USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=12 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 -81:sc= 0.409 USER MOD Set 1.2: A 48 GLN : amide:sc= -3.04 K(o=-5.9,f=-9!) USER MOD Set 1.3: A 79 MET CE :methyl -152:sc= -3.27 (180deg=-5.19!) USER MOD Set 2.1: A 35 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.2!) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 40:sc= 0.848 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 107:sc= 0.366 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 34 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+ 180:sc= 0 (180deg=0) 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+ 161:sc=-0.00548 (180deg=-0.0996) USER MOD Single : A 62 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -5.11! C(o=-5.1!,f=-7.3!) USER MOD Single : A 75 THR OG1 : rot 144:sc= -0.405 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 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 9.152 9.677 -2.970 1.00 0.00 N ATOM 67 CA LEU A 8 8.300 9.345 -1.841 1.00 0.00 C ATOM 68 C LEU A 8 8.263 7.826 -1.664 1.00 0.00 C ATOM 69 O LEU A 8 7.504 7.137 -2.343 1.00 0.00 O ATOM 70 CB LEU A 8 6.917 9.978 -2.009 1.00 0.00 C ATOM 71 CG LEU A 8 5.978 9.867 -0.806 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.482 11.247 -0.368 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.822 8.909 -1.099 1.00 0.00 C ATOM 0 HA LEU A 8 8.708 9.764 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.049 11.034 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.430 9.517 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 8 6.540 9.447 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.816 11.139 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.333 11.868 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.942 11.717 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.170 8.848 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.253 9.276 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.218 7.919 -1.325 1.00 0.00 H new ATOM 85 N PRO A 9 9.115 7.336 -0.725 1.00 0.00 N ATOM 86 CA PRO A 9 9.187 5.911 -0.450 1.00 0.00 C ATOM 87 C PRO A 9 7.974 5.446 0.358 1.00 0.00 C ATOM 88 O PRO A 9 7.477 6.176 1.214 1.00 0.00 O ATOM 89 CB PRO A 9 10.502 5.718 0.289 1.00 0.00 C ATOM 90 CG PRO A 9 10.893 7.092 0.808 1.00 0.00 C ATOM 91 CD PRO A 9 10.029 8.122 0.099 1.00 0.00 C ATOM 0 HA PRO A 9 9.163 5.307 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.389 5.008 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.268 5.319 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.746 7.148 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.949 7.285 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.486 8.741 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.633 8.794 -0.511 1.00 0.00 H new ATOM 99 N ILE A 10 7.532 4.234 0.056 1.00 0.00 N ATOM 100 CA ILE A 10 6.386 3.663 0.744 1.00 0.00 C ATOM 101 C ILE A 10 6.664 2.191 1.055 1.00 0.00 C ATOM 102 O ILE A 10 6.721 1.361 0.149 1.00 0.00 O ATOM 103 CB ILE A 10 5.108 3.889 -0.066 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.852 5.382 -0.282 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.913 3.192 0.588 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.606 5.607 -1.141 1.00 0.00 C ATOM 0 H ILE A 10 7.946 3.632 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 10 6.225 4.166 1.698 1.00 0.00 H new ATOM 0 HB ILE A 10 5.244 3.440 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.728 5.876 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.717 5.837 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.018 3.369 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.104 2.120 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.765 3.590 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.447 6.677 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.743 5.132 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.738 5.173 -0.644 1.00 0.00 H new ATOM 118 N ILE A 11 6.831 1.912 2.339 1.00 0.00 N ATOM 119 CA ILE A 11 7.102 0.555 2.781 1.00 0.00 C ATOM 120 C ILE A 11 5.782 -0.207 2.916 1.00 0.00 C ATOM 121 O ILE A 11 4.788 0.346 3.383 1.00 0.00 O ATOM 122 CB ILE A 11 7.940 0.565 4.062 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.346 1.105 3.793 1.00 0.00 C ATOM 124 CG2 ILE A 11 7.971 -0.821 4.707 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.020 1.551 5.092 1.00 0.00 C ATOM 0 H ILE A 11 6.784 2.603 3.088 1.00 0.00 H new ATOM 0 HA ILE A 11 7.701 0.026 2.040 1.00 0.00 H new ATOM 0 HB ILE A 11 7.467 1.241 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.949 0.335 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.290 1.945 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.573 -0.786 5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.956 -1.129 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.407 -1.537 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.018 1.930 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.427 2.338 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.096 0.703 5.772 1.00 0.00 H new ATOM 137 N VAL A 12 5.815 -1.463 2.498 1.00 0.00 N ATOM 138 CA VAL A 12 4.634 -2.306 2.566 1.00 0.00 C ATOM 139 C VAL A 12 4.980 -3.604 3.299 1.00 0.00 C ATOM 140 O VAL A 12 5.590 -4.503 2.722 1.00 0.00 O ATOM 141 CB VAL A 12 4.078 -2.543 1.160 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.787 -3.363 1.212 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.857 -1.218 0.428 1.00 0.00 C ATOM 0 H VAL A 12 6.642 -1.918 2.111 1.00 0.00 H new ATOM 0 HA VAL A 12 3.845 -1.813 3.134 1.00 0.00 H new ATOM 0 HB VAL A 12 4.816 -3.116 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.413 -3.517 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.988 -4.329 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.039 -2.828 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.462 -1.414 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.147 -0.608 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.805 -0.686 0.344 1.00 0.00 H new ATOM 153 N LYS A 13 4.575 -3.661 4.559 1.00 0.00 N ATOM 154 CA LYS A 13 4.835 -4.833 5.376 1.00 0.00 C ATOM 155 C LYS A 13 3.775 -5.898 5.085 1.00 0.00 C ATOM 156 O LYS A 13 2.578 -5.621 5.149 1.00 0.00 O ATOM 157 CB LYS A 13 4.928 -4.447 6.854 1.00 0.00 C ATOM 158 CG LYS A 13 6.310 -4.778 7.421 1.00 0.00 C ATOM 159 CD LYS A 13 6.296 -4.754 8.951 1.00 0.00 C ATOM 160 CE LYS A 13 7.395 -5.650 9.524 1.00 0.00 C ATOM 161 NZ LYS A 13 8.247 -4.889 10.464 1.00 0.00 N ATOM 0 H LYS A 13 4.068 -2.914 5.034 1.00 0.00 H new ATOM 0 HA LYS A 13 5.802 -5.267 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.730 -3.381 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.162 -4.976 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.624 -5.762 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.041 -4.060 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.435 -3.732 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.324 -5.087 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.948 -6.501 10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.005 -6.051 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.988 -5.512 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.689 -4.091 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.664 -4.528 11.246 1.00 0.00 H new ATOM 175 N TRP A 14 4.253 -7.093 4.771 1.00 0.00 N ATOM 176 CA TRP A 14 3.361 -8.200 4.470 1.00 0.00 C ATOM 177 C TRP A 14 3.895 -9.444 5.182 1.00 0.00 C ATOM 178 O TRP A 14 5.019 -9.874 4.929 1.00 0.00 O ATOM 179 CB TRP A 14 3.216 -8.391 2.959 1.00 0.00 C ATOM 180 CG TRP A 14 2.312 -9.561 2.564 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.200 -9.987 3.178 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.489 -10.441 1.434 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.649 -11.074 2.529 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.459 -11.359 1.435 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.488 -10.462 0.445 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.326 -12.364 0.470 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.341 -11.472 -0.513 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.310 -12.404 -0.526 1.00 0.00 C ATOM 0 H TRP A 14 5.246 -7.319 4.718 1.00 0.00 H new ATOM 0 HA TRP A 14 2.355 -7.996 4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.818 -7.474 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.204 -8.546 2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.787 -9.537 4.068 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.196 -11.576 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.304 -9.755 0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.509 -13.070 0.