USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 43 GLN : amide:sc= -5.55! C(o=-8.7!,f=-12!) USER MOD Set 1.2: A 74 MET CE :methyl 137:sc= -3.13 (180deg=-1.42) USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= -0.382 (180deg=-1.58!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 14 TYR OH : rot -68:sc= 0.0379 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 84:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= -3.37! (180deg=-5.29!) USER MOD Single : A 30 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.854 (180deg=-2.8!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -0.617 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc=-0.00496 (180deg=-0.136) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.45) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.09) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.71) USER MOD Single : A 70 THR OG1 : rot -164:sc= -0.637 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.699 -1.670 -3.508 1.00 0.00 N ATOM 19 CA ALA A 2 2.938 -3.034 -3.963 1.00 0.00 C ATOM 20 C ALA A 2 4.387 -3.220 -4.401 1.00 0.00 C ATOM 21 O ALA A 2 4.853 -2.565 -5.335 1.00 0.00 O ATOM 22 CB ALA A 2 1.991 -3.384 -5.101 1.00 0.00 C ATOM 0 HA ALA A 2 2.749 -3.708 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.181 -4.405 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.961 -3.300 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.152 -2.698 -5.933 1.00 0.00 H new ATOM 28 N LEU A 3 5.095 -4.115 -3.722 1.00 0.00 N ATOM 29 CA LEU A 3 6.492 -4.387 -4.041 1.00 0.00 C ATOM 30 C LEU A 3 6.607 -5.483 -5.096 1.00 0.00 C ATOM 31 O LEU A 3 6.238 -6.636 -4.871 1.00 0.00 O ATOM 32 CB LEU A 3 7.254 -4.797 -2.779 1.00 0.00 C ATOM 33 CG LEU A 3 7.932 -3.664 -2.007 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.669 -4.212 -0.794 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.886 -2.898 -2.912 1.00 0.00 C ATOM 0 H LEU A 3 4.725 -4.665 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 3 6.931 -3.474 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.560 -5.303 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.015 -5.526 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 3 7.162 -2.975 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.145 -3.392 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.961 -4.715 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.429 -4.922 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.359 -2.096 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.651 -3.576 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.332 -2.473 -3.749 1.00 0.00 H new ATOM 47 N PRO A 4 7.132 -5.117 -6.274 1.00 0.00 N ATOM 48 CA PRO A 4 7.311 -6.055 -7.387 1.00 0.00 C ATOM 49 C PRO A 4 8.401 -7.084 -7.108 1.00 0.00 C ATOM 50 O PRO A 4 9.294 -6.850 -6.293 1.00 0.00 O ATOM 51 CB PRO A 4 7.715 -5.150 -8.553 1.00 0.00 C ATOM 52 CG PRO A 4 8.328 -3.954 -7.909 1.00 0.00 C ATOM 53 CD PRO A 4 7.594 -3.760 -6.612 1.00 0.00 C ATOM 0 HA PRO A 4 6.411 -6.639 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.422 -5.649 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.851 -4.875 -9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.393 -4.107 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.232 -3.075 -8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.246 -3.353 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.760 -3.067 -6.722 1.00 0.00 H new ATOM 61 N ILE A 5 8.323 -8.221 -7.791 1.00 0.00 N ATOM 62 CA ILE A 5 9.305 -9.285 -7.617 1.00 0.00 C ATOM 63 C ILE A 5 9.497 -10.071 -8.909 1.00 0.00 C ATOM 64 O ILE A 5 8.531 -10.532 -9.517 1.00 0.00 O ATOM 65 CB ILE A 5 8.891 -10.255 -6.495 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.160 -9.630 -5.125 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.635 -11.575 -6.636 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.689 -10.614 -4.105 1.00 0.00 C ATOM 0 H ILE A 5 7.591 -8.429 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 5 10.245 -8.806 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 5 7.822 -10.451 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.877 -8.817 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.237 -9.189 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.332 -12.251 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.398 -12.025 -7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.708 -11.396 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.857 -10.101 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.963 -11.414 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.629 -11.036 -4.460 1.00 0.00 H new ATOM 80 N ILE A 6 10.751 -10.222 -9.322 1.00 0.00 N ATOM 81 CA ILE A 6 11.070 -10.955 -10.541 1.00 0.00 C ATOM 82 C ILE A 6 11.498 -12.385 -10.226 1.00 0.00 C ATOM 83 O ILE A 6 12.279 -12.622 -9.304 1.00 0.00 O ATOM 84 CB ILE A 6 12.189 -10.261 -11.339 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.722 -8.886 -11.824 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.616 -11.126 -12.516 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.813 -7.838 -11.810 1.00 0.00 C ATOM 0 H ILE A 6 11.562 -9.847 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 6 10.163 -10.974 -11.145 1.00 0.00 H new ATOM 0 HB ILE A 6 13.049 -10.122 -10.684 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.333 -8.980 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.897 -8.549 -11.196 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.408 -10.621 -13.070 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.984 -12.084 -12.149 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.763 -11.293 -13.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.411 -6.889 -12.166 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.187 -7.715 -10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.629 -8.153 -12.461 1.00 0.00 H new ATOM 99 N VAL A 7 10.983 -13.335 -11.000 1.00 0.00 N ATOM 100 CA VAL A 7 11.314 -14.742 -10.805 1.00 0.00 C ATOM 101 C VAL A 7 11.812 -15.373 -12.101 1.00 0.00 C ATOM 102 O VAL A 7 11.326 -15.055 -13.186 1.00 0.00 O ATOM 103 CB VAL A 7 10.099 -15.538 -10.292 1.00 0.00 C ATOM 104 CG1 VAL A 7 10.371 -17.033 -10.366 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.750 -15.121 -8.872 1.00 0.00 C ATOM 0 H VAL A 7 10.335 -13.156 -11.767 1.00 0.00 H new ATOM 0 HA VAL A 7 12.106 -14.781 -10.057 1.00 0.00 H new ATOM 0 HB VAL A 7 9.245 -15.316 -10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.502 -17.579 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.568 -17.316 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.238 -17.276 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.889 -15.693 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.600 -15.312 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.510 -14.058 -8.854 1.00 0.00 H new ATOM 115 N LYS A 8 12.784 -16.271 -11.979 1.00 0.00 N ATOM 116 CA LYS A 8 13.348 -16.950 -13.139 1.00 0.00 C ATOM 117 C LYS A 8 13.054 -18.446 -13.090 1.00 0.00 C ATOM 118 O LYS A 8 13.270 -19.097 -12.068 1.00 0.00 O ATOM 119 CB LYS A 8 14.859 -16.718 -13.207 1.00 0.00 C ATOM 120 CG LYS A 8 15.379 -16.502 -14.618 1.00 0.00 C ATOM 121 CD LYS A 8 16.542 -15.525 -14.640 1.00 0.00 C ATOM 122 CE LYS A 8 16.059 -14.083 -14.610 1.00 0.00 C ATOM 123 NZ LYS A 8 15.956 -13.561 -13.219 1.00 0.00 N ATOM 0 H LYS A 8 13.197 -16.545 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 8 12.883 -16.535 -14.033 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.112 -15.850 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.370 -17.575 -12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.696 -17.456 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.574 -16.126 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.191 -15.710 -13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.141 -15.691 -15.536 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.745 -13.458 -15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.086 -14.016 -15.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.179 -12.545 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.989 -13.706 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.628 -14.067 -12.608 1.00 0.00 H new ATOM 137 N TRP A 9 12.563 -18.985 -14.200 1.00 0.00 N ATOM 138 CA TRP A 9 12.241 -20.405 -14.283 1.00 0.00 C ATOM 139 C TRP A 9 12.499 -20.940 -15.687 1.00 0.00 C ATOM 140 O TRP A 9 11.797 -20.591 -16.634 1.00 0.00 O ATOM 141 CB TRP A 9 10.780 -20.641 -13.895 1.00 0.00 C ATOM 142 CG TRP A 9 10.297 -22.024 -14.214 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.136 -22.359 -14.851 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.961 -23.255 -13.911 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.039 -23.725 -14.961 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.146 -24.298 -14.393 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.166 -23.579 -13.281 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.498 -25.639 -14.263 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.514 -24.910 -13.152 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.683 -25.926 -13.641 1.00 0.00 C ATOM 0 H TRP A 9 12.379 -18.460 -15.055 1.00 0.00 H new ATOM 0 HA TRP A 9 12.886 -20.940 -13.586 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.661 -20.460 -12.827 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.152 -19.916 -14.413 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.403 -21.654 -15.214 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.267 -24.231 -15.396 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.814 -22.803 -12.