USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=18 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= -0.0989 (180deg=-0.103) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -111:sc= 1.2 USER MOD Single : A 24 SER OG : rot 102:sc= 1.24 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= -1.15 K(o=-1.2,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -122:sc= 1.08 USER MOD Single : A 57 THR OG1 : rot -80:sc= 0.981 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 178:sc= -0.195 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) 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 92.230 -0.060 17.202 1.00 0.00 N ATOM 36 CA LEU A 15 93.161 1.062 17.218 1.00 0.00 C ATOM 37 C LEU A 15 93.884 1.169 15.881 1.00 0.00 C ATOM 38 O LEU A 15 93.970 2.246 15.292 1.00 0.00 O ATOM 39 CB LEU A 15 94.176 0.889 18.351 1.00 0.00 C ATOM 40 CG LEU A 15 93.582 0.444 19.691 1.00 0.00 C ATOM 41 CD1 LEU A 15 94.435 -0.649 20.319 1.00 0.00 C ATOM 42 CD2 LEU A 15 93.444 1.630 20.638 1.00 0.00 C ATOM 0 HA LEU A 15 92.597 1.980 17.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 94.923 0.158 18.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 94.698 1.835 18.498 1.00 0.00 H new ATOM 0 HG LEU A 15 92.588 0.037 19.506 1.00 0.00 H new ATOM 0 HD11 LEU A 15 93.996 -0.952 21.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 94.477 -1.508 19.649 1.00 0.00 H new ATOM 0 HD13 LEU A 15 95.443 -0.271 20.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 93.020 1.293 21.584 1.00 0.00 H new ATOM 0 HD22 LEU A 15 94.425 2.070 20.816 1.00 0.00 H new ATOM 0 HD23 LEU A 15 92.787 2.377 20.192 1.00 0.00 H new ATOM 54 N THR A 16 94.392 0.037 15.403 1.00 0.00 N ATOM 55 CA THR A 16 95.101 -0.009 14.129 1.00 0.00 C ATOM 56 C THR A 16 94.168 0.339 12.974 1.00 0.00 C ATOM 57 O THR A 16 94.609 0.816 11.928 1.00 0.00 O ATOM 58 CB THR A 16 95.698 -1.400 13.906 1.00 0.00 C ATOM 59 OG1 THR A 16 96.427 -1.443 12.692 1.00 0.00 O ATOM 60 CG2 THR A 16 94.655 -2.495 13.855 1.00 0.00 C ATOM 0 H THR A 16 94.325 -0.862 15.880 1.00 0.00 H new ATOM 0 HA THR A 16 95.904 0.728 14.163 1.00 0.00 H new ATOM 0 HB THR A 16 96.348 -1.578 14.763 1.00 0.00 H new ATOM 0 HG1 THR A 16 96.802 -2.340 12.567 1.00 0.00 H new ATOM 0 HG21 THR A 16 95.144 -3.456 13.695 1.00 0.00 H new ATOM 0 HG22 THR A 16 94.107 -2.519 14.797 1.00 0.00 H new ATOM 0 HG23 THR A 16 93.962 -2.300 13.037 1.00 0.00 H new ATOM 68 N GLN A 17 92.877 0.090 13.169 1.00 0.00 N ATOM 69 CA GLN A 17 91.883 0.375 12.144 1.00 0.00 C ATOM 70 C GLN A 17 91.783 1.874 11.882 1.00 0.00 C ATOM 71 O GLN A 17 91.536 2.298 10.755 1.00 0.00 O ATOM 72 CB GLN A 17 90.517 -0.176 12.564 1.00 0.00 C ATOM 73 CG GLN A 17 90.122 -1.448 11.835 1.00 0.00 C ATOM 74 CD GLN A 17 89.397 -1.171 10.530 1.00 0.00 C ATOM 75 OE1 GLN A 17 88.612 -0.228 10.430 1.00 0.00 O ATOM 76 NE2 GLN A 17 89.658 -1.997 9.523 1.00 0.00 N ATOM 0 H GLN A 17 92.496 -0.308 14.027 1.00 0.00 H new ATOM 0 HA GLN A 17 92.197 -0.114 11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 17 90.528 -0.371 13.636 1.00 0.00 H new ATOM 0 HB3 GLN A 17 89.758 0.585 12.386 1.00 0.00 H new ATOM 0 HG2 GLN A 17 91.015 -2.039 11.632 1.00 0.00 H new ATOM 0 HG3 GLN A 17 89.483 -2.049 12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 17 90.316 -2.766 9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 17 89.200 -1.863 8.621 1.00 0.00 H new ATOM 85 N VAL A 18 91.971 2.670 12.933 1.00 0.00 N ATOM 86 CA VAL A 18 91.895 4.123 12.821 1.00 0.00 C ATOM 87 C VAL A 18 93.059 4.684 12.007 1.00 0.00 C ATOM 88 O VAL A 18 92.884 5.605 11.210 1.00 0.00 O ATOM 89 CB VAL A 18 91.891 4.791 14.208 1.00 0.00 C ATOM 90 CG1 VAL A 18 91.628 6.286 14.082 1.00 0.00 C ATOM 91 CG2 VAL A 18 90.860 4.133 15.113 1.00 0.00 C ATOM 0 H VAL A 18 92.177 2.331 13.873 1.00 0.00 H new ATOM 0 HA VAL A 18 90.959 4.347 12.308 1.00 0.00 H new ATOM 0 HB VAL A 18 92.874 4.657 14.659 1.00 0.00 H new ATOM 0 HG11 VAL A 18 91.629 6.740 15.073 1.00 0.00 H new ATOM 0 HG12 VAL A 18 92.408 6.743 13.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 90.659 6.446 13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.871 4.618 16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 18 89.870 4.233 14.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.100 3.076 15.230 1.00 0.00 H new ATOM 101 N LYS A 19 94.245 4.124 12.213 1.00 0.00 N ATOM 102 CA LYS A 19 95.435 4.569 11.501 1.00 0.00 C ATOM 103 C LYS A 19 95.272 4.355 10.007 1.00 0.00 C ATOM 104 O LYS A 19 95.331 5.298 9.218 1.00 0.00 O ATOM 105 CB LYS A 19 96.654 3.797 11.993 1.00 0.00 C ATOM 106 CG LYS A 19 97.924 4.630 12.050 1.00 0.00 C ATOM 107 CD LYS A 19 98.481 4.891 10.659 1.00 0.00 C ATOM 108 CE LYS A 19 99.467 6.049 10.662 1.00 0.00 C ATOM 109 NZ LYS A 19 99.336 6.893 9.442 1.00 0.00 N ATOM 0 H LYS A 19 94.408 3.360 12.869 1.00 0.00 H new ATOM 0 HA LYS A 19 95.574 5.633 11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 19 96.445 3.401 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 19 96.820 2.942 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 19 97.716 5.579 12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 98.672 4.114 12.652 1.00 0.00 H new ATOM 0 HD2 LYS A 19 98.975 3.992 10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 19 97.663 5.110 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 99.303 6.663 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 19 100.483 5.660 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.048 7.651 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 99.484 6.306 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 98.385 7.312 9.410 1.00 0.00 H new ATOM 123 N GLU A 20 95.058 3.101 9.631 1.00 0.00 N ATOM 124 CA GLU A 20 94.871 2.746 8.233 1.00 0.00 C ATOM 125 C GLU A 20 93.686 3.503 7.643 1.00 0.00 C ATOM 126 O GLU A 20 93.556 3.620 6.425 1.00 0.00 O ATOM 127 CB GLU A 20 94.657 1.237 8.092 1.00 0.00 C ATOM 128 CG GLU A 20 95.951 0.438 8.094 1.00 0.00 C ATOM 129 CD GLU A 20 95.841 -0.849 8.886 1.00 0.00 C ATOM 130 OE1 GLU A 20 95.086 -1.747 8.459 1.00 0.00 O ATOM 131 OE2 GLU A 20 96.509 -0.959 9.936 1.00 0.00 O ATOM 0 H GLU A 20 95.010 2.313 10.277 1.00 0.00 H new ATOM 0 HA GLU A 20 95.770 3.026 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 20 94.024 0.890 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 