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.081 -11.531 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.268 -13.156 -1.300 1.00 0.00 H new ATOM 199 N GLY A 15 3.064 -9.988 6.059 1.00 0.00 N ATOM 200 CA GLY A 15 3.438 -11.174 6.809 1.00 0.00 C ATOM 201 C GLY A 15 4.732 -10.942 7.592 1.00 0.00 C ATOM 202 O GLY A 15 4.719 -10.307 8.645 1.00 0.00 O ATOM 0 H GLY A 15 2.132 -9.629 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.636 -11.442 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.567 -12.014 6.127 1.00 0.00 H new ATOM 206 N GLY A 16 5.818 -11.470 7.048 1.00 0.00 N ATOM 207 CA GLY A 16 7.118 -11.328 7.682 1.00 0.00 C ATOM 208 C GLY A 16 8.098 -10.594 6.766 1.00 0.00 C ATOM 209 O GLY A 16 9.243 -10.348 7.145 1.00 0.00 O ATOM 0 H GLY A 16 5.825 -11.997 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.012 -10.781 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.515 -12.312 7.930 1.00 0.00 H new ATOM 213 N GLN A 17 7.614 -10.265 5.577 1.00 0.00 N ATOM 214 CA GLN A 17 8.434 -9.564 4.603 1.00 0.00 C ATOM 215 C GLN A 17 7.726 -8.292 4.131 1.00 0.00 C ATOM 216 O GLN A 17 6.514 -8.292 3.925 1.00 0.00 O ATOM 217 CB GLN A 17 8.777 -10.471 3.421 1.00 0.00 C ATOM 218 CG GLN A 17 9.751 -11.574 3.841 1.00 0.00 C ATOM 219 CD GLN A 17 9.449 -12.882 3.106 1.00 0.00 C ATOM 220 OE1 GLN A 17 8.552 -13.629 3.459 1.00 0.00 O ATOM 221 NE2 GLN A 17 10.246 -13.115 2.067 1.00 0.00 N ATOM 0 H GLN A 17 6.665 -10.471 5.266 1.00 0.00 H new ATOM 0 HA GLN A 17 9.370 -9.279 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.865 -10.918 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.217 -9.878 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.773 -11.261 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.683 -11.733 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.978 -12.447 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.125 -13.962 1.511 1.00 0.00 H new ATOM 230 N GLU A 18 8.514 -7.239 3.973 1.00 0.00 N ATOM 231 CA GLU A 18 7.978 -5.963 3.529 1.00 0.00 C ATOM 232 C GLU A 18 8.653 -5.528 2.227 1.00 0.00 C ATOM 233 O GLU A 18 9.722 -6.028 1.881 1.00 0.00 O ATOM 234 CB GLU A 18 8.136 -4.895 4.612 1.00 0.00 C ATOM 235 CG GLU A 18 9.573 -4.371 4.660 1.00 0.00 C ATOM 236 CD GLU A 18 9.775 -3.430 5.850 1.00 0.00 C ATOM 237 OE1 GLU A 18 8.768 -2.818 6.266 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.932 -3.345 6.315 1.00 0.00 O ATOM 0 H GLU A 18 9.519 -7.243 4.144 1.00 0.00 H new ATOM 0 HA GLU A 18 6.912 -6.085 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.451 -4.070 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.865 -5.312 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.267 -5.208 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.803 -3.845 3.733 1.00 0.00 H new ATOM 245 N TYR A 19 8.001 -4.602 1.540 1.00 0.00 N ATOM 246 CA TYR A 19 8.525 -4.094 0.284 1.00 0.00 C ATOM 247 C TYR A 19 8.771 -2.586 0.362 1.00 0.00 C ATOM 248 O TYR A 19 8.127 -1.888 1.144 1.00 0.00 O ATOM 249 CB TYR A 19 7.446 -4.369 -0.765 1.00 0.00 C ATOM 250 CG TYR A 19 7.275 -5.850 -1.109 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.881 -6.743 -0.133 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.515 -6.293 -2.394 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.720 -8.137 -0.456 1.00 0.00 C ATOM 254 CE2 TYR A 19 7.354 -7.687 -2.717 1.00 0.00 C ATOM 255 CZ TYR A 19 6.965 -8.540 -1.732 1.00 0.00 C ATOM 256 OH TYR A 19 6.813 -9.857 -2.037 1.00 0.00 O ATOM 0 H TYR A 19 7.114 -4.190 1.830 1.00 0.00 H new ATOM 0 HA TYR A 19 9.474 -4.572 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.495 -3.978 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.691 -3.821 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.694 -6.396 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.824 -5.594 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.412 -8.846 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.538 -8.047 -3.719 1.00 0.00 H new ATOM 0 HH TYR A 19 7.021 -10.000 -2.984 1.00 0.00 H new ATOM 266 N SER A 20 9.703 -2.127 -0.460 1.00 0.00 N ATOM 267 CA SER A 20 10.042 -0.714 -0.494 1.00 0.00 C ATOM 268 C SER A 20 9.577 -0.096 -1.814 1.00 0.00 C ATOM 269 O SER A 20 10.308 -0.114 -2.803 1.00 0.00 O ATOM 270 CB SER A 20 11.546 -0.504 -0.311 1.00 0.00 C ATOM 271 OG SER A 20 12.302 -1.123 -1.348 1.00 0.00 O ATOM 0 H SER A 20 10.234 -2.709 -1.108 1.00 0.00 H new ATOM 0 HA SER A 20 9.530 -0.220 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.763 0.564 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.854 -0.909 0.653 1.00 0.00 H new ATOM 0 HG SER A 20 11.848 -0.993 -2.206 1.00 0.00 H new ATOM 277 N VAL A 21 8.364 0.436 -1.786 1.00 0.00 N ATOM 278 CA VAL A 21 7.792 1.058 -2.969 1.00 0.00 C ATOM 279 C VAL A 21 8.447 2.424 -3.188 1.00 0.00 C ATOM 280 O VAL A 21 8.273 3.336 -2.382 1.00 0.00 O ATOM 281 CB VAL A 21 6.271 1.140 -2.833 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.656 1.901 -4.010 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.656 -0.255 -2.701 1.00 0.00 C ATOM 0 H VAL A 21 7.761 0.449 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 21 7.994 0.454 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 21 6.045 1.693 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.574 1.945 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.059 2.913 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.896 1.387 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.574 -0.168 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.896 -0.844 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.060 -0.748 -1.817 1.00 0.00 H new ATOM 293 N THR A 22 9.188 2.520 -4.282 1.00 0.00 N ATOM 294 CA THR A 22 9.870 3.759 -4.617 1.00 0.00 C ATOM 295 C THR A 22 9.885 3.965 -6.133 1.00 0.00 C ATOM 296 O THR A 22 10.871 4.450 -6.687 1.00 0.00 O ATOM 297 CB THR A 22 11.267 3.712 -3.996 1.00 0.00 C ATOM 298 OG1 THR A 22 11.839 2.515 -4.517 1.00 0.00 O ATOM 299 CG2 THR A 22 11.229 3.480 -2.484 1.00 0.00 C ATOM 0 H THR A 22 9.331 1.761 -4.948 1.00 0.00 H new ATOM 0 HA THR A 22 9.346 4.623 -4.208 1.00 0.00 H new ATOM 0 HB THR A 22 11.789 4.646 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.748 2.407 -4.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.247 3.455 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.677 4.289 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.737 2.530 -2.274 1.00 0.00 H new ATOM 307 N THR A 23 8.782 3.587 -6.761 1.00 0.00 N ATOM 308 CA THR A 23 8.656 3.725 -8.202 1.00 0.00 C ATOM 309 C THR A 23 7.670 4.843 -8.547 1.00 0.00 C ATOM 310 O THR A 23 7.919 5.638 -9.452 1.00 0.00 O ATOM 311 CB THR A 23 8.255 2.364 -8.774 1.00 0.00 C ATOM 312 OG1 THR A 23 9.420 1.560 -8.605 1.00 0.00 O ATOM 313 CG2 THR A 23 8.048 2.404 -10.290 1.00 0.00 C ATOM 0 H THR A 23 7.967 3.185 -6.298 1.00 0.00 H new ATOM 0 HA THR A 23 9.603 4.018 -8.655 1.00 0.00 H new ATOM 0 HB THR A 23 7.339 2.023 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.248 0.658 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.765 1.413 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.258 3.115 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.974 2.712 -10.776 1.00 0.00 H new ATOM 321 N LEU A 24 6.571 4.868 -7.807 1.00 0.00 N ATOM 322 CA LEU A 24 5.546 5.875 -8.023 1.00 0.00 C ATOM 323 C LEU A 24 5.833 7.087 -7.134 1.00 0.00 C ATOM 324 O LEU A 24 6.615 6.997 -6.190 1.00 0.00 O ATOM 325 CB LEU A 24 4.153 5.276 -7.815 1.00 0.00 C ATOM 326 CG LEU A 24 3.999 4.337 -6.617 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.616 4.482 -5.981 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.299 2.890 -7.013 1.00 0.00 C ATOM 0 H LEU A 24 6.368 4.207 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 24 5.566 6.224 -9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.440 6.093 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.875 4.731 -8.717 1.00 0.00 H new ATOM 0 HG LEU A 24 4.732 4.623 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.533 3.804 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.478 5.508 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.850 4.238 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.182 2.243 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.607 2.576 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.322 2.819 -7.384 1.00 0.00 H new ATOM 340 N SER A 25 5.183 8.193 -7.469 1.00 0.00 N ATOM 341 CA SER A 25 5.359 9.421 -6.713 1.00 0.00 C ATOM 342 C SER A 25 3.995 10.002 -6.334 1.00 0.00 C ATOM 343 O SER A 25 2.960 9.396 -6.609 1.00 0.00 O ATOM 344 CB SER A 25 6.170 10.446 -7.508 1.00 0.00 C ATOM 345 OG SER A 25 5.502 10.845 -8.702 1.00 0.00 O ATOM 0 H SER A 25 4.534 8.264 -8.253 1.00 0.00 H new ATOM 0 HA SER A 25 5.913 9.186 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.356 11.322 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.142 10.022 -7.761 1.00 0.00 H new ATOM 0 HG SER A 25 5.159 11.757 -8.596 1.00 0.00 H new ATOM 351 N GLU A 26 4.037 11.169 -5.709 1.00 0.00 N ATOM 352 CA GLU A 26 2.818 11.838 -5.289 1.00 0.00 C ATOM 353 C GLU A 26 1.798 11.848 -6.430 1.00 0.00 C ATOM 354 O GLU A 26 0.607 11.640 -6.205 1.00 0.00 O ATOM 355 CB GLU A 26 3.111 13.259 -4.804 1.00 0.00 C ATOM 356 CG GLU A 26 4.068 13.244 -3.610 1.00 0.00 C ATOM 357 CD GLU A 26 5.089 14.380 -3.712 1.00 0.00 C ATOM 358 OE1 GLU A 26 6.148 14.137 -4.330 1.00 0.00 O ATOM 359 OE2 GLU A 26 4.787 15.465 -3.170 1.00 0.00 O ATOM 0 H GLU A 26 4.897 11.669 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 26 2.393 11.284 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.546 13.842 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.180 13.750 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.501 13.341 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.587 12.286 -3.567 1.00 0.00 H new ATOM 366 N ASP A 27 2.304 12.092 -7.631 1.00 0.00 N ATOM 367 CA ASP A 27 1.452 12.131 -8.807 1.00 0.00 C ATOM 368 C ASP A 27 0.552 10.895 -8.821 1.00 0.00 C ATOM 369 O ASP A 27 -0.665 11.007 -8.682 1.00 0.00 O ATOM 370 CB ASP A 27 2.285 12.124 -10.091 1.00 0.00 C ATOM 371 