USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 760 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 46 SER OG : rot -130:sc= 0.083 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.472 K(o=-0.39,f=-1.9) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -2.58 K(o=-5.7,f=-11!) USER MOD Set 2.2: A 13 MET CE :methyl -172:sc= -3.13 (180deg=-3.1!) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 12 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-8.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 17 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.87) USER MOD Single : A 20 THR OG1 : rot 111:sc= 1.29 USER MOD Single : A 23 GLN : amide:sc= -1.75 K(o=-1.7,f=-2.6) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc=-0.00745 (180deg=-0.703) USER MOD Single : A 30 THR OG1 : rot 117:sc= 1.19 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -69:sc= 1.09 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 53 LYS NZ :NH3+ -111:sc= -1.1 (180deg=-3.45!) USER MOD Single : A 58 SER OG : rot -24:sc= 0.243 USER MOD Single : A 63 THR OG1 : rot -146:sc= 0.0617 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 160:sc= -1.04 (180deg=-2.07!) USER MOD Single : A 69 CYS SG : rot 41:sc= 0.414 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -138:sc= 1.14 USER MOD Single : A 81 THR OG1 : rot 44:sc= 0.418 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00707 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -139:sc= -0.608 (180deg=-2.58!) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -1.29 (180deg=-1.39) USER MOD Single : A 95 THR OG1 : rot -83:sc= 0.954 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Single : A 111 TYR OH : rot 30:sc=-0.00651 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.071 -5.845 -9.882 1.00 0.00 N ATOM 67 CA TRP A 8 3.172 -4.803 -8.867 1.00 0.00 C ATOM 68 C TRP A 8 3.758 -5.358 -7.573 1.00 0.00 C ATOM 69 O TRP A 8 4.099 -4.604 -6.662 1.00 0.00 O ATOM 70 CB TRP A 8 1.797 -4.191 -8.596 1.00 0.00 C ATOM 71 CG TRP A 8 0.664 -5.147 -8.824 1.00 0.00 C ATOM 72 CD1 TRP A 8 -0.231 -5.126 -9.855 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.307 -6.263 -8.002 1.00 0.00 C ATOM 74 NE1 TRP A 8 -1.123 -6.162 -9.724 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.815 -6.875 -8.596 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.826 -6.807 -6.824 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.424 -8.001 -8.048 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.220 -7.923 -6.282 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.896 -8.512 -6.894 1.00 0.00 C ATOM 0 HA TRP A 8 3.839 -4.028 -9.244 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.762 -3.837 -7.566 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.662 -3.320 -9.237 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.237 -4.401 -10.656 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.891 -6.367 -10.363 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.686 -6.362 -6.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.284 -8.455 -8.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.612 -8.350 -5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.347 -9.385 -6.446 1.00 0.00 H new ATOM 90 N TYR A 9 3.872 -6.680 -7.500 1.00 0.00 N ATOM 91 CA TYR A 9 4.416 -7.335 -6.317 1.00 0.00 C ATOM 92 C TYR A 9 5.905 -7.038 -6.164 1.00 0.00 C ATOM 93 O TYR A 9 6.642 -6.983 -7.148 1.00 0.00 O ATOM 94 CB TYR A 9 4.191 -8.847 -6.397 1.00 0.00 C ATOM 95 CG TYR A 9 4.357 -9.554 -5.071 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.286 -9.691 -4.197 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.583 -10.085 -4.692 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.431 -10.337 -2.984 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.739 -10.733 -3.482 1.00 0.00 C ATOM 100 CZ TYR A 9 4.660 -10.857 -2.631 1.00 0.00 C ATOM 101 OH TYR A 9 4.811 -11.500 -1.424 1.00 0.00 O ATOM 0 H TYR A 9 3.595 -7.318 -8.246 1.00 0.00 H new ATOM 0 HA TYR A 9 3.895 -6.942 -5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.187 -9.037 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.891 -9.273 -7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.323 -9.286 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.430 -9.990 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.588 -10.434 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.700 -11.140 -3.204 1.00 0.00 H new ATOM 0 HH TYR A 9 5.737 -11.807 -1.331 1.00 0.00 H new ATOM 111 N HIS A 10 6.339 -6.847 -4.922 1.00 0.00 N ATOM 112 CA HIS A 10 7.739 -6.556 -4.638 1.00 0.00 C ATOM 113 C HIS A 10 8.338 -7.612 -3.714 1.00 0.00 C ATOM 114 O HIS A 10 9.147 -8.436 -4.137 1.00 0.00 O ATOM 115 CB HIS A 10 7.877 -5.171 -4.006 1.00 0.00 C ATOM 116 CG HIS A 10 8.063 -4.072 -5.006 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.257 -3.404 -5.177 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.198 -3.525 -5.892 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.118 -2.494 -6.123 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.878 -2.546 -6.574 1.00 0.00 N ATOM 0 H HIS A 10 5.741 -6.889 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 10 8.285 -6.572 -5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.988 -4.962 -3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.725 -5.176 -3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.165 -3.806 -6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.888 -1.821 -6.470 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.489 -1.955 -7.309 1.00 0.00 H new ATOM 129 N GLY A 11 7.931 -7.582 -2.448 1.00 0.00 N ATOM 130 CA GLY A 11 8.437 -8.540 -1.483 1.00 0.00 C ATOM 131 C GLY A 11 8.519 -7.966 -0.082 1.00 0.00 C ATOM 132 O GLY A 11 7.695 -7.138 0.305 1.00 0.00 O ATOM 0 H GLY A 11 7.260 -6.911 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.791 -9.418 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.427 -8.875 -1.793 1.00 0.00 H new ATOM 136 N HIS A 12 9.514 -8.408 0.680 1.00 0.00 N ATOM 137 CA HIS A 12 9.699 -7.933 2.047 1.00 0.00 C ATOM 138 C HIS A 12 10.223 -6.500 2.058 1.00 0.00 C ATOM 139 O HIS A 12 11.398 -6.261 2.333 1.00 0.00 O ATOM 140 CB HIS A 12 10.664 -8.848 2.801 1.00 0.00 C ATOM 141 CG HIS A 12 9.989 -9.988 3.497 1.00 0.00 C ATOM 142 ND1 HIS A 12 8.710 -9.910 4.005 1.00 0.00 N ATOM 143 CD2 HIS A 12 10.422 -11.242 3.767 1.00 0.00 C ATOM 144 CE1 HIS A 12 8.385 -11.064 4.558 1.00 0.00 C ATOM 145 NE2 HIS A 12 9.408 -11.890 4.427 1.00 0.00 N ATOM 0 H HIS A 12 10.204 -9.094 0.375 1.00 0.00 H new ATOM 0 HA HIS A 12 8.730 -7.950 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.398 -9.245 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.212 -8.258 3.536 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.108 -9.088 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.386 -11.656 3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.444 -11.294 5.036 1.00 0.00 H new ATOM 154 N MET A 13 9.343 -5.551 1.755 1.00 0.00 N ATOM 155 CA MET A 13 9.718 -4.142 1.731 1.00 0.00 C ATOM 156 C MET A 13 9.349 -3.459 3.044 1.00 0.00 C ATOM 157 O MET A 13 8.170 -3.277 3.351 1.00 0.00 O ATOM 158 CB MET A 13 9.033 -3.431 0.563 1.00 0.00 C ATOM 159 CG MET A 13 9.656 -2.087 0.221 1.00 0.00 C ATOM 160 SD MET A 13 8.745 -1.205 -1.060 1.00 0.00 S ATOM 161 CE MET A 13 8.545 -2.496 -2.286 1.00 0.00 C ATOM 0 H MET A 13 8.366 -5.732 1.523 1.00 