20 94.119 1.039 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 96.231 0.205 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.751 1.050 8.512 1.00 0.00 H new ATOM 138 N SER A 21 92.824 4.017 8.518 1.00 0.00 N ATOM 139 CA SER A 21 91.655 4.762 8.091 1.00 0.00 C ATOM 140 C SER A 21 92.033 6.181 7.685 1.00 0.00 C ATOM 141 O SER A 21 91.788 6.602 6.554 1.00 0.00 O ATOM 142 CB SER A 21 90.642 4.794 9.227 1.00 0.00 C ATOM 143 OG SER A 21 89.383 4.290 8.811 1.00 0.00 O ATOM 0 H SER A 21 92.919 3.927 9.530 1.00 0.00 H new ATOM 0 HA SER A 21 91.219 4.269 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 21 91.013 4.204 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 21 90.526 5.817 9.585 1.00 0.00 H new ATOM 0 HG SER A 21 88.754 4.321 9.562 1.00 0.00 H new ATOM 149 N LEU A 22 92.634 6.915 8.615 1.00 0.00 N ATOM 150 CA LEU A 22 93.052 8.283 8.347 1.00 0.00 C ATOM 151 C LEU A 22 94.138 8.300 7.281 1.00 0.00 C ATOM 152 O LEU A 22 94.213 9.220 6.468 1.00 0.00 O ATOM 153 CB LEU A 22 93.562 8.951 9.627 1.00 0.00 C ATOM 154 CG LEU A 22 92.483 9.292 10.659 1.00 0.00 C ATOM 155 CD1 LEU A 22 92.915 8.853 12.050 1.00 0.00 C ATOM 156 CD2 LEU A 22 92.180 10.782 10.641 1.00 0.00 C ATOM 0 H LEU A 22 92.841 6.586 9.558 1.00 0.00 H new ATOM 0 HA LEU A 22 92.190 8.842 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.294 8.293 10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 22 94.085 9.868 9.356 1.00 0.00 H new ATOM 0 HG LEU A 22 91.574 8.752 10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 92.135 9.104 12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 22 93.081 7.776 12.056 1.00 0.00 H new ATOM 0 HD13 LEU A 22 93.838 9.364 12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 91.411 11.006 11.381 1.00 0.00 H new ATOM 0 HD22 LEU A 22 93.086 11.340 10.879 1.00 0.00 H new ATOM 0 HD23 LEU A 22 91.826 11.069 9.651 1.00 0.00 H new ATOM 168 N SER A 23 94.970 7.265 7.287 1.00 0.00 N ATOM 169 CA SER A 23 96.049 7.150 6.317 1.00 0.00 C ATOM 170 C SER A 23 95.493 6.818 4.942 1.00 0.00 C ATOM 171 O SER A 23 95.943 7.359 3.933 1.00 0.00 O ATOM 172 CB SER A 23 97.047 6.075 6.752 1.00 0.00 C ATOM 173 OG SER A 23 98.126 5.981 5.838 1.00 0.00 O ATOM 0 H SER A 23 94.917 6.494 7.953 1.00 0.00 H new ATOM 0 HA SER A 23 96.566 8.108 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 23 97.428 6.309 7.746 1.00 0.00 H new ATOM 0 HB3 SER A 23 96.541 5.112 6.823 1.00 0.00 H new ATOM 0 HG SER A 23 98.071 5.131 5.353 1.00 0.00 H new ATOM 178 N SER A 24 94.506 5.929 4.912 1.00 0.00 N ATOM 179 CA SER A 24 93.881 5.525 3.661 1.00 0.00 C ATOM 180 C SER A 24 93.257 6.723 2.959 1.00 0.00 C ATOM 181 O SER A 24 93.251 6.801 1.731 1.00 0.00 O ATOM 182 CB SER A 24 92.814 4.468 3.912 1.00 0.00 C ATOM 183 OG SER A 24 93.378 3.168 3.947 1.00 0.00 O ATOM 0 H SER A 24 94.122 5.475 5.741 1.00 0.00 H new ATOM 0 HA SER A 24 94.656 5.104 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 92.310 4.674 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 24 92.058 4.518 3.129 1.00 0.00 H new ATOM 0 HG SER A 24 93.469 2.876 4.878 1.00 0.00 H new ATOM 189 N TYR A 25 92.739 7.662 3.747 1.00 0.00 N ATOM 190 CA TYR A 25 92.128 8.856 3.205 1.00 0.00 C ATOM 191 C TYR A 25 93.086 9.537 2.239 1.00 0.00 C ATOM 192 O TYR A 25 92.683 10.038 1.191 1.00 0.00 O ATOM 193 CB TYR A 25 91.766 9.785 4.354 1.00 0.00 C ATOM 194 CG TYR A 25 90.380 10.383 4.249 1.00 0.00 C ATOM 195 CD1 TYR A 25 89.252 9.611 4.494 1.00 0.00 C ATOM 196 CD2 TYR A 25 90.201 11.717 3.903 1.00 0.00 C ATOM 197 CE1 TYR A 25 87.983 10.150 4.396 1.00 0.00 C ATOM 198 CE2 TYR A 25 88.935 12.262 3.804 1.00 0.00 C ATOM 199 CZ TYR A 25 87.831 11.476 4.050 1.00 0.00 C ATOM 200 OH TYR A 25 86.569 12.017 3.952 1.00 0.00 O ATOM 0 H TYR A 25 92.734 7.611 4.766 1.00 0.00 H new ATOM 0 HA TYR A 25 91.223 8.597 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.843 9.234 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.497 10.593 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.368 8.572 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 25 91.064 12.337 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 25 87.116 9.536 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.812 13.301 3.535 1.00 0.00 H new ATOM 0 HH TYR A 25 86.637 12.962 3.700 1.00 0.00 H new ATOM 210 N TRP A 26 94.365 9.526 2.602 1.00 0.00 N ATOM 211 CA TRP A 26 95.411 10.122 1.775 1.00 0.00 C ATOM 212 C TRP A 26 96.168 9.045 0.999 1.00 0.00 C ATOM 213 O TRP A 26 96.870 9.348 0.033 1.00 0.00 O ATOM 214 CB TRP A 26 96.390 10.916 2.644 1.00 0.00 C ATOM 215 CG TRP A 26 95.794 12.156 3.238 1.00 0.00 C ATOM 216 CD1 TRP A 26 95.156 13.161 2.571 1.00 0.00 C ATOM 217 CD2 TRP A 26 95.784 12.524 4.622 1.00 0.00 C ATOM 218 NE1 TRP A 26 94.743 14.127 3.456 1.00 0.00 N ATOM 219 CE2 TRP A 26 95.119 13.759 4.721 1.00 0.00 C ATOM 220 CE3 TRP A 26 96.271 11.925 5.787 1.00 0.00 C ATOM 221 CZ2 TRP A 26 94.929 14.406 5.939 1.00 0.00 C ATOM 222 CZ3 TRP A 26 96.082 12.569 6.995 1.00 0.00 C ATOM 223 CH2 TRP A 26 95.416 13.798 7.063 1.00 0.00 C ATOM 0 H TRP A 26 94.704 9.108 3.469 1.00 0.00 H new ATOM 0 HA TRP A 26 94.935 10.797 1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 26 96.751 10.275 3.448 1.00 0.00 H new ATOM 0 HB3 TRP A 26 97.256 11.191 2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 26 94.999 13.192 1.503 1.00 0.00 H new ATOM 0 HE1 TRP A 26 94.239 14.979 3.211 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.786 10.976 5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 94.415 15.354 5.