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.859 -26.424 -14.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.442 -25.171 -12.666 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.983 -26.957 -13.525 1.00 0.00 H new ATOM 161 N GLY A 10 13.513 -21.792 -15.814 1.00 0.00 N ATOM 162 CA GLY A 10 13.846 -22.362 -17.106 1.00 0.00 C ATOM 163 C GLY A 10 14.064 -21.302 -18.168 1.00 0.00 C ATOM 164 O GLY A 10 13.666 -21.475 -19.319 1.00 0.00 O ATOM 0 H GLY A 10 14.109 -22.097 -15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.747 -22.968 -17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.045 -23.030 -17.423 1.00 0.00 H new ATOM 168 N GLY A 11 14.699 -20.200 -17.781 1.00 0.00 N ATOM 169 CA GLY A 11 14.957 -19.123 -18.720 1.00 0.00 C ATOM 170 C GLY A 11 13.780 -18.178 -18.855 1.00 0.00 C ATOM 171 O GLY A 11 13.877 -17.148 -19.521 1.00 0.00 O ATOM 0 H GLY A 11 15.040 -20.033 -16.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.833 -18.563 -18.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.194 -19.545 -19.697 1.00 0.00 H new ATOM 175 N GLN A 12 12.665 -18.529 -18.222 1.00 0.00 N ATOM 176 CA GLN A 12 11.464 -17.703 -18.277 1.00 0.00 C ATOM 177 C GLN A 12 11.480 -16.644 -17.180 1.00 0.00 C ATOM 178 O GLN A 12 11.911 -16.907 -16.058 1.00 0.00 O ATOM 179 CB GLN A 12 10.214 -18.575 -18.143 1.00 0.00 C ATOM 180 CG GLN A 12 10.134 -19.687 -19.176 1.00 0.00 C ATOM 181 CD GLN A 12 9.641 -19.197 -20.524 1.00 0.00 C ATOM 182 OE1 GLN A 12 9.414 -18.003 -20.717 1.00 0.00 O ATOM 183 NE2 GLN A 12 9.475 -20.120 -21.464 1.00 0.00 N ATOM 0 H GLN A 12 12.568 -19.379 -17.666 1.00 0.00 H new ATOM 0 HA GLN A 12 11.445 -17.198 -19.243 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.193 -19.015 -17.146 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.330 -17.944 -18.232 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.119 -20.138 -19.296 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.467 -20.469 -18.812 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.676 -21.099 -21.259 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.147 -19.850 -22.391 1.00 0.00 H new ATOM 192 N GLU A 13 11.008 -15.447 -17.513 1.00 0.00 N ATOM 193 CA GLU A 13 10.970 -14.348 -16.555 1.00 0.00 C ATOM 194 C GLU A 13 9.531 -13.991 -16.193 1.00 0.00 C ATOM 195 O GLU A 13 8.683 -13.820 -17.069 1.00 0.00 O ATOM 196 CB GLU A 13 11.684 -13.120 -17.126 1.00 0.00 C ATOM 197 CG GLU A 13 13.101 -12.945 -16.608 1.00 0.00 C ATOM 198 CD GLU A 13 14.079 -12.563 -17.702 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.332 -13.404 -18.590 1.00 0.00 O ATOM 200 OE2 GLU A 13 14.591 -11.425 -17.671 1.00 0.00 O ATOM 0 H GLU A 13 10.647 -15.214 -18.438 1.00 0.00 H new ATOM 0 HA GLU A 13 11.484 -14.671 -15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.710 -13.198 -18.213 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.105 -12.229 -16.885 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.109 -12.177 -15.834 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.430 -13.873 -16.140 1.00 0.00 H new ATOM 207 N TYR A 14 9.264 -13.882 -14.897 1.00 0.00 N ATOM 208 CA TYR A 14 7.928 -13.549 -14.418 1.00 0.00 C ATOM 209 C TYR A 14 7.995 -12.538 -13.276 1.00 0.00 C ATOM 210 O TYR A 14 8.534 -12.826 -12.208 1.00 0.00 O ATOM 211 CB TYR A 14 7.200 -14.811 -13.953 1.00 0.00 C ATOM 212 CG TYR A 14 7.172 -15.910 -14.992 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.274 -15.870 -16.051 1.00 0.00 C ATOM 214 CD2 TYR A 14 8.045 -16.989 -14.914 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.244 -16.872 -17.001 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.023 -17.995 -15.861 1.00 0.00 C ATOM 217 CZ TYR A 14 7.121 -17.932 -16.902 1.00 0.00 C ATOM 218 OH TYR A 14 7.096 -18.931 -17.847 1.00 0.00 O ATOM 0 H TYR A 14 9.955 -14.019 -14.159 1.00 0.00 H new ATOM 0 HA TYR A 14 7.375 -13.102 -15.244 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.682 -15.187 -13.051 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.176 -14.551 -13.683 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.587 -15.041 -16.133 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.752 -17.042 -14.100 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.538 -16.826 -17.817 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.709 -18.826 -15.786 1.00 0.00 H new ATOM 0 HH TYR A 14 6.260 -19.436 -17.767 1.00 0.00 H new ATOM 228 N SER A 15 7.442 -11.352 -13.512 1.00 0.00 N ATOM 229 CA SER A 15 7.441 -10.296 -12.506 1.00 0.00 C ATOM 230 C SER A 15 6.078 -10.193 -11.828 1.00 0.00 C ATOM 231 O SER A 15 5.042 -10.417 -12.455 1.00 0.00 O ATOM 232 CB SER A 15 7.809 -8.955 -13.143 1.00 0.00 C ATOM 233 OG SER A 15 6.891 -8.608 -14.166 1.00 0.00 O ATOM 0 H SER A 15 6.989 -11.099 -14.390 1.00 0.00 H new ATOM 0 HA SER A 15 8.185 -10.547 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.819 -8.177 -12.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.816 -9.009 -13.557 1.00 0.00 H new ATOM 0 HG SER A 15 7.147 -7.746 -14.556 1.00 0.00 H new ATOM 239 N VAL A 16 6.087 -9.853 -10.543 1.00 0.00 N ATOM 240 CA VAL A 16 4.852 -9.719 -9.779 1.00 0.00 C ATOM 241 C VAL A 16 4.468 -8.254 -9.609 1.00 0.00 C ATOM 242 O VAL A 16 5.331 -7.383 -9.493 1.00 0.00 O ATOM 243 CB VAL A 16 4.979 -10.370 -8.389 1.00 0.00 C ATOM 244 CG1 VAL A 16 5.099 -9.305 -7.310 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.793 -11.284 -8.119 1.00 0.00 C ATOM 0 H VAL A 16 6.936 -9.665 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 16 4.073 -10.233 -10.343 1.00 0.00 H new ATOM 0 HB VAL A 16 5.886 -10.975 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.188 -9.784 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.983 -8.696 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.212 -8.671 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.899 -11.736 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.871 -10.704 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.758 -12.068 -8.875 1.00 0.00 H new ATOM 255 N THR A 17 3.166 -7.987 -9.595 1.00 0.00 N ATOM 256 CA THR A 17 2.666 -6.627 -9.439 1.00 0.00 C ATOM 257 C THR A 17 1.271 -6.620 -8.824 1.00 0.00 C ATOM 258 O THR A 17 0.404 -5.846 -9.231 1.00 0.00 O ATOM 259 CB THR A 17 2.622 -5.886 -10.789 1.00 0.00 C ATOM 260 OG1 THR A 17 2.054 -6.734 -11.794 1.00 0.00 O ATOM 261 CG2 THR A 17 4.017 -5.452 -11.214 1.00 0.00 C ATOM 0 H THR A 17 2.438 -8.695 -9.690 1.00 0.00 H new ATOM 0 HA THR A 17 3.357 -6.112 -8.772 1.00 0.00 H new ATOM 0 HB THR A 17 2.003 -4.997 -10.671 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.028 -6.256 -12.649 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.961 -4.931 -12.170 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.436 -4.784 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.656 -6.329 -11.316 1.00 0.00 H new ATOM 269 N THR A 18 1.060 -7.488 -7.838 1.00 0.00 N ATOM 270 CA THR A 18 -0.230 -7.583 -7.167 1.00 0.00 C ATOM 271 C THR A 18 -0.078 -7.412 -5.659 1.00 0.00 C ATOM 272 O THR A 18 -0.940 -6.828 -5.001 1.00 0.00 O ATOM 273 CB THR A 18 -0.914 -8.932 -7.453 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.967 -9.157 -6.509 1.00 0.00 O ATOM 275 CG2 THR A 18 0.089 -10.074 -7.383 1.00 0.00 C ATOM 0 H THR A 18 1.766 -8.135 -7.487 1.00 0.00 H new ATOM 0 HA THR A 18 -0.852 -6.779 -7.561 1.00 0.00 H new ATOM 0 HB THR A 18 -1.330 -8.897 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.398 -10.016 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.418 -11.017 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.874 -9.915 -8.123 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.531 -10.109 -6.387 1.00 0.00 H new ATOM 283 N LEU A 19 1.021 -7.925 -5.118 1.00 0.00 N ATOM 284 CA LEU A 19 1.286 -7.828 -3.687 1.00 0.00 C ATOM 285 C LEU A 19 2.721 -7.379 -3.428 1.00 0.00 C ATOM 286 O LEU A 19 3.481 -7.126 -4.362 1.00 0.00 O ATOM 287 CB LEU A 19 1.031 -9.175 -3.009 1.00 0.00 C ATOM 288 CG LEU A 19 1.962 -10.318 -3.415 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.233 -11.232 -2.230 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.367 -11.106 -4.573 1.00 0.00 C ATOM 0 H LEU A 19 1.743 -8.412 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 19 0.610 -7.083 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.108 -9.036 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.005 -9.477 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 19 2.909 -9.890 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.897 -12.040 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.703 -10.660 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.293 -11.652 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.043 -11.915 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.405 -11.523 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.225 -10.445 -5.428 1.00 0.00 H new ATOM 302 N SER A 20 3.085 -7.286 -2.153 1.00 0.00 N ATOM 303 CA SER A 20 4.428 -6.866 -1.770 1.00 0.00 C ATOM 304 C SER A 20 5.230 -8.043 -1.223 1.00 0.00 C ATOM 305 O SER A 20 4.686 -9.121 -0.987 1.00 0.00 O ATOM 306 CB SER A 20 4.359 -5.752 -0.724 1.00 0.00 C ATOM 307 OG SER A 20 3.016 -5.388 -0.455 1.00 0.00 O ATOM 0 H SER A 20 2.469 -7.496 -1.368 1.00 0.00 H new ATOM 0 HA SER A 20 4.931 -6.488 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.841 -6.082 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.911 -4.881 -1.078 1.00 0.00 H new ATOM 0 HG SER A 20 2.640 -5.996 0.215 1.00 0.00 H new ATOM 313 N GLU A 21 6.526 -7.827 -1.026 1.00 0.00 N ATOM 314 CA GLU A 21 7.404 -8.871 -0.508 1.00 0.00 C ATOM 315 C GLU A 21 7.114 -9.144 0.965 1.00 0.00 C ATOM 316 O GLU A 21 7.436 -10.213 1.484 1.00 0.00 O ATOM 317 CB GLU A 21 8.870 -8.469 -0.684 1.00 0.00 C ATOM 318 CG GLU A 21 9.351 -7.456 0.340 1.00 0.00 C ATOM 319 CD GLU A 21 10.806 -7.076 0.146 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.529 -7.829 -0.540 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.222 -6.027 0.680 1.00 0.00 O ATOM 0 H GLU A 21 6.992 -6.940 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 21 7.214 -9.783 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.493 -9.361 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.007 -8.056 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.734 -6.560 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.217 -7.865 1.341 1.00 0.00 H new ATOM 328 N ASP A 22 6.504 -8.170 1.632 1.00 0.00 N ATOM 329 CA ASP A 22 6.170 -8.305 3.045 1.00 0.00 C ATOM 330 C ASP A 22 4.823 -8.998 3.221 1.00 0.00 C ATOM 331 O ASP A 22 4.335 -9.155 4.341 1.00 0.00 O ATOM 332 CB ASP A 22 6.142 -6.931 3.718 1.00 0.00 C ATOM 333 CG ASP A 22 7.511 -6.282 3.764 1.00 0.00 C ATOM 334 OD1 ASP A 22 8.455 -6.922 4.272 1.00 0.00 O ATOM 335 OD2 ASP A 22 7.639 -5.132 3.292 1.00 0.00 O ATOM 0 H ASP A 22 6.231 -7.279 1.217 1.00 0.00 H new ATOM 0 HA ASP A 22 6.938 -8.917 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.452 -6.280 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.758 -7.034 4.733 1.00 0.00 H new ATOM 340 N ASP A 23 4.225 -9.410 2.109 1.00 0.00 N ATOM 341 CA ASP A 23 2.934 -10.087 2.139 1.00 0.00 C ATOM 342 C ASP A 23 3.087 -11.528 2.616 1.00 0.00 C ATOM 343 O ASP A 23 2.816 -11.842 3.776 1.00 0.00 O ATOM 344 CB ASP A 23 2.287 -10.061 0.754 1.00 0.00 C ATOM 345 CG ASP A 23 1.591 -8.746 0.464 1.00 0.00 C ATOM 346 OD1 ASP A 23 2.271 -7.699 0.476 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.364 -8.763 0.228 1.00 0.00 O ATOM 0 H ASP A 23 4.614 -9.287 1.174 1.00 0.00 H new ATOM 0 HA ASP A 23 2.290 -9.557 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.050 -10.239 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.566 -10.875 0.678 1.00 0.00 H new ATOM 352 N THR A 24 3.522 -12.402 1.713 1.00 0.00 N ATOM 353 CA THR A 24 3.709 -13.809 2.041 1.00 0.00 C ATOM 354 C THR A 24 4.184 -14.598 0.825 1.00 0.00 C ATOM 355 O THR A 24 3.845 -14.269 -0.312 1.00 0.00 O ATOM 356 CB THR A 24 2.408 -14.440 2.571 1.00 0.00 C ATOM 357 OG1 THR A 24 1.293 -13.595 2.265 1.00 0.00 O ATOM 358 CG2 THR A 24 2.487 -14.660 4.075 1.00 0.00 C ATOM 0 H THR A 24 3.751 -12.159 0.749 1.00 0.00 H new ATOM 0 HA THR A 24 4.470 -13.854 2.820 1.00 0.00 H new ATOM 0 HB THR A 24 2.275 -15.406 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.470 -14.004 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.557 -15.106 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.318 -15.327 4.302 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.642 -13.704 4.575 1.00 0.00 H new ATOM 366 N VAL A 25 4.970 -15.641 1.073 1.00 0.00 N ATOM 367 CA VAL A 25 5.490 -16.478 -0.002 1.00 0.00 C ATOM 368 C VAL A 25 4.357 -17.104 -0.808 1.00 0.00 C ATOM 369 O VAL A 25 4.311 -16.983 -2.033 1.00 0.00 O ATOM 370 CB VAL A 25 6.395 -17.597 0.546 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.235 -18.866 -0.278 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.847 -17.145 0.568 1.00 0.00 C ATOM 0 H VAL A 25 5.260 -15.926 2.008 1.00 0.00 H new ATOM 0 HA VAL A 25 6.079 -15.830 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 25 6.091 -17.817 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.882 -19.645 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.198 -19.199 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.510 -18.665 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.472 -17.948 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.166 -16.896 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.945 -16.267 1.206 1.00 0.00 H new ATOM 382 N LEU A 26 3.444 -17.774 -0.113 1.00 0.00 N ATOM 383 CA LEU A 26 2.309 -18.419 -0.764 1.00 0.00 C ATOM 384 C LEU A 26 1.474 -17.403 -1.536 1.00 0.00 C ATOM 385 O LEU A 26 0.748 -17.758 -2.465 1.00 0.00 O ATOM 386 CB LEU A 26 1.438 -19.130 0.273 1.00 0.00 C ATOM 387 CG LEU A 26 0.039 -18.552 0.484 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.923 -19.084 -0.568 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.467 -18.875 1.882 1.00 0.00 C ATOM 0 H LEU A 26 3.468 -17.885 0.901 1.00 0.00 H new ATOM 0 HA LEU A 26 2.696 -19.154 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.337 -20.175 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.962 -19.117 1.228 1.00 0.00 H new ATOM 0 HG LEU A 26 0.096 -17.468 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.914 -18.662 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.570 -18.802 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.975 -20.170 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.464 -18.455 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.508 -19.956 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.208 -18.445 2.622 1.00 0.00 H new ATOM 401 N ASP A 27 1.582 -16.138 -1.147 1.00 0.00 N ATOM 402 CA ASP A 27 0.839 -15.069 -1.804 1.00 0.00 C ATOM 403 C ASP A 27 1.484 -14.698 -3.136 1.00 0.00 C ATOM 404 O ASP A 27 0.800 -14.546 -4.148 1.00 0.00 O ATOM 405 CB ASP A 27 0.766 -13.838 -0.898 1.00 0.00 C ATOM 406 CG ASP A 27 -0.278 -12.841 -1.361 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.665 -12.895 -2.546 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.706 -12.005 -0.537 1.00 0.00 O ATOM 0 H ASP A 27 2.177 -15.827 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.172 -15.428 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.538 -14.153 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.741 -13.352 -0.870 1.00 0.00 H new ATOM 413 N LEU A 28 2.805 -14.553 -3.127 1.00 0.00 N ATOM 414 CA LEU A 28 3.543 -14.199 -4.335 1.00 0.00 C ATOM 415 C LEU A 28 3.798 -15.430 -5.198 1.00 0.00 C ATOM 416 O LEU A 28 3.488 -15.442 -6.389 1.00 0.00 O ATOM 417 CB LEU A 28 4.871 -13.535 -3.968 1.00 0.00 C ATOM 418 CG LEU A 28 5.485 -12.627 -5.034 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.998 -11.339 -4.408 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.606 -13.348 -5.768 1.00 0.00 C ATOM 0 H LEU A 28 3.386 -14.675 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 28 2.938 -13.496 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.722 -12.948 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.591 -14.317 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 28 4.710 -12.372 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.431 -10.706 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.172 -10.813 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.759 -11.574 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.031 -12.686 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.382 -13.633 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.209 -14.241 -6.250 1.00 0.00 H new ATOM 432 N LYS A 29 4.363 -16.467 -4.588 1.00 0.00 N ATOM 433 CA LYS A 29 4.657 -17.705 -5.299 1.00 0.00 C ATOM 434 C LYS A 29 3.439 -18.187 -6.080 1.00 0.00 C ATOM 435 O LYS A 29 3.549 -18.567 -7.245 1.00 0.00 O ATOM 436 CB LYS A 29 5.106 -18.788 -4.314 1.00 0.00 C ATOM 437 CG LYS A 29 6.612 -18.858 -4.131 1.00 0.00 C ATOM 438 CD LYS A 29 7.148 -17.613 -3.445 1.00 0.00 C ATOM 439 CE LYS A 29 7.484 -16.522 -4.451 1.00 0.00 C ATOM 440 NZ LYS A 29 8.751 -15.820 -4.106 1.00 0.00 N ATOM 0 H LYS A 29 4.626 -16.474 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 29 5.463 -17.507 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.639 -18.603 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.745 -19.756 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.867 -19.738 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.093 -18.975 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.409 -17.240 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.039 -17.868 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.571 -16.959 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.668 -15.800 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.540 -14.841 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.218 -16.313 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.381 -15.815 -4.933 1.00 0.00 H new ATOM 454 N GLN A 30 2.279 -18.166 -5.431 1.00 0.00 N ATOM 455 CA GLN A 30 1.041 -18.600 -6.067 1.00 0.00 C ATOM 456 C GLN A 30 0.782 -17.814 -7.348 1.00 0.00 C ATOM 457 O GLN A 30 0.260 -18.352 -8.324 1.00 0.00 O ATOM 458 CB GLN A 30 -0.136 -18.433 -5.105 1.00 0.00 C ATOM 459 CG GLN A 30 -0.543 -16.985 -4.887 1.00 0.00 C ATOM 460 CD GLN A 30 -1.718 -16.572 -5.753 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.628 -17.363 -6.002 1.00 0.00 O ATOM 462 NE2 GLN A 30 -1.703 -15.328 -6.216 1.00 0.00 N ATOM 0 H GLN A 30 2.171 -17.853 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 30 1.144 -19.654 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.991 -18.988 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.125 -18.877 -4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.800 -16.838 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.307 -16.337 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.928 -14.707 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.467 -14.993 -6.804 1.00 0.00 H new ATOM 471 N PHE A 31 1.150 -16.537 -7.337 1.00 0.00 N ATOM 472 CA PHE A 31 0.956 -15.676 -8.498 1.00 0.00 C ATOM 473 C PHE A 31 1.861 -16.104 -9.650 1.00 0.00 C ATOM 474 O PHE A 31 1.388 -16.398 -10.749 1.00 0.00 O ATOM 475 CB PHE A 31 1.237 -14.217 -8.130 1.00 0.00 C ATOM 476 CG PHE A 31 0.800 -13.239 -9.182 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.527 -12.852 -9.279 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.716 -12.706 -10.075 1.00 0.00 C ATOM 479 CE1 PHE A 31 -0.931 -11.952 -10.247 1.00 0.00 C ATOM 480 CE2 PHE A 31 1.318 -11.806 -11.045 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.008 -11.428 -11.130 1.00 0.00 C ATOM 0 H PHE A 31 1.584 -16.076 -6.537 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.081 -15.770 -8.819 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.730 -13.983 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.306 -14.095 -7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.253 -13.258 -8.591 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.754 -12.998 -10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.968 -11.659 -10.313 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.042 -11.399 -11.735 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.322 -10.724 -11.886 1.00 0.00 H new ATOM 491 N LEU A 32 3.163 -16.137 -9.392 1.00 0.00 N ATOM 492 CA LEU A 32 4.135 -16.529 -10.406 1.00 0.00 C ATOM 493 C LEU A 32 3.929 -17.980 -10.826 1.00 0.00 C ATOM 494 O LEU A 32 4.241 -18.362 -11.954 1.00 0.00 O ATOM 495 CB LEU A 32 5.558 -16.335 -9.879 1.00 0.00 C ATOM 496 CG LEU A 32 5.866 -16.979 -8.527 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.260 -18.437 -8.707 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.967 -16.212 -7.809 1.00 0.00 C ATOM 0 H LEU A 32 3.571 -15.897 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 32 3.988 -15.894 -11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.255 -16.734 -10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.753 -15.265 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 32 4.965 -16.941 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.475 -18.878 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.441 -18.980 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.147 -18.499 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.173 -16.685 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.871 -16.218 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.647 -15.183 -7.646 1.00 0.00 H new ATOM 510 N LYS A 33 3.400 -18.786 -9.911 1.00 0.00 N ATOM 511 CA LYS A 33 3.147 -20.195 -10.186 1.00 0.00 C ATOM 512 C LYS A 33 2.191 -20.358 -11.364 1.00 0.00 C ATOM 513 O LYS A 33 2.298 -21.310 -12.137 1.00 0.00 O ATOM 514 CB LYS A 33 2.569 -20.882 -8.947 1.00 0.00 C ATOM 515 CG LYS A 33 1.302 -21.673 -9.226 1.00 0.00 C ATOM 516 CD LYS A 33 1.610 -22.995 -9.910 1.00 0.00 C ATOM 517 CE LYS A 33 0.361 -23.608 -10.524 1.00 0.00 C ATOM 518 NZ LYS A 33 0.243 -23.292 -11.974 1.00 0.00 N ATOM 0 H LYS A 33 3.138 -18.487 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 33 4.096 -20.664 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.321 -21.552 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.357 -20.128 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.775 -21.860 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.635 -21.084 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.359 -22.839 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.040 -23.689 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.383 -24.689 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.520 -23.239 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.704 -22.908 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.963 -22.588 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.387 -24.158 -12.531 1.00 0.00 H new ATOM 532 N THR A 34 1.257 -19.421 -11.495 1.00 0.00 N ATOM 533 CA THR A 34 0.282 -19.460 -12.578 1.00 0.00 C ATOM 534 C THR A 34 0.945 -19.193 -13.924 1.00 0.00 C ATOM 535 O THR A 34 0.452 -19.623 -14.967 1.00 0.00 O ATOM 536 CB THR A 34 -0.842 -18.430 -12.359 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.035 -18.858 -13.025 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.430 -17.060 -12.876 1.00 0.00 C ATOM 0 H THR A 34 1.155 -18.626 -10.864 1.00 0.00 H new ATOM 0 HA THR A 34 -0.148 -20.461 -12.580 1.00 0.00 H new ATOM 0 HB THR A 34 -1.031 -18.354 -11.288 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.745 -18.199 -12.880 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.240 -16.350 -12.710 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.461 -16.724 -12.346 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.216 -17.123 -13.943 1.00 0.00 H new ATOM 546 N LEU A 35 2.066 -18.481 -13.895 1.00 0.00 N ATOM 547 CA LEU A 35 2.799 -18.156 -15.114 1.00 0.00 C ATOM 548 C LEU A 35 3.929 -19.152 -15.351 1.00 0.00 C ATOM 549 O LEU A 35 4.418 -19.298 -16.472 1.00 0.00 O ATOM 550 CB LEU A 35 3.363 -16.737 -15.032 1.00 0.00 C ATOM 551 CG LEU A 35 2.391 -15.655 -14.558 1.00 0.00 C ATOM 552 CD1 LEU A 35 3.042 -14.283 -14.635 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.113 -15.688 -15.383 1.00 0.00 C ATOM 0 H LEU A 35 2.488 -18.117 -13.040 1.00 0.00 H new ATOM 0 HA LEU A 35 2.105 -18.215 -15.952 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.221 -16.747 -14.360 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.734 -16.457 -16.018 1.00 0.00 H new ATOM 0 HG LEU A 35 2.133 -15.855 -13.518 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.336 -13.526 -14.294 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.928 -14.265 -14.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.329 -14.074 -15.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.433 -14.912 -15.032 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.352 -15.513 -16.432 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.637 -16.663 -15.277 1.00 0.00 H new ATOM 565 N THR A 36 4.340 -19.838 -14.289 1.00 0.00 N ATOM 566 CA THR A 36 5.412 -20.820 -14.381 1.00 0.00 C ATOM 567 C THR A 36 4.856 -22.239 -14.426 1.00 0.00 C ATOM 568 O THR A 36 5.510 -23.158 -14.916 1.00 0.00 O ATOM 569 CB THR A 36 6.388 -20.701 -13.195 1.00 0.00 C ATOM 570 OG1 THR A 36 5.768 -21.192 -12.000 1.00 0.00 O ATOM 571 CG2 THR A 36 6.819 -19.256 -12.992 1.00 0.00 C ATOM 0 H THR A 36 3.946 -19.731 -13.354 1.00 0.00 H new ATOM 0 HA THR A 36 5.950 -20.614 -15.306 1.00 0.00 H new ATOM 0 HB THR A 36 7.272 -21.299 -13.418 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.239 -20.836 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.508 -19.197 -12.149 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.315 -18.894 -13.893 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.943 -18.640 -12.789 1.00 0.00 H new ATOM 579 N GLY A 37 3.641 -22.410 -13.912 1.00 0.00 N ATOM 580 CA GLY A 37 3.017 -23.720 -13.904 1.00 0.00 C ATOM 581 C GLY A 37 3.404 -24.539 -12.688 1.00 0.00 C ATOM 582 O GLY A 37 2.769 -25.548 -12.383 1.00 0.00 O ATOM 0 H GLY A 37 3.078 -21.665 -13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.934 -23.603 -13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.301 -24.260 -14.807 1.00 0.00 H new ATOM 586 N VAL A 38 4.451 -24.105 -11.993 1.00 0.00 N ATOM 587 CA VAL A 38 4.922 -24.806 -10.805 1.00 0.00 C ATOM 588 C VAL A 38 4.548 -24.048 -9.535 1.00 0.00 C ATOM 589 O VAL A 38 4.710 -22.830 -9.456 1.00 0.00 O ATOM 590 CB VAL A 38 6.449 -25.005 -10.839 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.146 -23.720 -11.258 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.955 -25.479 -9.485 1.00 0.00 C ATOM 0 H VAL A 38 4.989 -23.272 -12.232 1.00 0.00 H new ATOM 0 HA VAL A 38 4.436 -25.781 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 38 6.681 -25.773 -11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.224 -23.880 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.806 -23.429 -12.252 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.909 -22.929 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.036 -25.614 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.712 -24.736 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.480 -26.427 -9.231 1.00 0.00 H new ATOM 602 N LEU A 39 4.048 -24.777 -8.544 1.00 0.00 N ATOM 603 CA LEU A 39 3.651 -24.174 -7.276 1.00 0.00 C ATOM 604 C LEU A 39 4.752 -24.329 -6.231 1.00 0.00 C ATOM 605 O LEU A 39 5.644 -25.169 -6.353 1.00 0.00 O ATOM 606 CB LEU A 39 2.357 -24.813 -6.768 1.00 0.00 C ATOM 607 CG LEU A 39 2.163 -26.292 -7.102 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.797 -26.465 -8.568 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.418 -27.084 -6.767 1.00 0.00 C ATOM 0 H LEU A 39 3.908 -25.786 -8.593 1.00 0.00 H new ATOM 0 HA LEU A 39 3.482 -23.110 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.319 -24.698 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.515 -24.255 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 39 1.343 -26.676 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.663 -27.524 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.870 -25.931 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.595 -26.064 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.261 -28.135 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.257 -26.698 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.636 -26.988 -5.703 1.00 0.00 H new ATOM 621 N PRO A 40 4.689 -23.501 -5.178 1.00 0.00 N ATOM 622 CA PRO A 40 5.671 -23.529 -4.090 1.00 0.00 C ATOM 623 C PRO A 40 5.553 -24.785 -3.234 1.00 0.00 C ATOM 624 O PRO A 40 6.510 -25.191 -2.576 1.00 0.00 O ATOM 625 CB PRO A 40 5.323 -22.286 -3.267 1.00 0.00 C ATOM 626 CG PRO A 40 3.881 -22.038 -3.547 1.00 0.00 C ATOM 627 CD PRO A 40 3.654 -22.475 -4.968 1.00 0.00 C ATOM 0 HA PRO A 40 6.695 -23.537 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.497 -22.454 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.936 -21.433 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.248 -22.600 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.634 -20.984 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.652 -22.880 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.763 -21.645 -5.666 1.00 0.00 H new ATOM 635 N GLU A 41 4.372 -25.396 -3.248 1.00 0.00 N ATOM 636 CA GLU A 41 4.130 -26.607 -2.471 1.00 0.00 C ATOM 637 C GLU A 41 5.003 -27.755 -2.969 1.00 0.00 C ATOM 638 O GLU A 41 5.193 -28.752 -2.271 1.00 0.00 O ATOM 639 CB GLU A 41 2.654 -27.002 -2.549 1.00 0.00 C ATOM 640 CG GLU A 41 2.212 -27.434 -3.937 1.00 0.00 C ATOM 641 CD GLU A 41 0.928 -28.241 -3.915 1.00 0.00 C ATOM 642 OE1 GLU A 41 0.063 -27.958 -3.060 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.788 -29.155 -4.754 1.00 0.00 O ATOM 0 H GLU A 41 3.569 -25.073 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 41 4.389 -26.401 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.467 -27.815 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.043 -26.158 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.071 -26.551 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.002 -28.027 -4.398 1.00 0.00 H new ATOM 650 N ARG A 42 5.530 -27.609 -4.180 1.00 0.00 N ATOM 651 CA ARG A 42 6.381 -28.634 -4.772 1.00 0.00 C ATOM 652 C ARG A 42 7.852 -28.239 -4.681 1.00 0.00 C ATOM 653 O ARG A 42 8.709 -29.070 -4.382 1.00 0.00 O ATOM 654 CB ARG A 42 5.994 -28.866 -6.234 1.00 0.00 C ATOM 655 CG ARG A 42 4.873 -29.876 -6.414 1.00 0.00 C ATOM 656 CD ARG A 42 5.409 -31.297 -6.487 1.00 0.00 C ATOM 657 NE ARG A 42 5.580 -31.886 -5.162 1.00 0.00 N ATOM 658 CZ ARG A 42 6.275 -32.995 -4.935 1.00 0.00 C ATOM 659 NH1 ARG A 42 6.861 -33.632 -5.939 1.00 0.00 N ATOM 660 NH2 ARG A 42 6.385 -33.469 -3.700 1.00 0.00 N ATOM 0 H ARG A 42 5.383 -26.791 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 42 6.236 -29.559 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.691 -27.917 -6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.871 -29.208 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.171 -29.793 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.319 -29.648 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.726 -31.913 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.365 -31.297 -7.010 1.00 0.00 H new ATOM 0 HE ARG A 42 5.142 -31.420 -4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.779 -33.271 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.394 -34.483 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.936 -32.982 -2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.919 -34.321 -3.526 1.00 0.00 H new ATOM 674 N GLN A 43 8.135 -26.967 -4.941 1.00 0.00 N ATOM 675 CA GLN A 43 9.503 -26.463 -4.889 1.00 0.00 C ATOM 676 C GLN A 43 9.561 -25.120 -4.169 1.00 0.00 C ATOM 677 O GLN A 43 8.533 -24.572 -3.769 1.00 0.00 O ATOM 678 CB GLN A 43 10.071 -26.323 -6.302 1.00 0.00 C ATOM 679 CG GLN A 43 9.060 -25.813 -7.316 1.00 0.00 C ATOM 680 CD GLN A 43 9.606 -24.685 -8.169 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.595 -23.523 -7.763 1.00 0.00 O ATOM 682 NE2 GLN A 43 10.089 -25.023 -9.359 1.00 0.00 N ATOM 0 H GLN A 43 7.436 -26.267 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 43 10.107 -27.179 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.922 -25.643 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.447 -27.292 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.753 -26.635 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.168 -25.468 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.078 -25.999 -9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.471 -24.307 -9.977 1.00 0.00 H new ATOM 691 N LYS A 44 10.770 -24.593 -4.006 1.00 0.00 N ATOM 692 CA LYS A 44 10.964 -23.313 -3.335 1.00 0.00 C ATOM 693 C LYS A 44 11.883 -22.407 -4.148 1.00 0.00 C ATOM 694 O LYS A 44 12.722 -22.882 -4.914 1.00 0.00 O ATOM 695 CB LYS A 44 11.550 -23.530 -1.938 1.00 0.00 C ATOM 696 CG LYS A 44 12.899 -24.228 -1.946 1.00 0.00 C ATOM 697 CD LYS A 44 12.770 -25.696 -1.576 1.00 0.00 C ATOM 698 CE LYS A 44 14.131 -26.370 -1.489 1.00 0.00 C ATOM 699 NZ LYS A 44 14.010 -27.836 -1.259 1.00 0.00 N ATOM 0 H LYS A 44 11.631 -25.033 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 44 9.992 -22.828 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.653 -22.565 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.849 -24.119 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.350 -24.139 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.570 -23.733 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.256 -25.787 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.156 -26.207 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.684 -26.191 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.707 -25.922 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.959 -28.259 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.504 -28.007 -0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.482 -28.268 -2.044 1.00 0.00 H new ATOM 713 N LEU A 45 11.720 -21.100 -3.975 1.00 0.00 N ATOM 714 CA LEU A 45 12.536 -20.126 -4.691 1.00 0.00 C ATOM 715 C LEU A 45 13.796 -19.785 -3.902 1.00 0.00 C ATOM 716 O LEU A 45 13.750 -19.607 -2.685 1.00 0.00 O ATOM 717 CB LEU A 45 11.729 -18.854 -4.960 1.00 0.00 C ATOM 718 CG LEU A 45 11.075 -18.752 -6.338 1.00 0.00 C ATOM 719 CD1 LEU A 45 9.809 -17.912 -6.267 1.00 0.00 C ATOM 720 CD2 LEU A 45 12.049 -18.168 -7.349 1.00 0.00 C ATOM 0 H LEU A 45 11.030 -20.690 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 45 12.834 -20.568 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.949 -18.776 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.388 -17.995 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 45 10.803 -19.756 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.357 -17.850 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.105 -18.373 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.057 -16.909 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.566 -18.103 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.353 -17.172 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.927 -18.810 -7.421 1.00 0.00 H new ATOM 732 N LEU A 46 14.920 -19.694 -4.604 1.00 0.00 N ATOM 733 CA LEU A 46 16.194 -19.373 -3.970 1.00 0.00 C ATOM 734 C LEU A 46 16.032 -18.231 -2.971 1.00 0.00 C ATOM 735 O LEU A 46 15.325 -17.259 -3.233 1.00 0.00 O ATOM 736 CB LEU A 46 17.232 -18.995 -5.028 1.00 0.00 C ATOM 737 CG LEU A 46 18.254 -20.076 -5.381 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.199 -19.584 -6.466 1.00 0.00 C ATOM 739 CD2 LEU A 46 19.034 -20.498 -4.143 1.00 0.00 C ATOM 0 H LEU A 46 14.975 -19.838 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 46 16.537 -20.257 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.706 -18.709 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.771 -18.113 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 46 17.717 -20.945 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.919 -20.367 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.628 -19.333 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.729 -18.699 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.757 -21.268 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.559 -19.636 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.345 -20.893 -3.396 1.00 0.00 H new ATOM 751 N GLY A 47 16.694 -18.357 -1.824 1.00 0.00 N ATOM 752 CA GLY A 47 16.612 -17.328 -0.804 1.00 0.00 C ATOM 753 C GLY A 47 17.246 -17.756 0.504 1.00 0.00 C ATOM 754 O GLY A 47 18.438 -17.535 0.727 1.00 0.00 O ATOM 0 H GLY A 47 17.285 -19.153 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.104 -16.424 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.566 -17.075 -0.631 1.00 0.00 H new ATOM 758 N LEU A 48 16.451 -18.370 1.373 1.00 0.00 N ATOM 759 CA LEU A 48 16.941 -18.829 2.667 1.00 0.00 C ATOM 760 C LEU A 48 15.871 -19.630 3.402 1.00 0.00 C ATOM 761 O LEU A 48 14.709 -19.653 2.996 1.00 0.00 O ATOM 762 CB LEU A 48 17.379 -17.638 3.521 1.00 0.00 C ATOM 763 CG LEU A 48 18.721 -17.783 4.239 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.496 -16.476 4.191 1.00 0.00 C ATOM 765 CD2 LEU A 48 18.511 -18.229 5.678 1.00 0.00 C ATOM 0 H LEU A 48 15.463 -18.561 1.204 1.00 0.00 H new ATOM 0 HA LEU A 48 17.799 -19.478 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.425 -16.756 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.608 -17.450 4.269 1.00 0.00 H new ATOM 0 HG LEU A 48 19.305 -18.547 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.448 -16.598 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.679 -16.199 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.917 -15.692 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.477 -18.327 