USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 41 THR OG1 : rot -160:sc= 0.714 USER MOD Set 1.2: A 48 GLN : amide:sc= 0.218 K(o=-0.065,f=-1.2) USER MOD Set 1.3: A 79 MET CE :methyl 180:sc= -0.997 (180deg=-0.997) USER MOD Set 2.1: A 17 GLN : amide:sc= 0 X(o=-0.23,f=-0.23) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.346 (180deg=-1.31) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.163 K(o=0.16,f=-4.4!) USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.253) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.86! C(o=-4.9!,f=-7.6!) USER MOD Single : A 75 THR OG1 : rot 147:sc= -1.23! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 165:sc= -0.0207 (180deg=-0.375) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0378 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.637 9.716 -3.348 1.00 0.00 N ATOM 67 CA LEU A 8 7.887 9.369 -2.153 1.00 0.00 C ATOM 68 C LEU A 8 7.888 7.849 -1.978 1.00 0.00 C ATOM 69 O LEU A 8 7.084 7.150 -2.594 1.00 0.00 O ATOM 70 CB LEU A 8 6.486 9.982 -2.202 1.00 0.00 C ATOM 71 CG LEU A 8 6.132 10.939 -1.062 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.446 12.387 -1.444 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.675 10.763 -0.630 1.00 0.00 C ATOM 0 HA LEU A 8 8.364 9.792 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.378 10.517 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.757 9.172 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 8 6.754 10.691 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.185 13.046 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.509 12.483 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.868 12.664 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.450 11.455 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.018 10.968 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.518 9.740 -0.288 1.00 0.00 H new ATOM 85 N PRO A 9 8.822 7.370 -1.114 1.00 0.00 N ATOM 86 CA PRO A 9 8.938 5.946 -0.851 1.00 0.00 C ATOM 87 C PRO A 9 7.803 5.461 0.053 1.00 0.00 C ATOM 88 O PRO A 9 7.402 6.162 0.982 1.00 0.00 O ATOM 89 CB PRO A 9 10.312 5.771 -0.225 1.00 0.00 C ATOM 90 CG PRO A 9 10.724 7.150 0.265 1.00 0.00 C ATOM 91 CD PRO A 9 9.790 8.168 -0.368 1.00 0.00 C ATOM 0 HA PRO A 9 8.848 5.343 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.278 5.058 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.026 5.385 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.665 7.202 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.758 7.359 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.299 8.780 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.332 8.848 -1.025 1.00 0.00 H new ATOM 99 N ILE A 10 7.316 4.267 -0.250 1.00 0.00 N ATOM 100 CA ILE A 10 6.236 3.680 0.524 1.00 0.00 C ATOM 101 C ILE A 10 6.597 2.239 0.886 1.00 0.00 C ATOM 102 O ILE A 10 6.698 1.381 0.010 1.00 0.00 O ATOM 103 CB ILE A 10 4.908 3.812 -0.224 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.491 5.279 -0.348 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.820 2.961 0.434 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.428 5.457 -1.434 1.00 0.00 C ATOM 0 H ILE A 10 7.650 3.690 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 10 6.103 4.220 1.461 1.00 0.00 H new ATOM 0 HB ILE A 10 5.048 3.430 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.103 5.632 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.362 5.890 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.887 3.073 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.122 1.914 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.675 3.289 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.149 6.509 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.828 5.125 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.549 4.864 -1.183 1.00 0.00 H new ATOM 118 N ILE A 11 6.783 2.015 2.179 1.00 0.00 N ATOM 119 CA ILE A 11 7.131 0.692 2.668 1.00 0.00 C ATOM 120 C ILE A 11 5.850 -0.087 2.973 1.00 0.00 C ATOM 121 O ILE A 11 4.888 0.473 3.495 1.00 0.00 O ATOM 122 CB ILE A 11 8.086 0.795 3.859 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.447 1.343 3.424 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.213 -0.550 4.577 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.346 1.602 4.635 1.00 0.00 C ATOM 0 H ILE A 11 6.699 2.728 2.903 1.00 0.00 H new ATOM 0 HA ILE A 11 7.671 0.133 1.904 1.00 0.00 H new ATOM 0 HB ILE A 11 7.667 1.503 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.931 0.634 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.309 2.268 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.897 -0.450 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.234 -0.862 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.598 -1.298 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.307 1.991 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.870 2.330 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.502 0.670 5.178 1.00 0.00 H new ATOM 137 N VAL A 12 5.880 -1.368 2.633 1.00 0.00 N ATOM 138 CA VAL A 12 4.733 -2.230 2.864 1.00 0.00 C ATOM 139 C VAL A 12 5.184 -3.477 3.627 1.00 0.00 C ATOM 140 O VAL A 12 6.279 -3.988 3.396 1.00 0.00 O ATOM 141 CB VAL A 12 4.048 -2.557 1.535 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.636 -3.098 1.765 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.024 -1.334 0.616 1.00 0.00 C ATOM 0 H VAL A 12 6.680 -1.829 2.200 1.00 0.00 H new ATOM 0 HA VAL A 12 3.991 -1.722 3.480 1.00 0.00 H new ATOM 0 HB VAL A 12 4.629 -3.336 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.171 -3.322 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.688 -4.007 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.041 -2.351 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.532 -1.593 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.478 -0.525 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.045 -1.011 0.413 1.00 0.00 H new ATOM 153 N LYS A 13 4.317 -3.932 4.520 1.00 0.00 N ATOM 154 CA LYS A 13 4.612 -5.109 5.318 1.00 0.00 C ATOM 155 C LYS A 13 3.538 -6.170 5.070 1.00 0.00 C ATOM 156 O LYS A 13 2.346 -5.867 5.084 1.00 0.00 O ATOM 157 CB LYS A 13 4.774 -4.731 6.791 1.00 0.00 C ATOM 158 CG LYS A 13 6.098 -4.002 7.028 1.00 0.00 C ATOM 159 CD LYS A 13 6.479 -4.023 8.509 1.00 0.00 C ATOM 160 CE LYS A 13 6.912 -5.425 8.944 1.00 0.00 C ATOM 161 NZ LYS A 13 8.100 -5.351 9.823 1.00 0.00 N ATOM 0 H LYS A 13 3.410 -3.506 4.708 1.00 0.00 H new ATOM 0 HA LYS A 13 5.566 -5.543 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.944 -4.095 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.734 -5.629 7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.886 -4.472 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.016 -2.971 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.289 -3.316 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.631 -3.697 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.094 -5.918 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.139 -6.031 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.381 -6.311 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.884 -4.900 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.872 -4.791 10.669 1.00 0.00 H new ATOM 175 N TRP A 14 3.999 -7.392 4.848 1.00 0.00 N ATOM 176 CA TRP A 14 3.092 -8.500 4.597 1.00 0.00 C ATOM 177 C TRP A 14 3.584 -9.705 5.401 1.00 0.00 C ATOM 178 O TRP A 14 4.603 -10.307 5.063 1.00 0.00 O ATOM 179 CB TRP A 14 2.978 -8.787 3.099 1.00 0.00 C ATOM 180 CG TRP A 14 1.972 -9.885 2.750 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.844 -10.207 3.398 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.048 -10.800 1.636 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.190 -11.257 2.786 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.946 -11.629 1.681 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.017 -10.922 0.624 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.709 -12.639 0.741 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.765 -11.936 -0.307 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.660 -12.779 -0.276 1.00 0.00 C ATOM 0 H TRP A 14 4.988 -7.640 4.837 1.00 0.00 H new ATOM 0 HA TRP A 14 2.082 -8.253 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.692 -7.870 2.585 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.959 -9.073 2.719 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.491 -9.707 4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.687 -11.682 3.089 1.00 0.00 H new ATOM 0 HE3 TRP A 14 3.887 -10.284 0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.161 -13.276 0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.479 -12.073 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.536 -13.539 -1.034 1.00 0.00 H new ATOM 199 N GLY A 15 2.838 -10.022 6.449 1.00 0.00 N ATOM 200 CA GLY A 15 3.186 -11.145 7.303 1.00 0.00 C ATOM 201 C GLY A 15 4.581 -10.964 7.905 1.00 0.00 C ATOM 202 O GLY A 15 4.717 -10.519 9.043 1.00 0.00 O ATOM 0 H GLY A 15 1.994 -9.521 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.451 -11.240 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.152 -12.069 6.726 1.00 0.00 H new ATOM 206 N GLY A 16 5.583 -11.319 7.113 1.00 0.00 N ATOM 207 CA GLY A 16 6.962 -11.202 7.553 1.00 0.00 C ATOM 208 C GLY A 16 7.867 -10.748 6.406 1.00 0.00 C ATOM 209 O GLY A 16 9.064 -11.034 6.404 1.00 0.00 O ATOM 0 H GLY A 16 5.466 -11.688 