USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 798 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 93 TYR OH : rot -149:sc= -11! USER MOD Set 1.2: A 94 HIS : no HE2:sc= -28.1! C(o=-39!,f=-41!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -2.87! C(o=-14!,f=-11!) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -8.19! C(o=-11!,f=-11!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ 147:sc= -8.51! (180deg=-11.3!) USER MOD Set 3.2: A 82 TYR OH : rot -33:sc= -2.65! USER MOD Set 4.1: A 41 THR OG1 : rot 140:sc= -5.84! USER MOD Set 4.2: A 67 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.00539) USER MOD Set 5.1: A 62 LYS NZ :NH3+ 170:sc= 0.319! (180deg=-1.35!) USER MOD Set 5.2: A 64 TYR OH : rot 180:sc= 0.239 USER MOD Set 6.1: A 44 THR OG1 : rot 70:sc= -4.64! USER MOD Set 6.2: A 46 THR OG1 : rot 65:sc= -4.78! USER MOD Set 6.3: A 65 HIS : no HE2:sc= -32.6! C(o=-42!,f=-53!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -9.57! C(o=-44!,f=-40!) USER MOD Set 7.2: A 35 MET CE :methyl -157:sc= -30.1! (180deg=-34.1!) USER MOD Single : A 8 THR OG1 : rot 13:sc= 0.949! USER MOD Single : A 9 TYR OH : rot 165:sc= -1.41! USER MOD Single : A 12 TYR OH : rot 126:sc= -1.81! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -4.39! (180deg=-4.94!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -85:sc= -3.52! USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -4.79! (180deg=-5.4!) USER MOD Single : A 39 SER OG : rot 177:sc= -0.157 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -30:sc= -17.4! USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.584 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.246 (180deg=-1.06) USER MOD Single : A 60 CYS SG : rot 91:sc= 0.861 USER MOD Single : A 63 HIS : no HE2:sc= -23.5! C(o=-24!,f=-25!) USER MOD Single : A 69 THR OG1 : rot -117:sc= -2.25! USER MOD Single : A 70 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -61:sc= 0.948 USER MOD Single : A 77 TYR OH : rot 111:sc= -0.982! USER MOD Single : A 86 SER OG : rot 180:sc= -2.52! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot -48:sc= 1.02 USER MOD Single : A 107 TYR OH : rot -71:sc= 0.692 USER MOD Single : A 110 CYS SG : rot 31:sc= 0.298! USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.586 8.564 5.072 1.00 0.00 N ATOM 36 CA LEU A 6 -5.569 7.734 5.708 1.00 0.00 C ATOM 37 C LEU A 6 -4.274 8.501 5.892 1.00 0.00 C ATOM 38 O LEU A 6 -3.238 7.918 6.212 1.00 0.00 O ATOM 39 CB LEU A 6 -5.294 6.492 4.869 1.00 0.00 C ATOM 40 CG LEU A 6 -6.031 6.435 3.543 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.145 5.803 2.485 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.324 5.663 3.707 1.00 0.00 C ATOM 0 HA LEU A 6 -5.950 7.440 6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.223 6.434 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.560 5.611 5.453 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.276 7.446 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.681 5.766 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.239 6.397 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.878 4.791 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.849 5.625 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.103 4.649 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.952 6.159 4.447 1.00 0.00 H new ATOM 54 N GLU A 7 -4.329 9.803 5.678 1.00 0.00 N ATOM 55 CA GLU A 7 -3.145 10.637 5.814 1.00 0.00 C ATOM 56 C GLU A 7 -2.586 10.577 7.232 1.00 0.00 C ATOM 57 O GLU A 7 -2.207 11.599 7.804 1.00 0.00 O ATOM 58 CB GLU A 7 -3.462 12.084 5.432 1.00 0.00 C ATOM 59 CG GLU A 7 -4.691 12.642 6.129 1.00 0.00 C ATOM 60 CD GLU A 7 -4.460 12.894 7.606 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.520 11.925 8.391 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.218 14.062 7.978 1.00 0.00 O ATOM 0 H GLU A 7 -5.175 10.305 5.411 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.386 10.251 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.603 12.711 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.608 12.142 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.986 13.574 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.520 11.945 6.009 1.00 0.00 H new ATOM 69 N THR A 8 -2.534 9.373 7.792 1.00 0.00 N ATOM 70 CA THR A 8 -2.018 9.179 9.140 1.00 0.00 C ATOM 71 C THR A 8 -1.458 7.768 9.332 1.00 0.00 C ATOM 72 O THR A 8 -1.079 7.395 10.442 1.00 0.00 O ATOM 73 CB THR A 8 -3.117 9.444 10.170 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.794 8.848 11.413 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.472 8.919 9.747 1.00 0.00 C ATOM 0 H THR A 8 -2.843 8.517 7.332 1.00 0.00 H new ATOM 0 HA THR A 8 -1.203 9.888 9.286 1.00 0.00 H new ATOM 0 HB THR A 8 -3.176 10.529 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.855 8.566 11.407 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.206 9.140 10.522 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.773 9.398 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.414 7.841 9.599 1.00 0.00 H new ATOM 83 N TYR A 9 -1.407 6.981 8.256 1.00 0.00 N ATOM 84 CA TYR A 9 -0.893 5.620 8.342 1.00 0.00 C ATOM 85 C TYR A 9 0.590 5.568 8.030 1.00 0.00 C ATOM 86 O TYR A 9 1.038 6.069 6.998 1.00 0.00 O ATOM 87 CB TYR A 9 -1.656 4.700 7.393 1.00 0.00 C ATOM 88 CG TYR A 9 -3.110 4.589 7.772 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.511 3.721 8.777 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.077 5.371 7.150 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.834 3.628 9.152 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.405 5.285 7.525 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.777 4.414 8.526 1.00 0.00 C ATOM 94 OH TYR A 9 -7.098 4.327 8.901 1.00 0.00 O ATOM 0 H TYR A 9 -1.713 7.262 7.325 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.038 5.277 9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.574 5.079 6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.201 3.710 7.402 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.774 3.108 9.274 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.787 6.054 6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.130 2.943 9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.148 5.898 7.036 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.590 5.096 8.546 1.00 0.00 H new ATOM 104 N GLU A 10 1.349 4.946 8.920 1.00 0.00 N ATOM 105 CA GLU A 10 2.780 4.817 8.725 1.00 0.00 C ATOM 106 C GLU A 10 3.066 4.477 7.275 1.00 0.00 C ATOM 107 O GLU A 10 4.164 4.707 6.775 1.00 0.00 O ATOM 108 CB GLU A 10 3.339 3.717 9.628 1.00 0.00 C ATOM 109 CG GLU A 10 4.481 2.935 8.999 1.00 0.00 C ATOM 110 CD GLU A 10 5.687 2.829 9.912 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.566 2.201 10.985 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.752 3.374 9.554 1.00 0.00 O ATOM 0 H GLU A 10 0.997 4.525 9.780 1.00 0.00 H new ATOM 0 HA GLU A 10 3.259 5.762 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.686 4.164 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.536 3.027 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.134 1.934 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.777 3.417 8.067 1.00 0.00 H new ATOM 119 N TRP A 11 2.068 3.906 6.612 1.00 0.00 N ATOM 120 CA TRP A 11 2.203 3.502 5.226 1.00 0.00 C ATOM 121 C TRP A 11 1.681 4.554 4.252 1.00 0.00 C ATOM 122 O TRP A 11 2.222 4.719 3.162 1.00 0.00 O ATOM 123 CB TRP A 11 1.446 2.205 5.015 1.00 0.00 C ATOM 124 CG TRP A 11 0.100 2.186 5.686 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.218 1.681 6.919 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.119 2.673 5.131 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.569 1.827 7.152 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.141 2.436 6.067 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.440 3.290 3.929 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.465 2.794 5.828 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.751 3.643 3.689 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.749 3.395 4.634 1.00 0.00 C ATOM 0 H TRP A 11 1.153 3.713 7.019 1.00 0.00 H new ATOM 0 HA TRP A 11 3.266 3.374 5.023 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.314 2.039 3.946 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.045 1.377 5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.485 1.235 7.607 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.062 1.530 7.994 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.675 3.490 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.238 2.604 6.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.010 4.119 2.755 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.767 3.684 4.417 1.00 0.00 H new ATOM 143 N TYR A 12 0.613 5.245 4.623 1.00 0.00 N ATOM 144 CA TYR A 12 0.037 6.246 3.736 1.00 0.00 C ATOM 145 C TYR A 12 0.981 7.413 3.501 1.00 0.00 C ATOM 146 O TYR A 12 1.640 7.899 4.420 1.00 0.00 O ATOM 147 CB TYR A 12 -1.284 6.775 4.271 1.00 0.00 C ATOM 148 CG TYR A 12 -1.987 7.655 3.268 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.694 7.099 2.214 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.932 9.038 3.364 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.331 7.895 1.285 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.567 9.843 2.440 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.266 9.266 1.402 1.00 0.00 C ATOM 154 OH TYR A 12 -3.901 10.064 0.477 1.00 0.00 O ATOM 0 H TYR A 12 0.134 5.135 5.517 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.137 5.741 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.930 5.938 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.105 7.339 5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.747 6.025 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.383 9.492 4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.878 7.445 0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.516 10.918 2.530 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.498 10.689 0.939 1.00 0.00 H new ATOM 164 N ASN A 13 1.022 7.864 2.254 1.00 0.00 N ATOM 165 CA ASN A 13 1.861 8.985 1.865 1.00 0.00 C ATOM 166 C ASN A 13 1.139 9.864 0.851 1.00 0.00 C ATOM 167 O ASN A 13 1.131 9.569 -0.344 1.00 0.00 O ATOM 168 CB ASN A 13 3.174 8.482 1.275 1.00 0.00 C ATOM 169 CG ASN A 13 4.356 9.320 1.719 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.365 8.665 2.273 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.357 10.542 1.573 1.00 0.00 N flip ATOM 0 H ASN A 13 0.478 7.465 1.490 1.00 0.00 H new ATOM 0 HA ASN A 13 2.076 9.579 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.332 7.446 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.110 8.494 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.557 11.005 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.158 11.092 1.884 1.00 0.00 H new ATOM 178 N LYS A 14 0.526 10.941 1.330 1.00 0.00 N ATOM 179 CA LYS A 14 -0.198 11.849 0.451 1.00 0.00 C ATOM 180 C LYS A 14 0.756 12.548 -0.511 1.00 0.00 C ATOM 181 O LYS A 14 1.962 12.610 -0.272 1.00 0.00 O ATOM 182 CB LYS A 14 -0.966 12.891 1.259 1.00 0.00 C ATOM 183 CG LYS A 14 -2.463 12.637 1.311 1.00 0.00 C ATOM 184 CD LYS A 14 -3.227 13.629 0.448 1.00 0.00 C ATOM 185 CE LYS A 14 -3.822 14.751 1.283 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.938 16.018 0.509 1.00 0.00 N ATOM 0 H LYS A 14 0.516 11.205 2.315 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.908 11.255 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.574 12.912 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.788 13.876 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.673 11.622 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.810 12.708 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.559 14.049 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.023 13.110 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.807 14.453 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.200 14.918 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.348 16.758 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.995 16.316 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.552 15.866 -0.316 1.00 0.00 H new ATOM 200 N SER A 15 0.205 13.078 -1.596 1.00 0.00 N ATOM 201 CA SER A 15 0.997 13.784 -2.601 1.00 0.00 C ATOM 202 C SER A 15 2.137 12.917 -3.141 1.00 0.00 C ATOM 203 O SER A 15 2.777 13.273 -4.131 1.00 0.00 O ATOM 204 CB SER A 15 1.565 15.076 -2.011 1.00 0.00 C ATOM 205 OG SER A 15 1.181 16.201 -2.782 1.00 0.00 O ATOM 0 H SER A 15 -0.792 13.033 -1.805 1.00 0.00 H new ATOM 0 HA SER A 15 0.334 14.021 