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.907 -17.489 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.998 -19.191 5.690 1.00 0.00 H new ATOM 777 N LYS A 49 16.270 -20.285 4.487 1.00 0.00 N ATOM 778 CA LYS A 49 15.346 -21.085 5.282 1.00 0.00 C ATOM 779 C LYS A 49 15.181 -20.497 6.680 1.00 0.00 C ATOM 780 O LYS A 49 16.141 -20.010 7.277 1.00 0.00 O ATOM 781 CB LYS A 49 15.843 -22.529 5.380 1.00 0.00 C ATOM 782 CG LYS A 49 16.494 -23.036 4.105 1.00 0.00 C ATOM 783 CD LYS A 49 16.299 -24.533 3.936 1.00 0.00 C ATOM 784 CE LYS A 49 16.724 -24.998 2.551 1.00 0.00 C ATOM 785 NZ LYS A 49 18.114 -24.573 2.226 1.00 0.00 N ATOM 0 H LYS A 49 17.228 -20.277 4.836 1.00 0.00 H new ATOM 0 HA LYS A 49 14.376 -21.074 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.560 -22.603 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.004 -23.177 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.071 -22.514 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.559 -22.807 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.877 -25.064 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.251 -24.785 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.654 -26.084 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.038 -24.596 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.446 -25.085 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.129 -23.550 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.739 -24.786 3.029 1.00 0.00 H new ATOM 799 N VAL A 50 13.958 -20.547 7.198 1.00 0.00 N ATOM 800 CA VAL A 50 13.668 -20.022 8.527 1.00 0.00 C ATOM 801 C VAL A 50 13.165 -21.122 9.455 1.00 0.00 C ATOM 802 O VAL A 50 12.323 -21.936 9.073 1.00 0.00 O ATOM 803 CB VAL A 50 12.619 -18.896 8.469 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.295 -19.426 7.940 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.440 -18.264 9.841 1.00 0.00 C ATOM 0 H VAL A 50 13.152 -20.946 6.717 1.00 0.00 H new ATOM 0 HA VAL A 50 14.602 -19.619 8.918 1.00 0.00 H new ATOM 0 HB VAL A 50 12.975 -18.127 7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.566 -18.616 7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.438 -19.827 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.930 -20.215 8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.695 -17.470 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.107 -19.022 10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.389 -17.846 10.176 1.00 0.00 H new ATOM 815 N LYS A 51 13.687 -21.142 10.677 1.00 0.00 N ATOM 816 CA LYS A 51 13.291 -22.141 11.662 1.00 0.00 C ATOM 817 C LYS A 51 13.601 -23.549 11.165 1.00 0.00 C ATOM 818 O LYS A 51 13.034 -24.528 11.649 1.00 0.00 O ATOM 819 CB LYS A 51 11.797 -22.016 11.973 1.00 0.00 C ATOM 820 CG LYS A 51 11.386 -20.628 12.434 1.00 0.00 C ATOM 821 CD LYS A 51 11.883 -20.337 13.840 1.00 0.00 C ATOM 822 CE LYS A 51 13.208 -19.590 13.820 1.00 0.00 C ATOM 823 NZ LYS A 51 13.014 -18.116 13.892 1.00 0.00 N ATOM 0 H LYS A 51 14.386 -20.477 11.009 1.00 0.00 H new ATOM 0 HA LYS A 51 13.862 -21.963 12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.226 -22.278 11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.533 -22.739 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.783 -19.882 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.300 -20.541 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.139 -19.746 14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.000 -21.273 14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.822 -19.917 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.753 -19.841 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.940 -17.643 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.449 -17.800 13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.517 -17.874 14.773 1.00 0.00 H new ATOM 837 N GLY A 52 14.506 -23.644 10.195 1.00 0.00 N ATOM 838 CA GLY A 52 14.876 -24.936 9.649 1.00 0.00 C ATOM 839 C GLY A 52 13.979 -25.361 8.504 1.00 0.00 C ATOM 840 O GLY A 52 14.252 -26.351 7.825 1.00 0.00 O ATOM 0 H GLY A 52 14.989 -22.848 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.909 -24.898 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.832 -25.686 10.438 1.00 0.00 H new ATOM 844 N LYS A 53 12.902 -24.612 8.289 1.00 0.00 N ATOM 845 CA LYS A 53 11.960 -24.916 7.218 1.00 0.00 C ATOM 846 C LYS A 53 12.302 -24.134 5.954 1.00 0.00 C ATOM 847 O LYS A 53 12.751 -22.988 6.006 1.00 0.00 O ATOM 848 CB LYS A 53 10.531 -24.591 7.661 1.00 0.00 C ATOM 849 CG LYS A 53 9.967 -25.579 8.667 1.00 0.00 C ATOM 850 CD LYS A 53 8.873 -26.436 8.053 1.00 0.00 C ATOM 851 CE LYS A 53 8.595 -27.672 8.895 1.00 0.00 C ATOM 852 NZ LYS A 53 8.062 -28.794 8.073 1.00 0.00 N ATOM 0 H LYS A 53 12.660 -23.790 8.842 1.00 0.00 H new ATOM 0 HA LYS A 53 12.032 -25.981 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.513 -23.592 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.884 -24.569 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.767 -26.219 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.568 -25.038 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.960 -25.848 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.167 -26.738 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.513 -27.988 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.879 -27.424 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.885 -29.618 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.173 -28.501 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.755 -29.048 7.341 1.00 0.00 H new ATOM 866 N PRO A 54 12.085 -24.764 4.790 1.00 0.00 N ATOM 867 CA PRO A 54 12.362 -24.144 3.491 1.00 0.00 C ATOM 868 C PRO A 54 11.393 -23.011 3.171 1.00 0.00 C ATOM 869 O PRO A 54 10.613 -23.099 2.223 1.00 0.00 O ATOM 870 CB PRO A 54 12.181 -25.299 2.502 1.00 0.00 C ATOM 871 CG PRO A 54 11.249 -26.240 3.184 1.00 0.00 C ATOM 872 CD PRO A 54 11.552 -26.130 4.653 1.00 0.00 C ATOM 0 HA PRO A 54 13.352 -23.688 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.768 -24.949 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.133 -25.779 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.211 -25.978 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.396 -27.260 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.658 -26.275 5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.278 -26.878 4.971 1.00 0.00 H new ATOM 880 N ALA A 55 11.449 -21.949 3.966 1.00 0.00 N ATOM 881 CA ALA A 55 10.578 -20.797 3.766 1.00 0.00 C ATOM 882 C ALA A 55 9.126 -21.231 3.596 1.00 0.00 C ATOM 883 O ALA A 55 8.640 -21.378 2.475 1.00 0.00 O ATOM 884 CB ALA A 55 11.035 -19.994 2.557 1.00 0.00 C ATOM 0 H ALA A 55 12.089 -21.862 4.756 1.00 0.00 H new ATOM 0 HA ALA A 55 10.641 -20.166 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.376 -19.137 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.055 -19.645 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.002 -20.624 1.668 1.00 0.00 H new ATOM 890 N GLU A 56 8.438 -21.433 4.716 1.00 0.00 N ATOM 891 CA GLU A 56 7.042 -21.851 4.689 1.00 0.00 C ATOM 892 C GLU A 56 6.220 -20.945 3.777 1.00 0.00 C ATOM 893 O GLU A 56 6.687 -19.892 3.346 1.00 0.00 O ATOM 894 CB GLU A 56 6.455 -21.837 6.103 1.00 0.00 C ATOM 895 CG GLU A 56 5.442 -22.941 6.352 1.00 0.00 C ATOM 896 CD GLU A 56 5.996 -24.320 6.051 1.00 0.00 C ATOM 897 OE1 GLU A 56 7.214 -24.524 6.233 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.210 -25.196 5.633 1.00 0.00 O ATOM 0 H GLU A 56 8.825 -21.314 5.652 1.00 0.00 H new ATOM 0 HA GLU A 56 7.001 -22.867 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.266 -21.930 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.980 -20.872 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.117 -22.903 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.560 -22.765 5.736 1.00 0.00 H new ATOM 905 N ASN A 57 4.993 -21.365 3.486 1.00 0.00 N ATOM 906 CA ASN A 57 4.105 -20.593 2.624 1.00 0.00 C ATOM 907 C ASN A 57 3.697 -19.285 3.295 1.00 0.00 C ATOM 908 O ASN A 57 3.474 -18.276 2.626 1.00 0.00 O ATOM 909 CB ASN A 57 2.861 -21.411 2.275 1.00 0.00 C ATOM 910 CG ASN A 57 2.999 -22.139 0.951 1.00 0.00 C ATOM 911 OD1 ASN A 57 2.737 -23.338 0.859 1.00 0.00 O ATOM 912 ND2 ASN A 57 3.413 -21.414 -0.082 1.00 0.00 N ATOM 0 H ASN A 57 4.591 -22.235 3.834 1.00 0.00 H new ATOM 0 HA ASN A 57 4.645 -20.357 1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.672 -22.136 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.995 -20.750 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.525 -21.849 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.619 -20.423 0.041 1.00 0.00 H new ATOM 919 N ASP A 58 3.601 -19.311 4.619 1.00 0.00 N ATOM 920 CA ASP A 58 3.220 -18.128 5.382 1.00 0.00 C ATOM 921 C ASP A 58 4.412 -17.193 5.564 1.00 0.00 C ATOM 922 O ASP A 58 4.261 -16.060 6.023 1.00 0.00 O ATOM 923 CB ASP A 58 2.660 -18.533 6.746 1.00 0.00 C ATOM 924 CG ASP A 58 1.318 -19.229 6.638 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.760 -19.271 5.521 1.00 0.00 O ATOM 926 OD2 ASP A 58 0.826 -19.733 7.669 1.00 0.00 O ATOM 0 H ASP A 58 3.782 -20.139 5.187 1.00 0.00 H new ATOM 0 HA ASP A 58 2.447 -17.599 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.369 -19.193 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.557 -17.646 7.371 1.00 0.00 H new ATOM 931 N VAL A 59 5.597 -17.675 5.203 1.00 0.00 N ATOM 932 CA VAL A 59 6.814 -16.883 5.327 1.00 0.00 C ATOM 933 C VAL A 59 6.851 -15.766 4.289 1.00 0.00 C ATOM 934 O VAL A 