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.026 -10.489 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.308 -12.162 7.936 1.00 0.00 H new ATOM 213 N GLN A 17 7.261 -10.048 5.458 1.00 0.00 N ATOM 214 CA GLN A 17 7.997 -9.552 4.308 1.00 0.00 C ATOM 215 C GLN A 17 7.782 -8.045 4.150 1.00 0.00 C ATOM 216 O GLN A 17 6.666 -7.554 4.312 1.00 0.00 O ATOM 217 CB GLN A 17 7.596 -10.300 3.036 1.00 0.00 C ATOM 218 CG GLN A 17 8.634 -11.364 2.674 1.00 0.00 C ATOM 219 CD GLN A 17 8.406 -11.894 1.257 1.00 0.00 C ATOM 220 OE1 GLN A 17 8.954 -11.400 0.286 1.00 0.00 O ATOM 221 NE2 GLN A 17 7.567 -12.924 1.193 1.00 0.00 N ATOM 0 H GLN A 17 6.269 -9.813 5.463 1.00 0.00 H new ATOM 0 HA GLN A 17 9.059 -9.732 4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.623 -10.770 3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.492 -9.594 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.636 -10.941 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.580 -12.187 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.142 -13.289 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.348 -13.348 0.292 1.00 0.00 H new ATOM 230 N GLU A 18 8.867 -7.354 3.834 1.00 0.00 N ATOM 231 CA GLU A 18 8.811 -5.914 3.652 1.00 0.00 C ATOM 232 C GLU A 18 9.052 -5.555 2.184 1.00 0.00 C ATOM 233 O GLU A 18 9.855 -6.196 1.509 1.00 0.00 O ATOM 234 CB GLU A 18 9.817 -5.206 4.562 1.00 0.00 C ATOM 235 CG GLU A 18 9.521 -5.495 6.035 1.00 0.00 C ATOM 236 CD GLU A 18 10.814 -5.573 6.849 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.379 -4.491 7.122 1.00 0.00 O ATOM 238 OE2 GLU A 18 11.209 -6.712 7.180 1.00 0.00 O ATOM 0 H GLU A 18 9.791 -7.765 3.699 1.00 0.00 H new ATOM 0 HA GLU A 18 7.815 -5.571 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.827 -5.535 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.780 -4.131 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.878 -4.714 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.975 -6.434 6.122 1.00 0.00 H new ATOM 245 N TYR A 19 8.342 -4.530 1.735 1.00 0.00 N ATOM 246 CA TYR A 19 8.469 -4.078 0.360 1.00 0.00 C ATOM 247 C TYR A 19 8.663 -2.562 0.297 1.00 0.00 C ATOM 248 O TYR A 19 8.036 -1.821 1.052 1.00 0.00 O ATOM 249 CB TYR A 19 7.151 -4.441 -0.327 1.00 0.00 C ATOM 250 CG TYR A 19 6.827 -5.936 -0.301 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.302 -6.508 0.840 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.060 -6.713 -1.417 1.00 0.00 C ATOM 253 CE1 TYR A 19 5.997 -7.915 0.865 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.755 -8.120 -1.392 1.00 0.00 C ATOM 255 CZ TYR A 19 6.238 -8.652 -0.252 1.00 0.00 C ATOM 256 OH TYR A 19 5.950 -9.981 -0.228 1.00 0.00 O ATOM 0 H TYR A 19 7.677 -4.000 2.299 1.00 0.00 H new ATOM 0 HA TYR A 19 9.331 -4.542 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.340 -3.895 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.189 -4.106 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.120 -5.900 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.471 -6.266 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.586 -8.375 1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.933 -8.739 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 19 6.173 -10.380 -1.095 1.00 0.00 H new ATOM 266 N SER A 20 9.533 -2.145 -0.611 1.00 0.00 N ATOM 267 CA SER A 20 9.816 -0.731 -0.783 1.00 0.00 C ATOM 268 C SER A 20 9.257 -0.243 -2.121 1.00 0.00 C ATOM 269 O SER A 20 9.653 -0.731 -3.178 1.00 0.00 O ATOM 270 CB SER A 20 11.320 -0.457 -0.705 1.00 0.00 C ATOM 271 OG SER A 20 11.827 -0.638 0.614 1.00 0.00 O ATOM 0 H SER A 20 10.051 -2.763 -1.236 1.00 0.00 H new ATOM 0 HA SER A 20 9.331 -0.185 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.846 -1.122 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.520 0.563 -1.034 1.00 0.00 H new ATOM 0 HG SER A 20 12.790 -0.456 0.622 1.00 0.00 H new ATOM 277 N VAL A 21 8.344 0.713 -2.031 1.00 0.00 N ATOM 278 CA VAL A 21 7.726 1.272 -3.222 1.00 0.00 C ATOM 279 C VAL A 21 8.332 2.648 -3.507 1.00 0.00 C ATOM 280 O VAL A 21 8.152 3.583 -2.728 1.00 0.00 O ATOM 281 CB VAL A 21 6.206 1.311 -3.053 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.532 1.907 -4.291 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.653 -0.081 -2.744 1.00 0.00 C ATOM 0 H VAL A 21 8.017 1.115 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 21 7.927 0.642 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 21 5.979 1.957 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.452 1.923 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.892 2.924 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.771 1.299 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.571 -0.025 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.896 -0.759 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.098 -0.452 -1.821 1.00 0.00 H new ATOM 293 N THR A 22 9.037 2.728 -4.626 1.00 0.00 N ATOM 294 CA THR A 22 9.670 3.974 -5.024 1.00 0.00 C ATOM 295 C THR A 22 9.605 4.143 -6.544 1.00 0.00 C ATOM 296 O THR A 22 10.531 4.678 -7.152 1.00 0.00 O ATOM 297 CB THR A 22 11.097 3.977 -4.473 1.00 0.00 C ATOM 298 OG1 THR A 22 11.673 2.783 -4.996 1.00 0.00 O ATOM 299 CG2 THR A 22 11.139 3.777 -2.956 1.00 0.00 C ATOM 0 H THR A 22 9.184 1.950 -5.269 1.00 0.00 H new ATOM 0 HA THR A 22 9.145 4.834 -4.610 1.00 0.00 H new ATOM 0 HB THR A 22 11.583 4.918 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.601 2.706 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.175 3.787 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.589 4.581 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.683 2.820 -2.702 1.00 0.00 H new ATOM 307 N THR A 23 8.503 3.677 -7.113 1.00 0.00 N ATOM 308 CA THR A 23 8.306 3.771 -8.549 1.00 0.00 C ATOM 309 C THR A 23 7.246 4.826 -8.875 1.00 0.00 C ATOM 310 O THR A 23 7.383 5.569 -9.845 1.00 0.00 O ATOM 311 CB THR A 23 7.953 2.376 -9.069 1.00 0.00 C ATOM 312 OG1 THR A 23 9.184 1.660 -9.004 1.00 0.00 O ATOM 313 CG2 THR A 23 7.602 2.377 -10.559 1.00 0.00 C ATOM 0 H THR A 23 7.738 3.233 -6.605 1.00 0.00 H new ATOM 0 HA THR A 23 9.215 4.102 -9.052 1.00 0.00 H new ATOM 0 HB THR A 23 7.114 1.978 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.046 0.743 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.360 1.363 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.743 3.026 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.453 2.743 -11.133 1.00 0.00 H new ATOM 321 N LEU A 24 6.214 4.857 -8.045 1.00 0.00 N ATOM 322 CA LEU A 24 5.132 5.809 -8.232 1.00 0.00 C ATOM 323 C LEU A 24 5.384 7.040 -7.358 1.00 0.00 C ATOM 324 O LEU A 24 6.182 6.989 -6.423 1.00 0.00 O ATOM 325 CB LEU A 24 3.780 5.140 -7.977 1.00 0.00 C ATOM 326 CG LEU A 24 3.728 4.158 -6.804 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.409 4.287 -6.040 1.00 0.00 C ATOM 328 CD2 LEU A 24 3.980 2.725 -7.278 1.00 0.00 C ATOM 0 H LEU A 24 6.104 4.238 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 24 5.102 6.153 -9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.038 5.920 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.483 4.610 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 24 4.528 4.412 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.397 3.579 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.311 5.301 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.577 4.074 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.938 2.047 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.218 2.443 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.964 2.663 -7.742 1.00 0.00 H new ATOM 340 N SER A 25 4.690 8.117 -7.694 1.00 0.00 N ATOM 341 CA SER A 25 4.828 9.358 -6.952 1.00 0.00 C ATOM 342 C SER A 25 3.451 9.865 -6.519 1.00 0.00 C ATOM 343 O SER A 25 2.434 9.241 -6.817 1.00 0.00 O ATOM 344 CB SER A 25 5.546 10.421 -7.786 1.00 0.00 C ATOM 345 OG SER A 25 6.954 10.409 -7.568 1.00 0.00 O ATOM 0 H SER A 25 4.030 8.156 -8.471 1.00 0.00 H new ATOM 0 HA SER A 25 5.431 9.161 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.341 10.252 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.149 11.405 -7.538 1.00 0.00 H new ATOM 0 HG SER A 25 7.376 11.100 -8.119 1.00 0.00 H new ATOM 351 N GLU A 26 3.463 10.991 -5.821 1.00 0.00 N ATOM 352 CA GLU A 26 2.228 11.589 -5.343 1.00 0.00 C ATOM 353 C GLU A 26 1.163 11.557 -6.442 1.00 0.00 C ATOM 354 O GLU A 26 0.014 11.201 -6.187 1.00 0.00 O ATOM 355 CB GLU A 26 2.465 13.018 -4.851 1.00 0.00 C ATOM 356 CG GLU A 26 3.394 13.032 -3.635 1.00 0.00 C ATOM 357 CD GLU A 26 3.763 14.465 -3.244 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.728 14.985 -3.844 1.00 0.00 O ATOM 359 OE2 GLU A 26 3.073 15.006 -2.354 1.00 0.00 O ATOM 0 H GLU A 26 4.309 11.505 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 26 1.867 11.004 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.900 13.615 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.512 13.480 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.907 12.536 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.299 12.467 -3.858 1.00 0.00 H new ATOM 366 N ASP A 27 1.584 11.934 -7.640 1.00 0.00 N ATOM 367 CA ASP A 27 0.681 11.953 -8.778 1.00 0.00 C ATOM 368 C ASP A 27 -0.174 10.684 -8.767 1.00 0.00 C ATOM 369 O ASP A 27 -1.397 10.756 -8.656 1.00 0.00 O ATOM 370 CB ASP A 27 1.456 11.988 -10.097 1.00 0.00 C ATOM 371 CG ASP A 27 1.931 13.376 -10.530 1.00 0.00 C ATOM 372 OD1 ASP A 27 1.995 14.257 -9.645 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.220 13.526 -11.737 1.00 0.00 O ATOM 0 H ASP A 27 2.538 12.229 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 27 0.061 12.846 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.324 11.334 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.824 11.575 -10.883 1.00 0.00 H new ATOM 378 N ASP A 28 0.503 9.551 -8.882 1.00 0.00 N ATOM 379 CA ASP A 28 -0.179 8.268 -8.887 1.00 0.00 C ATOM 380 C ASP A 28 -1.106 8.184 -7.673 1.00 0.00 C ATOM 381 O ASP A 28 -0.807 8.744 -6.619 1.00 0.00 O ATOM 382 CB ASP A 28 0.821 7.113 -8.799 1.00 0.00 C ATOM 383 CG ASP A 28 1.655 6.883 -10.060 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.121 7.895 -10.626 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.808 5.699 -10.431 1.00 0.00 O ATOM 0 H ASP A 28 1.517 9.495 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.742 8.188 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.496 7.300 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.276 6.197 -8.570 1.00 0.00 H new ATOM 390 N THR A 29 -2.212 7.481 -7.861 1.00 0.00 N ATOM 391 CA THR A 29 -3.185 7.316 -6.794 1.00 0.00 C ATOM 392 C THR A 29 -2.961 5.989 -6.068 1.00 0.00 C ATOM 393 O THR A 29 -2.051 5.235 -6.410 1.00 0.00 O ATOM 394 CB THR A 29 -4.582 7.447 -7.404 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.544 6.593 -8.545 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.839 8.838 -7.988 1.00 0.00 C ATOM 0 H THR A 29 -2.457 7.019 -8.737 1.00 0.00 H new ATOM 0 HA THR A 29 -3.073 8.089 -6.034 1.00 0.00 H new ATOM 0 HB THR A 29 -5.332 7.229 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.412 6.616 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.844 8.876 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.746 9.586 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.110 9.044 -8.772 1.00 0.00 H new ATOM 404 N VAL A 30 -3.807 5.742 -5.078 1.00 0.00 N ATOM 405 CA VAL A 30 -3.712 4.519 -4.300 1.00 0.00 C ATOM 406 C VAL A 30 -3.767 3.315 -5.243 1.00 0.00 C ATOM 407 O VAL A 30 -2.923 2.423 -5.166 1.00 0.00 O ATOM 408 CB VAL A 30 -4.808 4.492 -3.232 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.902 3.112 -2.578 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.577 5.581 -2.183 1.00 0.00 C ATOM 0 H VAL A 30 -4.561 6.369 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.760 4.475 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.760 4.696 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.688 3.120 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.135 2.365 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.950 2.867 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.369 5.540 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.613 5.422 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.583 6.558 -2.666 1.00 0.00 H new ATOM 420 N LEU A 31 -4.767 3.328 -6.111 1.00 0.00 N ATOM 421 CA LEU A 31 -4.943 2.249 -7.067 1.00 0.00 C ATOM 422 C LEU A 31 -3.581 1.861 -7.647 1.00 0.00 C ATOM 423 O LEU A 31 -3.183 0.699 -7.582 1.00 0.00 O ATOM 424 CB LEU A 31 -5.976 2.635 -8.128 1.00 0.00 C ATOM 425 CG LEU A 31 -6.300 1.563 -9.170 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.168 0.457 -8.567 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.942 2.183 -10.413 1.00 0.00 C ATOM 0 H LEU A 31 -5.465 4.070 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.344 1.364 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.901 2.913 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.618 3.523 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.365 1.101 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.384 -0.292 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.637 -0.011 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.102 0.885 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.162 1.399 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.866 2.688 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.255 2.904 -10.856 1.00 0.00 H new ATOM 439 N ASP A 32 -2.905 2.856 -8.202 1.00 0.00 N ATOM 440 CA ASP A 32 -1.596 2.634 -8.793 1.00 0.00 C ATOM 441 C ASP A 32 -0.766 1.746 -7.864 1.00 0.00 C ATOM 442 O ASP A 32 -0.324 0.668 -8.260 1.00 0.00 O ATOM 443 CB ASP A 32 -0.845 3.953 -8.981 1.00 0.00 C ATOM 444 CG ASP A 32 -1.491 4.930 -9.965 1.00 0.00 C ATOM 445 OD1 ASP A 32 -2.738 5.021 -9.939 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.724 5.564 -10.722 1.00 0.00 O ATOM 0 H ASP A 32 -3.239 3.818 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.741 2.160 -9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.754 4.444 -8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.166 3.732 -9.322 1.00 0.00 H new ATOM 451 N LEU A 33 -0.579 2.231 -6.645 1.00 0.00 N ATOM 452 CA LEU A 33 0.191 1.494 -5.657 1.00 0.00 C ATOM 453 C LEU A 33 -0.289 0.042 -5.621 1.00 0.00 C ATOM 454 O LEU A 33 0.508 -0.883 -5.766 1.00 0.00 O ATOM 455 CB LEU A 33 0.129 2.196 -4.298 1.00 0.00 C ATOM 456 CG LEU A 33 1.157 1.741 -3.261 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.566 2.194 -3.651 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.770 2.216 -1.859 1.00 0.00 C ATOM 0 H LEU A 33 -0.947 3.125 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 33 1.245 1.474 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.254 3.267 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.867 2.050 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 33 1.162 0.651 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.278 1.858 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.831 1.766 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.593 3.282 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.518 1.879 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.719 3.305 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.203 1.803 -1.591 1.00 0.00 H new ATOM 470 N LYS A 34 -1.591 -0.113 -5.428 1.00 0.00 N ATOM 471 CA LYS A 34 -2.187 -1.437 -5.372 1.00 0.00 C ATOM 472 C LYS A 34 -1.832 -2.206 -6.646 1.00 0.00 C ATOM 473 O LYS A 34 -1.185 -3.250 -6.585 1.00 0.00 O ATOM 474 CB LYS A 34 -3.692 -1.337 -5.113 1.00 0.00 C ATOM 475 CG LYS A 34 -3.972 -0.752 -3.727 1.00 0.00 C ATOM 476 CD LYS A 34 -5.435 -0.321 -3.599 1.00 0.00 C ATOM 477 CE LYS A 34 -5.959 -0.577 -2.185 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.274 0.077 -1.994 1.00 0.00 N ATOM 0 H LYS A 34 -2.250 0.657 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.780 -2.003 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.155 -0.711 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.145 -2.325 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.739 -1.493 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.320 0.104 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.528 0.738 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.043 -0.866 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.051 -1.649 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.247 -0.197 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.616 -0.106 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.176 1.102 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.955 -0.305 -2.681 1.00 0.00 H new ATOM 492 N GLN A 35 -2.271 -1.659 -7.770 1.00 0.00 N ATOM 493 CA GLN A 35 -2.008 -2.281 -9.057 1.00 0.00 C ATOM 494 C GLN A 35 -0.558 -2.762 -9.127 1.00 0.00 C ATOM 495 O GLN A 35 -0.282 -3.837 -9.659 1.00 0.00 O ATOM 496 CB GLN A 35 -2.322 -1.319 -10.205 1.00 0.00 C ATOM 497 CG GLN A 35 -3.816 -1.333 -10.539 1.00 0.00 C ATOM 498 CD GLN A 35 -4.043 -1.156 -12.041 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.881 -2.071 -12.832 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.428 0.069 -12.390 1.00 0.00 N ATOM 0 H GLN A 35 -2.807 -0.792 -7.816 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.663 -3.146 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.016 -0.309 -9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.746 -1.599 -11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.257 -2.274 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.322 -0.535 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.545 0.789 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.606 0.288 -13.370 1.00 0.00 H new ATOM 509 N PHE A 36 0.331 -1.944 -8.583 1.00 0.00 N ATOM 510 CA PHE A 36 1.746 -2.273 -8.577 1.00 0.00 C ATOM 511 C PHE A 36 2.054 -3.352 -7.537 1.00 0.00 C ATOM 512 O PHE A 36 2.698 -4.353 -7.847 1.00 0.00 O ATOM 513 CB PHE A 36 2.501 -0.995 -8.207 1.00 0.00 C ATOM 514 CG PHE A 36 3.991 -1.030 -8.553 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.390 -1.357 -9.812 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.917 -0.735 -7.602 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.773 -1.389 -10.133 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.300 -0.768 -7.923 1.00 0.00 C ATOM 519 CZ PHE A 36 6.699 -1.094 -9.181 1.00 0.00 C ATOM 0 H PHE A 36 0.098 -1.054 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 36 2.043 -2.653 -9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.039 -0.151 -8.720 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.391 -0.817 -7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.655 -1.592 -10.567 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.601 -0.476 -6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.090 -1.647 -11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.035 -0.534 -7.167 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.751 -1.119 -9.425 1.00 0.00 H new ATOM 529 N LEU A 37 1.579 -3.112 -6.323 1.00 0.00 N ATOM 530 CA LEU A 37 1.795 -4.050 -5.235 1.00 0.00 C ATOM 531 C LEU A 37 1.432 -5.461 -5.704 1.00 0.00 C ATOM 532 O LEU A 37 2.065 -6.435 -5.302 1.00 0.00 O ATOM 533 CB LEU A 37 1.037 -3.604 -3.984 1.00 0.00 C ATOM 534 CG LEU A 37 1.539 -2.322 -3.317 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.384 -1.545 -2.682 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.648 -2.627 -2.308 1.00 0.00 C ATOM 0 H LEU A 37 1.045 -2.281 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 37 2.847 -4.068 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.011 -3.466 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.077 -4.411 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 37 1.971 -1.683 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.769 -0.638 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.341 -1.278 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.100 -2.165 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.987 -1.699 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.265 -3.295 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.484 -3.105 -2.819 1.00 0.00 H new ATOM 548 N LYS A 38 0.413 -5.525 -6.549 1.00 0.00 N ATOM 549 CA LYS A 38 -0.043 -6.799 -7.077 1.00 0.00 C ATOM 550 C LYS A 38 1.154 -7.574 -7.631 1.00 0.00 C ATOM 551 O LYS A 38 1.126 -8.802 -7.700 1.00 0.00 O ATOM 552 CB LYS A 38 -1.164 -6.587 -8.097 1.00 0.00 C ATOM 553 CG LYS A 38 -1.649 -7.923 -8.664 1.00 0.00 C ATOM 554 CD LYS A 38 -2.952 -7.745 -9.447 1.00 0.00 C ATOM 555 CE LYS A 38 -2.804 -8.258 -10.881 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.953 -7.826 -11.707 1.00 0.00 N ATOM 0 H LYS A 38 -0.110 -4.714 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.477 -7.407 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.996 -6.065 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.808 -5.952 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.884 -8.345 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.803 -8.633 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.758 -8.282 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.231 -6.691 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.876 -7.883 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.738 -9.346 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.837 -8.183 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.833 -8.204 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.998 -6.787 -11.723 1.00 0.00 H new ATOM 570 N THR A 39 2.178 -6.824 -8.012 1.00 0.00 N ATOM 571 CA THR A 39 3.383 -7.426 -8.558 1.00 0.00 C ATOM 572 C THR A 39 4.436 -7.601 -7.462 1.00 0.00 C ATOM 573 O THR A 39 5.287 -8.485 -7.549 1.00 0.00 O ATOM 574 CB THR A 39 3.859 -6.556 -9.724 1.00 0.00 C ATOM 575 OG1 THR A 39 4.456 -7.482 -10.627 1.00 0.00 O ATOM 576 CG2 THR A 39 5.009 -5.626 -9.329 1.00 0.00 C ATOM 0 H THR A 39 2.198 -5.806 -7.954 1.00 0.00 H new ATOM 0 HA THR A 39 3.187 -8.428 -8.939 1.00 0.00 H new ATOM 0 HB THR A 39 3.025 -5.963 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.791 -7.003 -11.413 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.309 -5.031 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.682 -4.964 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.856 -6.220 -8.986 1.00 0.00 H new ATOM 584 N LEU A 40 4.343 -6.745 -6.455 1.00 0.00 N ATOM 585 CA LEU A 40 5.277 -6.794 -5.342 1.00 0.00 C ATOM 586 C LEU A 40 5.020 -8.061 -4.523 1.00 0.00 C ATOM 587 O LEU A 40 5.931 -8.857 -4.303 1.00 0.00 O ATOM 588 CB LEU A 40 5.202 -5.505 -4.522 1.00 0.00 C ATOM 589 CG LEU A 40 5.718 -4.240 -5.211 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.378 -2.993 -4.394 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.217 -4.346 -5.499 1.00 0.00 C ATOM 0 H LEU A 40 3.635 -6.014 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 40 6.303 -6.852 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.163 -5.340 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.768 -5.650 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 40 5.211 -4.143 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.756 -2.108 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.296 -2.914 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.839 -3.067 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.559 -3.434 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.759 -4.480 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.403 -5.200 -6.151 1.00 0.00 H new ATOM 603 N THR A 41 3.776 -8.207 -4.093 1.00 0.00 N ATOM 604 CA THR A 41 3.388 -9.363 -3.302 1.00 0.00 C ATOM 605 C THR A 41 2.869 -10.480 -4.210 1.00 0.00 C ATOM 606 O THR A 41 3.488 -11.538 -4.313 1.00 0.00 O ATOM 607 CB THR A 41 2.366 -8.902 -2.261 1.00 0.00 C ATOM 608 OG1 THR A 41 1.324 -8.312 -3.035 1.00 0.00 O ATOM 609 CG2 THR A 41 2.887 -7.751 -1.398 1.00 0.00 C ATOM 0 H THR A 41 3.023 -7.544 -4.277 1.00 0.00 H new ATOM 0 HA THR A 41 4.243 -9.786 -2.774 1.00 0.00 H new ATOM 0 HB THR A 41 2.096 -9.742 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.787 -7.723 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.123 -7.463 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.784 -8.071 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.126 -6.899 -2.034 1.00 0.00 H new ATOM 617 N GLY A 42 1.739 -10.207 -4.845 1.00 0.00 N ATOM 618 CA GLY A 42 1.131 -11.176 -5.740 1.00 0.00 C ATOM 619 C GLY A 42 -0.298 -11.506 -5.302 1.00 0.00 C ATOM 620 O GLY A 42 -0.698 -12.669 -5.304 1.00 0.00 O ATOM 0 H GLY A 42 1.228 -9.328 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.122 -10.782 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.730 -12.087 -5.757 1.00 0.00 H new ATOM 624 N VAL A 43 -1.027 -10.461 -4.937 1.00 0.00 N ATOM 625 CA VAL A 43 -2.402 -10.626 -4.497 1.00 0.00 C ATOM 626 C VAL A 43 -3.273 -9.550 -5.148 1.00 0.00 C ATOM 627 O VAL A 43 -2.864 -8.395 -5.253 1.00 0.00 O ATOM 628 CB VAL A 43 -2.469 -10.605 -2.969 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.912 -10.741 -2.481 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.581 -11.696 -2.367 1.00 0.00 C ATOM 0 H VAL A 43 -0.691 -9.498 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.790 -11.594 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.091 -9.640 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.931 -10.723 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.506 -9.913 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.329 -11.684 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.647 -11.660 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.915 -12.672 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.548 -11.534 -2.674 1.00 0.00 H new ATOM 640 N LEU A 44 -4.458 -9.968 -5.569 1.00 0.00 N ATOM 641 CA LEU A 44 -5.391 -9.054 -6.207 1.00 0.00 C ATOM 642 C LEU A 44 -5.437 -7.745 -5.416 1.00 0.00 C ATOM 643 O LEU A 44 -5.192 -7.735 -4.211 1.00 0.00 O ATOM 644 CB LEU A 44 -6.758 -9.718 -6.378 1.00 0.00 C ATOM 645 CG LEU A 44 -6.787 -10.981 -7.240 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.216 -11.508 -7.393 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.119 -10.737 -8.595 1.00 0.00 C ATOM 0 H LEU A 44 -4.793 -10.927 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.055 -8.807 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.145 -9.968 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.442 -8.989 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.211 -11.754 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.208 -12.406 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.623 -11.746 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.836 -10.747 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.154 -11.651 -9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.646 -9.942 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.081 -10.443 -8.441 1.00 0.00 H new ATOM 659 N PRO A 45 -5.762 -6.644 -6.145 1.00 0.00 N ATOM 660 CA PRO A 45 -5.844 -5.333 -5.525 1.00 0.00 C ATOM 661 C PRO A 45 -7.120 -5.200 -4.690 1.00 0.00 C ATOM 662 O PRO A 45 -7.098 -4.624 -3.604 1.00 0.00 O ATOM 663 CB PRO A 45 -5.784 -4.347 -6.680 1.00 0.00 C ATOM 664 CG PRO A 45 -6.139 -5.142 -7.926 1.00 0.00 C ATOM 665 CD PRO A 45 -6.060 -6.618 -7.574 1.00 0.00 C ATOM 0 HA PRO A 45 -5.033 -5.150 -4.820 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.484 -3.525 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.790 -3.908 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.141 -4.885 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.452 -4.906 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.999 -7.128 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.283 -7.121 -8.150 1.00 0.00 H new ATOM 673 N GLU A 46 -8.201 -5.742 -5.231 1.00 0.00 N ATOM 674 CA GLU A 46 -9.484 -5.691 -4.550 1.00 0.00 C ATOM 675 C GLU A 46 -9.428 -6.499 -3.251 1.00 0.00 C ATOM 676 O GLU A 46 -10.231 -6.281 -2.345 1.00 0.00 O ATOM 677 CB GLU A 46 -10.608 -6.192 -5.459 1.00 0.00 C ATOM 678 CG GLU A 46 -10.438 -7.680 -5.772 1.00 0.00 C ATOM 679 CD GLU A 46 -11.524 -8.165 -6.735 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.022 -7.314 -7.504 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.831 -9.375 -6.680 1.00 0.00 O ATOM 0 H GLU