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.214 15.197 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.652 15.013 -1.970 1.00 0.00 H new ATOM 0 HG SER A 15 1.555 17.014 -2.383 1.00 0.00 H new ATOM 211 N ILE A 16 2.396 11.789 -2.486 1.00 0.00 N ATOM 212 CA ILE A 16 3.464 10.891 -2.900 1.00 0.00 C ATOM 213 C ILE A 16 3.239 10.336 -4.299 1.00 0.00 C ATOM 214 O ILE A 16 2.124 10.345 -4.819 1.00 0.00 O ATOM 215 CB ILE A 16 3.593 9.706 -1.930 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.907 9.780 -1.169 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.500 8.388 -2.681 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.469 8.417 -0.830 1.00 0.00 C ATOM 0 H ILE A 16 1.878 11.476 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 16 4.378 11.485 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 16 2.771 9.760 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.636 10.330 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.757 10.345 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.594 7.561 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.537 8.326 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.302 8.331 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.407 8.535 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.756 7.874 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.649 7.859 -1.749 1.00 0.00 H new ATOM 230 N SER A 17 4.317 9.832 -4.886 1.00 0.00 N ATOM 231 CA SER A 17 4.272 9.240 -6.213 1.00 0.00 C ATOM 232 C SER A 17 4.840 7.827 -6.168 1.00 0.00 C ATOM 233 O SER A 17 5.075 7.281 -5.091 1.00 0.00 O ATOM 234 CB SER A 17 5.056 10.095 -7.208 1.00 0.00 C ATOM 235 OG SER A 17 4.420 10.117 -8.474 1.00 0.00 O ATOM 0 H SER A 17 5.242 9.823 -4.457 1.00 0.00 H new ATOM 0 HA SER A 17 3.234 9.196 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.147 11.112 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.067 9.702 -7.312 1.00 0.00 H new ATOM 0 HG SER A 17 4.940 10.672 -9.092 1.00 0.00 H new ATOM 241 N ARG A 18 5.059 7.237 -7.334 1.00 0.00 N ATOM 242 CA ARG A 18 5.600 5.887 -7.407 1.00 0.00 C ATOM 243 C ARG A 18 7.089 5.868 -7.065 1.00 0.00 C ATOM 244 O ARG A 18 7.568 4.954 -6.398 1.00 0.00 O ATOM 245 CB ARG A 18 5.376 5.299 -8.803 1.00 0.00 C ATOM 246 CG ARG A 18 6.409 5.741 -9.826 1.00 0.00 C ATOM 247 CD ARG A 18 5.880 6.866 -10.702 1.00 0.00 C ATOM 248 NE ARG A 18 6.504 8.147 -10.385 1.00 0.00 N ATOM 249 CZ ARG A 18 6.887 9.028 -11.303 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.709 8.767 -12.591 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.447 10.172 -10.934 1.00 0.00 N ATOM 0 H ARG A 18 4.872 7.669 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 18 5.074 5.276 -6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.387 4.211 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.385 5.586 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.312 6.072 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.690 4.893 -10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.060 6.625 -11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.801 6.947 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 18 6.655 8.379 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.277 7.889 -12.878 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.004 9.445 -13.294 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.584 10.377 -9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.740 10.847 -11.640 1.00 0.00 H new ATOM 265 N ASP A 19 7.817 6.875 -7.537 1.00 0.00 N ATOM 266 CA ASP A 19 9.255 6.964 -7.295 1.00 0.00 C ATOM 267 C ASP A 19 9.579 7.354 -5.851 1.00 0.00 C ATOM 268 O ASP A 19 10.477 6.781 -5.235 1.00 0.00 O ATOM 269 CB ASP A 19 9.886 7.974 -8.254 1.00 0.00 C ATOM 270 CG ASP A 19 10.352 7.331 -9.546 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.448 6.733 -9.550 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.620 7.426 -10.554 1.00 0.00 O ATOM 0 H ASP A 19 7.435 7.642 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 19 9.673 5.972 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.162 8.757 -8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.733 8.455 -7.765 1.00 0.00 H new ATOM 277 N LYS A 20 8.864 8.343 -5.325 1.00 0.00 N ATOM 278 CA LYS A 20 9.101 8.818 -3.964 1.00 0.00 C ATOM 279 C LYS A 20 8.974 7.697 -2.937 1.00 0.00 C ATOM 280 O LYS A 20 9.858 7.506 -2.095 1.00 0.00 O ATOM 281 CB LYS A 20 8.126 9.943 -3.616 1.00 0.00 C ATOM 282 CG LYS A 20 8.107 11.068 -4.636 1.00 0.00 C ATOM 283 CD LYS A 20 7.220 10.723 -5.820 1.00 0.00 C ATOM 284 CE LYS A 20 8.010 10.679 -7.119 1.00 0.00 C ATOM 285 NZ LYS A 20 9.480 10.685 -6.880 1.00 0.00 N ATOM 0 H LYS A 20 8.117 8.831 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 20 10.124 9.193 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.122 9.528 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.390 10.352 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.749 11.983 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.121 11.264 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.745 9.757 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.422 11.460 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.738 9.784 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.740 11.536 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.978 10.501 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.767 11.613 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.723 9.945 -6.191 1.00 0.00 H new ATOM 299 N ALA A 21 7.869 6.964 -2.993 1.00 0.00 N ATOM 300 CA ALA A 21 7.646 5.883 -2.045 1.00 0.00 C ATOM 301 C ALA A 21 8.796 4.878 -2.074 1.00 0.00 C ATOM 302 O ALA A 21 9.265 4.416 -1.032 1.00 0.00 O ATOM 303 CB ALA A 21 6.316 5.197 -2.297 1.00 0.00 C ATOM 0 H ALA A 21 7.123 7.096 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 21 7.611 6.321 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.178 4.394 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.508 5.921 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.306 4.782 -3.305 1.00 0.00 H new ATOM 309 N GLU A 22 9.272 4.555 -3.262 1.00 0.00 N ATOM 310 CA GLU A 22 10.384 3.629 -3.385 1.00 0.00 C ATOM 311 C GLU A 22 11.579 4.178 -2.614 1.00 0.00 C ATOM 312 O GLU A 22 12.148 3.506 -1.747 1.00 0.00 O ATOM 313 CB GLU A 22 10.742 3.431 -4.855 1.00 0.00 C ATOM 314 CG GLU A 22 9.546 3.078 -5.721 1.00 0.00 C ATOM 315 CD GLU A 22 8.494 2.289 -4.968 1.00 0.00 C ATOM 316 OE1 GLU A 22 8.085 2.736 -3.876 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.076 1.225 -5.472 1.00 0.00 O ATOM 0 H GLU A 22 8.912 4.914 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 22 10.102 2.662 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.201 4.343 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.488 2.640 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.100 3.994 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.883 2.499 -6.581 1.00 0.00 H new ATOM 324 N LYS A 23 11.931 5.422 -2.927 1.00 0.00 N ATOM 325 CA LYS A 23 13.036 6.101 -2.268 1.00 0.00 C ATOM 326 C LYS A 23 12.778 6.217 -0.773 1.00 0.00 C ATOM 327 O LYS A 23 13.648 5.908 0.041 1.00 0.00 O ATOM 328 CB LYS A 23 13.230 7.495 -2.862 1.00 0.00 C ATOM 329 CG LYS A 23 12.004 8.381 -2.731 1.00 0.00 C ATOM 330 CD LYS A 23 12.364 9.855 -2.784 1.00 0.00 C ATOM 331 CE LYS A 23 11.640 10.634 -1.698 1.00 0.00 C ATOM 332 NZ LYS A 23 10.947 11.834 -2.244 1.00 0.00 N ATOM 0 H LYS A 23 11.461 5.981 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 23 13.940 5.513 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.073 7.978 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.490 7.400 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.301 8.150 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.498 8.164 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.441 9.974 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.105 10.261 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.913 9.986 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.355 10.943 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.465 12.338 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.644 12.465 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.247 11.538 -2.954 1.00 0.00 H new ATOM 346 N LEU A 24 11.576 6.663 -0.414 1.00 0.00 N ATOM 347 CA LEU A 24 11.224 6.811 0.992 1.00 0.00 C ATOM 348 C LEU A 24 11.197 5.448 1.673 1.00 0.00 C ATOM 349 O LEU A 24 11.625 5.313 2.820 1.00 0.00 O ATOM 350 CB LEU A 24 9.880 7.531 1.150 1.00 0.00 C ATOM 351 CG LEU A 24 8.708 6.646 1.568 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.436 5.617 0.491 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.994 5.972 2.901 1.00 0.00 C ATOM 0 H LEU A 24 10.839 6.925 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 24 11.985 7.424 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.996 8.324 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.631 8.012 0.204 1.00 0.00 H new ATOM 0 HG LEU A 24 7.821 7.267 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.599 4.987 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.191 6.123 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.322 4.999 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.147 5.346 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.888 5.355 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.152 6.732 3.666 1.00 0.00 H new ATOM 365 N LEU A 25 10.717 4.429 0.958 1.00 0.00 N ATOM 366 CA LEU A 25 10.675 3.080 1.511 1.00 0.00 C ATOM 367 C LEU A 25 12.087 2.524 1.627 1.00 0.00 C ATOM 368 O LEU A 25 12.483 2.015 2.676 1.00 0.00 O ATOM 369 CB LEU A 25 9.845 2.140 0.637 1.00 0.00 C ATOM 370 CG LEU A 25 8.332 2.348 0.678 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.791 2.529 -0.732 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.654 1.170 1.366 1.00 0.00 C ATOM 0 H LEU A 25 10.357 4.512 0.007 1.00 0.00 H new ATOM 0 HA LEU A 25 10.210 3.142 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.179 2.247 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.059 1.114 0.937 1.00 0.00 H new ATOM 0 HG LEU A 25 8.116 3.250 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.712 2.676 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.259 3.399 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.014 1.641 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.576 1.332 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.872 0.254 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.028 1.080 2.386 1.00 0.00 H new ATOM 384 N LEU A 26 12.846 2.624 0.536 1.00 0.00 N ATOM 385 CA LEU A 26 14.216 2.129 0.517 1.00 0.00 C ATOM 386 C LEU A 26 15.008 2.704 1.683 1.00 0.00 C ATOM 387 O LEU A 26 16.031 2.151 2.087 1.00 0.00 O ATOM 388 CB LEU A 26 14.892 2.483 -0.807 1.00 0.00 C ATOM 389 CG LEU A 26 14.322 1.762 -2.028 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.942 2.761 -3.110 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.321 0.749 -2.563 1.00 0.00 C ATOM 0 H LEU A 26 12.534 3.042 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 26 14.191 1.044 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.809 3.558 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.955 2.253 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 26 13.422 1.229 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.538 2.229 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.190 3.448 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.825 3.323 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.898 0.245 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.239 1.261 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.543 0.014 -1.790 1.00 0.00 H new ATOM 403 N ASP A 27 14.520 3.813 2.227 1.00 0.00 N ATOM 404 CA ASP A 27 15.172 4.459 3.357 1.00 0.00 C ATOM 405 C ASP A 27 14.853 3.713 4.646 1.00 0.00 C ATOM 406 O ASP A 27 15.601 3.786 5.622 1.00 0.00 O ATOM 407 CB ASP A 27 14.723 5.917 3.470 1.00 0.00 C ATOM 408 CG ASP A 27 15.402 6.644 4.614 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.001 5.967 5.475 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.334 7.891 4.649 1.00 0.00 O ATOM 0 H ASP A 27 13.675 4.283 1.903 1.00 0.00 H new ATOM 0 HA ASP A 27 16.249 4.437 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.939 6.434 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.643 5.952 3.611 1.00 0.00 H new ATOM 415 N THR A 28 13.735 2.992 4.640 1.00 0.00 N ATOM 416 CA THR A 28 13.311 2.226 5.805 1.00 0.00 C ATOM 417 C THR A 28 14.117 0.940 5.935 1.00 0.00 C ATOM 418 O THR A 28 14.712 0.668 6.977 1.00 0.00 O ATOM 