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 96.455 12.116 7.902 1.00 0.00 H new ATOM 0 HH2 TRP A 26 95.284 14.276 8.022 1.00 0.00 H new ATOM 234 N GLU A 27 96.023 7.787 1.418 1.00 0.00 N ATOM 235 CA GLU A 27 96.706 6.683 0.747 1.00 0.00 C ATOM 236 C GLU A 27 96.039 6.370 -0.586 1.00 0.00 C ATOM 237 O GLU A 27 96.710 6.028 -1.561 1.00 0.00 O ATOM 238 CB GLU A 27 96.717 5.436 1.638 1.00 0.00 C ATOM 239 CG GLU A 27 98.086 4.786 1.753 1.00 0.00 C ATOM 240 CD GLU A 27 98.134 3.715 2.827 1.00 0.00 C ATOM 241 OE1 GLU A 27 97.839 2.542 2.510 1.00 0.00 O ATOM 242 OE2 GLU A 27 98.467 4.049 3.983 1.00 0.00 O ATOM 0 H GLU A 27 95.444 7.510 2.211 1.00 0.00 H new ATOM 0 HA GLU A 27 97.736 6.985 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.368 5.708 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.010 4.708 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 27 98.357 4.346 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.830 5.551 1.974 1.00 0.00 H new ATOM 249 N SER A 28 94.717 6.499 -0.629 1.00 0.00 N ATOM 250 CA SER A 28 93.969 6.237 -1.850 1.00 0.00 C ATOM 251 C SER A 28 94.340 7.251 -2.920 1.00 0.00 C ATOM 252 O SER A 28 94.529 6.901 -4.084 1.00 0.00 O ATOM 253 CB SER A 28 92.467 6.278 -1.578 1.00 0.00 C ATOM 254 OG SER A 28 91.737 6.589 -2.754 1.00 0.00 O ATOM 0 H SER A 28 94.144 6.783 0.166 1.00 0.00 H new ATOM 0 HA SER A 28 94.227 5.240 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 28 92.140 5.314 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.255 7.021 -0.809 1.00 0.00 H new ATOM 0 HG SER A 28 90.779 6.607 -2.549 1.00 0.00 H new ATOM 260 N ALA A 29 94.476 8.509 -2.512 1.00 0.00 N ATOM 261 CA ALA A 29 94.862 9.560 -3.440 1.00 0.00 C ATOM 262 C ALA A 29 96.236 9.242 -4.002 1.00 0.00 C ATOM 263 O ALA A 29 96.518 9.478 -5.176 1.00 0.00 O ATOM 264 CB ALA A 29 94.863 10.915 -2.749 1.00 0.00 C ATOM 0 H ALA A 29 94.326 8.821 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 29 94.140 9.607 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 29 95.155 11.687 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 93.864 11.131 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 29 95.571 10.900 -1.920 1.00 0.00 H new ATOM 270 N LYS A 30 97.076 8.670 -3.145 1.00 0.00 N ATOM 271 CA LYS A 30 98.423 8.277 -3.529 1.00 0.00 C ATOM 272 C LYS A 30 98.384 6.978 -4.326 1.00 0.00 C ATOM 273 O LYS A 30 99.260 6.716 -5.150 1.00 0.00 O ATOM 274 CB LYS A 30 99.298 8.097 -2.288 1.00 0.00 C ATOM 275 CG LYS A 30 99.723 9.406 -1.644 1.00 0.00 C ATOM 276 CD LYS A 30 100.952 9.992 -2.323 1.00 0.00 C ATOM 277 CE LYS A 30 100.612 11.254 -3.102 1.00 0.00 C ATOM 278 NZ LYS A 30 101.732 11.679 -3.986 1.00 0.00 N ATOM 0 H LYS A 30 96.843 8.468 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 30 98.850 9.064 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.754 7.501 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 30 100.189 7.531 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 30 98.902 10.121 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 30 99.935 9.240 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 30 101.709 10.220 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 30 101.383 9.252 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.720 11.080 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 30 100.374 12.058 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 101.461 12.542 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 102.576 11.870 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 101.942 10.922 -4.668 1.00 0.00 H new ATOM 292 N THR A 31 97.357 6.168 -4.077 1.00 0.00 N ATOM 293 CA THR A 31 97.200 4.899 -4.770 1.00 0.00 C ATOM 294 C THR A 31 96.997 5.122 -6.264 1.00 0.00 C ATOM 295 O THR A 31 97.597 4.435 -7.089 1.00 0.00 O ATOM 296 CB THR A 31 96.014 4.134 -4.188 1.00 0.00 C ATOM 297 OG1 THR A 31 96.258 3.789 -2.833 1.00 0.00 O ATOM 298 CG2 THR A 31 95.695 2.864 -4.942 1.00 0.00 C ATOM 0 H THR A 31 96.623 6.372 -3.399 1.00 0.00 H new ATOM 0 HA THR A 31 98.108 4.313 -4.631 1.00 0.00 H new ATOM 0 HB THR A 31 95.161 4.807 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 31 96.356 4.606 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.843 2.369 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.453 3.106 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.559 2.199 -4.917 1.00 0.00 H new ATOM 306 N ALA A 32 96.152 6.092 -6.608 1.00 0.00 N ATOM 307 CA ALA A 32 95.887 6.400 -8.006 1.00 0.00 C ATOM 308 C ALA A 32 97.185 6.725 -8.730 1.00 0.00 C ATOM 309 O ALA A 32 97.286 6.582 -9.949 1.00 0.00 O ATOM 310 CB ALA A 32 94.900 7.552 -8.125 1.00 0.00 C ATOM 0 H ALA A 32 95.644 6.673 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 32 95.441 5.523 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 94.716 7.766 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 32 93.962 7.279 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.314 8.437 -7.642 1.00 0.00 H new ATOM 316 N ALA A 33 98.185 7.137 -7.959 1.00 0.00 N ATOM 317 CA ALA A 33 99.494 7.457 -8.515 1.00 0.00 C ATOM 318 C ALA A 33 100.305 6.181 -8.670 1.00 0.00 C ATOM 319 O ALA A 33 101.068 6.022 -9.623 1.00 0.00 O ATOM 320 CB ALA A 33 100.229 8.453 -7.630 1.00 0.00 C ATOM 0 H ALA A 33 98.114 7.257 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 33 99.359 7.917 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 33 101.203 8.677 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 99.646 9.371 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 100.365 8.026 -6.636 1.00 0.00 H new ATOM 326 N GLN A 34 100.114 5.264 -7.727 1.00 0.00 N ATOM 327 CA GLN A 34 100.802 3.982 -7.742 1.00 0.00 C ATOM 328 C GLN A 34 100.334 3.150 -8.932 1.00 0.00 C ATOM 329 O GLN A 34 101.141 2.621 -9.697 1.00 0.00 O ATOM 330 CB GLN A 34 100.528 3.235 -6.434 1.00 0.00 C ATOM 331 CG GLN A 34 101.559 3.506 -5.349 1.00 0.00 C ATOM 332 CD GLN A 34 101.043 4.442 -4.274 1.00 0.00 C ATOM 333 OE1 GLN A 34 101.395 5.621 -4.239 1.00 0.00 O ATOM 334 NE2 GLN A 34 100.205 3.918 -3.387 1.00 0.00 N ATOM 0 H GLN A 34 99.482 5.389 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 34 101.874 4.152 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 34 99.542 3.516 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 34 100.499 2.164 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 34 101.856 2.562 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 34 102.453 3.936 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.940 2.935 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 34 99.826 4.498 -2.639 1.00 0.00 H new ATOM 528 N ASP A 46 103.610 -9.061 -12.744 1.00 0.00 N ATOM 529 CA ASP A 46 105.017 -8.767 -12.507 1.00 0.00 C ATOM 530 C ASP A 46 105.309 -8.577 -11.023 1.00 0.00 C ATOM 531 O ASP A 46 106.418 -8.200 -10.647 1.00 0.00 O ATOM 532 CB ASP A 46 105.438 -7.521 -13.289 1.00 0.00 C ATOM 533 CG ASP A 46 106.713 -7.738 -14.081 1.00 0.00 C ATOM 534 OD1 ASP A 46 106.804 -8.760 -14.793 1.00 0.00 O ATOM 535 OD2 ASP A 46 107.620 -6.885 -13.990 1.00 0.00 O ATOM 0 HA ASP