 7.617 -12.082 1.00 0.00 H new ATOM 0 HD2 TYR A 53 111.991 7.091 -15.050 1.00 0.00 H new ATOM 0 HE1 TYR A 53 116.429 8.750 -13.730 1.00 0.00 H new ATOM 0 HE2 TYR A 53 113.413 8.227 -16.697 1.00 0.00 H new ATOM 0 HH TYR A 53 115.340 9.226 -17.098 1.00 0.00 H new ATOM 672 N SER A 54 113.300 5.653 -9.709 1.00 0.00 N ATOM 673 CA SER A 54 114.021 5.809 -8.446 1.00 0.00 C ATOM 674 C SER A 54 114.010 4.528 -7.619 1.00 0.00 C ATOM 675 O SER A 54 114.021 4.578 -6.389 1.00 0.00 O ATOM 676 CB SER A 54 113.407 6.949 -7.632 1.00 0.00 C ATOM 677 OG SER A 54 113.740 8.211 -8.187 1.00 0.00 O ATOM 0 H SER A 54 112.304 5.868 -9.653 1.00 0.00 H new ATOM 0 HA SER A 54 115.058 6.041 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.323 6.836 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 54 113.761 6.896 -6.602 1.00 0.00 H new ATOM 0 HG SER A 54 113.334 8.922 -7.649 1.00 0.00 H new ATOM 683 N LYS A 55 113.999 3.381 -8.288 1.00 0.00 N ATOM 684 CA LYS A 55 113.998 2.101 -7.587 1.00 0.00 C ATOM 685 C LYS A 55 114.582 0.987 -8.451 1.00 0.00 C ATOM 686 O LYS A 55 115.365 0.169 -7.970 1.00 0.00 O ATOM 687 CB LYS A 55 112.579 1.733 -7.142 1.00 0.00 C ATOM 688 CG LYS A 55 112.500 1.254 -5.701 1.00 0.00 C ATOM 689 CD LYS A 55 111.680 -0.022 -5.579 1.00 0.00 C ATOM 690 CE LYS A 55 112.569 -1.248 -5.435 1.00 0.00 C ATOM 691 NZ LYS A 55 112.239 -2.034 -4.214 1.00 0.00 N ATOM 0 H LYS A 55 113.991 3.310 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 55 114.631 2.210 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 55 111.932 2.602 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 55 112.192 0.953 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 55 113.506 1.079 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 112.056 2.033 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 55 111.018 0.051 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 55 111.046 -0.133 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 55 112.459 -1.882 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 55 113.613 -0.937 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 112.867 -2.861 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 112.369 -1.438 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 111.250 -2.353 -4.263 1.00 0.00 H new ATOM 705 N SER A 56 114.205 0.955 -9.724 1.00 0.00 N ATOM 706 CA SER A 56 114.708 -0.074 -10.630 1.00 0.00 C ATOM 707 C SER A 56 115.980 0.379 -11.347 1.00 0.00 C ATOM 708 O SER A 56 116.571 -0.383 -12.111 1.00 0.00 O ATOM 709 CB SER A 56 113.643 -0.452 -11.657 1.00 0.00 C ATOM 710 OG SER A 56 112.443 -0.860 -11.023 1.00 0.00 O ATOM 0 H SER A 56 113.560 1.621 -10.150 1.00 0.00 H new ATOM 0 HA SER A 56 114.951 -0.948 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 56 113.443 0.399 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 56 114.015 -1.257 -12.291 1.00 0.00 H new ATOM 0 HG SER A 56 111.777 -1.095 -11.703 1.00 0.00 H new ATOM 716 N THR A 57 116.398 1.618 -11.101 1.00 0.00 N ATOM 717 CA THR A 57 117.602 2.149 -11.729 1.00 0.00 C ATOM 718 C THR A 57 118.597 2.631 -10.678 1.00 0.00 C ATOM 719 O THR A 57 119.806 2.471 -10.836 1.00 0.00 O ATOM 720 CB THR A 57 117.254 3.293 -12.689 1.00 0.00 C ATOM 721 OG1 THR A 57 117.223 4.534 -12.006 1.00 0.00 O ATOM 722 CG2 THR A 57 115.919 3.116 -13.381 1.00 0.00 C ATOM 0 H THR A 57 115.923 2.269 -10.475 