419 CB THR A 28 11.828 1.876 5.696 1.00 0.00 C ATOM 420 OG1 THR A 28 11.596 1.034 4.581 1.00 0.00 O ATOM 421 CG2 THR A 28 10.925 3.081 5.553 1.00 0.00 C ATOM 0 H THR A 28 13.107 2.923 3.839 1.00 0.00 H new ATOM 0 HA THR A 28 13.480 2.842 6.688 1.00 0.00 H new ATOM 0 HB THR A 28 11.585 1.377 6.634 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.478 1.581 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.888 2.752 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.041 3.728 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.194 3.632 4.652 1.00 0.00 H new ATOM 429 N GLY A 29 14.122 0.148 4.868 1.00 0.00 N ATOM 430 CA GLY A 29 14.849 -1.107 4.881 1.00 0.00 C ATOM 431 C GLY A 29 14.148 -2.163 5.713 1.00 0.00 C ATOM 432 O GLY A 29 14.771 -2.824 6.544 1.00 0.00 O ATOM 0 H GLY A 29 13.636 0.353 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.965 -1.469 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.851 -0.941 5.276 1.00 0.00 H new ATOM 436 N LYS A 30 12.845 -2.314 5.494 1.00 0.00 N ATOM 437 CA LYS A 30 12.053 -3.288 6.234 1.00 0.00 C ATOM 438 C LYS A 30 11.613 -4.431 5.338 1.00 0.00 C ATOM 439 O LYS A 30 11.643 -4.318 4.112 1.00 0.00 O ATOM 440 CB LYS A 30 10.811 -2.625 6.817 1.00 0.00 C ATOM 441 CG LYS A 30 11.080 -1.241 7.348 1.00 0.00 C ATOM 442 CD LYS A 30 10.077 -0.236 6.810 1.00 0.00 C ATOM 443 CE LYS A 30 9.799 0.867 7.817 1.00 0.00 C ATOM 444 NZ LYS A 30 10.316 0.525 9.171 1.00 0.00 N ATOM 0 H LYS A 30 12.316 -1.773 4.810 1.00 0.00 H new ATOM 0 HA LYS A 30 12.681 -3.680 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.040 -2.570 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.417 -3.247 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.037 -1.253 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.089 -0.934 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.457 0.200 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.146 -0.746 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.259 1.794 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.725 1.046 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.308 1.375 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.712 -0.206 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.289 0.167 9.091 1.00 0.00 H new ATOM 458 N GLU A 31 11.164 -5.518 5.950 1.00 0.00 N ATOM 459 CA GLU A 31 10.676 -6.651 5.188 1.00 0.00 C ATOM 460 C GLU A 31 9.227 -6.394 4.804 1.00 0.00 C ATOM 461 O GLU A 31 8.334 -6.428 5.650 1.00 0.00 O ATOM 462 CB GLU A 31 10.789 -7.941 6.004 1.00 0.00 C ATOM 463 CG GLU A 31 11.065 -9.173 5.159 1.00 0.00 C ATOM 464 CD GLU A 31 12.485 -9.682 5.318 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.426 -8.882 5.135 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.655 -10.881 5.625 1.00 0.00 O ATOM 0 H GLU A 31 11.129 -5.636 6.963 1.00 0.00 H new ATOM 0 HA GLU A 31 11.281 -6.771 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.587 -7.828 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.864 -8.092 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.367 -9.963 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.882 -8.938 4.110 1.00 0.00 H new ATOM 473 N GLY A 32 9.001 -6.117 3.528 1.00 0.00 N ATOM 474 CA GLY A 32 7.663 -5.835 3.062 1.00 0.00 C ATOM 475 C GLY A 32 7.208 -4.435 3.434 1.00 0.00 C ATOM 476 O GLY A 32 6.010 -4.186 3.564 1.00 0.00 O ATOM 0 H GLY A 32 9.723 -6.083 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.626 -5.951 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.972 -6.564 3.485 1.00 0.00 H new ATOM 480 N ALA A 33 8.160 -3.511 3.597 1.00 0.00 N ATOM 481 CA ALA A 33 7.817 -2.141 3.943 1.00 0.00 C ATOM 482 C ALA A 33 6.621 -1.706 3.126 1.00 0.00 C ATOM 483 O ALA A 33 6.560 -1.950 1.921 1.00 0.00 O ATOM 484 CB ALA A 33 8.992 -1.208 3.726 1.00 0.00 C ATOM 0 H ALA A 33 9.159 -3.689 3.495 1.00 0.00 H new ATOM 0 HA ALA A 33 7.564 -2.096 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.704 -0.191 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.828 -1.524 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.291 -1.236 2.678 1.00 0.00 H new ATOM 490 N PHE A 34 5.650 -1.111 3.794 1.00 0.00 N ATOM 491 CA PHE A 34 4.428 -0.702 3.138 1.00 0.00 C ATOM 492 C PHE A 34 4.163 0.791 3.215 1.00 0.00 C ATOM 493 O PHE A 34 4.523 1.459 4.178 1.00 0.00 O ATOM 494 CB PHE A 34 3.266 -1.433 3.773 1.00 0.00 C ATOM 495 CG PHE A 34 1.958 -0.766 3.503 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.513 -0.617 2.205 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.159 -0.309 4.532 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.303 -0.016 1.936 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.043 0.280 4.266 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.476 0.435 2.973 1.00 0.00 C ATOM 0 H PHE A 34 5.687 -0.901 4.792 1.00 0.00 H new ATOM 0 HA PHE A 34 4.540 -0.950 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.234 -2.455 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.424 -1.495 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.122 -0.977 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.488 -0.418 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.031 0.100 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.660 0.628 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.425 0.910 2.772 1.00 0.00 H new ATOM 510 N MET A 35 3.485 1.288 2.190 1.00 0.00 N ATOM 511 CA MET A 35 3.100 2.689 2.113 1.00 0.00 C ATOM 512 C MET A 35 1.893 2.835 1.206 1.00 0.00 C ATOM 513 O MET A 35 1.511 1.888 0.520 1.00 0.00 O ATOM 514 CB MET A 35 4.242 3.550 1.589 1.00 0.00 C ATOM 515 CG MET A 35 3.899 5.024 1.489 1.00 0.00 C ATOM 516 SD MET A 35 5.284 5.999 0.902 1.00 0.00 S ATOM 517 CE MET A 35 6.325 5.876 2.347 1.00 0.00 C ATOM 0 H MET A 35 3.187 0.731 1.389 1.00 0.00 H new ATOM 0 HA MET A 35 2.853 3.030 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.105 3.431 2.244 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.536 3.187 0.604 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.053 5.154 0.815 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.587 5.390 2.467 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.024 6.712 2.364 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.707 5.901 3.244 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.881 4.939 2.316 1.00 0.00 H new ATOM 527 N VAL A 36 1.298 4.017 1.190 1.00 0.00 N ATOM 528 CA VAL A 36 0.137 4.251 0.342 1.00 0.00 C ATOM 529 C VAL A 36 0.116 5.660 -0.217 1.00 0.00 C ATOM 530 O VAL A 36 0.619 6.598 0.402 1.00 0.00 O ATOM 531 CB VAL A 36 -1.181 3.984 1.082 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.367 4.348 0.206 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.247 2.530 1.496 1.00 0.00 C ATOM 0 H VAL A 36 1.593 4.820 1.746 1.00 0.00 H new ATOM 0 HA VAL A 36 0.227 3.545 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.220 4.607 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.293 4.152 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.316 5.405 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.345 3.748 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.184 2.343 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.195 1.897 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.410 2.301 2.155 1.00 0.00 H new ATOM 543 N ARG A 37 -0.468 5.798 -1.399 1.00 0.00 N ATOM 544 CA ARG A 37 -0.556 7.091 -2.055 1.00 0.00 C ATOM 545 C ARG A 37 -1.814 7.182 -2.918 1.00 0.00 C ATOM 546 O ARG A 37 -2.028 6.367 -3.815 1.00 0.00 O ATOM 547 CB ARG A 37 0.710 7.329 -2.880 1.00 0.00 C ATOM 548 CG ARG A 37 0.550 7.089 -4.369 1.00 0.00 C ATOM 549 CD ARG A 37 1.686 6.229 -4.896 1.00 0.00 C ATOM 550 NE ARG A 37 1.982 6.483 -6.306 1.00 0.00 N ATOM 551 CZ ARG A 37 1.058 6.650 -7.251 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.232 6.557 -6.958 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.428 6.896 -8.500 1.00 0.00 N ATOM 0 H ARG A 37 -0.887 5.029 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.631 7.873 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.041 8.356 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.500 6.679 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.404 6.600 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.533 8.042 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.581 6.414 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.430 5.177 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 37 2.962 6.536 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.525 6.356 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.932 6.687 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.418 6.957 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.722 7.024 -9.225 1.00 0.00 H new ATOM 567 N ASP A 38 -2.651 8.173 -2.624 1.00 0.00 N ATOM 568 CA ASP A 38 -3.900 8.371 -3.354 1.00 0.00 C ATOM 569 C ASP A 38 -3.649 8.614 -4.839 1.00 0.00 C ATOM 570 O ASP A 38 -2.631 9.192 -5.222 1.00 0.00 O ATOM 571 CB ASP A 38 -4.679 9.546 -2.760 1.00 0.00 C ATOM 572 CG ASP A 38 -5.703 10.108 -3.726 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.841 9.593 -3.750 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.368 11.062 -4.459 1.00 0.00 O ATOM 0 H ASP A 38 -2.486 8.854 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.488 7.459 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.182 9.221 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.982 10.334 -2.475 1.00 0.00 H new ATOM 579 N SER A 39 -4.589 8.171 -5.670 1.00 0.00 N ATOM 580 CA SER A 39 -4.477 8.341 -7.114 1.00 0.00 C ATOM 581 C SER A 39 -5.730 9.000 -7.688 1.00 0.00 C ATOM 582 O SER A 39 -6.079 10.120 -7.314 1.00 0.00 O ATOM 583 CB SER A 39 -4.242 6.991 -7.793 1.00 0.00 C ATOM 584 OG SER A 39 -4.051 7.147 -9.188 1.00 0.00 O ATOM 0 H SER A 39 -5.437 7.692 -5.367 1.00 0.00 H new ATOM 0 HA SER A 39 -3.625 8.992 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.369 6.508 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.094 6.336 -7.611 1.00 0.00 H new ATOM 0 HG SER A 39 -3.852 6.276 -9.590 1.00 0.00 H new ATOM 590 N ARG A 40 -6.400 8.302 -8.602 1.00 0.00 N ATOM 591 CA ARG A 40 -7.611 8.824 -9.229 1.00 0.00 C ATOM 592 C ARG A 40 -8.793 7.883 -9.012 1.00 0.00 C ATOM 593 O ARG A 40 -8.967 7.331 -7.925 1.00 0.00 O ATOM 594 CB ARG A 40 -7.382 9.035 -10.727 1.00 0.00 C ATOM 595 CG ARG A 40 -7.365 7.743 -11.528 1.00 0.00 C ATOM 596 CD ARG A 40 -8.180 7.869 -12.805 1.00 0.00 C ATOM 597 NE ARG A 40 -9.470 7.194 -12.700 1.00 0.00 N ATOM 598 CZ ARG A 40 -10.595 7.670 -13.225 1.00 0.00 C ATOM 599 NH1 ARG A 40 -10.586 8.818 -13.888 1.00 0.00 N ATOM 600 NH2 ARG A 40 -11.730 6.998 -13.087 1.00 0.00 N ATOM 0 H ARG A 40 -6.125 7.374 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.845 9.781 -8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.165 9.685 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.435 9.555 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.336 7.481 -11.776 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.763 6.931 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.340 8.923 -13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.617 7.447 -13.637 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.511 6.308 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.715 9.338 -13.996 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.450 9.182 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.741 6.114 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.592 7.365 -13.490 1.00 0.00 H new ATOM 614 N THR A 41 -9.604 7.706 -10.052 1.00 0.00 N ATOM 615 CA THR A 41 -10.770 6.832 -9.973 1.00 0.00 C ATOM 616 C THR A 41 -11.604 7.162 -8.736 1.00 0.00 C ATOM 617 O THR A 41 -11.356 8.164 -8.065 1.00 0.00 O ATOM 618 CB THR A 41 -10.324 5.368 -9.950 1.00 0.00 C ATOM 619 OG1 THR A 41 -11.221 4.557 -10.687 1.00 0.00 O ATOM 620 CG2 THR A 41 -10.214 4.791 -8.554 1.00 0.00 C ATOM 0 H THR A 41 -9.475 8.156 -10.958 1.00 0.00 H new ATOM 0 HA THR A 41 -11.392 6.994 -10.853 1.00 0.00 H new ATOM 0 HB THR A 41 -9.331 5.365 -10.400 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.715 3.891 -11.198 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.894 3.751 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.484 5.363 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.185 4.843 -8.061 1.00 0.00 H new ATOM 628 N PRO A 42 -12.613 6.331 -8.422 1.00 0.00 N ATOM 629 CA PRO A 42 -13.493 6.542 -7.266 1.00 0.00 C ATOM 630 C PRO A 42 -12.759 7.016 -6.007 1.00 0.00 C ATOM 631 O PRO A 42 -13.378 7.198 -4.959 1.00 0.00 O ATOM 632 CB PRO A 42 -14.093 5.157 -7.049 1.00 