A 46 -8.215 -6.219 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.699 -4.652 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.572 -6.026 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.613 -5.620 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.455 -7.853 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.482 -8.257 -4.848 1.00 0.00 H new ATOM 688 N ARG A 47 -8.472 -7.414 -3.202 1.00 0.00 N ATOM 689 CA ARG A 47 -8.301 -8.256 -2.030 1.00 0.00 C ATOM 690 C ARG A 47 -7.261 -7.647 -1.087 1.00 0.00 C ATOM 691 O ARG A 47 -7.431 -7.674 0.131 1.00 0.00 O ATOM 692 CB ARG A 47 -7.858 -9.666 -2.424 1.00 0.00 C ATOM 693 CG ARG A 47 -9.009 -10.443 -3.067 1.00 0.00 C ATOM 694 CD ARG A 47 -9.132 -11.842 -2.460 1.00 0.00 C ATOM 695 NE ARG A 47 -10.426 -11.975 -1.753 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.609 -12.104 -2.369 1.00 0.00 C ATOM 697 NH1 ARG A 47 -11.669 -12.119 -3.707 1.00 0.00 N ATOM 698 NH2 ARG A 47 -12.732 -12.218 -1.646 1.00 0.00 N ATOM 0 H ARG A 47 -7.807 -7.591 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.264 -8.319 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.021 -9.607 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.503 -10.199 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.943 -9.899 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.844 -10.522 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.057 -12.595 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.310 -12.020 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.416 -11.968 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.814 -12.032 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.569 -12.217 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.686 -12.207 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.633 -12.316 -2.115 1.00 0.00 H new ATOM 712 N GLN A 48 -6.207 -7.112 -1.686 1.00 0.00 N ATOM 713 CA GLN A 48 -5.140 -6.498 -0.914 1.00 0.00 C ATOM 714 C GLN A 48 -5.705 -5.407 -0.002 1.00 0.00 C ATOM 715 O GLN A 48 -6.292 -4.437 -0.478 1.00 0.00 O ATOM 716 CB GLN A 48 -4.054 -5.935 -1.833 1.00 0.00 C ATOM 717 CG GLN A 48 -3.015 -7.006 -2.173 1.00 0.00 C ATOM 718 CD GLN A 48 -1.745 -6.375 -2.748 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.673 -6.435 -2.167 1.00 0.00 O ATOM 720 NE2 GLN A 48 -1.924 -5.768 -3.917 1.00 0.00 N ATOM 0 H GLN A 48 -6.069 -7.091 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.681 -7.265 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.507 -5.559 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.565 -5.089 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.769 -7.576 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.434 -7.709 -2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.848 -5.755 -4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.137 -5.315 -4.382 1.00 0.00 H new ATOM 729 N LYS A 49 -5.507 -5.603 1.294 1.00 0.00 N ATOM 730 CA LYS A 49 -5.990 -4.649 2.277 1.00 0.00 C ATOM 731 C LYS A 49 -4.803 -3.876 2.856 1.00 0.00 C ATOM 732 O LYS A 49 -3.834 -4.475 3.320 1.00 0.00 O ATOM 733 CB LYS A 49 -6.840 -5.354 3.336 1.00 0.00 C ATOM 734 CG LYS A 49 -8.300 -4.902 3.258 1.00 0.00 C ATOM 735 CD LYS A 49 -8.575 -3.765 4.244 1.00 0.00 C ATOM 736 CE LYS A 49 -7.786 -2.509 3.868 1.00 0.00 C ATOM 737 NZ LYS A 49 -8.544 -1.292 4.234 1.00 0.00 N ATOM 0 H LYS A 49 -5.019 -6.408 1.685 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.649 -3.919 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.782 -6.433 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.442 -5.140 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.529 -4.573 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.957 -5.744 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.641 -3.539 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.305 -4.080 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.822 -2.511 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.580 -2.508 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.696 -0.710 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.464 -1.564 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.006 -0.746 4.937 1.00 0.00 H new ATOM 751 N LEU A 50 -4.918 -2.556 2.810 1.00 0.00 N ATOM 752 CA LEU A 50 -3.867 -1.695 3.324 1.00 0.00 C ATOM 753 C LEU A 50 -4.185 -1.318 4.772 1.00 0.00 C ATOM 754 O LEU A 50 -5.320 -0.968 5.091 1.00 0.00 O ATOM 755 CB LEU A 50 -3.664 -0.489 2.405 1.00 0.00 C ATOM 756 CG LEU A 50 -3.275 -0.806 0.959 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.717 0.434 0.257 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.302 -1.985 0.899 1.00 0.00 C ATOM 0 H LEU A 50 -5.723 -2.063 2.425 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.913 -2.223 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.585 0.093 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.891 0.146 2.837 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.175 -1.103 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.448 0.181 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.472 1.220 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.832 0.785 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.042 -2.189 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.399 -1.740 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.771 -2.867 1.336 1.00 0.00 H new ATOM 770 N LEU A 51 -3.162 -1.402 5.611 1.00 0.00 N ATOM 771 CA LEU A 51 -3.319 -1.074 7.017 1.00 0.00 C ATOM 772 C LEU A 51 -2.244 -0.064 7.424 1.00 0.00 C ATOM 773 O LEU A 51 -1.053 -0.370 7.383 1.00 0.00 O ATOM 774 CB LEU A 51 -3.321 -2.346 7.867 1.00 0.00 C ATOM 775 CG LEU A 51 -4.470 -2.482 8.869 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.818 -2.552 8.149 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.251 -3.680 9.795 1.00 0.00 C ATOM 0 H LEU A 51 -2.222 -1.693 5.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.285 -0.600 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.345 -3.206 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.380 -2.395 8.415 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.485 -1.590 9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.618 -2.648 8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.967 -1.643 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.831 -3.415 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.082 -3.754 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.195 -4.593 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.320 -3.548 10.347 1.00 0.00 H new ATOM 789 N GLY A 52 -2.702 1.119 7.806 1.00 0.00 N ATOM 790 CA GLY A 52 -1.794 2.175 8.220 1.00 0.00 C ATOM 791 C GLY A 52 -2.448 3.550 8.067 1.00 0.00 C ATOM 792 O GLY A 52 -2.426 4.358 8.995 1.00 0.00 O ATOM 0 H GLY A 52 -3.690 1.370 7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.501 2.021 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.884 2.132 7.622 1.00 0.00 H new ATOM 796 N LEU A 53 -3.013 3.774 6.890 1.00 0.00 N ATOM 797 CA LEU A 53 -3.671 5.038 6.604 1.00 0.00 C ATOM 798 C LEU A 53 -5.162 4.790 6.370 1.00 0.00 C ATOM 799 O LEU A 53 -5.535 3.899 5.608 1.00 0.00 O ATOM 800 CB LEU A 53 -2.977 5.752 5.442 1.00 0.00 C ATOM 801 CG LEU A 53 -2.711 4.905 4.196 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.240 5.598 2.939 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.226 4.556 4.077 1.00 0.00 C ATOM 0 H LEU A 53 -3.029 3.102 6.123 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.589 5.712 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.586 6.608 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.025 6.145 5.800 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.255 3.966 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.038 4.975 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.315 5.752 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.744 6.561 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.064 3.954 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.641 5.473 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.913 3.992 4.956 1.00 0.00 H new ATOM 815 N LYS A 54 -5.975 5.592 7.041 1.00 0.00 N ATOM 816 CA LYS A 54 -7.418 5.471 6.916 1.00 0.00 C ATOM 817 C LYS A 54 -8.032 6.865 6.769 1.00 0.00 C ATOM 818 O LYS A 54 -7.340 7.871 6.922 1.00 0.00 O ATOM 819 CB LYS A 54 -7.991 4.667 8.085 1.00 0.00 C ATOM 820 CG LYS A 54 -7.615 3.188 7.970 1.00 0.00 C ATOM 821 CD LYS A 54 -7.375 2.574 9.350 1.00 0.00 C ATOM 822 CE LYS A 54 -7.426 1.046 9.287 1.00 0.00 C ATOM 823 NZ LYS A 54 -7.793 0.485 10.607 1.00 0.00 N ATOM 0 H LYS A 54 -5.662 6.329 7.673 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.677 4.912 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.616 5.069 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.076 4.770 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.411 2.645 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.717 3.084 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.405 2.894 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.127 2.938 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.151 0.731 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.457 0.656 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.823 -0.553 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.086 0.770 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.728 0.843 10.888 1.00 0.00 H new ATOM 837 N VAL A 55 -9.323 6.879 6.475 1.00 0.00 N ATOM 838 CA VAL A 55 -10.038 8.133 6.306 1.00 0.00 C ATOM 839 C VAL A 55 -11.403 8.034 6.991 1.00 0.00 C ATOM 840 O VAL A 55 -12.327 7.423 6.456 1.00 0.00 O ATOM 841 CB VAL A 55 -10.140 8.481 4.819 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.088 9.660 4.596 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.758 8.769 4.228 1.00 0.00 C ATOM 0 H VAL A 55 -9.893 6.042 6.349 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.494 8.949 6.781 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.553 7.616 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.142 9.887 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.081 9.403 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.717 10.532 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.858 9.014 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.306 9.610 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.124 7.889 4.338 1.00 0.00 H new ATOM 853 N LYS A 56 -11.486 8.643 8.164 1.00 0.00 N ATOM 854 CA LYS A 56 -12.721 8.631 8.928 1.00 0.00 C ATOM 855 C LYS A 56 -13.353 7.239 8.847 1.00 0.00 C ATOM 856 O LYS A 56 -14.487 7.094 8.393 1.00 0.00 O ATOM 857 CB LYS A 56 -13.649 9.755 8.464 1.00 0.00 C ATOM 858 CG LYS A 56 -13.068 11.126 8.814 1.00 0.00 C ATOM 859 CD LYS A 56 -13.908 11.821 9.887 1.00 0.00 C ATOM 860 CE LYS A 56 -15.031 12.646 9.255 1.00 0.00 C ATOM 861 NZ LYS A 56 -14.839 14.086 9.541 1.00 0.00 N ATOM 0 H LYS A 56 -10.717 9.148 8.604 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.519 8.829 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.801 9.685 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.627 9.640 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.043 11.011 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.029 11.747 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.333 11.076 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.271 12.468 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.049 12.482 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.995 12.317 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.609 14.632 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.845 14.239 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.928 14.399 9.149 1.00 0.00 H new ATOM 875 N GLY A 57 -12.591 6.252 9.293 1.00 0.00 N ATOM 876 CA GLY A 57 -13.061 4.877 9.277 1.00 0.00 C ATOM 877 C GLY A 57 -12.362 4.072 8.180 1.00 0.00 C ATOM 878 O GLY A 57 -11.385 3.373 8.444 1.00 0.00 O ATOM 0 H GLY A 57 -11.651 6.377 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.876 4.414 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.139 4.859 9.116 1.00 0.00 H new ATOM 882 N LYS A 58 -12.890 4.196 6.971 1.00 0.00 N ATOM 883 CA LYS A 58 -12.329 3.488 5.833 1.00 0.00 C ATOM 884 C LYS A 58 -11.239 4.348 5.190 1.00 0.00 C ATOM 885 O LYS A 58 -11.269 5.573 5.292 1.00 0.00 O ATOM 886 CB LYS A 58 -13.436 3.072 4.862 1.00 0.00 C ATOM 887 CG LYS A 58 -14.351 2.019 5.492 1.00 0.00 C ATOM 888 CD LYS A 58 -15.350 1.478 4.468 1.00 0.00 C ATOM 889 CE LYS A 58 -16.724 1.260 5.105 1.00 0.00 C ATOM 890 NZ LYS A 58 -17.728 2.158 4.491 1.00 0.00 N ATOM 0 H LYS A 58 -13.700 4.776 6.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.855 2.561 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.023 3.946 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.993 2.675 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.750 1.200 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.888 2.456 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.438 2.177 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.982 0.538 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.030 0.222 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.668 1.447 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.655 1.997 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.442 3.148 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.793 1.961 3.472 1.00 0.00 H new ATOM 904 N PRO A 59 -10.277 3.653 4.525 1.00 0.00 N ATOM 905 CA PRO A 59 -9.179 4.340 3.865 1.00 0.00 C ATOM 906 C PRO A 59 -9.647 5.003 2.568 1.00 0.00 C ATOM 907 O PRO A 59 -10.663 4.609 1.997 1.00 0.00 O ATOM 908 CB PRO A 59 -8.125 3.269 3.639 1.00 0.00 C ATOM 909 CG PRO A 59 -8.851 1.938 3.755 1.00 0.00 C ATOM 910 CD PRO A 59 -10.210 2.202 4.383 1.00 0.00 C ATOM 0 HA PRO A 59 -8.775 5.158 4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.662 3.377 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.327 3.344 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.967 1.479 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.277 1.242 4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.017 1.828 3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.303 1.705 5.349 1.00 0.00 H new ATOM 918 N ALA A 60 -8.883 5.997 2.140 1.00 0.00 N ATOM 919 CA ALA A 60 -9.207 6.718 0.921 1.00 0.00 C ATOM 920 C ALA A 60 -9.596 5.718 -0.170 1.00 0.00 C ATOM 921 O ALA A 60 -9.249 4.541 -0.090 1.00 0.00 O ATOM 922 CB ALA A 60 -8.019 7.592 0.514 1.00 0.00 C ATOM 0 H ALA A 60 -8.041 6.320 2.616 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.059 7.379 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.262 8.133 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.802 8.304 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.146 6.962 0.342 1.00 0.00 H new ATOM 928 N GLU A 61 -10.311 6.224 -1.164 1.00 0.00 N ATOM 929 CA GLU A 61 -10.751 5.390 -2.269 1.00 0.00 C ATOM 930 C GLU A 61 -9.554 4.963 -3.121 1.00 0.00 C ATOM 931 O GLU A 61 -8.439 5.437 -2.913 1.00 0.00 O ATOM 932 CB GLU A 61 -11.799 6.112 -3.118 1.00 0.00 C ATOM 933 CG GLU A 61 -13.118 6.256 -2.355 1.00 0.00 C ATOM 934 CD GLU A 61 -14.311 6.219 -3.313 1.00 0.00 C ATOM 935 OE1 GLU A 61 -14.607 5.111 -3.809 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.901 7.300 -3.526 1.00 0.00 O ATOM 0 H GLU A 61 -10.597 7.201 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.218 4.495 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.428 7.098 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.968 5.559 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.209 5.453 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.121 7.194 -1.800 1.00 0.00 H new ATOM 943 N ASN A 62 -9.827 4.073 -4.064 1.00 0.00 N ATOM 944 CA ASN A 62 -8.787 3.578 -4.949 1.00 0.00 C ATOM 945 C ASN A 62 -8.643 4.526 -6.141 1.00 0.00 C ATOM 946 O ASN A 62 -8.731 4.100 -7.292 1.00 0.00 O ATOM 947 CB ASN A 62 -9.137 2.190 -5.488 1.00 0.00 C ATOM 948 CG ASN A 62 -10.568 2.157 -6.029 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.533 2.394 -5.321 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.651 1.850 -7.321 1.00 0.00 N ATOM 0 H ASN A 62 -10.754 3.682 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.859 3.520 -4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.439 1.916 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.027 1.450 -4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.563 1.802 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.803 1.663 -7.856 1.00 0.00 H new ATOM 957 N ASP A 63 -8.424 5.794 -5.825 1.00 0.00 N ATOM 958 CA ASP A 63 -8.268 6.806 -6.856 1.00 0.00 C ATOM 959 C ASP A 63 -8.005 8.162 -6.198 1.00 0.00 C ATOM 960 O ASP A 63 -8.490 9.189 -6.670 1.00 0.00 O ATOM 961 CB ASP A 63 -9.535 6.929 -7.704 1.00 0.00 C ATOM 962 CG ASP A 63 -9.296 7.088 -9.206 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.404 6.377 -9.717 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.009 7.918 -9.810 1.00 0.00 O ATOM 0 H ASP A 63 -8.351 6.144 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.435 6.511 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.150 6.044 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.109 7.786 -7.350 1.00 0.00 H new ATOM 969 N VAL A 64 -7.238 8.121 -5.119 1.00 0.00 N ATOM 970 CA VAL A 64 -6.904 9.334 -4.391 1.00 0.00 C ATOM 971 C VAL A 64 -5.403 9.600 -4.512 1.00 0.00 C ATOM 972 O VAL A 64 -4.607 8.664 -4.591 1.00 0.00 O ATOM 973 CB VAL A 64 -7.376 9.220 -2.940 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.471 10.023 -2.004 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.835 9.659 -2.802 1.00 0.00 C ATOM 0 H VAL A 64 -6.838 7.267 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.421 10.192 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.313 8.172 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.829 9.925 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.451 9.644 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.487 11.073 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.145 9.568 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.935 10.696 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.466 9.026 -3.425 1.00 0.00 H new ATOM 985 N LYS A 65 -5.060 10.879 -4.523 1.00 0.00 N ATOM 986 CA LYS A 65 -3.667 11.280 -4.633 1.00 0.00 C ATOM 987 C LYS A 65 -2.944 10.962 -3.322 1.00 0.00 C ATOM 988 O LYS A 65 -3.231 11.564 -2.289 1.00 0.00 O ATOM 989 CB LYS A 65 -3.564 12.748 -5.051 1.00 0.00 C ATOM 990 CG LYS A 65 -3.301 12.873 -6.553 1.00 0.00 C ATOM 991 CD LYS A 65 -1.937 13.513 -6.820 1.00 0.00 C ATOM 992 CE LYS A 65 -2.045 14.614 -7.877 1.00 0.00 C ATOM 993 NZ LYS A 65 -0.791 15.398 -7.939 1.00 0.00 N ATOM 0 H LYS A 65 -5.722 11.652 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.168 10.713 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.487 