59 6.619 -15.998 3.103 1.00 0.00 O ATOM 935 CB VAL A 59 8.072 -17.758 5.168 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.325 -16.895 5.153 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.142 -18.795 6.279 1.00 0.00 C ATOM 0 H VAL A 59 5.740 -18.610 4.822 1.00 0.00 H new ATOM 0 HA VAL A 59 6.807 -16.447 6.326 1.00 0.00 H new ATOM 0 HB VAL A 59 8.011 -18.283 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.203 -17.531 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.274 -16.194 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.396 -16.341 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.037 -19.405 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.180 -18.291 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.259 -19.433 6.237 1.00 0.00 H new ATOM 947 N LYS A 60 7.145 -14.553 4.744 1.00 0.00 N ATOM 948 CA LYS A 60 7.215 -13.399 3.856 1.00 0.00 C ATOM 949 C LYS A 60 8.371 -13.539 2.871 1.00 0.00 C ATOM 950 O LYS A 60 9.313 -14.296 3.107 1.00 0.00 O ATOM 951 CB LYS A 60 7.378 -12.113 4.670 1.00 0.00 C ATOM 952 CG LYS A 60 6.665 -12.147 6.011 1.00 0.00 C ATOM 953 CD LYS A 60 6.008 -10.814 6.327 1.00 0.00 C ATOM 954 CE LYS A 60 4.518 -10.975 6.590 1.00 0.00 C ATOM 955 NZ LYS A 60 4.251 -11.537 7.942 1.00 0.00 N ATOM 0 H LYS A 60 7.339 -14.344 5.723 1.00 0.00 H new ATOM 0 HA LYS A 60 6.284 -13.350 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.440 -11.931 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.998 -11.274 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.910 -12.933 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.378 -12.398 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.487 -10.369 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.159 -10.126 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.026 -10.007 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.084 -11.628 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.225 -11.631 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.699 -12.472 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.642 -10.901 8.666 1.00 0.00 H new ATOM 969 N LEU A 61 8.293 -12.805 1.767 1.00 0.00 N ATOM 970 CA LEU A 61 9.334 -12.846 0.746 1.00 0.00 C ATOM 971 C LEU A 61 10.612 -12.177 1.243 1.00 0.00 C ATOM 972 O LEU A 61 11.636 -12.832 1.429 1.00 0.00 O ATOM 973 CB LEU A 61 8.850 -12.160 -0.533 1.00 0.00 C ATOM 974 CG LEU A 61 7.719 -12.864 -1.285 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.021 -14.347 -1.436 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.393 -12.657 -0.569 1.00 0.00 C ATOM 0 H LEU A 61 7.520 -12.174 1.556 1.00 0.00 H new ATOM 0 HA LEU A 61 9.554 -13.891 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.519 -11.153 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.699 -12.055 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 61 7.643 -12.427 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.206 -14.831 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.949 -14.474 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.125 -14.799 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.600 -13.165 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.456 -13.067 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.172 -11.591 -0.514 1.00 0.00 H new ATOM 988 N GLY A 62 10.542 -10.866 1.457 1.00 0.00 N ATOM 989 CA GLY A 62 11.699 -10.130 1.933 1.00 0.00 C ATOM 990 C GLY A 62 12.264 -10.705 3.216 1.00 0.00 C ATOM 991 O GLY A 62 13.367 -10.348 3.631 1.00 0.00 O ATOM 0 H GLY A 62 9.706 -10.301 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.472 -10.137 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.421 -9.089 2.096 1.00 0.00 H new ATOM 995 N ALA A 63 11.507 -11.596 3.848 1.00 0.00 N ATOM 996 CA ALA A 63 11.940 -12.222 5.091 1.00 0.00 C ATOM 997 C ALA A 63 13.242 -12.991 4.895 1.00 0.00 C ATOM 998 O ALA A 63 14.250 -12.700 5.540 1.00 0.00 O ATOM 999 CB ALA A 63 10.854 -13.145 5.623 1.00 0.00 C ATOM 0 H ALA A 63 10.591 -11.900 3.519 1.00 0.00 H new ATOM 0 HA ALA A 63 12.122 -11.434 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.191 -13.606 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.948 -12.570 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.644 -13.922 4.888 1.00 0.00 H new ATOM 1005 N LEU A 64 13.213 -13.975 4.003 1.00 0.00 N ATOM 1006 CA LEU A 64 14.392 -14.787 3.722 1.00 0.00 C ATOM 1007 C LEU A 64 14.729 -14.763 2.235 1.00 0.00 C ATOM 1008 O LEU A 64 15.898 -14.785 1.851 1.00 0.00 O ATOM 1009 CB LEU A 64 14.163 -16.228 4.182 1.00 0.00 C ATOM 1010 CG LEU A 64 12.706 -16.648 4.375 1.00 0.00 C ATOM 1011 CD1 LEU A 64 11.999 -16.754 3.032 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.626 -17.968 5.127 1.00 0.00 C ATOM 0 H LEU A 64 12.387 -14.230 3.462 1.00 0.00 H new ATOM 0 HA LEU A 64 15.233 -14.365 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.620 -16.898 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.690 -16.375 5.124 1.00 0.00 H new ATOM 0 HG LEU A 64 12.203 -15.884 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.963 -17.054 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.025 -15.787 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.502 -17.497 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.581 -18.251 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.145 -18.741 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.095 -17.859 6.105 1.00 0.00 H new ATOM 1024 N LYS A 65 13.695 -14.716 1.401 1.00 0.00 N ATOM 1025 CA LYS A 65 13.880 -14.685 -0.045 1.00 0.00 C ATOM 1026 C LYS A 65 14.906 -13.628 -0.441 1.00 0.00 C ATOM 1027 O LYS A 65 16.089 -13.929 -0.608 1.00 0.00 O ATOM 1028 CB LYS A 65 12.548 -14.404 -0.744 1.00 0.00 C ATOM 1029 CG LYS A 65 11.465 -15.418 -0.420 1.00 0.00 C ATOM 1030 CD LYS A 65 11.728 -16.752 -1.100 1.00 0.00 C ATOM 1031 CE LYS A 65 11.992 -17.853 -0.084 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.834 -19.208 -0.681 1.00 0.00 N ATOM 0 H LYS A 65 12.721 -14.699 1.702 1.00 0.00 H new ATOM 0 HA LYS A 65 14.250 -15.661 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.201 -13.411 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.709 -14.389 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.412 -15.563 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.497 -15.031 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.871 -17.022 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.584 -16.659 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.002 -17.746 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.306 -17.744 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.136 -19.928 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.836 -19.364 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.419 -19.280 -1.538 1.00 0.00 H new ATOM 1046 N LEU A 66 14.448 -12.390 -0.587 1.00 0.00 N ATOM 1047 CA LEU A 66 15.327 -11.288 -0.961 1.00 0.00 C ATOM 1048 C LEU A 66 14.528 -10.009 -1.191 1.00 0.00 C ATOM 1049 O LEU A 66 13.329 -9.954 -0.916 1.00 0.00 O ATOM 1050 CB LEU A 66 16.115 -11.644 -2.223 1.00 0.00 C ATOM 1051 CG LEU A 66 15.353 -12.427 -3.292 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.210 -11.595 -3.851 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.294 -12.862 -4.407 1.00 0.00 C ATOM 0 H LEU A 66 13.473 -12.124 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 66 16.024 -11.117 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.482 -10.720 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.989 -12.225 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 66 14.932 -13.320 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.679 -12.169 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.522 -11.335 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.608 -10.684 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.734 -13.418 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.745 -11.982 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.078 -13.497 -3.995 1.00 0.00 H new ATOM 1065 N LYS A 67 15.200 -8.981 -1.699 1.00 0.00 N ATOM 1066 CA LYS A 67 14.554 -7.702 -1.970 1.00 0.00 C ATOM 1067 C LYS A 67 13.476 -7.853 -3.038 1.00 0.00 C ATOM 1068 O LYS A 67 13.399 -8.863 -3.738 1.00 0.00 O ATOM 1069 CB LYS A 67 15.590 -6.669 -2.417 1.00 0.00 C ATOM 1070 CG LYS A 67 16.001 -5.704 -1.319 1.00 0.00 C ATOM 1071 CD LYS A 67 16.927 -6.367 -0.312 1.00 0.00 C ATOM 1072 CE LYS A 67 17.337 -5.401 0.789 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.064 -6.091 1.890 1.00 0.00 N ATOM 0 H LYS A 67 16.193 -9.009 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 67 14.082 -7.359 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.476 -7.190 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.186 -6.101 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.500 -4.841 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.113 -5.333 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.429 -7.231 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.816 -6.737 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.971 -4.620 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.450 -4.911 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.326 -5.399 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.451 -6.820 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.924 -6.538 1.512 1.00 0.00 H new ATOM 1087 N PRO A 68 12.625 -6.825 -3.170 1.00 0.00 N ATOM 1088 CA PRO A 68 11.537 -6.819 -4.153 1.00 0.00 C ATOM 