1.00 0.00 H new ATOM 0 HA THR A 57 118.064 1.343 -12.299 1.00 0.00 H new ATOM 0 HB THR A 57 118.039 3.278 -13.445 1.00 0.00 H new ATOM 0 HG1 THR A 57 116.552 4.498 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 57 115.738 3.962 -14.044 1.00 0.00 H new ATOM 0 HG22 THR A 57 115.930 2.194 -13.963 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.126 3.064 -12.635 1.00 0.00 H new ATOM 730 N ALA A 58 118.080 3.219 -9.602 1.00 0.00 N ATOM 731 CA ALA A 58 118.929 3.722 -8.527 1.00 0.00 C ATOM 732 C ALA A 58 119.080 2.692 -7.417 1.00 0.00 C ATOM 733 O ALA A 58 120.195 2.362 -7.013 1.00 0.00 O ATOM 734 CB ALA A 58 118.370 5.024 -7.974 1.00 0.00 C ATOM 0 H ALA A 58 117.081 3.358 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 58 119.918 3.915 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 58 119.015 5.386 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 58 118.327 5.768 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 58 117.367 4.852 -7.583 1.00 0.00 H new ATOM 740 N ALA A 59 117.956 2.178 -6.934 1.00 0.00 N ATOM 741 CA ALA A 59 117.980 1.176 -5.880 1.00 0.00 C ATOM 742 C ALA A 59 118.575 -0.135 -6.387 1.00 0.00 C ATOM 743 O ALA A 59 118.858 -1.039 -5.601 1.00 0.00 O ATOM 744 CB ALA A 59 116.582 0.949 -5.323 1.00 0.00 C ATOM 0 H ALA A 59 117.023 2.437 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 59 118.615 1.548 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 59 116.622 0.196 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 59 116.198 1.883 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 59 115.924 0.605 -6.121 1.00 0.00 H new ATOM 750 N MET A 60 118.771 -0.234 -7.703 1.00 0.00 N ATOM 751 CA MET A 60 119.343 -1.438 -8.290 1.00 0.00 C ATOM 752 C MET A 60 120.865 -1.374 -8.248 1.00 0.00 C ATOM 753 O MET A 60 121.537 -2.375 -7.996 1.00 0.00 O ATOM 754 CB MET A 60 118.855 -1.618 -9.732 1.00 0.00 C ATOM 755 CG MET A 60 119.454 -0.625 -10.718 1.00 0.00 C ATOM 756 SD MET A 60 121.030 -1.183 -11.394 1.00 0.00 S ATOM 757 CE MET A 60 121.321 0.062 -12.647 1.00 0.00 C ATOM 0 H MET A 60 118.543 0.500 -8.374 1.00 0.00 H new ATOM 0 HA MET A 60 119.014 -2.298 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 60 119.093 -2.629 -10.061 1.00 0.00 H new ATOM 0 HB3 MET A 60 117.769 -1.523 -9.752 1.00 0.00 H new ATOM 0 HG2 MET A 60 118.751 -0.460 -11.534 1.00 0.00 H new ATOM 0 HG3 MET A 60 119.596 0.335 -10.221 1.00 0.00 H new ATOM 0 HE1 MET A 60 122.215 -0.195 -13.214 1.00 0.00 H new ATOM 0 HE2 MET A 60 120.465 0.108 -13.320 1.00 0.00 H new ATOM 0 HE3 MET A 60 121.460 1.032 -12.170 1.00 0.00 H new ATOM 767 N SER A 61 121.399 -0.182 -8.490 1.00 0.00 N ATOM 768 CA SER A 61 122.840 0.033 -8.474 1.00 0.00 C ATOM 769 C SER A 61 123.302 0.478 -7.089 1.00 0.00 C ATOM 770 O SER A 61 124.441 0.232 -6.695 1.00 0.00 O ATOM 771 CB SER A 61 123.233 1.077 -9.521 1.00 0.00 C ATOM 772 OG SER A 61 123.774 0.463 -10.677 1.00 0.00 O ATOM 0 H SER A 61 120.852 0.653 -8.700 1.00 0.00 H new ATOM 0 HA SER A 61 123.330 -0.910 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 61 122.359 1.668 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 61 123.963 1.766 -9.096 1.00 0.00 H new ATOM 0 HG SER A 61 124.015 1.152 -11.331 1.00 0.00 H new ATOM 778 N THR A 62 122.406 1.134 -6.355 1.00 0.00 N ATOM 779 CA THR A 62 122.720 1.611 -5.013 1.00 0.00 C ATOM 780 C THR A 62 