0.00 C ATOM 633 CG PRO A 42 -14.177 4.577 -8.418 1.00 0.00 C ATOM 634 CD PRO A 42 -12.994 5.121 -9.180 1.00 0.00 C ATOM 0 HA PRO A 42 -14.221 7.331 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.466 4.549 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.076 5.217 -6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.149 3.488 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.113 4.856 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.178 4.400 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.258 5.361 -10.210 1.00 0.00 H new ATOM 642 N GLY A 43 -11.449 7.226 -6.111 1.00 0.00 N ATOM 643 CA GLY A 43 -10.683 7.689 -4.968 1.00 0.00 C ATOM 644 C GLY A 43 -9.704 6.661 -4.452 1.00 0.00 C ATOM 645 O GLY A 43 -9.194 6.780 -3.338 1.00 0.00 O ATOM 0 H GLY A 43 -10.907 7.084 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.139 8.592 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.369 7.963 -4.166 1.00 0.00 H new ATOM 649 N THR A 44 -9.433 5.658 -5.267 1.00 0.00 N ATOM 650 CA THR A 44 -8.498 4.607 -4.902 1.00 0.00 C ATOM 651 C THR A 44 -7.247 5.187 -4.260 1.00 0.00 C ATOM 652 O THR A 44 -6.989 6.388 -4.338 1.00 0.00 O ATOM 653 CB THR A 44 -8.082 3.835 -6.147 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.019 2.945 -5.859 1.00 0.00 O ATOM 655 CG2 THR A 44 -7.624 4.745 -7.264 1.00 0.00 C ATOM 0 H THR A 44 -9.849 5.548 -6.192 1.00 0.00 H new ATOM 0 HA THR A 44 -8.996 3.949 -4.190 1.00 0.00 H new ATOM 0 HB THR A 44 -8.969 3.289 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.349 2.210 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.339 4.145 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.436 5.418 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.767 5.329 -6.929 1.00 0.00 H new ATOM 663 N TYR A 45 -6.457 4.312 -3.657 1.00 0.00 N ATOM 664 CA TYR A 45 -5.208 4.710 -3.032 1.00 0.00 C ATOM 665 C TYR A 45 -4.079 3.814 -3.510 1.00 0.00 C ATOM 666 O TYR A 45 -4.307 2.670 -3.905 1.00 0.00 O ATOM 667 CB TYR A 45 -5.305 4.629 -1.516 1.00 0.00 C ATOM 668 CG TYR A 45 -6.472 5.381 -0.941 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.767 5.005 -1.244 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.278 6.457 -0.090 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.847 5.681 -0.716 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.350 7.143 0.447 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.635 6.750 0.131 1.00 0.00 C ATOM 674 OH TYR A 45 -9.709 7.427 0.662 1.00 0.00 O ATOM 0 H TYR A 45 -6.662 3.315 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.005 5.743 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.379 3.582 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.384 5.018 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.936 4.168 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.273 6.764 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.853 5.376 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.184 7.980 1.109 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.387 8.151 1.238 1.00 0.00 H new ATOM 684 N THR A 46 -2.860 4.324 -3.456 1.00 0.00 N ATOM 685 CA THR A 46 -1.705 3.546 -3.868 1.00 0.00 C ATOM 686 C THR A 46 -1.026 2.952 -2.645 1.00 0.00 C ATOM 687 O THR A 46 -1.108 3.514 -1.557 1.00 0.00 O ATOM 688 CB THR A 46 -0.712 4.399 -4.651 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.385 5.220 -5.589 1.00 0.00 O ATOM 690 CG2 THR A 46 0.305 3.570 -5.405 1.00 0.00 C ATOM 0 H THR A 46 -2.646 5.267 -3.133 1.00 0.00 H new ATOM 0 HA THR A 46 -2.049 2.745 -4.522 1.00 0.00 H new ATOM 0 HB THR A 46 -0.191 5.004 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.954 5.861 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.985 4.230 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.872 2.961 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.209 2.921 -6.114 1.00 0.00 H new ATOM 698 N VAL A 47 -0.366 1.814 -2.820 1.00 0.00 N ATOM 699 CA VAL A 47 0.310 1.155 -1.710 1.00 0.00 C ATOM 700 C VAL A 47 1.750 0.803 -2.046 1.00 0.00 C ATOM 701 O VAL A 47 2.007 -0.063 -2.881 1.00 0.00 O ATOM 702 CB VAL A 47 -0.405 -0.143 -1.293 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.532 -1.022 -0.477 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.675 0.164 -0.516 1.00 0.00 C ATOM 0 H VAL A 47 -0.285 1.331 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 47 0.288 1.872 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.689 -0.686 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.014 -1.937 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.407 -1.274 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.847 -0.486 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.162 -0.769 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.425 0.730 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.350 0.751 -1.139 1.00 0.00 H new ATOM 714 N SER A 48 2.688 1.443 -1.361 1.00 0.00 N ATOM 715 CA SER A 48 4.099 1.143 -1.572 1.00 0.00 C ATOM 716 C SER A 48 4.482 -0.042 -0.695 1.00 0.00 C ATOM 717 O SER A 48 4.308 0.006 0.525 1.00 0.00 O ATOM 718 CB SER A 48 5.001 2.334 -1.224 1.00 0.00 C ATOM 719 OG SER A 48 5.680 2.104 -0.001 1.00 0.00 O ATOM 0 H SER A 48 2.502 2.164 -0.663 1.00 0.00 H new ATOM 0 HA SER A 48 4.242 0.915 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.724 2.495 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.402 3.241 -1.149 1.00 0.00 H new ATOM 0 HG SER A 48 5.128 1.538 0.578 1.00 0.00 H new ATOM 725 N VAL A 49 4.989 -1.102 -1.309 1.00 0.00 N ATOM 726 CA VAL A 49 5.382 -2.293 -0.566 1.00 0.00 C ATOM 727 C VAL A 49 6.755 -2.782 -1.016 1.00 0.00 C ATOM 728 O VAL A 49 6.949 -3.120 -2.184 1.00 0.00 O ATOM 729 CB VAL A 49 4.346 -3.423 -0.738 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.961 -2.843 -0.975 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.743 -4.347 -1.877 1.00 0.00 C ATOM 0 H VAL A 49 5.138 -1.163 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 49 5.429 -2.021 0.489 1.00 0.00 H new ATOM 0 HB VAL A 49 4.321 -4.009 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.242 -3.654 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.674 -2.226 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.972 -2.232 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.999 -5.137 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.800 -3.777 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.715 -4.791 -1.664 1.00 0.00 H new ATOM 741 N PHE A 50 7.716 -2.800 -0.092 1.00 0.00 N ATOM 742 CA PHE A 50 9.073 -3.231 -0.425 1.00 0.00 C ATOM 743 C PHE A 50 9.720 -4.041 0.696 1.00 0.00 C ATOM 744 O PHE A 50 9.504 -3.783 1.885 1.00 0.00 O ATOM 745 CB PHE A 50 9.942 -2.024 -0.772 1.00 0.00 C ATOM 746 CG PHE A 50 11.003 -1.716 0.243 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.663 -1.201 1.481 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.341 -1.928 -0.048 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.638 -0.901 2.413 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.320 -1.633 0.879 1.00 0.00 C ATOM 751 CZ PHE A 50 12.969 -1.118 2.111 1.00 0.00 C ATOM 0 H PHE A 50 7.583 -2.525 0.881 1.00 0.00 H new ATOM 0 HA PHE A 50 8.997 -3.886 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.418 -2.199 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.301 -1.150 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.624 -1.032 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.621 -2.329 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.360 -0.498 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.359 -1.805 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.733 -0.885 2.838 1.00 0.00 H new ATOM 761 N THR A 51 10.521 -5.025 0.293 1.00 0.00 N ATOM 762 CA THR A 51 11.221 -5.895 1.234 1.00 0.00 C ATOM 763 C THR A 51 12.641 -6.123 0.814 1.00 0.00 C ATOM 764 O THR A 51 12.889 -6.958 -0.057 1.00 0.00 O ATOM 765 CB THR A 51 10.575 -7.264 1.256 1.00 0.00 C ATOM 766 OG1 THR A 51 11.557 -8.273 1.092 1.00 0.00 O ATOM 767 CG2 THR A 51 9.550 -7.452 0.164 1.00 0.00 C ATOM 0 H THR A 51 10.702 -5.240 -0.687 1.00 0.00 H new ATOM 0 HA THR A 51 11.176 -5.403 2.206 1.00 0.00 H new ATOM 0 HB THR A 51 10.076 -7.341 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.935 -8.218 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.124 -8.453 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.758 -6.711 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.027 -7.328 -0.808 1.00 0.00 H new ATOM 775 N LYS A 52 13.592 -5.441 1.416 1.00 0.00 N ATOM 776 CA LYS A 52 14.935 -5.703 1.026 1.00 0.00 C ATOM 777 C LYS A 52 15.054 -7.191 0.684 1.00 0.00 C ATOM 778 O LYS A 52 15.150 -8.062 1.549 1.00 0.00 O ATOM 779 CB LYS A 52 15.909 -5.333 2.147 1.00 0.00 C ATOM 780 CG LYS A 52 15.909 -3.852 2.488 1.00 0.00 C ATOM 781 CD LYS A 52 17.110 -3.141 1.885 1.00 0.00 C ATOM 782 CE LYS A 52 17.360 -1.802 2.557 1.00 0.00 C ATOM 783 NZ LYS A 52 16.446 -0.744 2.046 1.00 0.00 N ATOM 0 H LYS A 52 13.459 -4.736 2.142 1.00 0.00 H new ATOM 0 HA LYS A 52 15.190 -5.097 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.655 -5.903 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.916 -5.630 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.991 -3.393 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.917 -3.727 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.994 -3.770 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.946 -2.989 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.228 -1.906 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.394 -1.500 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.440 0.059 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.775 -0.422 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.483 -1.128 1.960 1.00 0.00 H new ATOM 797 N ALA A 53 15.072 -7.419 -0.619 1.00 0.00 N ATOM 798 CA ALA A 53 15.209 -8.742 -1.199 1.00 0.00 C ATOM 799 C ALA A 53 15.355 -8.666 -2.715 1.00 0.00 C ATOM 800 O ALA A 53 15.108 -7.624 -3.321 1.00 0.00 O ATOM 801 CB ALA A 53 14.015 -9.606 -0.824 1.00 0.00 C ATOM 0 H ALA A 53 14.990 -6.677 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 53 16.115 -9.197 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.130 -10.596 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.958 -9.696 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.101 -9.146 -1.198 1.00 0.00 H new ATOM 899 N CYS A 60 13.521 -3.979 -3.081 1.00 0.00 N ATOM 900 CA CYS A 60 12.534 -3.854 -4.148 1.00 0.00 C ATOM 901 C CYS A 60 11.233 -3.256 -3.620 1.00 0.00 C ATOM 902 O CYS A 60 10.576 -3.841 -2.760 1.00 0.00 O ATOM 903 CB CYS A 60 12.257 -5.222 -4.774 1.00 0.00 C ATOM 904 SG CYS A 60 13.684 -5.952 -5.612 1.00 0.00 S ATOM 0 HA CYS A 60 12.940 -3.186 -4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.918 -5.905 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.440 -5.124 -5.489 1.00 0.00 H new ATOM 0 HG CYS A 60 14.350 -6.688 -4.773 1.00 0.00 H new ATOM 910 N ILE A 61 10.864 -2.089 -4.142 1.00 0.00 N ATOM 911 CA ILE A 61 9.639 -1.421 -3.718 1.00 0.00 C ATOM 912 C ILE A 61 8.539 -1.563 -4.759 1.00 0.00 C ATOM 913 O ILE A 61 8.684 -1.120 -5.898 1.00 0.00 O ATOM 914 CB ILE A 61 9.861 0.079 -3.447 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.346 0.377 -3.227 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.031 0.528 -2.250 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.997 -0.506 -2.187 1.00 0.00 C ATOM 0 H ILE A 61 11.394 -1.589 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 61 9.337 -1.910 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 61 9.534 0.642 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.875 0.259 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.458 1.419 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.197 1.590 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.974 0.356 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.327 -0.040 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.048 -0.236 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.495 -0.371 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.918 -1.549 -2.494 1.00 0.00 H new ATOM 929 N LYS A 62 7.431 -2.168 -4.352 1.00 0.00 N ATOM 930 CA LYS A 62 6.293 -2.352 -5.238 1.00 0.00 C ATOM 931 C LYS A 62 5.209 -1.340 -4.915 1.00 0.00 C ATOM 932 O LYS A 62 5.094 -0.882 -3.778 1.00 0.00 O ATOM 933 CB LYS A 62 5.718 -3.758 -5.101 1.00 0.00 C ATOM 934 CG LYS A 62 4.944 -4.211 -6.326 1.00 0.00 C ATOM 935 CD LYS A 62 5.825 -4.984 -7.288 1.00 0.00 C ATOM 936 CE LYS A 62 5.054 -6.108 -7.955 1.00 0.00 C ATOM 937 NZ LYS A 62 3.602 -6.054 -7.626 