CG ASP A 27 3.266 13.290 -10.232 1.00 0.00 C ATOM 372 OD1 ASP A 27 4.150 13.398 -9.355 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.109 14.048 -11.213 1.00 0.00 O ATOM 0 H ASP A 27 3.292 12.264 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 27 0.861 13.046 -8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.845 11.190 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.608 12.133 -10.945 1.00 0.00 H new ATOM 378 N ASP A 28 1.184 9.743 -8.991 1.00 0.00 N ATOM 379 CA ASP A 28 0.455 8.487 -9.025 1.00 0.00 C ATOM 380 C ASP A 28 -0.564 8.462 -7.884 1.00 0.00 C ATOM 381 O ASP A 28 -0.417 9.185 -6.900 1.00 0.00 O ATOM 382 CB ASP A 28 1.399 7.297 -8.841 1.00 0.00 C ATOM 383 CG ASP A 28 2.385 7.070 -9.989 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.209 7.982 -10.218 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.293 5.990 -10.611 1.00 0.00 O ATOM 0 H ASP A 28 2.193 9.653 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.038 8.410 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.964 7.440 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.801 6.395 -8.712 1.00 0.00 H new ATOM 390 N THR A 29 -1.575 7.623 -8.055 1.00 0.00 N ATOM 391 CA THR A 29 -2.619 7.495 -7.052 1.00 0.00 C ATOM 392 C THR A 29 -2.457 6.185 -6.279 1.00 0.00 C ATOM 393 O THR A 29 -1.525 5.423 -6.530 1.00 0.00 O ATOM 394 CB THR A 29 -3.971 7.622 -7.757 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.868 6.734 -8.867 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.171 8.997 -8.397 1.00 0.00 C ATOM 0 H THR A 29 -1.694 7.025 -8.873 1.00 0.00 H new ATOM 0 HA THR A 29 -2.550 8.287 -6.306 1.00 0.00 H new ATOM 0 HB THR A 29 -4.772 7.435 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.703 6.752 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.146 9.034 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.120 9.767 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.390 9.171 -9.137 1.00 0.00 H new ATOM 404 N VAL A 30 -3.380 5.964 -5.354 1.00 0.00 N ATOM 405 CA VAL A 30 -3.351 4.759 -4.542 1.00 0.00 C ATOM 406 C VAL A 30 -3.454 3.533 -5.452 1.00 0.00 C ATOM 407 O VAL A 30 -2.692 2.579 -5.303 1.00 0.00 O ATOM 408 CB VAL A 30 -4.457 4.813 -3.486 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.597 3.469 -2.769 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.206 5.944 -2.487 1.00 0.00 C ATOM 0 H VAL A 30 -4.152 6.598 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.407 4.685 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.398 5.019 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.390 3.535 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.844 2.694 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.657 3.219 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.006 5.960 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.252 5.782 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.181 6.897 -3.015 1.00 0.00 H new ATOM 420 N LEU A 31 -4.402 3.599 -6.376 1.00 0.00 N ATOM 421 CA LEU A 31 -4.613 2.507 -7.310 1.00 0.00 C ATOM 422 C LEU A 31 -3.262 2.031 -7.847 1.00 0.00 C ATOM 423 O LEU A 31 -2.934 0.849 -7.755 1.00 0.00 O ATOM 424 CB LEU A 31 -5.598 2.922 -8.405 1.00 0.00 C ATOM 425 CG LEU A 31 -6.047 1.813 -9.359 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.127 0.940 -8.716 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.501 2.393 -10.699 1.00 0.00 C ATOM 0 H LEU A 31 -5.032 4.392 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.072 1.657 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.483 3.345 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.142 3.718 -8.994 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.191 1.169 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.428 0.160 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.732 0.482 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.991 1.556 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.815 1.584 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.337 3.073 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.675 2.936 -11.159 1.00 0.00 H new ATOM 439 N ASP A 32 -2.513 2.977 -8.395 1.00 0.00 N ATOM 440 CA ASP A 32 -1.204 2.669 -8.947 1.00 0.00 C ATOM 441 C ASP A 32 -0.438 1.780 -7.965 1.00 0.00 C ATOM 442 O ASP A 32 0.008 0.692 -8.327 1.00 0.00 O ATOM 443 CB ASP A 32 -0.387 3.943 -9.168 1.00 0.00 C ATOM 444 CG ASP A 32 -0.759 4.742 -10.418 1.00 0.00 C ATOM 445 OD1 ASP A 32 -1.221 4.099 -11.386 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.574 5.977 -10.378 1.00 0.00 O ATOM 0 H ASP A 32 -2.787 3.957 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.350 2.164 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.503 4.587 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.668 3.674 -9.228 1.00 0.00 H new ATOM 451 N LEU A 33 -0.310 2.275 -6.743 1.00 0.00 N ATOM 452 CA LEU A 33 0.394 1.539 -5.707 1.00 0.00 C ATOM 453 C LEU A 33 -0.155 0.113 -5.639 1.00 0.00 C ATOM 454 O LEU A 33 0.589 -0.851 -5.813 1.00 0.00 O ATOM 455 CB LEU A 33 0.325 2.290 -4.376 1.00 0.00 C ATOM 456 CG LEU A 33 1.234 1.765 -3.262 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.705 2.041 -3.581 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.824 2.339 -1.904 1.00 0.00 C ATOM 0 H LEU A 33 -0.682 3.177 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 33 1.454 1.461 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.573 3.336 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.705 2.264 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 33 1.114 0.683 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.330 1.658 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.974 1.546 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.860 3.115 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.486 1.950 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.897 3.426 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.203 2.050 -1.682 1.00 0.00 H new ATOM 470 N LYS A 34 -1.452 0.023 -5.384 1.00 0.00 N ATOM 471 CA LYS A 34 -2.109 -1.269 -5.291 1.00 0.00 C ATOM 472 C LYS A 34 -1.771 -2.099 -6.531 1.00 0.00 C ATOM 473 O LYS A 34 -1.126 -3.142 -6.427 1.00 0.00 O ATOM 474 CB LYS A 34 -3.611 -1.092 -5.060 1.00 0.00 C ATOM 475 CG LYS A 34 -3.880 -0.321 -3.766 1.00 0.00 C ATOM 476 CD LYS A 34 -5.332 0.155 -3.703 1.00 0.00 C ATOM 477 CE LYS A 34 -5.793 0.320 -2.253 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.190 -0.143 -2.098 1.00 0.00 N ATOM 0 H LYS A 34 -2.066 0.825 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.741 -1.822 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.052 -0.560 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.093 -2.069 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.665 -0.958 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.210 0.536 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.430 1.104 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.976 -0.561 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.140 -0.248 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.715 1.366 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.487 -0.024 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.812 0.417 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.254 -1.147 -2.361 1.00 0.00 H new ATOM 492 N GLN A 35 -2.221 -1.606 -7.675 1.00 0.00 N ATOM 493 CA GLN A 35 -1.975 -2.289 -8.933 1.00 0.00 C ATOM 494 C GLN A 35 -0.543 -2.826 -8.974 1.00 0.00 C ATOM 495 O GLN A 35 -0.305 -3.933 -9.456 1.00 0.00 O ATOM 496 CB GLN A 35 -2.248 -1.364 -10.121 1.00 0.00 C ATOM 497 CG GLN A 35 -3.748 -1.265 -10.406 1.00 0.00 C ATOM 498 CD GLN A 35 -4.331 -2.635 -10.758 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.625 -3.618 -10.913 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.655 -2.646 -10.875 1.00 0.00 N ATOM 0 H GLN A 35 -2.755 -0.741 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.661 -3.133 -9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.847 -0.372 -9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.730 -1.738 -11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.262 -0.861 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.921 -0.570 -11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.187 -1.787 -10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.139 -3.513 -11.108 1.00 0.00 H new ATOM 509 N PHE A 36 0.373 -2.018 -8.462 1.00 0.00 N ATOM 510 CA PHE A 36 1.775 -2.398 -8.434 1.00 0.00 C ATOM 511 C PHE A 36 2.042 -3.427 -7.333 1.00 0.00 C ATOM 512 O PHE A 36 2.835 -4.349 -7.520 1.00 0.00 O ATOM 513 CB PHE A 36 2.577 -1.130 -8.134 1.00 0.00 C ATOM 514 CG PHE A 36 4.079 -1.267 -8.393 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.523 -1.726 -9.594 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.970 -0.931 -7.422 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.916 -1.854 -9.834 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.363 -1.059 -7.662 1.00 0.00 C ATOM 519 CZ PHE A 36 6.807 -1.517 -8.863 1.00 0.00 C ATOM 0 H PHE A 36 0.172 -1.101 -8.063 1.00 0.00 H new ATOM 0 HA PHE A 36 2.059 -2.843 -9.388 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.187 -0.314 -8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.422 -0.853 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.815 -1.993 -10.365 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.618 -0.567 -6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.268 -2.219 -10.787 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.070 -0.793 -6.891 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.867 -1.613 -9.046 1.00 0.00 H new ATOM 529 N LEU A 37 1.365 -3.236 -6.211 1.00 0.00 N ATOM 530 CA LEU A 37 1.518 -4.136 -5.081 1.00 0.00 C ATOM 531 C LEU A 37 1.075 -5.542 -5.490 1.00 0.00 C ATOM 532 O LEU A 37 1.678 -6.531 -5.078 1.00 0.00 O ATOM 533 CB LEU A 37 0.781 -3.590 -3.857 1.00 0.00 C ATOM 534 CG LEU A 37 1.307 -2.270 -3.289 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.176 -1.452 -2.665 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.450 -2.515 -2.302 1.00 0.00 C ATOM 0 H LEU A 37 0.708 -2.470 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 37 2.566 -4.205 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.269 -3.457 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.820 -4.342 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 37 1.713 -1.682 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.577 -0.519 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.575 -1.231 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.282 -2.022 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.806 -1.561 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.093 -3.132 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.267 -3.027 -2.811 1.00 0.00 H new ATOM 548 N LYS A 38 0.024 -5.585 -6.296 1.00 0.00 N ATOM 549 CA LYS A 38 -0.507 -6.853 -6.766 1.00 0.00 C ATOM 550 C LYS A 38 0.566 -7.583 -7.576 1.00 0.00 C ATOM 551 O LYS A 38 0.576 -8.811 -7.635 1.00 0.00 O ATOM 552 CB LYS A 38 -1.814 -6.636 -7.531 1.00 0.00 C ATOM 553 CG LYS A 38 -2.296 -7.938 -8.174 1.00 0.00 C ATOM 554 CD LYS A 38 -3.363 -7.664 -9.236 1.00 0.00 C ATOM 555 CE LYS A 38 -2.875 -8.080 -10.625 1.00 0.00 C ATOM 556 NZ LYS A 38 -2.539 -6.889 -11.435 1.00 0.00 N ATOM 0 H LYS A 38 -0.474 -4.762 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.761 -7.495 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.578 -6.257 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.667 -5.879 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.452 -8.458 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.702 -8.598 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.275 -8.208 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.615 -6.604 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.999 -8.722 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.646 -8.663 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.210 -7.190 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.383 -6.291 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.788 -6.348 -10.962 1.00 0.00 H new ATOM 570 N THR A 39 1.444 -6.795 -8.179 1.00 0.00 N ATOM 571 CA THR A 39 2.520 -7.350 -8.983 1.00 0.00 C ATOM 572 C THR A 39 3.770 -7.562 -8.127 1.00 0.00 C ATOM 573 O THR A 39 4.620 -8.388 -8.457 1.00 0.00 O ATOM 574 CB THR A 39 2.749 -6.419 -10.175 1.00 0.00 C ATOM 575 OG1 THR A 39 1.663 -6.704 -11.052 1.00 0.00 O ATOM 576 CG2 THR A 39 3.991 -6.798 -10.984 1.00 0.00 C ATOM 0 H THR A 39 1.432 -5.776 -8.127 1.00 0.00 H new ATOM 0 HA THR A 39 2.258 -8.335 -9.369 1.00 0.00 H new ATOM 0 HB THR A 39 2.846 -5.393 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.732 -6.142 -11.852 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.107 -6.106 -11.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.872 -6.746 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.880 -7.812 -11.367 1.00 0.00 H new ATOM 584 N LEU A 40 3.844 -6.800 -7.046 1.00 0.00 N ATOM 585 CA LEU A 40 4.977 -6.893 -6.141 1.00 0.00 C ATOM 586 C LEU A 40 4.820 -8.134 -5.260 1.00 0.00 C ATOM 587 O LEU A 40 5.751 -8.927 -5.126 1.00 0.00 O ATOM 588 CB LEU A 40 5.139 -5.594 -5.349 1.00 0.00 C ATOM 589 CG LEU A 40 5.603 -4.375 -6.149 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.394 -3.085 -5.353 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.055 -4.538 -6.604 1.00 0.00 C ATOM 0 H LEU A 40 3.138 -6.115 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 40 5.903 -7.015 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.184 -5.355 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.853 -5.769 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 40 4.990 -4.303 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.732 -2.234 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.335 -2.968 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.966 -3.133 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.360 -3.658 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.699 -4.649 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.142 -5.423 -7.234 1.00 0.00 H new ATOM 603 N THR A 41 3.635 -8.264 -4.682 1.00 0.00 N ATOM 604 CA THR A 41 3.343 -9.395 -3.818 1.00 0.00 C ATOM 605 C THR A 41 2.761 -10.552 -4.632 1.00 0.00 C ATOM 606 O THR A 41 3.276 -11.668 -4.586 1.00 0.00 O ATOM 607 CB THR A 41 2.416 -8.911 -2.701 1.00 0.00 C ATOM 608 OG1 THR A 41 1.387 -8.203 -3.387 1.00 0.00 O ATOM 609 CG2 THR A 41 3.071 -7.849 -1.815 1.00 0.00 C ATOM 0 H THR A 41 2.865 -7.604 -4.795 1.00 0.00 H new ATOM 0 HA THR A 41 4.251 -9.786 -3.359 1.00 0.00 H new ATOM 0 HB THR A 41 2.113 -9.760 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.701 -7.301 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.371 -7.540 -1.039 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.966 -8.263 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.343 -6.986 -2.422 1.00 0.00 H new ATOM 617 N GLY A 42 1.696 -10.246 -5.357 1.00 0.00 N ATOM 618 CA GLY A 42 1.038 -11.247 -6.180 1.00 0.00 C ATOM 619 C GLY A 42 -0.387 -11.509 -5.690 1.00 0.00 C ATOM 620 O GLY A 42 -0.985 -12.530 -6.026 1.00 0.00 O ATOM 0 H GLY A 42 1.272 -9.319 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.014 -10.912 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.610 -12.174 -6.158 1.00 0.00 H new ATOM 624 N VAL A 43 -0.891 -10.569 -4.904 1.00 0.00 N ATOM 625 CA VAL A 43 -2.235 -10.686 -4.364 1.00 0.00 C ATOM 626 C VAL A 43 -3.121 -9.599 -4.974 1.00 0.00 C ATOM 627 O VAL A 43 -2.672 -8.473 -5.185 1.00 0.00 O ATOM 628 CB VAL A 43 -2.191 -10.634 -2.835 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.602 -10.664 -2.245 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.337 -11.772 -2.272 1.00 0.00 C ATOM 0 H VAL A 43 -0.393 -9.723 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.672 -11.649 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.726 -9.692 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.542 -10.626 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.166 -9.805 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.104 -11.582 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.322 -11.712 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.760 -12.729 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.320 -11.687 -2.654 1.00 0.00 H new ATOM 640 N LEU A 44 -4.364 -9.973 -5.240 1.00 0.00 N ATOM 641 CA LEU A 44 -5.317 -9.044 -5.822 1.00 0.00 C ATOM 642 C LEU A 44 -5.327 -7.751 -5.004 1.00 0.00 C ATOM 643 O LEU A 44 -5.015 -7.762 -3.814 1.00 0.00 O ATOM 644 CB LEU A 44 -6.694 -9.699 -5.952 1.00 0.00 C ATOM 645 CG LEU A 44 -6.758 -10.958 -6.819 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.101 -11.671 -6.651 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.462 -10.630 -8.284 1.00 0.00 C ATOM 0 H LEU A 44 -4.733 -10.907 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.019 -8.779 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.050 -9.951 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.387 -8.964 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.984 -11.646 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.121 -12.562 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.233 -11.958 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.908 -11.001 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.514 -11.542 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.197 -9.914 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.464 -10.200 -8.366 1.00 0.00 H new ATOM 659 N PRO A 45 -5.698 -6.638 -5.692 1.00 0.00 N ATOM 660 CA PRO A 45 -5.752 -5.339 -5.042 1.00 0.00 C ATOM 661 C PRO A 45 -6.980 -5.231 -4.136 1.00 0.00 C ATOM 662 O PRO A 45 -6.996 -4.433 -3.199 1.00 0.00 O ATOM 663 CB PRO A 45 -5.761 -4.330 -6.178 1.00 0.00 C ATOM 664 CG PRO A 45 -6.180 -5.103 -7.418 1.00 0.00 C ATOM 665 CD PRO A 45 -6.074 -6.586 -7.101 1.00 0.00 C ATOM 0 HA PRO A 45 -4.904 -5.164 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.456 -3.516 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.776 -3.883 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.200 -4.845 -7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.540 -4.846 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.020 -7.097 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.327 -7.073 -7.728 1.00 0.00 H new ATOM 673 N GLU A 46 -7.979 -6.044 -4.446 1.00 0.00 N ATOM 674 CA GLU A 46 -9.208 -6.049 -3.672 1.00 0.00 C ATOM 675 C GLU A 46 -8.993 -6.771 -2.340 1.00 0.00 C ATOM 676 O GLU A 46 -9.369 -6.261 -1.286 1.00 0.00 O ATOM 677 CB GLU A 46 -10.352 -6.687 -4.463 1.00 0.00 C ATOM 678 CG GLU A 46 -10.150 -8.198 -4.597 1.00 0.00 C ATOM 679 CD GLU A 46 -11.151 -8.799 -5.587 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.601 -8.038 -6.471 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.442 -10.005 -5.437 1.00 0.00 O ATOM 0 H GLU A 46 -7.962 -6.704 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.487 -5.016 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.300 -6.486 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.411 -6.235 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.133 -8.404 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.267 -8.672 -3.623 1.00 0.00 H new ATOM 688 N ARG A 47 -8.390 -7.947 -2.431 1.00 0.00 N ATOM 689 CA ARG A 47 -8.121 -8.745 -1.247 1.00 0.00 C ATOM 690 C ARG A 47 -7.125 -8.023 -0.337 1.00 0.00 C ATOM 691 O ARG A 47 -7.338 -7.929 0.871 1.00 0.00 O ATOM 692 CB ARG A 47 -7.557 -10.116 -1.622 1.00 0.00 C ATOM 693 CG ARG A 47 -8.396 -11.240 -1.011 1.00 0.00 C ATOM 694 CD ARG A 47 -7.986 -12.601 -1.576 1.00 0.00 C ATOM 695 NE ARG A 47 -8.994 -13.624 -1.217 1.00 0.00 N ATOM 696 CZ ARG A 47 -9.110 -14.811 -1.827 1.00 0.00 C ATOM 697 NH1 ARG A 47 -8.282 -15.133 -2.830 1.00 0.00 N ATOM 698 NH2 ARG A 47 -10.054 -15.677 -1.435 1.00 0.00 N ATOM 0 H ARG A 47 -8.080 -8.367 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.065 -8.886 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.537 -10.221 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.527 -10.197 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.275 -11.241 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.452 -11.061 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.889 -12.539 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.010 -12.887 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.641 -13.412 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.563 -14.474 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.371 -16.037 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.685 -15.433 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.142 -16.581 -1.900 1.00 0.00 H new ATOM 712 N GLN A 48 -6.058 -7.533 -0.951 1.00 0.00 N ATOM 713 CA GLN A 48 -5.029 -6.823 -0.211 1.00 0.00 C ATOM 714 C GLN A 48 -5.665 -5.866 0.798 1.00 0.00 C ATOM 715 O GLN A 48 -6.532 -5.069 0.442 1.00 0.00 O ATOM 716 CB GLN A 48 -4.089 -6.075 -1.160 1.00 0.00 C ATOM 717 CG GLN A 48 -2.966 -6.990 -1.653 1.00 0.00 C ATOM 718 CD GLN A 48 -1.851 -6.179 -2.317 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.688 -6.264 -1.957 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.269 -5.391 -3.304 1.00 0.00 N ATOM 0 H GLN A 48 -5.884 -7.614 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.434 -7.553 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.653 -5.695 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.662 -5.212 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.559 -7.557 -0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.367 -7.714 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.258 -5.368 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.601 -4.810 -3.810 1.00 0.00 H new ATOM 729 N LYS A 49 -5.210 -5.975 2.037 1.00 0.00 N ATOM 730 CA LYS A 49 -5.723 -5.129 3.101 1.00 0.00 C ATOM 731 C LYS A 49 -4.589 -4.262 3.650 1.00 0.00 C ATOM 732 O LYS A 49 -3.673 -4.768 4.297 1.00 0.00 O ATOM 733 CB LYS A 49 -6.423 -5.975 4.168 1.00 0.00 C ATOM 734 CG LYS A 49 -7.812 -5.418 4.484 1.00 0.00 C ATOM 735 CD LYS A 49 -7.743 -4.371 5.598 1.00 0.00 C ATOM 736 CE LYS A 49 -7.479 -2.977 5.024 1.00 0.00 C ATOM 737 NZ LYS A 49 -8.752 -2.321 4.651 1.00 0.00 N ATOM 0 H LYS A 49 -4.491 -6.637 2.328 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.484 -4.451 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.510 -7.005 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.820 -5.994 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.241 -4.972 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.474 -6.230 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.679 -4.367 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.953 -4.634 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.951 -2.369 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.833 -3.054 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.555 -1.376 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.241 -2.894 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.356 -2.231 5.493 1.00 0.00 H new ATOM 751 N LEU A 50 -4.687 -2.970 3.373 1.00 0.00 N ATOM 752 CA LEU A 50 -3.680 -2.028 3.831 1.00 0.00 C ATOM 753 C LEU A 50 -4.034 -1.556 5.243 1.00 0.00 C ATOM 754 O LEU A 50 -5.028 -0.858 5.437 1.00 0.00 O ATOM 755 CB LEU A 50 -3.517 -0.887 2.824 1.00 0.00 C ATOM 756 CG LEU A 50 -3.158 -1.299 1.396 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.611 -0.110 0.603 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.189 -2.483 1.394 1.00 0.00 C ATOM 0 H LEU A 50 -5.448 -2.553 2.837 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.705 -2.512 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.447 -0.320 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.744 -0.212 3.192 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.069 -1.628 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.364 -0.431 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.364 0.677 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.715 0.272 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.950 -2.756 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.274 -2.205 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.651 -3.332 1.897 1.00 0.00 H new ATOM 770 N LEU A 51 -3.202 -1.957 6.192 1.00 0.00 N ATOM 771 CA LEU A 51 -3.414 -1.585 7.580 1.00 0.00 C ATOM 772 C LEU A 51 -2.451 -0.456 7.954 1.00 0.00 C ATOM 773 O LEU A 51 -1.238 -0.657 7.988 1.00 0.00 O ATOM 774 CB LEU A 51 -3.305 -2.812 8.487 1.00 0.00 C ATOM 775 CG LEU A 51 -4.467 -3.034 9.458 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.768 -3.312 8.702 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.139 -4.142 10.461 1.00 0.00 C ATOM 0 H LEU A 51 -2.379 -2.536 6.027 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.425 -1.202 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.209 -3.697 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.385 -2.731 9.065 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.616 -2.117 10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.578 -3.466 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.005 -2.462 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.649 -4.206 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.981 -4.280 11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.948 -5.072 9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.254 -3.864 11.033 1.00 0.00 H new ATOM 789 N GLY A 52 -3.028 0.705 8.226 1.00 0.00 N ATOM 790 CA GLY A 52 -2.235 1.866 8.596 1.00 0.00 C ATOM 791 C GLY A 52 -2.730 3.120 7.874 1.00 0.00 C ATOM 792 O GLY A 52 -2.744 4.207 8.449 1.00 0.00 O ATOM 0 H GLY A 52 -4.035 0.867 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.287 2.018 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.188 1.689 8.349 1.00 0.00 H new ATOM 796 N LEU A 53 -3.123 2.928 6.623 1.00 0.00 N ATOM 797 CA LEU A 53 -3.616 4.030 5.816 1.00 0.00 C ATOM 798 C LEU A 53 -5.138 4.114 5.950 1.00 0.00 C ATOM 799 O LEU A 53 -5.858 3.259 5.437 1.00 0.00 O ATOM 800 CB LEU A 53 -3.134 3.894 4.370 1.00 0.00 C ATOM 801 CG LEU A 53 -1.634 3.655 4.184 1.00 0.00 C ATOM 802 CD1 LEU A 53 -1.375 2.323 3.477 1.00 0.00 C ATOM 803 CD2 LEU A 53 -0.978 4.828 3.453 1.00 0.00 C ATOM 0 H LEU A 53 -3.110 2.025 6.149 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.210 4.976 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.674 3.070 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.407 4.800 3.830 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.174 3.592 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.301 2.177 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.787 1.509 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.851 2.333 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.088 4.632 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.437 4.948 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.117 5.741 4.032 1.00 0.00 H new ATOM 815 N LYS A 54 -5.583 5.152 6.644 1.00 0.00 N ATOM 816 CA LYS A 54 -7.006 5.358 6.852 1.00 0.00 C ATOM 817 C LYS A 54 -7.326 6.848 6.715 1.00 0.00 C ATOM 818 O LYS A 54 -6.424 7.684 6.729 1.00 0.00 O ATOM 819 CB LYS A 54 -7.444 4.756 8.189 1.00 0.00 C ATOM 820 CG LYS A 54 -7.937 3.319 8.007 1.00 0.00 C ATOM 821 CD LYS A 54 -8.147 2.636 9.360 1.00 0.00 C ATOM 822 CE LYS A 54 -6.808 2.342 10.039 1.00 0.00 C ATOM 823 NZ LYS A 54 -7.025 1.728 11.368 1.00 0.00 N ATOM 0 H LYS A 54 -4.983 5.859 7.069 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.583 4.836 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.610 4.772 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.237 5.364 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.872 3.320 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.214 2.754 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.753 3.274 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.700 1.707 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.216 1.673 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.238 3.265 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.106 1.535 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.571 2.380 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.550 0.837 11.257 1.00 0.00 H new ATOM 837 N VAL A 