122.796 0.447 -4.027 1.00 0.00 C ATOM 781 O THR A 62 123.421 0.556 -2.972 1.00 0.00 O ATOM 782 CB THR A 62 121.670 2.622 -4.549 1.00 0.00 C ATOM 783 OG1 THR A 62 121.612 3.727 -5.433 1.00 0.00 O ATOM 784 CG2 THR A 62 121.930 3.163 -3.158 1.00 0.00 C ATOM 0 H THR A 62 121.459 1.346 -6.667 1.00 0.00 H new ATOM 0 HA THR A 62 123.693 2.100 -5.046 1.00 0.00 H new ATOM 0 HB THR A 62 120.728 2.073 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 62 121.081 3.488 -6.221 1.00 0.00 H new ATOM 0 HG21 THR A 62 121.148 3.874 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 62 121.932 2.341 -2.442 1.00 0.00 H new ATOM 0 HG23 THR A 62 122.898 3.664 -3.137 1.00 0.00 H new ATOM 792 N TYR A 63 122.165 -0.669 -4.381 1.00 0.00 N ATOM 793 CA TYR A 63 122.166 -1.851 -3.540 1.00 0.00 C ATOM 794 C TYR A 63 123.555 -2.463 -3.488 1.00 0.00 C ATOM 795 O TYR A 63 123.950 -3.056 -2.484 1.00 0.00 O ATOM 796 CB TYR A 63 121.177 -2.860 -4.092 1.00 0.00 C ATOM 797 CG TYR A 63 120.220 -3.409 -3.058 1.00 0.00 C ATOM 798 CD1 TYR A 63 119.115 -2.675 -2.646 1.00 0.00 C ATOM 799 CD2 TYR A 63 120.425 -4.660 -2.491 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.241 -3.173 -1.698 1.00 0.00 C ATOM 801 CE2 TYR A 63 119.555 -5.165 -1.542 1.00 0.00 C ATOM 802 CZ TYR A 63 118.466 -4.417 -1.150 1.00 0.00 C ATOM 803 OH TYR A 63 117.599 -4.916 -0.206 1.00 0.00 O ATOM 0 H TYR A 63 121.644 -0.775 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 63 121.875 -1.569 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 63 120.603 -2.391 -4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 63 121.728 -3.688 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 63 118.936 -1.699 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 63 121.278 -5.248 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.386 -2.590 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 63 119.728 -6.140 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 63 117.900 -5.804 0.078 1.00 0.00 H new ATOM 813 N THR A 64 124.300 -2.300 -4.577 1.00 0.00 N ATOM 814 CA THR A 64 125.660 -2.821 -4.653 1.00 0.00 C ATOM 815 C THR A 64 126.473 -2.308 -3.473 1.00 0.00 C ATOM 816 O THR A 64 127.441 -2.934 -3.041 1.00 0.00 O ATOM 817 CB THR A 64 126.322 -2.409 -5.968 1.00 0.00 C ATOM 818 OG1 THR A 64 126.579 -1.016 -5.986 1.00 0.00 O ATOM 819 CG2 THR A 64 125.489 -2.739 -7.188 1.00 0.00 C ATOM 0 H THR A 64 123.986 -1.813 -5.416 1.00 0.00 H new ATOM 0 HA THR A 64 125.621 -3.910 -4.616 1.00 0.00 H new ATOM 0 HB THR A 64 127.248 -2.982 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 64 125.873 -0.560 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 64 126.017 -2.420 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 125.317 -3.814 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 64 124.532 -2.220 -7.126 1.00 0.00 H new ATOM 827 N GLY A 65 126.046 -1.167 -2.950 1.00 0.00 N ATOM 828 CA GLY A 65 126.708 -0.571 -1.809 1.00 0.00 C ATOM 829 C GLY A 65 126.050 -0.974 -0.505 1.00 0.00 C ATOM 830 O GLY A 65 126.664 -0.892 0.559 1.00 0.00 O ATOM 0 H GLY A 65 125.246 -0.640 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 65 127.755 -0.874 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 65 126.691 0.515 -1.905 1.00 0.00 H new ATOM 834 N ILE A 66 124.796 -1.419 -0.586 1.00 0.00 N ATOM 835 CA ILE A 66 124.062 -1.844 0.597 1.00 0.00 C