A 46 105.596 -9.622 -12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 46 104.636 -7.234 -13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 46 105.581 -6.692 -12.596 1.00 0.00 H new ATOM 540 N GLU A 47 104.317 -8.850 -10.183 1.00 0.00 N ATOM 541 CA GLU A 47 104.487 -8.717 -8.745 1.00 0.00 C ATOM 542 C GLU A 47 104.650 -10.085 -8.103 1.00 0.00 C ATOM 543 O GLU A 47 105.643 -10.359 -7.430 1.00 0.00 O ATOM 544 CB GLU A 47 103.287 -8.015 -8.126 1.00 0.00 C ATOM 545 CG GLU A 47 103.649 -6.782 -7.317 1.00 0.00 C ATOM 546 CD GLU A 47 103.336 -6.938 -5.841 1.00 0.00 C ATOM 547 OE1 GLU A 47 104.037 -7.720 -5.165 1.00 0.00 O ATOM 548 OE2 GLU A 47 102.390 -6.278 -5.361 1.00 0.00 O ATOM 0 H GLU A 47 103.391 -9.163 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 47 105.383 -8.122 -8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 47 102.597 -7.728 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 102.758 -8.718 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 104.712 -6.572 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 47 103.107 -5.922 -7.710 1.00 0.00 H new ATOM 555 N LYS A 48 103.664 -10.943 -8.331 1.00 0.00 N ATOM 556 CA LYS A 48 103.693 -12.293 -7.788 1.00 0.00 C ATOM 557 C LYS A 48 104.878 -13.050 -8.364 1.00 0.00 C ATOM 558 O LYS A 48 105.343 -14.035 -7.791 1.00 0.00 O ATOM 559 CB LYS A 48 102.387 -13.026 -8.107 1.00 0.00 C ATOM 560 CG LYS A 48 101.799 -13.768 -6.919 1.00 0.00 C ATOM 561 CD LYS A 48 100.489 -14.450 -7.282 1.00 0.00 C ATOM 562 CE LYS A 48 100.709 -15.895 -7.700 1.00 0.00 C ATOM 563 NZ LYS A 48 99.780 -16.307 -8.786 1.00 0.00 N ATOM 0 H LYS A 48 102.836 -10.728 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 48 103.798 -12.237 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 48 101.656 -12.305 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 102.566 -13.735 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 102.512 -14.512 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 48 101.632 -13.070 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 48 99.812 -14.416 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 48 100.007 -13.905 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 48 101.738 -16.023 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 100.571 -16.547 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 99.963 -17.298 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 98.798 -16.209 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 99.929 -15.702 -9.618 1.00 0.00 H new ATOM 577 N LEU A 49 105.363 -12.574 -9.507 1.00 0.00 N ATOM 578 CA LEU A 49 106.496 -13.191 -10.172 1.00 0.00 C ATOM 579 C LEU A 49 107.766 -12.369 -9.979 1.00 0.00 C ATOM 580 O LEU A 49 108.863 -12.851 -10.258 1.00 0.00 O ATOM 581 CB LEU A 49 106.202 -13.352 -11.663 1.00 0.00 C ATOM 582 CG LEU A 49 105.347 -14.570 -12.022 1.00 0.00 C ATOM 583 CD1 LEU A 49 104.246 -14.182 -12.999 1.00 0.00 C ATOM 584 CD2 LEU A 49 106.214 -15.677 -12.602 1.00 0.00 C ATOM 0 H LEU A 49 104.984 -11.759 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 49 106.656 -14.172 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 49 105.697 -12.454 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 49 107.148 -13.419 -12.200 1.00 0.00 H new ATOM 0 HG LEU A 49 104.879 -14.943 -11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 49 103.649 -15.061 -13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 49 103.608 -13.424 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 104.692 -13.783 -13.910 1.00 0.00 H new ATOM 0 HD21 LEU A 49 105.590 -16.535 -12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.711 -15.316 -13.502 1.00 0.00 H new ATOM 0 HD23 LEU A 49 106.963 -15.974 -11.868 1.00 0.00 H new ATOM 596 N ARG A 50 107.630 -11.128 -9.503 1.00 0.00 N ATOM 597 CA ARG A 50 108.809 -10.290 -9.297 1.00 0.00 C ATOM 598 C ARG A 50 108.510 -9.055 -8.451 1.00 0.00 C ATOM 599 O ARG A 50 108.396 -7.946 -8.970 1.00 0.00 O ATOM 600 CB ARG A 50 109.399 -9.873 -10.649 1.00 0.00 C ATOM 601 CG ARG A 50 110.866 -10.243 -10.814 1.00 0.00 C ATOM 602 CD ARG A 50 111.723 -9.029 -11.150 1.00 0.00 C ATOM 603 NE ARG A 50 112.466 -9.211 -12.396 1.00 0.00 N ATOM 604 CZ ARG A 50 113.539 -8.495 -12.731 1.00 0.00 C ATOM 605 NH1 ARG A 50 113.997 -7.551 -11.919 1.00 0.00 N ATOM 606 NH2 ARG A 50 114.153 -8.723 -13.885 1.00 0.00 N ATOM 0 H ARG A 50 106.740 -10.693 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 50 109.536 -10.887 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 50 108.823 -10.341 -11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 50 109.289 -8.795 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 50 111.230 -10.702 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 50 110.966 -10.988 -11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 50 111.087 -8.148 -11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 50 112.422 -8.842 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 50 112.144 -9.928 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.527 -7.369 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 50 114.819 -7.007 -12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.804 -9.446 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 50 114.974 -8.176 -14.143 1.00 0.00 H new ATOM 620 N ASP A 51 108.414 -9.257 -7.140 1.00 0.00 N ATOM 621 CA ASP A 51 108.162 -8.166 -6.206 1.00 0.00 C ATOM 622 C ASP A 51 107.989 -8.697 -4.789 1.00 0.00 C ATOM 623 O ASP A 51 108.581 -8.178 -3.848 1.00 0.00 O ATOM 624 CB ASP A 51 106.929 -7.362 -6.619 1.00 0.00 C ATOM 625 CG ASP A 51 107.290 -6.081 -7.354 1.00 0.00 C ATOM 626 OD1 ASP A 51 108.493 -5.753 -7.419 1.00 0.00 O ATOM 627 OD2 ASP A 51 106.372 -5.407 -7.864 1.00 0.00 O ATOM 0 H ASP A 51 108.508 -10.172 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 51 109.028 -7.504 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 51 106.295 -7.977 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.345 -7.116 -5.732 1.00 0.00 H new ATOM 632 N LEU A 52 107.181 -9.741 -4.642 1.00 0.00 N ATOM 633 CA LEU A 52 106.944 -10.337 -3.329 1.00 0.00 C ATOM 634 C LEU A 52 108.262 -10.561 -2.592 1.00 0.00 C ATOM 635 O LEU A 52 108.316 -10.516 -1.365 1.00 0.00 O ATOM 636 CB LEU A 52 106.187 -11.658 -3.470 1.00 0.00 C ATOM 637 CG LEU A 52 106.954 -12.771 -4.185 1.00 0.00 C ATOM 638 CD1 LEU A 52 107.633 -13.685 -3.175 1.00 0.00 C ATOM 639 CD2 LEU A 52 106.020 -13.568 -5.083 1.00 0.00 C ATOM 0 H LEU A 52 106.681 -10.191 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 52 106.335 -9.645 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 52 105.911 -12.009 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 52 105.259 -11.472 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 52 107.724 -12.315 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 52 108.174 -14.471 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 52 108.332 -13.105 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 52 106.880 -14.134 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 52 106.582 -14.356 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 52 105.229 -14.014 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 105.579 -12.906 -5.829 1.00 0.00 H new ATOM 651 N TYR A 53 109.320 -10.791 -3.362 1.00 0.00 N ATOM 652 CA TYR A 53 110.655 -11.020 -2.809 1.00 0.00 C ATOM 653 C TYR A 53 111.514 -9.767 -2.929 1.00 0.00 C ATOM 654 O TYR A 53 112.087 -9.296 -1.947 1.00 0.00 O ATOM 655 CB TYR A 53 111.331 -12.167 -3.558 1.00 0.00 C ATOM 656 CG TYR A 53 112.235 -13.000 -2.681 1.00 0.00 C ATOM 657 CD1 TYR A 53 111.706 -13.895 -1.758 1.00 0.00 C ATOM 658 CD2 TYR A 53 113.615 -12.879 -2.760 1.00 0.00 C ATOM 659 CE1 TYR A 53 112.530 -14.646 -0.942 1.00 0.00 C ATOM 660 CE2 TYR A 53 114.446 -13.625 -1.946 1.00 0.00 C ATOM 661 CZ TYR A 53 113.899 -14.508 -1.039 1.00 0.00 C ATOM 662 OH TYR A 53 114.723 -15.255 -0.227 1.00 0.00 O ATOM 0 H TYR A 53 109.280 -10.824 -4.381 1.00 0.00 H new ATOM 0 HA TYR A 53 110.551 -11.274 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 53 110.565 -12.809 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 53 111.913 -11.759 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 53 110.635 -14.005 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 53 114.047 -12.190 -3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 53 112.104 -15.338 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 53 115.518 -13.517 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 53 115.659 -15.039 -0.423 1.00 0.00 H new ATOM 672 N SER A 54 111.608 -9.244 -4.146 1.00 0.00 N ATOM 673 CA SER A 54 112.415 -8.053 -4.419 1.00 0.00 C ATOM 674 C SER A 54 111.715 -6.755 -4.002 1.00 0.00 C ATOM 675 O SER A 54 112.099 -5.671 -4.441 1.00 0.00 O ATOM 676 CB SER A 54 112.777 -7.994 -5.904 1.00 0.00 C ATOM 677 OG SER A 54 114.028 -7.358 -6.102 1.00 0.00 O ATOM 0 H SER A 54 111.134 -9.625 -4.965 1.00 0.00 H new ATOM 0 HA SER A 54 113.320 -8.138 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.811 -9.004 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.002 -7.455 -6.449 1.00 0.00 H new ATOM 0 HG SER A 54 114.235 -7.335 -7.060 1.00 0.00 H new ATOM 683 N LYS A 55 110.708 -6.866 -3.144 1.00 0.00 N ATOM 684 CA LYS A 55 109.979 -5.694 -2.657 1.00 0.00 C ATOM 685 C LYS A 55 109.845 -5.738 -1.138 1.00 0.00 C ATOM 686 O LYS A 55 109.813 -4.700 -0.479 1.00 0.00 O ATOM 687 CB LYS A 55 108.591 -5.605 -3.295 1.00 0.00 C ATOM 688 CG LYS A 55 107.864 -4.303 -2.995 1.00 0.00 C ATOM 689 CD LYS A 55 106.635 -4.538 -2.130 1.00 0.00 C ATOM 690 CE LYS A 55 105.846 -3.257 -1.910 1.00 0.00 C ATOM 691 NZ LYS A 55 105.634 -2.979 -0.463 1.00 0.00 N ATOM 0 H LYS A 55 110.375 -7.754 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 55 110.549 -4.809 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 55 108.689 -5.716 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 55 107.984 -6.439 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 55 108.541 -3.615 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 55 107.567 -3.827 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 105.995 -5.283 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 55 106.941 -4.946 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 55 106.376 -2.421 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 55 104.881 -3.334 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 105.092 -2.098 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 105.106 -3.765 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 106.555 -2.880 0.010 1.00 0.00 H new ATOM 705 N SER A 56 109.767 -6.945 -0.587 1.00 0.00 N ATOM 706 CA SER A 56 109.637 -7.119 0.855 1.00 0.00 C ATOM 707 C SER A 56 110.975 -7.485 1.492 1.00 0.00 C ATOM 708 O SER A 56 111.160 -7.319 2.697 1.00 0.00 O ATOM 709 CB SER A 56 108.603 -8.202 1.165 1.00 0.00 C ATOM 710 OG SER A 56 109.062 -9.480 0.756 1.00 0.00 O ATOM 0 H SER A 56 109.792 -7.816 -1.117 1.00 0.00 H new ATOM 0 HA SER A 56 109.306 -6.170 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 56 108.393 -8.213 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 107.666 -7.970 0.659 1.00 0.00 H new ATOM 0 HG SER A 56 108.427 -9.867 0.118 1.00 0.00 H new ATOM 716 N THR A 57 111.905 -7.986 0.683 1.00 0.00 N ATOM 717 CA THR A 57 113.220 -8.372 1.185 1.00 0.00 C ATOM 718 C THR A 57 114.308 -7.437 0.660 1.00 0.00 C ATOM 719 O THR A 57 115.415 -7.399 1.196 1.00 0.00 O ATOM 720 CB THR A 57 113.542 -9.816 0.802 1.00 0.00 C ATOM 721 OG1 THR A 57 113.981 -9.897 -0.542 1.00 0.00 O ATOM 722 CG2 THR A 57 112.362 -10.751 0.959 1.00 0.00 C ATOM 0 H THR A 57 111.773 -8.133 -0.318 1.00 0.00 H new ATOM 0 HA THR A 57 113.195 -8.293 2.272 1.00 0.00 H new ATOM 0 HB THR A 57 114.328 -10.128 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 57 113.205 -9.884 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 57 112.657 -11.760 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 57 112.034 -10.751 1.998 1.00 0.00 H new ATOM 0 HG23 THR A 57 111.545 -10.416 0.321 1.00 0.00 H new ATOM 730 N ALA A 58 113.991 -6.682 -0.386 1.00 0.00 N ATOM 731 CA ALA A 58 114.949 -5.747 -0.963 1.00 0.00 C ATOM 732 C ALA A 58 114.505 -4.314 -0.726 1.00 0.00 C ATOM 733 O ALA A 58 115.315 -3.444 -0.407 1.00 0.00 O ATOM 734 CB ALA A 58 115.128 -6.013 -2.450 1.00 0.00 C ATOM 0 H ALA A 58 113.083 -6.699 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 58 115.910 -5.894 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 58 115.847 -5.305 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.495 -7.029 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 58 