1.00 0.00 N ATOM 0 H LYS A 62 7.298 -2.540 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 62 6.639 -2.208 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.531 -4.459 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.061 -3.792 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.106 -4.836 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.524 -3.343 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.219 -4.309 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.681 -5.394 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.184 -6.047 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.463 -7.067 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.085 -6.726 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.463 -6.305 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.243 -5.092 -7.794 1.00 0.00 H new ATOM 951 N HIS A 63 4.406 -1.003 -5.910 1.00 0.00 N ATOM 952 CA HIS A 63 3.328 -0.060 -5.714 1.00 0.00 C ATOM 953 C HIS A 63 1.988 -0.725 -5.982 1.00 0.00 C ATOM 954 O HIS A 63 1.640 -1.011 -7.127 1.00 0.00 O ATOM 955 CB HIS A 63 3.498 1.133 -6.646 1.00 0.00 C ATOM 956 CG HIS A 63 4.736 1.932 -6.396 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.923 2.738 -5.297 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.864 2.046 -7.142 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.131 3.307 -5.407 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.742 2.918 -6.510 1.00 0.00 N ATOM 0 H HIS A 63 4.483 -1.370 -6.859 1.00 0.00 H new ATOM 0 HA HIS A 63 3.355 0.283 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.510 0.777 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.631 1.786 -6.545 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.260 2.878 -4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.050 1.540 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.550 3.994 -4.687 1.00 0.00 H new ATOM 968 N TYR A 64 1.237 -0.958 -4.919 1.00 0.00 N ATOM 969 CA TYR A 64 -0.071 -1.578 -5.034 1.00 0.00 C ATOM 970 C TYR A 64 -1.167 -0.534 -4.890 1.00 0.00 C ATOM 971 O TYR A 64 -1.273 0.120 -3.853 1.00 0.00 O ATOM 972 CB TYR A 64 -0.235 -2.653 -3.968 1.00 0.00 C ATOM 973 CG TYR A 64 0.637 -3.850 -4.223 1.00 0.00 C ATOM 974 CD1 TYR A 64 2.015 -3.758 -4.107 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.087 -5.066 -4.595 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.820 -4.843 -4.353 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.887 -6.161 -4.842 1.00 0.00 C ATOM 978 CZ TYR A 64 2.255 -6.045 -4.721 1.00 0.00 C ATOM 979 OH TYR A 64 3.060 -7.134 -4.967 1.00 0.00 O ATOM 0 H TYR A 64 1.512 -0.726 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.152 -2.037 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.006 -2.233 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.278 -2.968 -3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.463 -2.818 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.985 -5.157 -4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.892 -4.755 -4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.445 -7.104 -5.128 1.00 0.00 H new ATOM 0 HH TYR A 64 2.504 -7.902 -5.214 1.00 0.00 H new ATOM 989 N HIS A 65 -1.986 -0.374 -5.923 1.00 0.00 N ATOM 990 CA HIS A 65 -3.067 0.596 -5.861 1.00 0.00 C ATOM 991 C HIS A 65 -4.350 -0.065 -5.415 1.00 0.00 C ATOM 992 O HIS A 65 -4.835 -1.000 -6.052 1.00 0.00 O ATOM 993 CB HIS A 65 -3.299 1.290 -7.199 1.00 0.00 C ATOM 994 CG HIS A 65 -3.891 2.647 -7.037 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.273 3.684 -6.381 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.089 3.119 -7.443 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.105 4.732 -6.406 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.219 4.441 -7.042 1.00 0.00 N ATOM 0 H HIS A 65 -1.923 -0.894 -6.798 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.767 1.351 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.352 1.371 -7.733 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.960 0.679 -7.813 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.348 3.660 -5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.829 2.557 -7.993 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.890 5.692 -5.961 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.902 0.427 -4.321 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.137 -0.127 -3.808 1.00 0.00 C ATOM 1008 C ILE A 66 -7.282 0.173 -4.758 1.00 0.00 C ATOM 1009 O ILE A 66 -7.780 1.295 -4.812 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.477 0.442 -2.420 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.229 1.031 -1.769 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.071 -0.642 -1.542 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.010 0.147 -1.903 1.00 0.00 C ATOM 0 H ILE A 66 -4.519 1.200 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.998 -1.205 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.213 1.237 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.017 2.001 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.428 1.206 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.308 -0.228 -0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.981 -1.026 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.352 -1.453 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.159 0.625 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.204 -0.815 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.787 -0.008 -2.959 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.711 -0.842 -5.492 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.811 -0.680 -6.421 1.00 0.00 C ATOM 1027 C LYS A 67 -10.073 -0.349 -5.640 1.00 0.00 C ATOM 1028 O LYS A 67 -10.162 -0.670 -4.453 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.010 -1.953 -7.247 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.113 -1.837 -8.286 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.680 -0.980 -9.465 1.00 0.00 C ATOM 1032 CE LYS A 67 -10.044 0.480 -9.255 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.607 1.331 -10.397 1.00 0.00 N ATOM 0 H LYS A 67 -7.314 -1.781 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.586 0.134 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.074 -2.201 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.240 -2.780 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.388 -2.831 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.002 -1.404 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.603 -1.071 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.153 -1.347 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.123 0.570 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.582 0.841 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.281 2.251 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.829 0.861 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.405 1.476 -11.048 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.033 0.298 -6.301 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.287 0.692 -5.659 1.00 0.00 C ATOM 1049 C GLU A 68 -13.478 -0.042 -6.270 1.00 0.00 C ATOM 1050 O GLU A 68 -13.580 -0.176 -7.489 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.496 2.203 -5.812 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.977 3.026 -4.644 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.028 3.965 -4.086 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.232 3.680 -4.260 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.648 4.987 -3.475 1.00 0.00 O ATOM 0 H GLU A 68 -10.966 0.561 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.220 0.427 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.002 2.536 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.561 2.400 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.636 2.356 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.112 3.605 -4.967 1.00 0.00 H new ATOM 1062 N THR A 69 -14.381 -0.507 -5.410 1.00 0.00 N ATOM 1063 CA THR A 69 -15.570 -1.218 -5.853 1.00 0.00 C ATOM 1064 C THR A 69 -16.806 -0.641 -5.176 1.00 0.00 C ATOM 1065 O THR A 69 -16.728 -0.120 -4.063 1.00 0.00 O ATOM 1066 CB THR A 69 -15.449 -2.711 -5.543 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.160 -3.036 -4.362 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.019 -3.170 -5.358 1.00 0.00 C ATOM 0 H THR A 69 -14.308 -0.402 -4.398 1.00 0.00 H new ATOM 0 HA THR A 69 -15.666 -1.095 -6.932 1.00 0.00 H new ATOM 0 HB THR A 69 -15.868 -3.221 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.534 -3.364 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.005 -4.238 -5.141 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.454 -2.978 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.566 -2.625 -4.529 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.943 -0.725 -5.852 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.187 -0.198 -5.308 1.00 0.00 C ATOM 1078 C ASN A 70 -19.839 -1.191 -4.352 1.00 0.00 C ATOM 1079 O ASN A 70 -21.033 -1.470 -4.461 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.155 0.145 -6.441 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.539 -0.062 -7.811 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -18.850 0.813 -8.334 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -19.786 -1.226 -8.401 1.00 0.00 N ATOM 0 H ASN A 70 -18.030 -1.151 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.950 0.707 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.049 -0.472 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.473 1.183 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.399 -1.422 -9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.363 -1.924 -7.931 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.734 -2.979 1.046 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.877 -3.731 0.134 1.00 0.00 C ATOM 1129 C LYS A 74 -15.708 -3.008 -1.189 1.00 0.00 C ATOM 1130 O LYS A 74 -16.070 -3.522 -2.247 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.449 -5.132 -0.088 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.352 -5.605 1.040 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.773 -5.096 0.869 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.585 -6.008 -0.036 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.993 -5.544 -0.173 1.00 0.00 N ATOM 0 HA LYS A 74 -14.891 -3.819 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.012 -5.142 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.626 -5.837 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.356 -6.695 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.954 -5.261 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.255 -5.026 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.753 -4.090 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.119 -6.050 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.574 -7.021 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -21.513 -6.193 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.446 -5.528 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.005 -4.587 -0.580 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.146 -1.812 -1.121 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.923 -1.013 -2.310 1.00 0.00 C ATOM 1151 C ARG A 75 -13.487 -1.137 -2.807 1.00 0.00 C ATOM 1152 O ARG A 75 -13.247 -1.354 -3.992 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.222 0.457 -2.026 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.064 0.841 -0.565 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.677 2.202 -0.276 1.00 0.00 C ATOM 1156 NE ARG A 75 -15.822 3.006 -1.487 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.205 4.278 -1.484 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -16.480 4.887 -0.339 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.312 4.943 -2.626 1.00 0.00 N ATOM 0 H ARG A 75 -14.836 -1.375 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.595 -1.388 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.558 1.077 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.241 0.679 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.538 0.087 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.006 0.855 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.654 2.068 0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.053 2.736 0.441 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.618 2.566 -2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.398 4.379 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.774 5.864 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.100 4.478 