ATOM 836 C ILE A 66 124.204 -3.346 0.817 1.00 0.00 C ATOM 837 O ILE A 66 123.884 -3.859 1.889 1.00 0.00 O ATOM 838 CB ILE A 66 122.568 -1.482 0.495 1.00 0.00 C ATOM 839 CG1 ILE A 66 122.402 0.001 0.161 1.00 0.00 C ATOM 840 CG2 ILE A 66 121.848 -1.825 1.792 1.00 0.00 C ATOM 841 CD1 ILE A 66 122.985 0.923 1.209 1.00 0.00 C ATOM 0 H ILE A 66 124.272 -1.493 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 66 124.493 -1.314 1.447 1.00 0.00 H new ATOM 0 HB ILE A 66 122.122 -2.067 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 66 122.879 0.205 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.341 0.222 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.794 -1.563 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 66 121.941 -2.893 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 66 122.293 -1.265 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 66 122.832 1.959 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 66 122.491 0.746 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 66 124.053 0.729 1.311 1.00 0.00 H new ATOM 853 N PHE A 67 124.692 -4.042 -0.202 1.00 0.00 N ATOM 854 CA PHE A 67 124.886 -5.479 -0.126 1.00 0.00 C ATOM 855 C PHE A 67 125.865 -5.835 0.986 1.00 0.00 C ATOM 856 O PHE A 67 125.578 -6.671 1.841 1.00 0.00 O ATOM 857 CB PHE A 67 125.403 -5.982 -1.469 1.00 0.00 C ATOM 858 CG PHE A 67 124.786 -7.282 -1.905 1.00 0.00 C ATOM 859 CD1 PHE A 67 123.468 -7.330 -2.331 1.00 0.00 C ATOM 860 CD2 PHE A 67 125.524 -8.455 -1.886 1.00 0.00 C ATOM 861 CE1 PHE A 67 122.898 -8.524 -2.729 1.00 0.00 C ATOM 862 CE2 PHE A 67 124.958 -9.652 -2.282 1.00 0.00 C ATOM 863 CZ PHE A 67 123.644 -9.687 -2.705 1.00 0.00 C ATOM 0 H PHE A 67 124.961 -3.629 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 67 123.934 -5.957 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 67 125.210 -5.225 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 67 126.484 -6.105 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 67 122.880 -6.424 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 67 126.553 -8.433 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.870 -8.548 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 67 125.543 -10.560 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 67 123.200 -10.621 -3.016 1.00 0.00 H new ATOM 873 N THR A 68 127.019 -5.185 0.961 1.00 0.00 N ATOM 874 CA THR A 68 128.057 -5.416 1.960 1.00 0.00 C ATOM 875 C THR A 68 127.710 -4.733 3.281 1.00 0.00 C ATOM 876 O THR A 68 128.182 -5.137 4.343 1.00 0.00 O ATOM 877 CB THR A 68 129.406 -4.905 1.450 1.00 0.00 C ATOM 878 OG1 THR A 68 129.340 -4.601 0.068 1.00 0.00 O ATOM 879 CG2 THR A 68 130.533 -5.894 1.648 1.00 0.00 C ATOM 0 H THR A 68 127.263 -4.489 0.256 1.00 0.00 H new ATOM 0 HA THR A 68 128.122 -6.490 2.135 1.00 0.00 H new ATOM 0 HB THR A 68 129.617 -4.013 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 68 130.212 -4.275 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 68 131.461 -5.470 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 68 130.644 -6.111 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 68 130.307 -6.815 1.111 1.00 0.00 H new ATOM 887 N ASP A 69 126.887 -3.689 3.207 1.00 0.00 N ATOM 888 CA ASP A 69 126.482 -2.947 4.398 1.00 0.00 C ATOM 889 C ASP A 69 125.896 -3.876 5.457 1.00 0.00 C ATOM 890 O ASP A 69 125.940 -3.576 6.650 1.00 0.00 O