55 -8.613 7.134 6.585 1.00 0.00 N ATOM 838 CA VAL A 55 -9.064 8.509 6.445 1.00 0.00 C ATOM 839 C VAL A 55 -10.288 8.732 7.335 1.00 0.00 C ATOM 840 O VAL A 55 -11.402 8.358 6.970 1.00 0.00 O ATOM 841 CB VAL A 55 -9.329 8.825 4.972 1.00 0.00 C ATOM 842 CG1 VAL A 55 -9.996 10.193 4.816 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.039 8.747 4.153 1.00 0.00 C ATOM 0 H VAL A 55 -9.358 6.437 6.574 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.290 9.201 6.777 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.016 8.072 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.173 10.393 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.946 10.198 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.345 10.964 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.256 8.976 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.318 9.467 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.623 7.742 4.225 1.00 0.00 H new ATOM 853 N LYS A 56 -10.041 9.341 8.485 1.00 0.00 N ATOM 854 CA LYS A 56 -11.109 9.620 9.430 1.00 0.00 C ATOM 855 C LYS A 56 -12.081 8.438 9.457 1.00 0.00 C ATOM 856 O LYS A 56 -13.291 8.621 9.336 1.00 0.00 O ATOM 857 CB LYS A 56 -11.777 10.957 9.104 1.00 0.00 C ATOM 858 CG LYS A 56 -12.486 10.901 7.750 1.00 0.00 C ATOM 859 CD LYS A 56 -13.031 12.276 7.359 1.00 0.00 C ATOM 860 CE LYS A 56 -12.305 12.825 6.129 1.00 0.00 C ATOM 861 NZ LYS A 56 -12.170 14.296 6.220 1.00 0.00 N ATOM 0 H LYS A 56 -9.116 9.649 8.784 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.708 9.728 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.495 11.208 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.028 11.749 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.792 10.550 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.303 10.181 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.099 12.202 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.914 12.968 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.319 12.368 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.855 12.560 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.675 14.652 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.114 14.728 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.626 14.543 7.071 1.00 0.00 H new ATOM 875 N GLY A 57 -11.514 7.251 9.616 1.00 0.00 N ATOM 876 CA GLY A 57 -12.315 6.039 9.660 1.00 0.00 C ATOM 877 C GLY A 57 -11.979 5.117 8.486 1.00 0.00 C ATOM 878 O GLY A 57 -11.148 4.219 8.615 1.00 0.00 O ATOM 0 H GLY A 57 -10.510 7.103 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.138 5.516 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.374 6.297 9.633 1.00 0.00 H new ATOM 882 N LYS A 58 -12.642 5.370 7.368 1.00 0.00 N ATOM 883 CA LYS A 58 -12.425 4.574 6.172 1.00 0.00 C ATOM 884 C LYS A 58 -11.178 5.082 5.446 1.00 0.00 C ATOM 885 O LYS A 58 -10.819 6.252 5.566 1.00 0.00 O ATOM 886 CB LYS A 58 -13.682 4.562 5.300 1.00 0.00 C ATOM 887 CG LYS A 58 -14.806 3.769 5.970 1.00 0.00 C ATOM 888 CD LYS A 58 -15.060 2.451 5.236 1.00 0.00 C ATOM 889 CE LYS A 58 -14.522 1.264 6.038 1.00 0.00 C ATOM 890 NZ LYS A 58 -15.361 1.025 7.234 1.00 0.00 N ATOM 0 H LYS A 58 -13.330 6.116 7.265 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.239 3.533 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.012 5.585 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.451 4.124 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.544 3.566 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.719 4.364 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.129 2.325 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.583 2.479 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.507 0.371 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.493 1.458 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.199 0.059 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.111 1.709 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.364 1.138 6.983 1.00 0.00 H new ATOM 904 N PRO A 59 -10.535 4.153 4.689 1.00 0.00 N ATOM 905 CA PRO A 59 -9.336 4.495 3.943 1.00 0.00 C ATOM 906 C PRO A 59 -9.678 5.320 2.701 1.00 0.00 C ATOM 907 O PRO A 59 -10.821 5.317 2.245 1.00 0.00 O ATOM 908 CB PRO A 59 -8.687 3.161 3.609 1.00 0.00 C ATOM 909 CG PRO A 59 -9.777 2.115 3.773 1.00 0.00 C ATOM 910 CD PRO A 59 -10.932 2.757 4.523 1.00 0.00 C ATOM 0 HA PRO A 59 -8.653 5.125 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.295 3.161 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.847 2.958 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.108 1.753 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.399 1.252 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.863 2.674 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.096 2.274 5.487 1.00 0.00 H new ATOM 918 N ALA A 60 -8.668 6.007 2.190 1.00 0.00 N ATOM 919 CA ALA A 60 -8.848 6.836 1.009 1.00 0.00 C ATOM 920 C ALA A 60 -9.231 5.949 -0.177 1.00 0.00 C ATOM 921 O ALA A 60 -8.993 4.743 -0.158 1.00 0.00 O ATOM 922 CB ALA A 60 -7.572 7.638 0.749 1.00 0.00 C ATOM 0 H ALA A 60 -7.722 6.007 2.571 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.657 7.551 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.707 8.259 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.360 8.273 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.739 6.954 0.589 1.00 0.00 H new ATOM 928 N GLU A 61 -9.819 6.582 -1.182 1.00 0.00 N ATOM 929 CA GLU A 61 -10.237 5.866 -2.375 1.00 0.00 C ATOM 930 C GLU A 61 -9.016 5.385 -3.162 1.00 0.00 C ATOM 931 O GLU A 61 -7.879 5.634 -2.763 1.00 0.00 O ATOM 932 CB GLU A 61 -11.144 6.736 -3.247 1.00 0.00 C ATOM 933 CG GLU A 61 -12.500 6.961 -2.575 1.00 0.00 C ATOM 934 CD GLU A 61 -13.560 6.020 -3.150 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.446 4.805 -2.881 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.461 6.538 -3.846 1.00 0.00 O ATOM 0 H GLU A 61 -10.016 7.583 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.813 4.993 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.663 7.696 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.289 6.259 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.409 6.799 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.812 7.996 -2.716 1.00 0.00 H new ATOM 943 N ASN A 62 -9.292 4.707 -4.265 1.00 0.00 N ATOM 944 CA ASN A 62 -8.230 4.190 -5.112 1.00 0.00 C ATOM 945 C ASN A 62 -7.752 5.295 -6.055 1.00 0.00 C ATOM 946 O ASN A 62 -6.553 5.439 -6.291 1.00 0.00 O ATOM 947 CB ASN A 62 -8.726 3.021 -5.966 1.00 0.00 C ATOM 948 CG ASN A 62 -9.091 1.819 -5.092 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.385 1.942 -3.914 1.00 0.00 O ATOM 950 ND2 ASN A 62 -9.057 0.655 -5.733 1.00 0.00 N ATOM 0 H ASN A 62 -10.236 4.503 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.421 3.847 -4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.596 3.332 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.954 2.735 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.286 -0.207 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.802 0.624 -6.720 1.00 0.00 H new ATOM 957 N ASP A 63 -8.713 6.048 -6.569 1.00 0.00 N ATOM 958 CA ASP A 63 -8.405 7.136 -7.481 1.00 0.00 C ATOM 959 C ASP A 63 -8.117 8.405 -6.675 1.00 0.00 C ATOM 960 O ASP A 63 -8.651 9.471 -6.977 1.00 0.00 O ATOM 961 CB ASP A 63 -9.584 7.425 -8.412 1.00 0.00 C ATOM 962 CG ASP A 63 -9.667 6.527 -9.648 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.599 6.297 -10.255 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.797 6.091 -9.958 1.00 0.00 O ATOM 0 H ASP A 63 -9.706 5.926 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.540 6.843 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.509 7.323 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.523 8.463 -8.739 1.00 0.00 H new ATOM 969 N VAL A 64 -7.272 8.248 -5.667 1.00 0.00 N ATOM 970 CA VAL A 64 -6.906 9.367 -4.816 1.00 0.00 C ATOM 971 C VAL A 64 -5.417 9.671 -4.992 1.00 0.00 C ATOM 972 O VAL A 64 -4.645 8.800 -5.389 1.00 0.00 O ATOM 973 CB VAL A 64 -7.287 9.068 -3.365 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.331 9.761 -2.392 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.738 9.468 -3.085 1.00 0.00 C ATOM 0 H VAL A 64 -6.830 7.362 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.457 10.262 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.200 7.992 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.625 9.532 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.315 9.407 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.371 10.839 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.983 9.245 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.862 10.536 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.403 8.909 -3.743 1.00 0.00 H new ATOM 985 N LYS A 65 -5.058 10.910 -4.688 1.00 0.00 N ATOM 986 CA LYS A 65 -3.675 11.339 -4.808 1.00 0.00 C ATOM 987 C LYS A 65 -2.945 11.067 -3.491 1.00 0.00 C ATOM 988 O LYS A 65 -3.294 11.632 -2.456 1.00 0.00 O ATOM 989 CB LYS A 65 -3.605 12.799 -5.259 1.00 0.00 C ATOM 990 CG LYS A 65 -3.347 12.896 -6.764 1.00 0.00 C ATOM 991 CD LYS A 65 -1.972 13.506 -7.047 1.00 0.00 C ATOM 992 CE LYS A 65 -2.085 14.689 -8.011 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.019 14.222 -9.414 1.00 0.00 N ATOM 0 H LYS A 65 -5.701 11.630 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.164 10.765 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.539 