13.268 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.761 13.232 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.341 11.887 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.085 13.474 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.540 13.930 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.233 12.751 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.253 14.172 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.881 15.272 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.680 15.800 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.828 16.167 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.017 14.778 -7.729 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.021 10.016 -3.408 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.254 9.610 -2.242 1.00 0.00 C ATOM 1009 C LEU A 66 -0.591 10.841 -1.620 1.00 0.00 C ATOM 1010 O LEU A 66 -0.258 10.839 -0.436 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.268 8.499 -2.609 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.883 7.215 -3.168 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.069 6.686 -4.350 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.048 6.162 -2.070 1.00 0.00 C ATOM 0 H LEU A 66 -1.787 9.519 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.910 9.183 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.434 8.892 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.310 8.245 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.880 7.450 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.528 5.773 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.047 7.436 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.949 6.472 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.487 5.259 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.073 5.925 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.701 6.550 -1.289 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.418 11.862 -2.447 1.00 0.00 N ATOM 1027 CA GLY A 67 0.200 13.096 -1.992 1.00 0.00 C ATOM 1028 C GLY A 67 -0.787 13.937 -1.180 1.00 0.00 C ATOM 1029 O GLY A 67 -0.422 14.510 -0.155 1.00 0.00 O ATOM 0 H GLY A 67 -0.695 11.860 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.074 12.866 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.551 13.669 -2.850 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.017 13.984 -1.670 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.059 14.745 -1.002 1.00 0.00 C ATOM 1035 C ALA A 68 -3.117 14.338 0.472 1.00 0.00 C ATOM 1036 O ALA A 68 -3.389 15.168 1.338 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.392 14.525 -1.721 1.00 0.00 C ATOM 0 H ALA A 68 -2.315 13.508 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.840 15.812 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.174 15.096 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.306 14.857 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.646 13.465 -1.700 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.858 13.061 0.711 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.878 12.534 2.065 1.00 0.00 C ATOM 1045 C LEU A 69 -1.680 13.087 2.840 1.00 0.00 C ATOM 1046 O LEU A 69 -1.726 13.199 4.064 1.00 0.00 O ATOM 1047 CB LEU A 69 -2.945 11.006 2.044 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.348 10.396 2.050 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.207 11.009 3.158 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.007 10.523 0.676 1.00 0.00 C ATOM 0 H LEU A 69 -2.633 12.376 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.776 12.862 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.420 10.651 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.402 10.626 2.909 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.257 9.331 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.199 10.558 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.741 10.822 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.294 12.084 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.003 10.082 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.085 11.576 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.403 10.002 -0.067 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.635 13.418 2.095 1.00 0.00 N ATOM 1063 CA LYS A 70 0.573 13.957 2.696 1.00 0.00 C ATOM 1064 C LYS A 70 1.011 13.050 3.848 1.00 0.00 C ATOM 1065 O LYS A 70 1.063 13.484 4.998 1.00 0.00 O ATOM 1066 CB LYS A 70 0.362 15.415 3.107 1.00 0.00 C ATOM 1067 CG LYS A 70 0.990 16.368 2.088 1.00 0.00 C ATOM 1068 CD LYS A 70 2.517 16.339 2.177 1.00 0.00 C ATOM 1069 CE LYS A 70 3.132 17.527 1.435 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.600 17.550 1.622 1.00 0.00 N ATOM 0 H LYS A 70 -0.600 13.323 1.080 1.00 0.00 H new ATOM 0 HA LYS A 70 1.387 13.969 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.705 15.621 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.801 15.587 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.676 16.089 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.631 17.382 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.824 16.360 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.892 15.407 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.896 17.462 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.698 18.457 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.002 18.362 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.820 17.634 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.011 16.670 1.250 1.00 0.00 H new ATOM 1084 N LEU A 71 1.314 11.809 3.500 1.00 0.00 N ATOM 1085 CA LEU A 71 1.746 10.837 4.490 1.00 0.00 C ATOM 1086 C LEU A 71 3.242 11.018 4.756 1.00 0.00 C ATOM 1087 O LEU A 71 3.897 11.836 4.113 1.00 0.00 O ATOM 1088 CB LEU A 71 1.365 9.421 4.054 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.111 9.197 3.719 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.265 8.456 2.389 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.829 8.477 4.863 1.00 0.00 C ATOM 0 H LEU A 71 1.269 11.453 2.545 1.00 0.00 H new ATOM 0 HA LEU A 71 1.231 11.002 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.960 9.159 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.646 8.730 4.848 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.587 10.171 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.324 8.310 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.189 9.043 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.230 7.487 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.876 8.330 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.359 7.509 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.764 9.079 5.769 1.00 0.00 H new ATOM 1103 N LYS A 72 3.740 10.239 5.706 1.00 0.00 N ATOM 1104 CA LYS A 72 5.146 10.302 6.065 1.00 0.00 C ATOM 1105 C LYS A 72 5.959 9.468 5.073 1.00 0.00 C ATOM 1106 O LYS A 72 5.423 8.571 4.425 1.00 0.00 O ATOM 1107 CB LYS A 72 5.346 9.890 7.525 1.00 0.00 C ATOM 1108 CG LYS A 72 4.609 10.841 8.469 1.00 0.00 C ATOM 1109 CD LYS A 72 4.936 10.526 9.930 1.00 0.00 C ATOM 1110 CE LYS A 72 3.714 9.958 10.655 1.00 0.00 C ATOM 1111 NZ LYS A 72 4.014 9.745 12.089 1.00 0.00 N ATOM 0 H LYS A 72 3.194 9.561 6.238 1.00 0.00 H new ATOM 0 HA LYS A 72 5.511 11.327 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.984 8.873 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.410 9.887 7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.888 11.871 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.534 10.759 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.756 9.810 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.274 11.431 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.872 10.642 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.417 9.015 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.174 9.359 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.804 9.075 12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.275 10.651 12.527 1.00 0.00 H new ATOM 1125 N PRO A 73 7.275 9.801 4.984 1.00 0.00 N ATOM 1126 CA PRO A 73 8.167 9.093 4.082 1.00 0.00 C ATOM 1127 C PRO A 73 8.520 7.710 4.634 1.00 0.00 C ATOM 1128 O PRO A 73 8.444 7.481 5.841 1.00 0.00 O ATOM 1129 CB PRO A 73 9.378 10.000 3.935 1.00 0.00 C ATOM 1130 CG PRO A 73 9.328 10.958 5.113 1.00 0.00 C ATOM 1131 CD PRO A 73 7.945 10.858 5.737 1.00 0.00 C ATOM 0 HA PRO A 73 7.713 8.895 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.302 9.422 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.347 10.542 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.096 10.705 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.525 11.978 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.006 10.612 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.406 11.802 5.659 1.00 0.00 H new ATOM 1139 N ASN A 74 8.897 6.824 3.725 1.00 0.00 N ATOM 1140 CA ASN A 74 9.261 5.470 4.105 1.00 0.00 C ATOM 1141 C ASN A 74 8.290 4.966 5.174 1.00 0.00 C ATOM 1142 O ASN A 74 8.690 4.260 6.099 1.00 0.00 O ATOM 1143 CB ASN A 74 10.674 5.423 4.690 1.00 0.00 C ATOM 1144 CG ASN A 74 10.905 6.585 5.659 1.00 0.00 C ATOM 1145 OD1 ASN A 74 11.103 7.723 5.268 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.868 6.235 6.942 1.00 0.00 N ATOM 0 H ASN A 74 8.958 7.017 2.725 1.00 0.00 H new ATOM 0 HA ASN A 74 9.219 4.847 3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.825 4.476 