ATOM 891 CB ASP A 69 125.463 -1.867 4.031 1.00 0.00 C ATOM 892 CG ASP A 69 126.124 -0.576 3.590 1.00 0.00 C ATOM 893 OD1 ASP A 69 127.290 -0.627 3.146 1.00 0.00 O ATOM 894 OD2 ASP A 69 125.476 0.487 3.692 1.00 0.00 O ATOM 0 H ASP A 69 126.488 -3.339 2.336 1.00 0.00 H new ATOM 0 HA ASP A 69 127.372 -2.474 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 69 124.820 -2.235 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 69 124.822 -1.669 4.890 1.00 0.00 H new ATOM 899 N GLN A 70 125.352 -5.003 5.015 1.00 0.00 N ATOM 900 CA GLN A 70 124.761 -5.973 5.929 1.00 0.00 C ATOM 901 C GLN A 70 125.774 -7.046 6.329 1.00 0.00 C ATOM 902 O GLN A 70 125.426 -8.019 6.998 1.00 0.00 O ATOM 903 CB GLN A 70 123.534 -6.626 5.289 1.00 0.00 C ATOM 904 CG GLN A 70 122.224 -5.941 5.645 1.00 0.00 C ATOM 905 CD GLN A 70 121.042 -6.515 4.889 1.00 0.00 C ATOM 906 OE1 GLN A 70 121.209 -7.217 3.891 1.00 0.00 O ATOM 907 NE2 GLN A 70 119.837 -6.219 5.362 1.00 0.00 N ATOM 0 H GLN A 70 125.308 -5.268 4.031 1.00 0.00 H new ATOM 0 HA GLN A 70 124.455 -5.441 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 70 123.654 -6.621 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 70 123.485 -7.670 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.047 -6.038 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 70 122.305 -4.875 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.745 -5.634 6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 70 119.004 -6.577 4.895 1.00 0.00 H new ATOM 916 N VAL A 71 127.026 -6.864 5.914 1.00 0.00 N ATOM 917 CA VAL A 71 128.085 -7.816 6.228 1.00 0.00 C ATOM 918 C VAL A 71 128.913 -7.343 7.413 1.00 0.00 C ATOM 919 O VAL A 71 129.226 -8.120 8.311 1.00 0.00 O ATOM 920 CB VAL A 71 129.013 -8.024 5.017 1.00 0.00 C ATOM 921 CG1 VAL A 71 130.114 -9.024 5.340 1.00 0.00 C ATOM 922 CG2 VAL A 71 128.217 -8.473 3.802 1.00 0.00 C ATOM 0 H VAL A 71 127.330 -6.064 5.359 1.00 0.00 H new ATOM 0 HA VAL A 71 127.605 -8.761 6.482 1.00 0.00 H new ATOM 0 HB VAL A 71 129.484 -7.069 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 130.756 -9.153 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 71 130.708 -8.654 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 71 129.668 -9.982 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 71 128.891 -8.614 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 71 127.712 -9.413 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 71 127.476 -7.714 3.552 1.00 0.00 H new ATOM 932 N LEU A 72 129.251 -6.060 7.423 1.00 0.00 N ATOM 933 CA LEU A 72 130.025 -5.495 8.511 1.00 0.00 C ATOM 934 C LEU A 72 129.084 -4.995 9.597 1.00 0.00 C ATOM 935 O LEU A 72 129.455 -4.897 10.767 1.00 0.00 O ATOM 936 CB LEU A 72 130.930 -4.358 8.016 1.00 0.00 C ATOM 937 CG LEU A 72 130.415 -3.574 6.805 1.00 0.00 C ATOM 938 CD1 LEU A 72 130.881 -2.126 6.871 1.00 0.00 C ATOM 939 CD2 LEU A 72 130.883 -4.227 5.512 1.00 0.00 C ATOM 0 H LEU A 72 129.000 -5.396 6.690 1.00 0.00 H new ATOM 0 HA LEU A 72 130.669 -6.273 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 131.086 -3.659 8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 72 131.904 -4.778 7.766 1.00 0.00 H new ATOM 0 HG LEU A 72 129.325 -3.586 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 72 130.506 -1.583 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 72 130.500 -1.662 