13.304 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.812 13.313 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.408 11.904 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.122 13.504 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.517 13.836 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.314 12.748 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.024 15.216 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.281 15.400 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.097 15.037 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.112 13.739 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.801 13.561 -9.597 1.00 0.00 H new ATOM 1007 N LEU A 66 -1.946 10.201 -3.574 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.164 9.847 -2.401 1.00 0.00 C ATOM 1009 C LEU A 66 -0.593 11.119 -1.771 1.00 0.00 C ATOM 1010 O LEU A 66 -0.368 11.171 -0.563 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.100 8.808 -2.761 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.617 7.498 -3.359 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.236 7.067 -4.554 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.704 6.405 -2.293 1.00 0.00 C ATOM 0 H LEU A 66 -1.660 9.734 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.797 9.375 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.594 9.259 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.470 8.574 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.628 7.667 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.153 6.133 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.202 7.839 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.267 6.921 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.074 5.485 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.285 6.229 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.385 6.721 -1.503 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.374 12.114 -2.618 1.00 0.00 N ATOM 1027 CA GLY A 67 0.166 13.382 -2.159 1.00 0.00 C ATOM 1028 C GLY A 67 -0.892 14.188 -1.403 1.00 0.00 C ATOM 1029 O GLY A 67 -0.600 14.787 -0.369 1.00 0.00 O ATOM 0 H GLY A 67 -0.561 12.068 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.023 13.203 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.526 13.958 -3.012 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.100 14.177 -1.949 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.203 14.899 -1.338 1.00 0.00 C ATOM 1035 C ALA A 68 -3.281 14.542 0.147 1.00 0.00 C ATOM 1036 O ALA A 68 -3.705 15.358 0.964 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.499 14.577 -2.085 1.00 0.00 C ATOM 0 H ALA A 68 -2.338 13.680 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.044 15.975 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.327 15.118 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.402 14.877 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.693 13.506 -2.032 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.867 13.321 0.452 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.885 12.845 1.825 1.00 0.00 C ATOM 1045 C LEU A 69 -1.667 13.399 2.568 1.00 0.00 C ATOM 1046 O LEU A 69 -1.744 13.694 3.759 1.00 0.00 O ATOM 1047 CB LEU A 69 -2.986 11.319 1.862 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.402 10.740 1.814 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.270 11.321 2.932 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.031 10.944 0.434 1.00 0.00 C ATOM 0 H LEU A 69 -2.517 12.647 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.770 13.212 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.421 10.917 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.500 10.964 2.771 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.338 9.665 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.271 10.893 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.827 11.081 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.331 12.403 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.037 10.524 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.082 12.010 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.423 10.444 -0.320 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.572 13.523 1.833 1.00 0.00 N ATOM 1063 CA LYS A 70 0.661 14.036 2.407 1.00 0.00 C ATOM 1064 C LYS A 70 0.998 13.243 3.671 1.00 0.00 C ATOM 1065 O LYS A 70 1.118 13.816 4.753 1.00 0.00 O ATOM 1066 CB LYS A 70 0.557 15.545 2.637 1.00 0.00 C ATOM 1067 CG LYS A 70 1.182 16.321 1.475 1.00 0.00 C ATOM 1068 CD LYS A 70 0.383 17.589 1.170 1.00 0.00 C ATOM 1069 CE LYS A 70 1.307 18.801 1.039 1.00 0.00 C ATOM 1070 NZ LYS A 70 1.741 19.270 2.374 1.00 0.00 N ATOM 0 H LYS A 70 -0.512 13.277 0.845 1.00 0.00 H new ATOM 0 HA LYS A 70 1.491 13.899 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.490 15.828 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.059 15.810 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.210 16.585 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.219 15.688 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.180 17.455 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.343 17.765 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.178 18.538 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.790 19.605 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.367 20.093 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.908 19.540 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.253 18.507 2.861 1.00 0.00 H new ATOM 1084 N LEU A 71 1.141 11.938 3.492 1.00 0.00 N ATOM 1085 CA LEU A 71 1.462 11.061 4.605 1.00 0.00 C ATOM 1086 C LEU A 71 2.930 11.251 4.992 1.00 0.00 C ATOM 1087 O LEU A 71 3.612 12.118 4.447 1.00 0.00 O ATOM 1088 CB LEU A 71 1.097 9.614 4.269 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.358 9.365 3.866 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.439 8.460 2.635 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.165 8.807 5.041 1.00 0.00 C ATOM 0 H LEU A 71 1.040 11.467 2.593 1.00 0.00 H new ATOM 0 HA LEU A 71 0.865 11.321 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.741 9.277 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.325 8.992 5.135 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.805 10.321 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.484 8.299 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.078 8.934 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.031 7.502 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.195 8.639 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.727 7.864 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.148 9.520 5.865 1.00 0.00 H new ATOM 1103 N LYS A 72 3.373 10.427 5.930 1.00 0.00 N ATOM 1104 CA LYS A 72 4.747 10.494 6.397 1.00 0.00 C ATOM 1105 C LYS A 72 5.649 9.734 5.422 1.00 0.00 C ATOM 1106 O LYS A 72 5.178 8.886 4.667 1.00 0.00 O ATOM 1107 CB LYS A 72 4.848 9.999 7.841 1.00 0.00 C ATOM 1108 CG LYS A 72 4.210 10.997 8.809 1.00 0.00 C ATOM 1109 CD LYS A 72 4.496 10.612 10.261 1.00 0.00 C ATOM 1110 CE LYS A 72 3.208 10.587 11.086 1.00 0.00 C ATOM 1111 NZ LYS A 72 2.820 9.194 11.399 1.00 0.00 N ATOM 0 H LYS A 72 2.804 9.709 6.379 1.00 0.00 H new ATOM 0 HA LYS A 72 5.093 11.527 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.354 9.032 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.895 9.849 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.595 11.997 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.133 11.032 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.972 9.632 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.198 11.322 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.350 11.147 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.407 11.079 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.944 9.195 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.664 8.670 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.579 8.736 11.944 1.00 0.00 H new ATOM 1125 N PRO A 73 6.965 10.076 5.471 1.00 0.00 N ATOM 1126 CA PRO A 73 7.937 9.436 4.601 1.00 0.00 C ATOM 1127 C PRO A 73 8.252 8.017 5.081 1.00 0.00 C ATOM 1128 O PRO A 73 8.175 7.730 6.275 1.00 0.00 O ATOM 1129 CB PRO A 73 9.149 10.353 4.624 1.00 0.00 C ATOM 1130 CG PRO A 73 8.990 11.224 5.860 1.00 0.00 C ATOM 1131 CD PRO A 73 7.559 11.076 6.352 1.00 0.00 C ATOM 0 HA PRO A 73 7.570 9.308 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.073 9.777 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.195 10.961 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.694 10.920 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.207 12.266 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.530 10.754 7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.021 12.022 6.296 1.00 0.00 H new ATOM 1139 N ASN A 74 8.599 7.167 4.126 1.00 0.00 N ATOM 1140 CA ASN A 74 8.926 5.786 4.436 1.00 0.00 C ATOM 1141 C ASN A 74 7.928 5.249 5.464 1.00 0.00 C ATOM 1142 O ASN A 74 8.314 4.562 6.409 1.00 0.00 O ATOM 1143 CB ASN A 74 10.329 5.673 5.035 1.00 0.00 C ATOM 1144 CG ASN A 74 10.614 6.835 5.988 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.913 7.946 5.582 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.506 6.518 7.275 1.00 0.00 N ATOM 0 H ASN A 74 8.661 7.408 3.137 1.00 0.00 H new ATOM 0 HA ASN A 74 8.883 5.213 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.425 4.728 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.070 