114.171 -5.896 -2.958 1.00 0.00 H new ATOM 740 N ALA A 59 113.210 -4.075 -0.868 1.00 0.00 N ATOM 741 CA ALA A 59 112.662 -2.747 -0.648 1.00 0.00 C ATOM 742 C ALA A 59 112.288 -2.555 0.818 1.00 0.00 C ATOM 743 O ALA A 59 111.691 -1.542 1.184 1.00 0.00 O ATOM 744 CB ALA A 59 111.455 -2.515 -1.544 1.00 0.00 C ATOM 0 H ALA A 59 112.523 -4.780 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 59 113.426 -2.013 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 59 111.057 -1.516 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 59 111.754 -2.606 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.688 -3.256 -1.320 1.00 0.00 H new ATOM 750 N MET A 60 112.635 -3.533 1.658 1.00 0.00 N ATOM 751 CA MET A 60 112.320 -3.449 3.082 1.00 0.00 C ATOM 752 C MET A 60 113.367 -4.148 3.953 1.00 0.00 C ATOM 753 O MET A 60 113.581 -3.752 5.098 1.00 0.00 O ATOM 754 CB MET A 60 110.937 -4.046 3.348 1.00 0.00 C ATOM 755 CG MET A 60 109.833 -3.396 2.531 1.00 0.00 C ATOM 756 SD MET A 60 108.185 -3.858 3.096 1.00 0.00 S ATOM 757 CE MET A 60 107.629 -2.315 3.818 1.00 0.00 C ATOM 0 H MET A 60 113.128 -4.381 1.380 1.00 0.00 H new ATOM 0 HA MET A 60 112.325 -2.393 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 60 110.962 -5.113 3.128 1.00 0.00 H new ATOM 0 HB3 MET A 60 110.703 -3.944 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 60 109.939 -2.312 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 60 109.946 -3.679 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 60 106.621 -2.440 4.213 1.00 0.00 H new ATOM 0 HE2 MET A 60 108.302 -2.028 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 60 107.626 -1.537 3.055 1.00 0.00 H new ATOM 767 N SER A 61 114.014 -5.185 3.423 1.00 0.00 N ATOM 768 CA SER A 61 115.023 -5.911 4.191 1.00 0.00 C ATOM 769 C SER A 61 116.434 -5.594 3.703 1.00 0.00 C ATOM 770 O SER A 61 117.373 -6.343 3.972 1.00 0.00 O ATOM 771 CB SER A 61 114.773 -7.419 4.112 1.00 0.00 C ATOM 772 OG SER A 61 115.130 -8.061 5.326 1.00 0.00 O ATOM 0 H SER A 61 113.860 -5.537 2.478 1.00 0.00 H new ATOM 0 HA SER A 61 114.941 -5.586 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 61 113.721 -7.605 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.349 -7.844 3.290 1.00 0.00 H new ATOM 0 HG SER A 61 114.959 -9.023 5.250 1.00 0.00 H new ATOM 778 N THR A 62 116.584 -4.483 2.989 1.00 0.00 N ATOM 779 CA THR A 62 117.892 -4.084 2.476 1.00 0.00 C ATOM 780 C THR A 62 118.140 -2.589 2.676 1.00 0.00 C ATOM 781 O THR A 62 119.272 -2.175 2.919 1.00 0.00 O ATOM 782 CB THR A 62 118.020 -4.445 0.995 1.00 0.00 C ATOM 783 OG1 THR A 62 117.960 -5.849 0.816 1.00 0.00 O ATOM 784 CG2 THR A 62 119.309 -3.959 0.365 1.00 0.00 C ATOM 0 H THR A 62 115.823 -3.846 2.753 1.00 0.00 H new ATOM 0 HA THR A 62 118.648 -4.629 3.041 1.00 0.00 H new ATOM 0 HB THR A 62 117.185 -3.945 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 62 118.010 -6.059 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 62 119.333 -4.250 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 62 119.365 -2.873 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 62 120.158 -4.404 0.884 1.00 0.00 H new ATOM 792 N TYR A 63 117.087 -1.780 2.579 1.00 0.00 N ATOM 793 CA TYR A 63 117.217 -0.346 2.754 1.00 0.00 C ATOM 794 C TYR A 63 117.556 -0.018 4.197 1.00 0.00 C ATOM 795 O TYR A 63 118.283 0.936 4.477 1.00 0.00 O ATOM 796 CB TYR A 63 115.916 0.328 2.361 1.00 0.00 C ATOM 797 CG TYR A 63 116.085 1.449 1.360 1.00 0.00 C ATOM 798 CD1 TYR A 63 116.804 2.593 1.685 1.00 0.00 C ATOM 799 CD2 TYR A 63 115.530 1.362 0.089 1.00 0.00 C ATOM 800 CE1 TYR A 63 116.964 3.618 0.772 1.00 0.00 C ATOM 801 CE2 TYR A 63 115.685 2.382 -0.830 1.00 0.00 C ATOM 802 CZ TYR A 63 116.404 3.508 -0.483 1.00 0.00 C ATOM 803 OH TYR A 63 116.561 4.527 -1.396 1.00 0.00 O ATOM 0 H TYR A 63 116.138 -2.098 2.380 1.00 0.00 H new ATOM 0 HA TYR A 63 118.023 0.020 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 63 115.242 -0.420 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.438 0.723 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.245 2.682 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 63 114.968 0.482 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.525 4.501 1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.246 2.299 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 63 116.106 4.291 -2.231 1.00 0.00 H new ATOM 813 N THR A 64 117.034 -0.830 5.111 1.00 0.00 N ATOM 814 CA THR A 64 117.295 -0.641 6.531 1.00 0.00 C ATOM 815 C THR A 64 118.797 -0.630 6.781 1.00 0.00 C ATOM 816 O THR A 64 119.277 -0.070 7.768 1.00 0.00 O ATOM 817 CB THR A 64 116.626 -1.748 7.350 1.00 0.00 C ATOM 818 OG1 THR A 64 117.171 -3.013 7.020 1.00 0.00 O ATOM 819 CG2 THR A 64 115.129 -1.823 7.140 1.00 0.00 C ATOM 0 H THR A 64 116.430 -1.622 4.893 1.00 0.00 H new ATOM 0 HA THR A 64 116.876 0.316 6.843 1.00 0.00 H new ATOM 0 HB THR A 64 116.818 -1.495 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 64 116.733 -3.708 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 64 114.716 -2.628 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 64 114.673 -0.877 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 64 114.918 -2.019 6.089 1.00 0.00 H new ATOM 827 N GLY A 65 119.529 -1.240 5.859 1.00 0.00 N ATOM 828 CA GLY A 65 120.969 -1.287 5.956 1.00 0.00 C ATOM 829 C GLY A 65 121.622 -0.149 5.197 1.00 0.00 C ATOM 830 O GLY A 65 122.744 0.249 5.509 1.00 0.00 O ATOM 0 H GLY A 65 119.143 -1.707 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 65 121.264 -1.241 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 65 121.329 -2.239 5.565 1.00 0.00 H new ATOM 834 N ILE A 66 120.914 0.388 4.200 1.00 0.00 N ATOM 835 CA ILE A 66 121.438 1.494 3.410 1.00 0.00 C ATOM 836 C ILE A 66 121.089 2.833 4.048 1.00 0.00 C ATOM 837 O ILE A 66 121.661 3.868 3.708 1.00 0.00 O ATOM 838 CB ILE A 66 120.901 1.462 1.963 1.00 0.00 C ATOM 839 CG1 ILE A 66 121.028 0.053 1.381 1.00 0.00 C ATOM 840 CG2 ILE A 66 121.645 2.463 1.091 1.00 0.00 C ATOM 841 CD1 ILE A 66 122.459 -0.429 1.273 1.00 0.00 C ATOM 0 H ILE A 66 119.983 0.074 3.926 1.00 0.00 H new ATOM 0 HA ILE A 66 122.522 1.380 3.383 1.00 0.00 H new ATOM 0 HB ILE A 66 119.847 1.740 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 66 120.465 -0.641 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 