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 72 131.971 -2.094 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 72 130.509 -3.658 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 72 131.973 -4.244 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 72 130.503 -5.247 5.462 1.00 0.00 H new ATOM 951 N SER A 73 127.851 -4.698 9.198 1.00 0.00 N ATOM 952 CA SER A 73 126.838 -4.228 10.126 1.00 0.00 C ATOM 953 C SER A 73 126.365 -5.361 11.032 1.00 0.00 C ATOM 954 O SER A 73 125.780 -5.123 12.087 1.00 0.00 O ATOM 955 CB SER A 73 125.650 -3.648 9.360 1.00 0.00 C ATOM 956 OG SER A 73 124.633 -3.210 10.244 1.00 0.00 O ATOM 0 H SER A 73 127.532 -4.776 8.232 1.00 0.00 H new ATOM 0 HA SER A 73 127.280 -3.449 10.746 1.00 0.00 H new ATOM 0 HB2 SER A 73 125.984 -2.813 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 73 125.247 -4.402 8.684 1.00 0.00 H new ATOM 0 HG SER A 73 123.886 -2.842 9.727 1.00 0.00 H new ATOM 962 N VAL A 74 126.611 -6.598 10.607 1.00 0.00 N ATOM 963 CA VAL A 74 126.194 -7.762 11.381 1.00 0.00 C ATOM 964 C VAL A 74 127.365 -8.680 11.724 1.00 0.00 C ATOM 965 O VAL A 74 127.257 -9.512 12.625 1.00 0.00 O ATOM 966 CB VAL A 74 125.149 -8.586 10.610 1.00 0.00 C ATOM 967 CG1 VAL A 74 124.539 -9.655 11.505 1.00 0.00 C ATOM 968 CG2 VAL A 74 124.071 -7.681 10.032 1.00 0.00 C ATOM 0 H VAL A 74 127.094 -6.818 9.736 1.00 0.00 H new ATOM 0 HA VAL A 74 125.767 -7.374 12.305 1.00 0.00 H new ATOM 0 HB VAL A 74 125.651 -9.086 9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 74 123.803 -10.226 10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 74 125.323 -10.324 11.859 1.00 0.00 H new ATOM 0 HG13 VAL A 74 124.054 -9.181 12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 74 123.342 -8.284 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 74 123.572 -7.147 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 74 124.526 -6.963 9.350 1.00 0.00 H new ATOM 978 N LEU A 75 128.469 -8.557 10.992 1.00 0.00 N ATOM 979 CA LEU A 75 129.627 -9.422 11.230 1.00 0.00 C ATOM 980 C LEU A 75 130.852 -8.659 11.736 1.00 0.00 C ATOM 981 O LEU A 75 131.798 -9.273 12.230 1.00 0.00 O ATOM 982 CB LEU A 75 129.984 -10.181 9.952 1.00 0.00 C ATOM 983 CG LEU A 75 128.785 -10.705 9.159 1.00 0.00 C ATOM 984 CD1 LEU A 75 129.232 -11.253 7.813 1.00 0.00 C ATOM 985 CD2 LEU A 75 128.047 -11.771 9.955 1.00 0.00 C ATOM 0 H LEU A 75 128.589 -7.879 10.240 1.00 0.00 H new ATOM 0 HA LEU A 75 129.340 -10.120 12.016 1.00 0.00 H new ATOM 0 HB2 LEU A 75 130.568 -9.524 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 75 130.624 -11.023 10.214 1.00 0.00 H new ATOM 0 HG LEU A 75 128.101 -9.876 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 128.365 -11.621 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 75 129.715 -10.461 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 129.936 -12.070 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 75 127.197 -12.133 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 128.722 -12.600 10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 75 127.692 -11.344 10.893 1.00 0.00 H new ATOM 997 N LYS A 76 130.851 -7.335 11.613 1.00 0.00 N ATOM 998 CA LYS A 76 131.986 -6.544 12.067 1.00 0.00 C ATOM 999 C LYS A 76 131.657 -5.790 13.352 1.00 0.00 C ATOM 1000 O LYS A 76 132.545 -5.242 14.006 1.00 0.00 O ATOM 1001 CB LYS A 76 132.394 -5.560 10.977 1.00 0.00 C