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.407 5.466 3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.010 6.938 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.697 5.263 7.201 1.00 0.00 H new ATOM 1153 N THR A 75 7.032 5.349 5.013 1.00 0.00 N ATOM 1154 CA THR A 75 6.000 4.945 5.952 1.00 0.00 C ATOM 1155 C THR A 75 5.748 3.439 5.853 1.00 0.00 C ATOM 1156 O THR A 75 5.135 2.970 4.896 1.00 0.00 O ATOM 1157 CB THR A 75 4.754 5.789 5.678 1.00 0.00 C ATOM 1158 OG1 THR A 75 5.052 7.051 6.267 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.530 5.296 6.453 1.00 0.00 C ATOM 0 H THR A 75 6.704 5.935 4.246 1.00 0.00 H new ATOM 0 HA THR A 75 6.311 5.123 6.981 1.00 0.00 H new ATOM 0 HB THR A 75 4.536 5.777 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.628 7.764 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.674 5.930 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.308 4.268 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.735 5.339 7.523 1.00 0.00 H new ATOM 1167 N LYS A 76 6.234 2.723 6.857 1.00 0.00 N ATOM 1168 CA LYS A 76 6.069 1.280 6.895 1.00 0.00 C ATOM 1169 C LYS A 76 4.624 0.946 7.270 1.00 0.00 C ATOM 1170 O LYS A 76 4.241 1.053 8.434 1.00 0.00 O ATOM 1171 CB LYS A 76 7.108 0.647 7.823 1.00 0.00 C ATOM 1172 CG LYS A 76 8.524 1.082 7.440 1.00 0.00 C ATOM 1173 CD LYS A 76 9.455 1.049 8.653 1.00 0.00 C ATOM 1174 CE LYS A 76 10.101 -0.329 8.811 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.735 -0.455 10.143 1.00 0.00 N ATOM 0 H LYS A 76 6.742 3.115 7.650 1.00 0.00 H new ATOM 0 HA LYS A 76 6.250 0.849 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.902 0.934 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.032 -0.439 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.912 0.425 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.499 2.089 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.230 1.807 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.893 1.297 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.348 -1.107 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.847 -0.479 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.169 -1.396 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.468 0.275 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.015 -0.333 10.883 1.00 0.00 H new ATOM 1189 N ILE A 77 3.862 0.547 6.262 1.00 0.00 N ATOM 1190 CA ILE A 77 2.468 0.197 6.471 1.00 0.00 C ATOM 1191 C ILE A 77 2.320 -1.326 6.446 1.00 0.00 C ATOM 1192 O ILE A 77 3.179 -2.028 5.914 1.00 0.00 O ATOM 1193 CB ILE A 77 1.576 0.918 5.459 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.809 0.384 4.044 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.770 2.434 5.539 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.695 -0.580 3.631 1.00 0.00 C ATOM 0 H ILE A 77 4.184 0.458 5.298 1.00 0.00 H new ATOM 0 HA ILE A 77 2.134 0.535 7.452 1.00 0.00 H new ATOM 0 HB ILE A 77 0.536 0.713 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.854 1.215 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.771 -0.126 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.124 2.922 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.514 2.781 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.810 2.680 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.885 -0.945 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.668 -1.422 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.263 -0.061 3.655 1.00 0.00 H new ATOM 1208 N MET A 78 1.224 -1.792 7.028 1.00 0.00 N ATOM 1209 CA MET A 78 0.953 -3.219 7.078 1.00 0.00 C ATOM 1210 C MET A 78 -0.033 -3.628 5.983 1.00 0.00 C ATOM 1211 O MET A 78 -0.874 -2.831 5.570 1.00 0.00 O ATOM 1212 CB MET A 78 0.374 -3.580 8.448 1.00 0.00 C ATOM 1213 CG MET A 78 0.763 -5.005 8.848 1.00 0.00 C ATOM 1214 SD MET A 78 2.293 -4.984 9.768 1.00 0.00 S ATOM 1215 CE MET A 78 1.937 -6.236 10.990 1.00 0.00 C ATOM 0 H MET A 78 0.514 -1.207 7.469 1.00 0.00 H new ATOM 0 HA MET A 78 1.889 -3.754 6.916 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.736 -2.876 9.197 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.712 -3.489 8.424 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.028 -5.451 9.451 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.873 -5.624 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.795 -6.352 11.653 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.066 -5.938 11.573 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.733 -7.184 10.491 1.00 0.00 H new ATOM 1225 N MET A 79 0.102 -4.871 5.543 1.00 0.00 N ATOM 1226 CA MET A 79 -0.766 -5.396 4.504 1.00 0.00 C ATOM 1227 C MET A 79 -1.600 -6.568 5.026 1.00 0.00 C ATOM 1228 O MET A 79 -1.151 -7.315 5.894 1.00 0.00 O ATOM 1229 CB MET A 79 0.080 -5.861 3.317 1.00 0.00 C ATOM 1230 CG MET A 79 -0.737 -5.851 2.023 1.00 0.00 C ATOM 1231 SD MET A 79 0.153 -6.705 0.733 1.00 0.00 S ATOM 1232 CE MET A 79 -0.719 -8.262 0.732 1.00 0.00 C ATOM 0 H MET A 79 0.800 -5.530 5.888 1.00 0.00 H new ATOM 0 HA MET A 79 -1.444 -4.603 4.190 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.948 -5.211 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.456 -6.866 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.702 -6.330 2.189 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.939 -4.824 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.288 -8.920 -0.022 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.632 -8.728 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.771 -8.090 0.504 1.00 0.00 H new ATOM 1242 N MET A 80 -2.799 -6.691 4.476 1.00 0.00 N ATOM 1243 CA MET A 80 -3.699 -7.759 4.875 1.00 0.00 C ATOM 1244 C MET A 80 -4.349 -8.414 3.655 1.00 0.00 C ATOM 1245 O MET A 80 -5.011 -7.743 2.864 1.00 0.00 O ATOM 1246 CB MET A 80 -4.787 -7.194 5.791 1.00 0.00 C ATOM 1247 CG MET A 80 -4.246 -6.958 7.203 1.00 0.00 C ATOM 1248 SD MET A 80 -5.363 -5.905 8.116 1.00 0.00 S ATOM 1249 CE MET A 80 -6.791 -6.972 8.205 1.00 0.00 C ATOM 0 H MET A 80 -3.168 -6.068 3.757 1.00 0.00 H new ATOM 0 HA MET A 80 -3.121 -8.516 5.405 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.163 -6.257 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.629 -7.885 5.831 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.127 -7.910 7.720 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.259 -6.498 7.151 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.482 -6.593 8.958 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.288 -6.996 7.235 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.476 -7.980 8.476 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.138 -9.717 3.539 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.694 -10.470 2.428 1.00 0.00 C ATOM 1261 C GLY A 81 -3.877 -11.735 2.159 1.00 0.00 C ATOM 1262 O GLY A 81 -3.108 -12.175 3.013 1.00 0.00 O ATOM 0 H GLY A 81 -3.589 -10.271 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.727 -10.740 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.711 -9.847 1.534 1.00 0.00 H new ATOM 1266 N THR A 82 -4.072 -12.285 0.970 1.00 0.00 N ATOM 1267 CA THR A 82 -3.363 -13.491 0.578 1.00 0.00 C ATOM 1268 C THR A 82 -3.617 -13.803 -0.898 1.00 0.00 C ATOM 1269 O THR A 82 -4.637 -13.401 -1.455 1.00 0.00 O ATOM 1270 CB THR A 82 -3.791 -14.619 1.519 1.00 0.00 C ATOM 1271 OG1 THR A 82 -3.041 -15.746 1.074 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.248 -15.034 1.311 1.00 0.00 C ATOM 0 H THR A 82 -4.711 -11.918 0.265 1.00 0.00 H new ATOM 0 HA THR A 82 -2.285 -13.363 0.670 1.00 0.00 H new ATOM 0 HB THR A 82 -3.648 -14.303 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.256 -16.523 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.500 -15.837 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.899 -14.179 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.385 -15.382 0.287 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.670 -14.517 -1.491 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.779 -14.887 -2.892 1.00 0.00 C ATOM 1282 C ARG A 83 -3.800 -16.013 -3.065 1.00 0.00 C ATOM 1283 O ARG A 83 -4.263 -16.593 -2.084 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.428 -15.344 -3.447 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.992 -16.664 -2.810 1.00 0.00 C ATOM 1286 CD ARG A 83 -0.021 -16.421 -1.652 1.00 0.00 C ATOM 1287 NE ARG A 83 0.903 -17.569 -1.516 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.055 -17.529 -0.834 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.433 -16.399 -0.222 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.831 -18.620 -0.764 1.00 0.00 N ATOM 0 H ARG A 83 -1.825 -14.849 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.107 -14.006 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.497 -15.463 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.675 -14.579 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.867 -17.204 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.517 -17.295 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.546 -15.507 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.576 -16.279 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 83 0.646 -18.446 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.843 -15.568 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.310 -16.369 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.544 -19.481 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.708 -18.589 -0.245 1.00 0.00 H new