1089 C PRO A 68 12.050 -6.705 -5.585 1.00 0.00 C ATOM 1090 O PRO A 68 11.858 -7.609 -6.397 1.00 0.00 O ATOM 1091 CB PRO A 68 10.725 -5.578 -3.776 1.00 0.00 C ATOM 1092 CG PRO A 68 11.697 -4.683 -3.089 1.00 0.00 C ATOM 1093 CD PRO A 68 12.658 -5.589 -2.370 1.00 0.00 C ATOM 0 HA PRO A 68 10.962 -7.745 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.301 -5.099 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.892 -5.834 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.220 -4.051 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.189 -4.019 -2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.660 -5.162 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.348 -5.768 -1.341 1.00 0.00 H new ATOM 1101 N ASN A 69 12.704 -5.588 -5.887 1.00 0.00 N ATOM 1102 CA ASN A 69 13.245 -5.356 -7.221 1.00 0.00 C ATOM 1103 C ASN A 69 14.205 -6.472 -7.620 1.00 0.00 C ATOM 1104 O ASN A 69 14.453 -6.699 -8.805 1.00 0.00 O ATOM 1105 CB ASN A 69 13.963 -4.006 -7.275 1.00 0.00 C ATOM 1106 CG ASN A 69 13.178 -2.905 -6.588 1.00 0.00 C ATOM 1107 OD1 ASN A 69 11.947 -2.924 -6.570 1.00 0.00 O ATOM 1108 ND2 ASN A 69 13.889 -1.939 -6.018 1.00 0.00 N ATOM 0 H ASN A 69 12.872 -4.830 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 69 12.414 -5.346 -7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.941 -4.099 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.135 -3.731 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.416 -1.172 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.908 -1.964 -6.058 1.00 0.00 H new ATOM 1115 N THR A 70 14.744 -7.167 -6.623 1.00 0.00 N ATOM 1116 CA THR A 70 15.677 -8.259 -6.870 1.00 0.00 C ATOM 1117 C THR A 70 14.977 -9.443 -7.527 1.00 0.00 C ATOM 1118 O THR A 70 13.795 -9.690 -7.287 1.00 0.00 O ATOM 1119 CB THR A 70 16.345 -8.732 -5.565 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.057 -7.648 -4.958 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.300 -9.885 -5.833 1.00 0.00 C ATOM 0 H THR A 70 14.550 -6.993 -5.637 1.00 0.00 H new ATOM 0 HA THR A 70 16.443 -7.874 -7.544 1.00 0.00 H new ATOM 0 HB THR A 70 15.564 -9.078 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.676 -8.000 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.760 -10.202 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.750 -10.719 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.076 -9.561 -6.527 1.00 0.00 H new ATOM 1129 N LYS A 71 15.714 -10.174 -8.356 1.00 0.00 N ATOM 1130 CA LYS A 71 15.165 -11.334 -9.048 1.00 0.00 C ATOM 1131 C LYS A 71 15.522 -12.624 -8.315 1.00 0.00 C ATOM 1132 O LYS A 71 16.609 -12.746 -7.749 1.00 0.00 O ATOM 1133 CB LYS A 71 15.686 -11.391 -10.485 1.00 0.00 C ATOM 1134 CG LYS A 71 15.646 -10.052 -11.200 1.00 0.00 C ATOM 1135 CD LYS A 71 16.994 -9.352 -11.150 1.00 0.00 C ATOM 1136 CE LYS A 71 17.835 -9.673 -12.376 1.00 0.00 C ATOM 1137 NZ LYS A 71 19.278 -9.385 -12.149 1.00 0.00 N ATOM 0 H LYS A 71 16.694 -9.983 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 71 14.080 -11.235 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.712 -11.758 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.094 -12.112 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.351 -10.202 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.888 -9.417 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.843 -8.275 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.530 -9.656 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.711 -10.724 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.477 -9.090 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.817 -9.617 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.400 -8.377 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.626 -9.960 -11.355 1.00 0.00 H new ATOM 1151 N ILE A 72 14.602 -13.582 -8.330 1.00 0.00 N ATOM 1152 CA ILE A 72 14.822 -14.862 -7.669 1.00 0.00 C ATOM 1153 C ILE A 72 14.804 -16.010 -8.673 1.00 0.00 C ATOM 1154 O ILE A 72 14.228 -15.893 -9.754 1.00 0.00 O ATOM 1155 CB ILE A 72 13.760 -15.126 -6.585 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.797 -13.941 -6.484 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.426 -15.391 -5.243 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.809 -14.061 -5.345 1.00 0.00 C ATOM 0 H ILE A 72 13.697 -13.496 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 72 15.804 -14.809 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 72 13.189 -16.011 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.373 -13.024 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.249 -13.848 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.662 -15.576 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.074 -16.264 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.020 -14.524 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.158 -13.187 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.207 -14.960 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.349 -14.123 -4.400 1.00 0.00 H new ATOM 1170 N MET A 73 15.437 -17.119 -8.307 1.00 0.00 N ATOM 1171 CA MET A 73 15.491 -18.290 -9.175 1.00 0.00 C ATOM 1172 C MET A 73 14.571 -19.392 -8.659 1.00 0.00 C ATOM 1173 O MET A 73 14.460 -19.606 -7.452 1.00 0.00 O ATOM 1174 CB MET A 73 16.926 -18.812 -9.274 1.00 0.00 C ATOM 1175 CG MET A 73 17.722 -18.188 -10.409 1.00 0.00 C ATOM 1176 SD MET A 73 19.403 -18.833 -10.514 1.00 0.00 S ATOM 1177 CE MET A 73 19.316 -19.758 -12.045 1.00 0.00 C ATOM 0 H MET A 73 15.920 -17.232 -7.416 1.00 0.00 H new ATOM 0 HA MET A 73 15.151 -17.992 -10.167 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.440 -18.620 -8.332 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.902 -19.893 -9.409 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.207 -18.371 -11.352 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.759 -17.107 -10.270 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.283 -20.218 -12.248 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.556 -20.535 -11.958 1.00 0.00 H new ATOM 0 HE3 MET A 73 19.056 -19.085 -12.862 1.00 0.00 H new ATOM 1187 N MET A 74 13.915 -20.089 -9.581 1.00 0.00 N ATOM 1188 CA MET A 74 13.006 -21.169 -9.218 1.00 0.00 C ATOM 1189 C MET A 74 13.668 -22.528 -9.421 1.00 0.00 C ATOM 1190 O MET A 74 14.115 -22.853 -10.520 1.00 0.00 O ATOM 1191 CB MET A 74 11.723 -21.085 -10.048 1.00 0.00 C ATOM 1192 CG MET A 74 10.573 -20.405 -9.322 1.00 0.00 C ATOM 1193 SD MET A 74 8.989 -20.649 -10.148 1.00 0.00 S ATOM 1194 CE MET A 74 8.013 -21.336 -8.813 1.00 0.00 C ATOM 0 H MET A 74 13.996 -19.925 -10.584 1.00 0.00 H new ATOM 0 HA MET A 74 12.756 -21.060 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.931 -20.542 -10.970 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.418 -22.092 -10.333 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.511 -20.792 -8.305 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.778 -19.337 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.024 -20.878 -8.812 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.914 -22.413 -8.951 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.506 -21.136 -7.862 1.00 0.00 H new ATOM 1204 N MET A 75 13.727 -23.318 -8.353 1.00 0.00 N ATOM 1205 CA MET A 75 14.335 -24.642 -8.415 1.00 0.00 C ATOM 1206 C MET A 75 13.298 -25.729 -8.151 1.00 0.00 C ATOM 1207 O MET A 75 12.815 -25.880 -7.029 1.00 0.00 O ATOM 1208 CB MET A 75 15.475 -24.752 -7.402 1.00 0.00 C ATOM 1209 CG MET A 75 16.407 -23.550 -7.403 1.00 0.00 C ATOM 1210 SD MET A 75 18.130 -24.008 -7.135 1.00 0.00 S ATOM 1211 CE MET A 75 18.891 -23.341 -8.613 1.00 0.00 C ATOM 0 H MET A 75 13.361 -23.064 -7.435 1.00 0.00 H new ATOM 0 HA MET A 75 14.736 -24.783 -9.419 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.053 -24.874 -6.404 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.054 -25.651 -7.615 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.318 -23.027 -8.355 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.095 -22.853 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.962 -23.545 -8.595 1.00 0.00 H new ATOM 0 HE2 MET A 75 18.448 -23.808 -9.493 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.727 -22.264 -8.652 1.00 0.00 H new ATOM 1221 N GLY A 76 12.958 -26.483 -9.192 1.00 0.00 N ATOM 1222 CA GLY A 76 11.980 -27.546 -9.050 1.00 0.00 C ATOM 1223 C GLY A 76 11.382 -27.963 -10.379 1.00 0.00 C ATOM 1224 O GLY A 76 12.030 -27.860 -11.421 1.00 0.00 O ATOM 0 H GLY A 76 13.342 -26.377 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.451 -28.409 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.183 -27.216 -8.384 1.00 0.00 H new ATOM 1228 N THR A 77 10.140 -28.439 -10.344 1.00 0.00 N ATOM 1229 CA THR A 77 9.455 -28.876 -11.553 1.00 0.00 C ATOM 1230 C THR A 77 8.017 -28.371 -11.584 1.00 0.00 C ATOM 1231 O THR A 77 7.434 -28.066 -10.544 1.00 0.00 O ATOM 1232 CB THR A 77 9.450 -30.412 -11.672 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.107 -30.799 -13.007 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.464 -31.027 -10.690 1.00 0.00 C ATOM 0 H THR A 77 9.589 -28.531 -9.491 1.00 0.00 H new ATOM 0 HA THR A 77 10.003 -28.455 -12.396 1.00 0.00 H new ATOM 0 HB THR A 77 10.450 -30.776 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.108 -31.777 -13.075 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.478 -32.112 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.746 -30.755 -9.673 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.461 -30.655 -10.901 1.00 0.00 H new