5.664 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.677 7.225 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.252 5.568 7.547 1.00 0.00 H new ATOM 1153 N THR A 75 6.665 5.583 5.246 1.00 0.00 N ATOM 1154 CA THR A 75 5.609 5.143 6.142 1.00 0.00 C ATOM 1155 C THR A 75 5.412 3.630 6.032 1.00 0.00 C ATOM 1156 O THR A 75 4.891 3.139 5.032 1.00 0.00 O ATOM 1157 CB THR A 75 4.348 5.945 5.816 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.617 7.243 6.339 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.130 5.469 6.611 1.00 0.00 C ATOM 0 H THR A 75 6.349 6.153 4.462 1.00 0.00 H new ATOM 0 HA THR A 75 5.871 5.330 7.183 1.00 0.00 H new ATOM 0 HB THR A 75 4.137 5.872 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.227 7.921 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.262 6.071 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.931 4.422 6.380 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.328 5.574 7.678 1.00 0.00 H new ATOM 1167 N LYS A 76 5.840 2.932 7.074 1.00 0.00 N ATOM 1168 CA LYS A 76 5.717 1.485 7.107 1.00 0.00 C ATOM 1169 C LYS A 76 4.255 1.107 7.355 1.00 0.00 C ATOM 1170 O LYS A 76 3.767 1.204 8.479 1.00 0.00 O ATOM 1171 CB LYS A 76 6.688 0.888 8.128 1.00 0.00 C ATOM 1172 CG LYS A 76 8.125 1.325 7.839 1.00 0.00 C ATOM 1173 CD LYS A 76 8.924 1.478 9.135 1.00 0.00 C ATOM 1174 CE LYS A 76 9.606 0.163 9.517 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.137 0.236 10.897 1.00 0.00 N ATOM 0 H LYS A 76 6.272 3.342 7.902 1.00 0.00 H new ATOM 0 HA LYS A 76 5.999 1.057 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.404 1.202 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.623 -0.200 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.609 0.592 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.119 2.271 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.674 2.259 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.261 1.795 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.894 -0.659 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.417 -0.049 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.597 -0.665 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.831 1.008 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.356 0.416 11.560 1.00 0.00 H new ATOM 1189 N ILE A 77 3.598 0.683 6.285 1.00 0.00 N ATOM 1190 CA ILE A 77 2.202 0.290 6.372 1.00 0.00 C ATOM 1191 C ILE A 77 2.111 -1.235 6.463 1.00 0.00 C ATOM 1192 O ILE A 77 3.110 -1.932 6.289 1.00 0.00 O ATOM 1193 CB ILE A 77 1.405 0.885 5.210 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.685 0.130 3.909 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.674 2.385 5.072 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.754 -1.075 3.763 1.00 0.00 C ATOM 0 H ILE A 77 4.007 0.603 5.354 1.00 0.00 H new ATOM 0 HA ILE A 77 1.749 0.692 7.278 1.00 0.00 H new ATOM 0 HB ILE A 77 0.344 0.767 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.554 0.801 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.723 -0.204 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.095 2.783 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.383 2.893 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.736 2.549 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.974 -1.594 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.905 -1.755 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.282 -0.736 3.754 1.00 0.00 H new ATOM 1208 N MET A 78 0.904 -1.708 6.734 1.00 0.00 N ATOM 1209 CA MET A 78 0.669 -3.138 6.850 1.00 0.00 C ATOM 1210 C MET A 78 -0.118 -3.664 5.648 1.00 0.00 C ATOM 1211 O MET A 78 -0.938 -2.947 5.077 1.00 0.00 O ATOM 1212 CB MET A 78 -0.110 -3.425 8.136 1.00 0.00 C ATOM 1213 CG MET A 78 0.611 -4.466 8.993 1.00 0.00 C ATOM 1214 SD MET A 78 0.551 -3.990 10.712 1.00 0.00 S ATOM 1215 CE MET A 78 1.895 -2.816 10.756 1.00 0.00 C ATOM 0 H MET A 78 0.078 -1.127 6.877 1.00 0.00 H new ATOM 0 HA MET A 78 1.634 -3.644 6.878 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.233 -2.503 8.704 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.109 -3.782 7.888 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.146 -5.443 8.861 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.648 -4.561 8.669 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.997 -2.418 11.765 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.821 -3.312 10.466 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.688 -2.000 10.063 1.00 0.00 H new ATOM 1225 N MET A 79 0.161 -4.911 5.299 1.00 0.00 N ATOM 1226 CA MET A 79 -0.511 -5.541 4.175 1.00 0.00 C ATOM 1227 C MET A 79 -1.024 -6.932 4.553 1.00 0.00 C ATOM 1228 O MET A 79 -0.248 -7.794 4.964 1.00 0.00 O ATOM 1229 CB MET A 79 0.462 -5.657 2.999 1.00 0.00 C ATOM 1230 CG MET A 79 -0.293 -5.769 1.673 1.00 0.00 C ATOM 1231 SD MET A 79 0.765 -6.486 0.427 1.00 0.00 S ATOM 1232 CE MET A 79 0.199 -8.178 0.476 1.00 0.00 C ATOM 0 H MET A 79 0.843 -5.502 5.774 1.00 0.00 H new ATOM 0 HA MET A 79 -1.364 -4.924 3.893 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.117 -4.786 2.977 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.099 -6.531 3.134 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.184 -6.384 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.630 -4.783 1.352 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.010 -8.842 0.176 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.118 -8.427 1.489 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.641 -8.300 -0.207 1.00 0.00 H new ATOM 1242 N MET A 80 -2.328 -7.109 4.400 1.00 0.00 N ATOM 1243 CA MET A 80 -2.954 -8.380 4.720 1.00 0.00 C ATOM 1244 C MET A 80 -3.672 -8.960 3.499 1.00 0.00 C ATOM 1245 O MET A 80 -3.844 -8.275 2.492 1.00 0.00 O ATOM 1246 CB MET A 80 -3.958 -8.184 5.857 1.00 0.00 C ATOM 1247 CG MET A 80 -3.288 -8.376 7.219 1.00 0.00 C ATOM 1248 SD MET A 80 -4.285 -9.444 8.244 1.00 0.00 S ATOM 1249 CE MET A 80 -5.529 -8.284 8.784 1.00 0.00 C ATOM 0 H MET A 80 -2.969 -6.393 4.058 1.00 0.00 H new ATOM 0 HA MET A 80 -2.176 -9.079 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.390 -7.185 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.779 -8.893 5.748 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.295 -8.807 7.088 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.154 -7.411 7.707 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.239 -8.790 9.438 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.054 -7.467 9.327 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.056 -7.885 7.917 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.071 -10.217 3.629 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.766 -10.897 2.550 1.00 0.00 C ATOM 1261 C GLY A 81 -4.001 -12.145 2.105 1.00 0.00 C ATOM 1262 O GLY A 81 -2.902 -12.409 2.590 1.00 0.00 O ATOM 0 H GLY A 81 -3.926 -10.782 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.767 -11.177 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.885 -10.219 1.705 1.00 0.00 H new ATOM 1266 N THR A 82 -4.613 -12.880 1.188 1.00 0.00 N ATOM 1267 CA THR A 82 -4.003 -14.094 0.672 1.00 0.00 C ATOM 1268 C THR A 82 -4.017 -14.089 -0.857 1.00 0.00 C ATOM 1269 O THR A 82 -4.931 -13.542 -1.472 1.00 0.00 O ATOM 1270 CB THR A 82 -4.738 -15.288 1.283 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.103 -14.880 1.310 1.00 0.00 O ATOM 1272 CG2 THR A 82 -4.384 -15.503 2.756 1.00 0.00 C ATOM 0 H THR A 82 -5.525 -12.658 0.789 1.00 0.00 H new ATOM 0 HA THR A 82 -2.953 -14.161 0.955 1.00 0.00 H new ATOM 0 HB THR A 82 -4.499 -16.188 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.651 -15.597 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.933 -16.363 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.313 -15.685 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.653 -14.615 3.328 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.992 -14.706 -1.428 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.875 -14.780 -2.875 1.00 0.00 C ATOM 1282 C ARG A 83 -3.679 -15.966 -3.412 1.00 0.00 C ATOM 1283 O ARG A 83 -4.574 -16.471 -2.737 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.413 -14.928 -3.302 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.917 -16.357 -3.072 1.00 0.00 C ATOM 1286 CD ARG A 83 0.610 -16.399 -2.981 1.00 0.00 C ATOM 1287 NE ARG A 83 1.034 -17.497 -2.084 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.266 -17.616 -1.573 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.205 -16.706 -1.868 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.561 -18.645 -0.767 1.00 0.00 N ATOM 0 H ARG A 83 -2.236 -15.159 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.270 -13.852 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.310 -14.669 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.794 -14.229 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.351 -16.753 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.254 -16.998 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.038 -16.543 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.986 -15.447 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 83 0.344 -18.208 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.981 -15.923 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.143 -16.797 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.847 -19.338 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.500 -18.735 -0.378 1.00 0.00 H new