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.606 5.920 -2.622 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.530 -0.951 -1.908 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.127 -0.989 -2.292 1.00 0.00 C ATOM 1175 C TYR A 76 -10.508 -2.373 -2.172 1.00 0.00 C ATOM 1176 O TYR A 76 -10.892 -3.175 -1.325 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.341 0.026 -1.471 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.083 1.322 -1.310 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.275 1.534 -1.983 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.600 2.328 -0.494 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.970 2.711 -1.849 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.288 3.517 -0.350 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.476 3.704 -1.029 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.167 4.886 -0.891 1.00 0.00 O ATOM 0 H TYR A 76 -12.697 -0.774 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.077 -0.728 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.127 -0.393 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.382 0.216 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.665 0.759 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.672 2.182 0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.898 2.858 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.899 4.296 0.290 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.238 5.327 -1.763 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.533 -2.624 -3.040 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.813 -3.903 -3.075 1.00 0.00 C ATOM 1196 C TYR A 77 -7.601 -3.809 -3.999 1.00 0.00 C ATOM 1197 O TYR A 77 -7.409 -2.805 -4.674 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.729 -5.038 -3.546 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.077 -4.972 -5.014 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.785 -3.891 -5.523 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.702 -5.988 -5.892 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.112 -3.816 -6.862 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.028 -5.915 -7.237 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.731 -4.829 -7.714 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.056 -4.757 -9.049 1.00 0.00 O ATOM 0 H TYR A 77 -9.217 -1.952 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.477 -4.122 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.245 -5.992 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.650 -5.015 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.085 -3.094 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.152 -6.840 -5.520 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.664 -2.968 -7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.732 -6.707 -7.910 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.242 -4.618 -9.577 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.787 -4.858 -4.034 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.604 -4.867 -4.891 1.00 0.00 C ATOM 1217 C VAL A 78 -5.313 -6.261 -5.422 1.00 0.00 C ATOM 1218 O VAL A 78 -4.195 -6.761 -5.296 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.357 -4.361 -4.151 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.486 -2.882 -3.825 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.119 -5.180 -2.894 1.00 0.00 C ATOM 0 H VAL A 78 -6.921 -5.707 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.827 -4.196 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.493 -4.483 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.591 -2.546 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.601 -2.315 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.359 -2.724 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.232 -4.809 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.983 -5.094 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.972 -6.226 -3.164 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.318 -6.885 -6.018 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.157 -8.222 -6.567 1.00 0.00 C ATOM 1233 C ALA A 79 -7.503 -8.907 -6.745 1.00 0.00 C ATOM 1234 O ALA A 79 -7.631 -10.103 -6.486 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.272 -9.062 -5.657 1.00 0.00 C ATOM 0 H ALA A 79 -7.251 -6.488 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.685 -8.128 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.160 -10.060 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.292 -8.593 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.730 -9.135 -4.670 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.513 -8.151 -7.169 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.840 -8.727 -7.342 1.00 0.00 C ATOM 1243 C GLU A 80 -9.995 -9.863 -6.350 1.00 0.00 C ATOM 1244 O GLU A 80 -10.611 -10.890 -6.635 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.028 -9.236 -8.773 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.755 -8.184 -9.834 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.035 -8.748 -11.043 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.409 -9.851 -11.495 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.098 -8.087 -11.538 1.00 0.00 O ATOM 0 H GLU A 80 -8.440 -7.159 -7.395 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.600 -7.966 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.366 -10.086 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.049 -9.600 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.699 -7.741 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.156 -7.383 -9.400 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.379 -9.669 -5.191 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.378 -10.663 -4.136 1.00 0.00 C ATOM 1258 C LYS A 81 -10.127 -10.162 -2.895 1.00 0.00 C ATOM 1259 O LYS A 81 -11.195 -10.680 -2.570 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.925 -11.031 -3.847 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.398 -10.580 -2.505 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.232 -9.618 -2.682 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.014 -10.330 -3.244 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.309 -11.119 -2.200 1.00 0.00 N ATOM 0 H LYS A 81 -8.867 -8.817 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.915 -11.558 -4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.822 -12.114 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.297 -10.602 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.194 -10.095 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.077 -11.445 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.524 -8.808 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.982 -9.165 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.321 -10.991 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.329 -9.598 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.892 -11.969 -2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.556 -10.540 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.985 -11.401 -1.462 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.605 -9.130 -2.226 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.295 -8.568 -1.064 1.00 0.00 C ATOM 1280 C TYR A 82 -10.538 -7.083 -1.260 1.00 0.00 C ATOM 1281 O TYR A 82 -9.608 -6.321 -1.522 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.540 -8.733 0.265 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.501 -9.823 0.334 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.260 -9.658 -0.249 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.748 -10.994 1.036 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.288 -10.633 -0.144 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.787 -11.976 1.143 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.556 -11.792 0.552 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.591 -12.767 0.660 1.00 0.00 O ATOM 0 H TYR A 82 -8.724 -8.675 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.225 -9.133 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.053 -7.786 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.274 -8.915 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.046 -8.752 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.709 -11.138 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.322 -10.488 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.998 -12.885 1.687 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.045 -12.778 -0.154 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.782 -6.669 -1.095 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.129 -5.266 -1.217 1.00 0.00 C ATOM 1301 C VAL A 83 -12.575 -4.732 0.130 1.00 0.00 C ATOM 1302 O VAL A 83 -13.107 -5.476 0.953 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.242 -5.031 -2.246 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.736 -5.309 -3.652 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.447 -5.889 -1.914 1.00 0.00 C ATOM 0 H VAL A 83 -12.566 -7.283 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.239 -4.739 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.548 -3.986 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.539 -5.137 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.901 -4.645 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.404 -6.345 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.232 -5.715 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.161 -6.941 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.816 -5.629 -0.922 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.353 -3.450 0.363 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.736 -2.855 1.627 1.00 0.00 C ATOM 1317 C PHE A 84 -13.311 -1.462 1.429 1.00 0.00 C ATOM 1318 O PHE A 84 -13.574 -1.037 0.302 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.533 -2.800 2.573 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.672 -4.031 2.515 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.953 -5.125 3.316 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.588 -4.094 1.655 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.166 -6.262 3.260 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -8.798 -5.229 1.593 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.089 -6.315 2.397 1.00 0.00 C ATOM 0 H PHE A 84 -11.915 -2.809 -0.299 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.511 -3.480 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.926 -1.929 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.889 -2.662 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.795 -5.091 3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.356 -3.248 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.394 -7.108 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.956 -5.266 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.476 -7.203 2.350 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.500 -0.758 2.535 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.044 0.589 2.500 1.00 0.00 C ATOM 1337 C ASP A 85 -12.948 1.613 2.742 1.00 0.00 C ATOM 1338 O ASP A 85 -13.218 2.808 2.864 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.145 0.746 3.550 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.714 1.615 4.715 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.518 1.576 5.074 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.572 2.333 5.270 1.00 0.00 O ATOM 0 H ASP A 85 -13.283 -1.100 3.471 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.471 0.760 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.029 1.181 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.432 -0.238 3.921 1.00 0.00 H new ATOM 1347 N SER A 86 -11.709 1.141 2.815 1.00 0.00 N ATOM 1348 CA SER A 86 -10.584 2.031 3.047 1.00 0.00 C ATOM 1349 C SER A 86 -9.250 1.287 3.050 1.00 0.00 C ATOM 1350 O SER A 86 -9.145 0.114 3.469 1.00 0.00 O ATOM 1351 CB SER A 86 -10.765 2.773 4.372 1.00 0.00 C ATOM 1352 OG SER A 86 -10.072 4.008 4.364 1.00 0.00 O ATOM 0 H SER A 86 -11.462 0.156 2.718 1.00 0.00 H new ATOM 0 HA SER A 86 -10.562 2.745 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.826 2.949 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.401 2.154 5.192 1.00 0.00 H new ATOM 0 HG SER A 86 -10.205 4.463 5.221 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.224 1.993 2.597 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.889 1.444 2.553 1.00 0.00 C ATOM 1360 C ILE A 87 -6.501 0.913 3.927 1.00 0.00 C ATOM 1361 O ILE A 87 -5.900 -0.148 4.038 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.854 2.498 2.116 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.017 