ATOM 1002 CG LYS A 76 133.558 -6.039 10.124 1.00 0.00 C ATOM 1003 CD LYS A 76 134.885 -5.879 10.847 1.00 0.00 C ATOM 1004 CE LYS A 76 136.049 -5.834 9.870 1.00 0.00 C ATOM 1005 NZ LYS A 76 136.564 -7.195 9.552 1.00 0.00 N ATOM 0 H LYS A 76 130.087 -6.794 11.208 1.00 0.00 H new ATOM 0 HA LYS A 76 132.813 -7.222 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 76 131.536 -5.371 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 76 132.661 -4.610 11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 76 133.410 -7.086 9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 76 133.581 -5.476 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 76 134.870 -4.964 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 76 135.024 -6.707 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 76 135.731 -5.343 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 136.853 -5.232 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 137.357 -7.119 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 136.891 -7.655 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 135.804 -7.763 9.125 1.00 0.00 H new ATOM 1019 N GLY A 77 130.377 -5.752 13.700 1.00 0.00 N ATOM 1020 CA GLY A 77 129.955 -5.049 14.892 1.00 0.00 C ATOM 1021 C GLY A 77 129.158 -3.815 14.544 1.00 0.00 C ATOM 1022 O GLY A 77 129.358 -2.749 15.126 1.00 0.00 O ATOM 0 H GLY A 77 129.624 -6.197 13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 77 129.352 -5.711 15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 77 130.829 -4.767 15.480 1.00 0.00 H new ATOM 1026 N GLU A 78 128.253 -3.965 13.583 1.00 0.00 N ATOM 1027 CA GLU A 78 127.419 -2.864 13.141 1.00 0.00 C ATOM 1028 C GLU A 78 128.259 -1.788 12.459 1.00 0.00 C ATOM 1029 O GLU A 78 128.216 -0.619 12.843 1.00 0.00 O ATOM 1030 CB GLU A 78 126.669 -2.287 14.333 1.00 0.00 C ATOM 1031 CG GLU A 78 125.294 -1.738 13.989 1.00 0.00 C ATOM 1032 CD GLU A 78 124.270 -2.015 15.072 1.00 0.00 C ATOM 1033 OE1 GLU A 78 124.363 -1.395 16.152 1.00 0.00 O ATOM 1034 OE2 GLU A 78 123.373 -2.854 14.841 1.00 0.00 O ATOM 0 H GLU A 78 128.081 -4.845 13.096 1.00 0.00 H new ATOM 0 HA GLU A 78 126.699 -3.234 12.411 1.00 0.00 H new ATOM 0 HB2 GLU A 78 126.560 -3.062 15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 78 127.267 -1.490 14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 78 125.366 -0.662 13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 78 124.955 -2.179 13.052 1.00 0.00 H new ATOM 1041 N GLU A 79 129.025 -2.186 11.441 1.00 0.00 N ATOM 1042 CA GLU A 79 129.868 -1.239 10.719 1.00 0.00 C ATOM 1043 C GLU A 79 129.413 -1.098 9.270 1.00 0.00 C ATOM 1044 O GLU A 79 128.793 -2.049 8.750 1.00 0.00 O ATOM 1045 CB GLU A 79 131.331 -1.682 10.771 1.00 0.00 C ATOM 1046 CG GLU A 79 131.928 -1.652 12.168 1.00 0.00 C ATOM 1047 CD GLU A 79 133.444 -1.691 12.154 1.00 0.00 C ATOM 1048 OE1 GLU A 79 134.015 -2.290 11.219 1.00 0.00 O ATOM 1049 OE2 GLU A 79 134.061 -1.121 13.080 1.00 0.00 O ATOM 0 H GLU A 79 129.077 -3.147 11.103 1.00 0.00 H new ATOM 0 HA GLU A 79 129.776 -0.267 11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 79 131.410 -2.694 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 79 131.920 -1.037 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 79 131.596 -0.750 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 79 131.551 -2.501 12.739 1.00 0.00 H new