66 120.571 0.035 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 66 121.251 2.424 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 66 121.511 3.467 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 66 122.707 2.216 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 66 122.473 -1.435 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 66 123.021 0.243 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.914 -0.443 2.263 1.00 0.00 H new ATOM 853 N PHE A 67 120.150 2.801 4.986 1.00 0.00 N ATOM 854 CA PHE A 67 119.720 3.998 5.684 1.00 0.00 C ATOM 855 C PHE A 67 120.891 4.652 6.407 1.00 0.00 C ATOM 856 O PHE A 67 121.133 5.850 6.267 1.00 0.00 O ATOM 857 CB PHE A 67 118.620 3.628 6.671 1.00 0.00 C ATOM 858 CG PHE A 67 117.459 4.578 6.661 1.00 0.00 C ATOM 859 CD1 PHE A 67 117.620 5.894 7.067 1.00 0.00 C ATOM 860 CD2 PHE A 67 116.208 4.159 6.241 1.00 0.00 C ATOM 861 CE1 PHE A 67 116.555 6.772 7.053 1.00 0.00 C ATOM 862 CE2 PHE A 67 115.138 5.032 6.226 1.00 0.00 C ATOM 863 CZ PHE A 67 115.312 6.342 6.633 1.00 0.00 C ATOM 0 H PHE A 67 119.671 1.950 5.280 1.00 0.00 H new ATOM 0 HA PHE A 67 119.334 4.717 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 67 118.260 2.625 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 67 119.042 3.593 7.676 1.00 0.00 H new ATOM 0 HD1 PHE A 67 118.590 6.236 7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 67 116.067 3.137 5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 67 116.694 7.795 7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 67 114.167 4.692 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 67 114.477 7.027 6.622 1.00 0.00 H new ATOM 873 N THR A 68 121.619 3.850 7.171 1.00 0.00 N ATOM 874 CA THR A 68 122.777 4.337 7.914 1.00 0.00 C ATOM 875 C THR A 68 123.866 4.824 6.964 1.00 0.00 C ATOM 876 O THR A 68 124.704 5.645 7.332 1.00 0.00 O ATOM 877 CB THR A 68 123.334 3.232 8.817 1.00 0.00 C ATOM 878 OG1 THR A 68 122.449 2.126 8.868 1.00 0.00 O ATOM 879 CG2 THR A 68 123.582 3.688 10.239 1.00 0.00 C ATOM 0 H THR A 68 121.429 2.855 7.294 1.00 0.00 H new ATOM 0 HA THR A 68 122.453 5.175 8.532 1.00 0.00 H new ATOM 0 HB THR A 68 124.288 2.952 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 68 122.826 1.432 9.449 1.00 0.00 H new ATOM 0 HG21 THR A 68 123.976 2.857 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 68 124.303 4.505 10.238 1.00 0.00 H new ATOM 0 HG23 THR A 68 122.646 4.031 10.680 1.00 0.00 H new ATOM 887 N ASP A 69 123.852 4.303 5.739 1.00 0.00 N ATOM 888 CA ASP A 69 124.841 4.680 4.734 1.00 0.00 C ATOM 889 C ASP A 69 124.848 6.188 4.503 1.00 0.00 C ATOM 890 O ASP A 69 125.846 6.751 4.054 1.00 0.00 O ATOM 891 CB ASP A 69 124.559 3.955 3.416 1.00 0.00 C ATOM 892 CG ASP A 69 125.816 3.736 2.596 1.00 0.00 C ATOM 893 OD1 ASP A 69 126.539 2.755 2.867 1.00 0.00 O ATOM 894 OD2 ASP A 69 126.076 4.546 1.681 1.00 0.00 O ATOM 0 H ASP A 69 123.166 3.619 5.419 1.00 0.00 H new ATOM 0 HA ASP A 69 125.823 4.386 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 69 124.094 2.992 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 69 123.844 4.534 2.832 1.00 0.00 H new ATOM 899 N GLN A 70 123.732 6.836 4.816 1.00 0.00 N ATOM 900 CA GLN A 70 123.612 8.279 4.646 1.00 0.00 C ATOM 901 C GLN A 70 123.574 8.982 6.002 1.00 0.00 C ATOM 902 O GLN A 70 123.075 10.100 6.116 1.00 0.00 O ATOM 903 CB GLN A 70 122.356 8.615 3.836 1.00 0.00 C ATOM 904 CG GLN A 70 122.655 9.241 2.483 1.00 0.00 C ATOM 905 CD GLN A 70 121.544 9.015 1.475 1.00 0.00 C ATOM 906 OE1 GLN A 70 120.733 9.905 1.220 1.00 0.00 O ATOM 907 NE2 GLN A 70 121.500 7.820 0.899 1.00 0.00 N ATOM 0 H GLN A 70 122.897 6.385 5.189 1.00 0.00 H new ATOM 0 HA GLN A 70 124.486 8.635 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 70 121.776 7.704 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.733 9.298 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.813 10.312 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 70 123.584 8.826 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 70 122.193 7.112 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.773 7.610 0.215 1.00 0.00 H new ATOM 916 N VAL A 71 124.098 8.313 7.027 1.00 0.00 N ATOM 917 CA VAL A 71 124.125 8.864 8.378 1.00 0.00 C ATOM 918 C VAL A 71 125.557 9.077 8.850 1.00 0.00 C ATOM 919 O VAL A 71 125.938 10.183 9.228 1.00 0.00 O ATOM 920 CB VAL A 71 123.397 7.922 9.354 1.00 0.00 C ATOM 921 CG1 VAL A 71 123.457 8.450 10.781 1.00 0.00 C ATOM 922 CG2 VAL A 71 121.955 7.709 8.916 1.00 0.00 C ATOM 0 H VAL A 71 124.511 7.384 6.946 1.00 0.00 H new ATOM 0 HA VAL A 71 123.616 9.828 8.357 1.00 0.00 H new ATOM 0 HB VAL A 71 123.908 6.960 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 71 122.934 7.762 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 71 124.498 8.536 11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 71 122.982 9.430 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 71 121.457 7.040 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 71 121.436 8.667 8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 71 121.939 7.267 7.920 1.00 0.00 H new ATOM 932 N LEU A 72 126.347 8.015 8.814 1.00 0.00 N ATOM 933 CA LEU A 72 127.743 8.091 9.231 1.00 0.00 C ATOM 934 C LEU A 72 128.572 8.763 8.148 1.00 0.00 C ATOM 935 O LEU A 72 129.514 9.500 8.439 1.00 0.00 O ATOM 936 CB LEU A 72 128.299 6.698 9.546 1.00 0.00 C ATOM 937 CG LEU A 72 127.245 5.621 9.803 1.00 0.00 C ATOM 938 CD1 LEU A 72 127.901 4.284 10.113 1.00 0.00 C ATOM 939 CD2 LEU A 72 126.322 6.044 10.937 1.00 0.00 C ATOM 0 H LEU A 72 126.048 7.091 8.501 1.00 0.00 H new ATOM 0 HA LEU A 72 127.799 8.687 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 72 128.927 6.378 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 128.943 6.771 10.423 1.00 0.00 H new ATOM 0 HG LEU A 72 126.649 5.501 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 72 127.131 3.534 10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 128.517 3.977 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 72 128.525 4.382 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 72 125.577 5.267 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 72 126.906 6.193 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 72 125.821 6.975 10.671 1.00 0.00 H new ATOM 951 N SER A 73 128.192 8.527 6.896 1.00 0.00 N ATOM 