2.870 0.641 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.449 1.986 2.371 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.258 2.306 -0.013 1.00 0.00 C ATOM 0 H ILE A 87 -8.298 2.951 2.255 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.891 0.636 1.821 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.025 3.397 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.037 3.956 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.142 2.522 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.725 2.739 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.324 1.781 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.287 1.069 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.294 2.619 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.234 1.217 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.143 2.674 0.507 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.846 1.644 5.005 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.520 1.223 6.367 1.00 0.00 C ATOM 1379 C PRO A 88 -6.983 -0.197 6.639 1.00 0.00 C ATOM 1380 O PRO A 88 -6.204 -1.028 7.105 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.267 2.216 7.262 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.181 2.978 6.357 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.569 2.920 4.985 1.00 0.00 C ATOM 0 HA PRO A 88 -5.445 1.222 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.830 1.696 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.571 2.885 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.179 2.540 6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.286 4.010 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.328 2.943 4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.900 3.761 4.805 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.232 -0.497 6.301 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.727 -1.851 6.476 1.00 0.00 C ATOM 1393 C LEU A 89 -8.037 -2.713 5.441 1.00 0.00 C ATOM 1394 O LEU A 89 -7.487 -3.781 5.754 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.248 -1.944 6.311 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.996 -0.614 6.265 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.302 -0.237 4.826 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.279 -0.700 7.078 1.00 0.00 C ATOM 0 H LEU A 89 -8.905 0.164 5.913 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.510 -2.187 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.462 -2.491 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.648 -2.535 7.135 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.364 0.160 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.836 0.713 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.370 -0.143 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.920 -1.011 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.801 0.256 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.918 -1.481 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.038 -0.936 8.114 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.028 -2.211 4.202 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.361 -2.914 3.122 1.00 0.00 C ATOM 1412 C LEU A 90 -5.910 -3.180 3.518 1.00 0.00 C ATOM 1413 O LEU A 90 -5.357 -4.241 3.231 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.435 -2.104 1.830 1.00 0.00 C ATOM 1415 CG LEU A 90 -6.899 -2.820 0.591 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.928 -2.795 -0.528 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.588 -2.192 0.142 1.00 0.00 C ATOM 0 H LEU A 90 -8.471 -1.332 3.933 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.861 -3.866 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.474 -1.827 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.877 -1.178 1.966 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.707 -3.862 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.528 -3.310 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.838 -3.296 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.157 -1.762 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.219 -2.713 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.751 -1.141 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.853 -2.271 0.943 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.312 -2.215 4.216 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.944 -2.351 4.701 1.00 0.00 C ATOM 1431 C ILE A 91 -3.942 -3.196 5.962 1.00 0.00 C ATOM 1432 O ILE A 91 -3.119 -4.097 6.127 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.293 -0.991 5.027 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.465 -0.016 3.865 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.816 -1.180 5.347 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.887 -0.517 2.569 1.00 0.00 C ATOM 0 H ILE A 91 -5.757 -1.329 4.457 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.366 -2.820 3.905 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.791 -0.571 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.527 0.187 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.991 0.931 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.367 -0.214 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.712 -1.841 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.311 -1.621 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.046 0.227 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.818 -0.693 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.378 -1.449 2.288 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.889 -2.896 6.849 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.022 -3.624 8.099 1.00 0.00 C ATOM 1450 C GLN A 92 -5.074 -5.114 7.817 1.00 0.00 C ATOM 1451 O GLN A 92 -4.392 -5.903 8.471 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.280 -3.181 8.848 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.093 -1.899 9.643 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.643 -1.647 10.009 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.806 -1.430 9.001 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.279 -1.647 11.185 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.574 -2.152 6.720 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.158 -3.408 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.089 -3.040 8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.589 -3.977 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.469 -1.057 9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.690 -1.950 10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.956 -1.818 11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.300 -1.476 11.416 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.867 -5.497 6.820 1.00 0.00 N ATOM 1466 CA TYR A 93 -5.964 -6.901 6.451 1.00 0.00 C ATOM 1467 C TYR A 93 -4.737 -7.309 5.643 1.00 0.00 C ATOM 1468 O TYR A 93 -4.309 -8.462 5.687 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.232 -7.178 5.644 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.975 -7.284 4.162 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.734 -6.145 3.412 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.964 -8.516 3.512 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.491 -6.222 2.057 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.721 -8.599 2.158 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.486 -7.449 1.434 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.248 -7.523 0.084 1.00 0.00 O ATOM 0 H TYR A 93 -6.442 -4.865 6.263 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.012 -7.489 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.685 -8.105 5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.953 -6.381 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.736 -5.180 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.148 -9.418 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.305 -5.324 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.715 -9.560 1.666 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.734 -8.286 -0.292 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.166 -6.351 4.908 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.985 -6.616 4.103 1.00 0.00 C ATOM 1488 C HIS A 94 -1.738 -6.673 4.983 1.00 0.00 C ATOM 1489 O HIS A 94 -0.719 -7.246 4.598 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.825 -5.529 3.043 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.070 -6.001 1.645 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.929 -7.033 1.337 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.571 -5.566 0.464 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.949 -7.211 0.028 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.134 -6.334 -0.524 1.00 0.00 N ATOM 0 H HIS A 94 -4.506 -5.390 4.858 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.108 -7.581 3.612 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.514 -4.714 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.816 -5.120 3.106 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.466 -7.575 2.014 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.862 -4.764 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.534 -7.950 -0.500 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.831 -6.072 6.167 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.714 -6.050 7.107 1.00 0.00 C ATOM 1506 C GLN A 95 -0.710 -7.302 7.978 1.00 0.00 C ATOM 1507 O GLN A 95 0.318 -7.963 8.129 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.794 -4.805 7.994 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.322 -3.536 7.305 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.676 -2.284 8.082 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.396 -1.125 7.496 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -1.196 -2.357 9.195 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.669 -5.594 6.498 1.00 0.00 H new ATOM 0 HA GLN A 95 0.211 -6.024 6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.824 -4.669 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.193 -4.968 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.759 -3.581 7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.766 -3.480 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.393 -3.269 9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.430 -1.505 9.706 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.867 -7.621 8.550 1.00 0.00 N ATOM 1522 CA TYR A 96 -1.999 -8.792 9.408 1.00 0.00 C ATOM 1523 C TYR A 96 -2.607 -9.962 8.642 1.00 0.00 C ATOM 1524 O TYR A 96 -2.404 -11.123 8.997 1.00 0.00 O ATOM 1525 CB TYR A 96 -2.864 -8.461 10.625 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.133 -7.677 11.692 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.057 -6.291 11.632 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -1.519 -8.322 12.758 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -1.390 -5.571 12.605 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -0.850 -7.609 13.734 1.00 0.00 C ATOM 1531 CZ TYR A 96 -0.789 -6.234 13.653 1.00 0.00 C ATOM 1532 OH TYR A 96 -0.124 -5.520 14.623 1.00 0.00 O ATOM 0 H TYR A 96 -2.727 -7.084 8.434 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.003 -9.080 9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.733 -7.890 10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.237 -9.389 11.059 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.527 -5.768 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.565 -9.399 12.825 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.340 -4.494 12.544 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.377 -8.126 14.556 1.00 0.00 H new ATOM 0 HH TYR A 96 0.242 -6.137 15.291 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.353 -9.647 7.589 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.992 -10.671 6.770 1.00 0.00 C ATOM 1544 C ASN A 97 -3.364 -10.721 5.383 1.00 0.00 C ATOM 1545 O ASN A 97 -3.829 -11.448 4.505 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.492 -10.399 6.654 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.321 -11.368 7.474 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.419 -12.550 7.147 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.924 -10.869 8.547 1.00 0.00 N ATOM 0 H ASN A 97 -3.530 -8.691 7.282 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.843 -11.636 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.700 -9.380 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.790 -10.465 5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.496 -11.473 9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.815 -9.882 8.781 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.305 -9.941 5.191 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.632 -9.911 3.907 1.00 0.00 C ATOM 1558 C GLY A 98 -2.602 -9.972 2.746 1.00 0.00 C ATOM 1559 O GLY A 98 -3.561 -9.202 2.687 1.00 0.00 O ATOM 0 H GLY A 98 -1.902 -9.330 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.037 -9.001 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.939 -10.750 3.843 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.354 -10.889 1.819 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.223 -11.029 0.667 1.00 0.00 C ATOM 1565 C GLY A 99 -2.569 -11.808 -0.458 1.00 0.00 C ATOM 1566 O GLY A 99 -3.168 -12.726 -1.017 1.00 0.00 O ATOM 0 H GLY A 99 -1.567 -11.538 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.142 -11.532 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.504 -10.040 0.305 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.337 -11.437 -0.790 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.619 -12.115 -1.854 1.00 0.00 C ATOM 1572 C GLY A 100 0.220 -11.162 -2.682 1.00 0.00 C ATOM 1573 O GLY A 100 0.439 -11.390 -3.872 1.00 0.00 O ATOM 0 H GLY A 100 -0.823 -10.679 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.025 -12.882 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.332 -12.625 -2.502 1.00 0.00 H new ATOM 1577 N LEU A 101 0.690 -10.090 -2.052 1.00 0.00 N ATOM 1578 CA LEU A 101 1.509 -9.097 -2.737 1.00 0.00 C ATOM 1579 C LEU A 101 2.994 -9.383 -2.533 1.00 0.00 C ATOM 1580 O LEU A 101 3.390 -10.525 -2.299 1.00 0.00 O ATOM 1581 CB LEU A 101 1.181 -7.692 -2.228 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.297 -7.297 -2.295 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.186 -8.531 -2.326 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.657 -6.404 -1.118 1.00 0.00 C ATOM 0 H LEU A 101 0.517 -9.887 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 101 1.285 -9.154 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.514 -7.612 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.759 -6.971 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.464 -6.740 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.231 -8.225 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.944 -9.132 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.021 -9.121 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.710 -6.130 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.473 -6.939 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.046 -5.502 -1.145 1.00 0.00 H new ATOM 1596 N VAL A 102 3.809 -8.337 -2.619 1.00 0.00 N ATOM 1597 CA VAL A 102 5.249 -8.473 -2.439 1.00 0.00 C ATOM 1598 C VAL A 102 5.568 -9.262 -1.175 1.00 0.00 C ATOM 1599 O VAL A 102 6.617 -9.898 -1.073 1.00 0.00 O ATOM 1600 CB VAL A 102 5.935 -7.097 -2.350 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.936 -6.593 -0.914 1.00 0.00 C ATOM 1602 CG2 VAL A 102 7.352 -7.170 -2.899 1.00 0.00 C ATOM 0 H VAL A 102 3.496 -7.386 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 102 5.629 -9.008 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 102 5.371 -6.390 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.425 -5.620 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.909 -6.500 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.475 -7.298 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.821 -6.189 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.930 -7.891 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.322 -7.483 -3.943 1.00 0.00 H new ATOM 1612 N THR A 103 4.653 -9.212 -0.214 1.00 0.00 N ATOM 1613 CA THR A 103 4.827 -9.916 1.050 1.00 0.00 C ATOM 1614 C THR A 103 3.888 -9.351 2.108 1.00 0.00 C ATOM 1615 O THR A 103 4.284 -9.129 3.252 1.00 0.00 O ATOM 1616 CB THR A 103 6.278 -9.808 1.525 1.00 0.00 C ATOM 1617 OG1 THR A 103 6.431 -10.396 2.805 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.777 -8.382 1.613 1.00 0.00 C ATOM 0 H THR A 103 3.780 -8.689 -0.287 1.00 0.00 H new ATOM 0 HA THR A 103 4.586 -10.967 0.894 1.00 0.00 H new ATOM 0 HB THR A 103 6.867 -10.335 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.726 -10.068 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.812 -8.379 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.719 -7.915 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.160 -7.823 2.317 1.00 0.00 H new ATOM 1626 N ARG A 104 2.641 -9.115 1.713 1.00 0.00 N ATOM 1627 CA ARG A 104 1.640 -8.569 2.621 1.00 0.00 C ATOM 1628 C ARG A 104 2.167 -7.320 3.318 1.00 0.00 C ATOM 1629 O ARG A 104 3.372 -7.171 3.520 1.00 0.00 O ATOM 1630 CB ARG A 104 1.232 -9.615 3.659 1.00 0.00 C ATOM 1631 CG ARG A 104 2.407 -10.223 4.406 1.00 0.00 C ATOM 1632 CD ARG A 104 1.943 -11.026 5.611 1.00 0.00 C ATOM 1633 NE ARG A 104 2.997 -11.170 6.611 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.825 -11.784 7.777 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.647 -12.308 8.086 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.832 -11.876 8.635 1.00 0.00 N ATOM 0 H ARG A 104 2.300 -9.294 0.769 1.00 0.00 H new ATOM 0 HA ARG A 104 0.764 -8.295 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.554 -9.155 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.678 -10.411 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.973 -10.867 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.082 -9.431 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.080 -10.537 6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.616 -12.013 5.285 1.00 0.00 H new ATOM 0 HE ARG A 104 3.915 -10.778 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.870 -12.240 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.517 -12.779 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.740 -11.475 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.698 -12.348 9.530 1.00 0.00 H new ATOM 1650 N LEU A 105 1.256 -6.427 3.685 1.00 0.00 N ATOM 1651 CA LEU A 105 1.627 -5.191 4.363 1.00 0.00 C ATOM 1652 C LEU A 105 2.458 -5.493 5.604 1.00 0.00 C ATOM 1653 O LEU A 105 1.988 -5.367 6.735 1.00 0.00 O ATOM 1654 CB LEU A 105 0.374 -4.394 4.716 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.337 -3.799 3.515 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.166 -2.407 3.295 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.105 -4.644 2.272 1.00 0.00 C ATOM 0 H LEU A 105 0.255 -6.536 3.524 1.00 0.00 H new ATOM 0 HA LEU A 105 2.239 -4.587 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.319 -5.044 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.648 -3.590 5.399 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.409 -3.779 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.339 -1.970 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.036 -1.803 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.240 -2.433 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.625 -4.196 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.963 -4.691 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.486 -5.651 2.440 1.00 0.00 H new ATOM 1669 N ARG A 106 3.699 -5.913 5.371 1.00 0.00 N ATOM 1670 CA ARG A 106 4.618 -6.264 6.448 1.00 0.00 C ATOM 1671 C ARG A 106 4.838 -5.108 7.419 1.00 0.00 C ATOM 1672 O ARG A 106 4.849 -5.309 8.633 1.00 0.00 O ATOM 1673 CB ARG A 106 5.960 -6.712 5.868 1.00 0.00 C ATOM 1674 CG ARG A 106 5.921 -8.099 5.247 1.00 0.00 C ATOM 1675 CD ARG A 106 6.897 -9.044 5.930 1.00 0.00 C ATOM 1676 NE ARG A 106 7.258 -8.584 7.268 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.539 -8.844 8.355 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.425 -9.556 8.261 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.934 -8.391 9.537 1.00 0.00 N ATOM 0 H ARG A 106 4.093 -6.019 4.436 1.00 0.00 H new ATOM 0 HA ARG A 106 4.163 -7.082 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.278 -5.993 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.711 -6.697 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.911 -8.503 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.162 -8.031 4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.454 -10.038 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.798 -9.136 5.323 1.00 0.00 H new ATOM 0 HE ARG A 106 8.109 -8.032 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.118 -9.905 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.875 -9.754 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.791 -7.842 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.381 -8.591 10.371 1.00 0.00 H new ATOM 1693 N TYR A 107 5.028 -3.901 6.893 1.00 0.00 N ATOM 1694 CA TYR A 107 5.261 -2.743 7.751 1.00 0.00 C ATOM 1695 C TYR A 107 5.157 -1.431 6.991 1.00 0.00 C ATOM 1696 O TYR A 107 6.013 -1.106 6.169 1.00 0.00 O ATOM 1697 CB TYR A 107 6.640 -2.824 8.398 1.00 0.00 C ATOM 1698 CG TYR A 107 6.905 -1.667 9.328 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.392 -1.663 10.615 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.648 -0.569 8.913 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.611 -0.602 11.466 1.00 0.00 C ATOM 1702 CE2 TYR A 107 7.876 0.499 9.760 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.354 0.478 11.036 1.00 0.00 C ATOM 1704 OH TYR A 107 7.575 1.539 11.884 1.00 0.00 O ATOM 0 H TYR A 107 5.026 -3.700 5.893 1.00 0.00 H new ATOM 0 HA TYR A 107 4.483 -2.763 8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.725 -3.759 8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.403 -2.844 7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.810 -2.506 10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.054 -0.550 7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.203 -0.616 12.466 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.459 1.344 9.425 1.00 0.00 H new ATOM 0 HH TYR A 107 6.741 2.038 12.008 1.00 0.00 H new ATOM 1714 N PRO A 108 4.114 -0.644 7.280 1.00 0.00 N ATOM 1715 CA PRO A 108 3.913 0.656 6.645 1.00 0.00 C ATOM 1716 C PRO A 108 5.139 1.554 6.811 1.00 0.00 C ATOM 1717 O PRO A 108 5.852 1.464 7.811 1.00 0.00 O ATOM 1718 CB PRO A 108 2.701 1.246 7.383 1.00 0.00 C ATOM 1719 CG PRO A 108 2.504 0.398 8.594 1.00 0.00 C ATOM 1720 CD PRO A 108 3.066 -0.952 8.261 1.00 0.00 C ATOM 0 HA PRO A 108 3.754 0.571 5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.880 2.285 7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.814 1.233 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.013 0.828 9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.447 0.326 8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.472 -1.448 9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.306 -1.613 7.845 1.00 0.00 H new ATOM 1728 N VAL A 109 5.386 2.412 5.826 1.00 0.00 N ATOM 1729 CA VAL A 109 6.522 3.315 5.861 1.00 0.00 C ATOM 1730 C VAL A 109 6.075 4.743 5.577 1.00 0.00 C ATOM 1731 O VAL A 109 5.104 4.963 4.853 1.00 0.00 O ATOM 1732 CB VAL A 109 7.586 2.903 4.828 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.508 1.836 5.401 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.923 2.414 3.552 1.00 0.00 C ATOM 0 H VAL A 109 4.808 2.498 4.990 1.00 0.00 H new ATOM 0 HA VAL A 109 6.957 3.261 6.859 1.00 0.00 H new ATOM 0 HB VAL A 109 8.191 3.778 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.252 1.559 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.010 2.226 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.923 0.957 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.689 2.126 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.294 1.553 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.310 3.212 3.132 1.00 0.00 H new ATOM 1744 N CYS A 110 6.775 5.710 6.153 1.00 0.00 N ATOM 1745 CA CYS A 110 6.432 7.111 5.958 1.00 0.00 C ATOM 1746 C CYS A 110 7.683 7.963 5.791 1.00 0.00 C ATOM 1747 O CYS A 110 8.216 8.504 6.760 1.00 0.00 O ATOM 1748 CB CYS A 110 5.599 7.618 7.136 1.00 0.00 C ATOM 1749 SG CYS A 110 6.565 8.009 8.614 1.00 0.00 S ATOM 0 H CYS A 110 7.581 5.551 6.757 1.00 0.00 H new ATOM 0 HA CYS A 110 5.843 7.193 5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.055 8.510 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.855 6.864 7.391 1.00 0.00 H new ATOM 0 HG CYS A 110 7.747 8.422 8.263 1.00 0.00 H new ATOM 1755 N GLY A 111 8.146 8.077 4.553 1.00 0.00 N ATOM 1756 CA GLY A 111 9.332 8.866 4.274 1.00 0.00 C ATOM 1757 C GLY A 111 10.614 8.115 4.574 1.00 0.00 C ATOM 1758 O GLY A 111 11.692 8.513 4.132 1.00 0.00 O ATOM 0 H GLY A 111 7.722 7.637 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.327 9.165 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.304 9.780 4.866 1.00 0.00 H new