952 CA SER A 73 128.883 9.128 5.757 1.00 0.00 C ATOM 953 C SER A 73 128.419 10.562 5.569 1.00 0.00 C ATOM 954 O SER A 73 129.026 11.341 4.834 1.00 0.00 O ATOM 955 CB SER A 73 128.622 8.315 4.488 1.00 0.00 C ATOM 956 OG SER A 73 128.226 9.144 3.407 1.00 0.00 O ATOM 0 H SER A 73 127.409 7.924 6.643 1.00 0.00 H new ATOM 0 HA SER A 73 129.955 9.126 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 73 129.524 7.767 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 73 127.846 7.575 4.683 1.00 0.00 H new ATOM 0 HG SER A 73 128.069 8.593 2.612 1.00 0.00 H new ATOM 962 N VAL A 74 127.336 10.896 6.250 1.00 0.00 N ATOM 963 CA VAL A 74 126.769 12.229 6.186 1.00 0.00 C ATOM 964 C VAL A 74 127.053 12.985 7.476 1.00 0.00 C ATOM 965 O VAL A 74 127.012 14.214 7.506 1.00 0.00 O ATOM 966 CB VAL A 74 125.248 12.167 5.937 1.00 0.00 C ATOM 967 CG1 VAL A 74 124.626 13.559 5.905 1.00 0.00 C ATOM 968 CG2 VAL A 74 124.958 11.428 4.640 1.00 0.00 C ATOM 0 H VAL A 74 126.829 10.254 6.859 1.00 0.00 H new ATOM 0 HA VAL A 74 127.235 12.757 5.353 1.00 0.00 H new ATOM 0 HB VAL A 74 124.797 11.623 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 74 123.554 13.474 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 74 124.798 14.056 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 74 125.081 14.143 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 74 123.881 11.391 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 125.434 11.950 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 74 125.350 10.413 4.704 1.00 0.00 H new ATOM 978 N LEU A 75 127.357 12.251 8.547 1.00 0.00 N ATOM 979 CA LEU A 75 127.652 12.894 9.825 1.00 0.00 C ATOM 980 C LEU A 75 129.159 12.993 10.048 1.00 0.00 C ATOM 981 O LEU A 75 129.661 14.026 10.489 1.00 0.00 O ATOM 982 CB LEU A 75 126.975 12.149 10.984 1.00 0.00 C ATOM 983 CG LEU A 75 127.697 10.897 11.483 1.00 0.00 C ATOM 984 CD1 LEU A 75 128.688 11.252 12.583 1.00 0.00 C ATOM 985 CD2 LEU A 75 126.693 9.871 11.989 1.00 0.00 C ATOM 0 H LEU A 75 127.405 11.232 8.556 1.00 0.00 H new ATOM 0 HA LEU A 75 127.247 13.906 9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 126.865 12.840 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 75 125.970 11.865 10.671 1.00 0.00 H new ATOM 0 HG LEU A 75 128.248 10.464 10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 129.192 10.348 12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 75 129.426 11.954 12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 75 128.157 11.709 13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 75 127.223 8.986 12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 126.117 10.299 12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 75 126.018 9.592 11.180 1.00 0.00 H new ATOM 997 N LYS A 76 129.874 11.915 9.745 1.00 0.00 N ATOM 998 CA LYS A 76 131.314 11.883 9.917 1.00 0.00 C ATOM 999 C LYS A 76 132.012 11.488 8.619 1.00 0.00 C ATOM 1000 O LYS A 76 133.240 11.448 8.552 1.00 0.00 O ATOM 1001 CB LYS A 76 131.646 10.884 11.011 1.00 0.00 C ATOM 1002 CG LYS A 76 132.033 11.531 12.333 1.00 0.00 C ATOM 1003 CD LYS A 76 133.305 10.924 12.909 1.00 0.00 C ATOM 1004 CE LYS A 76 134.474 11.896 12.836 1.00 0.00 C ATOM 1005 NZ LYS A 76 135.425 11.538 11.747 1.00 0.00 N ATOM 0 H LYS A 76 129.474 11.051 9.378 1.00 0.00 H new ATOM 0 HA LYS A 76 131.666 12.877 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 76 130.785 10.236 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 76 132.465 10.248 10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 76 132.176 12.602 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 131.218 11.413 13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 133.134 10.637 13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 76 133.554 10.014 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 134.097 12.906 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 76 135.001 11.903 13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 136.207 12.223 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 135.804 10.585 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 134.929 11.556 10.833 1.00 0.00 H new ATOM 1019 N GLY A 77 131.221 11.179 7.596 1.00 0.00 N ATOM 1020 CA GLY A 77 131.782 10.772 6.325 1.00 0.00 C ATOM 1021 C GLY A 77 132.480 9.436 6.428 1.00 0.00 C ATOM 1022 O GLY A 77 133.569 9.253 5.884 1.00 0.00 O ATOM 0 H GLY A 77 130.202 11.204 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 77 130.989 10.713 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 132.489 11.527 5.980 1.00 0.00 H new ATOM 1026 N GLU A 78 131.858 8.498 7.139 1.00 0.00 N ATOM 1027 CA GLU A 78 132.455 7.172 7.319 1.00 0.00 C ATOM 1028 C GLU A 78 131.480 6.033 7.009 1.00 0.00 C ATOM 1029 O GLU A 78 131.886 4.871 6.961 1.00 0.00 O ATOM 1030 CB GLU A 78 132.976 7.018 8.747 1.00 0.00 C ATOM 1031 CG GLU A 78 134.315 7.699 8.984 1.00 0.00 C ATOM 1032 CD GLU A 78 135.491 6.826 8.592 1.00 0.00 C ATOM 1033 OE1 GLU A 78 135.470 6.266 7.476 1.00 0.00 O ATOM 1034 OE2 GLU A 78 136.436 6.704 9.400 1.00 0.00 O ATOM 0 H GLU A 78 130.954 8.626 7.595 1.00 0.00 H new ATOM 0 HA GLU A 78 133.277 7.102 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 78 132.241 7.429 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 78 133.072 5.957 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 134.352 8.628 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 78 134.401 7.966 10.037 1.00 0.00 H new ATOM 1041 N GLU A 79 130.202 6.361 6.815 1.00 0.00 N ATOM 1042 CA GLU A 79 129.172 5.353 6.526 1.00 0.00 C ATOM 1043 C GLU A 79 129.419 4.060 7.302 1.00 0.00 C ATOM 1044 O GLU A 79 129.029 2.984 6.801 1.00 0.00 O ATOM 1045 CB GLU A 79 129.090 5.052 5.022 1.00 0.00 C ATOM 1046 CG GLU A 79 130.335 4.403 4.439 1.00 0.00 C ATOM 1047 CD GLU A 79 130.526 4.732 2.972 1.00 0.00 C ATOM 1048 OE1 GLU A 79 130.003 3.980 2.122 1.00 0.00 O ATOM 1049 OE2 GLU A 79 131.198 5.742 2.673 1.00 0.00 O ATOM 0 H GLU A 79 129.851 7.318 6.852 1.00 0.00 H new ATOM 0 HA GLU A 79 128.219 5.773 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 79 128.237 4.398 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 79 128.897 5.983 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 131.210 4.733 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 79 130.268 3.322 4.560 1.00 0.00 H new