0.00 H new ATOM 0 HA MET A 13 10.799 -4.081 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.071 -4.074 -0.316 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.980 -3.284 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.699 -1.472 1.120 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.683 -2.241 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.126 -2.070 -3.198 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.515 -2.942 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.872 -3.262 -1.901 1.00 0.00 H new ATOM 171 N SER A 14 10.364 -3.083 3.816 1.00 0.00 N ATOM 172 CA SER A 14 10.145 -2.423 5.098 1.00 0.00 C ATOM 173 C SER A 14 9.562 -1.028 4.898 1.00 0.00 C ATOM 174 O SER A 14 9.854 -0.355 3.911 1.00 0.00 O ATOM 175 CB SER A 14 11.458 -2.332 5.878 1.00 0.00 C ATOM 176 OG SER A 14 12.340 -3.381 5.517 1.00 0.00 O ATOM 0 H SER A 14 11.345 -3.224 3.576 1.00 0.00 H new ATOM 0 HA SER A 14 9.431 -3.018 5.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.933 -1.370 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.253 -2.377 6.948 1.00 0.00 H new ATOM 0 HG SER A 14 13.172 -3.299 6.028 1.00 0.00 H new ATOM 182 N GLY A 15 8.732 -0.599 5.846 1.00 0.00 N ATOM 183 CA GLY A 15 8.120 0.713 5.757 1.00 0.00 C ATOM 184 C GLY A 15 9.109 1.789 5.357 1.00 0.00 C ATOM 185 O GLY A 15 8.773 2.705 4.605 1.00 0.00 O ATOM 0 H GLY A 15 8.474 -1.137 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.308 0.683 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.678 0.970 6.720 1.00 0.00 H new ATOM 189 N GLY A 16 10.335 1.681 5.861 1.00 0.00 N ATOM 190 CA GLY A 16 11.358 2.660 5.542 1.00 0.00 C ATOM 191 C GLY A 16 11.736 2.647 4.074 1.00 0.00 C ATOM 192 O GLY A 16 12.070 3.684 3.504 1.00 0.00 O ATOM 0 H GLY A 16 10.638 0.933 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.002 3.654 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.245 2.463 6.144 1.00 0.00 H new ATOM 196 N GLN A 17 11.686 1.467 3.463 1.00 0.00 N ATOM 197 CA GLN A 17 12.029 1.324 2.053 1.00 0.00 C ATOM 198 C GLN A 17 10.856 1.723 1.164 1.00 0.00 C ATOM 199 O GLN A 17 11.039 2.370 0.132 1.00 0.00 O ATOM 200 CB GLN A 17 12.444 -0.118 1.752 1.00 0.00 C ATOM 201 CG GLN A 17 12.996 -0.311 0.349 1.00 0.00 C ATOM 202 CD GLN A 17 13.243 -1.769 0.015 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.691 -2.544 0.861 1.00 0.00 O ATOM 204 NE2 GLN A 17 12.952 -2.150 -1.223 1.00 0.00 N ATOM 0 H GLN A 17 11.412 0.598 3.921 1.00 0.00 H new ATOM 0 HA GLN A 17 12.866 1.989 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.197 -0.429 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.582 -0.771 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.297 0.110 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.929 0.244 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.583 -1.474 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.098 -3.119 -1.506 1.00 0.00 H new ATOM 213 N ALA A 18 9.651 1.335 1.571 1.00 0.00 N ATOM 214 CA ALA A 18 8.448 1.654 0.812 1.00 0.00 C ATOM 215 C ALA A 18 8.263 3.163 0.687 1.00 0.00 C ATOM 216 O ALA A 18 8.349 3.719 -0.407 1.00 0.00 O ATOM 217 CB ALA A 18 7.230 1.022 1.465 1.00 0.00 C ATOM 0 H ALA A 18 9.483 0.799 2.422 1.00 0.00 H new ATOM 0 HA ALA A 18 8.561 1.244 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.339 1.268 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.354 -0.060 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.122 1.404 2.480 1.00 0.00 H new ATOM 223 N GLU A 19 8.007 3.818 1.815 1.00 0.00 N ATOM 224 CA GLU A 19 7.807 5.262 1.831 1.00 0.00 C ATOM 225 C GLU A 19 8.882 5.968 1.010 1.00 0.00 C ATOM 226 O GLU A 19 8.611 6.961 0.333 1.00 0.00 O ATOM 227 CB GLU A 19 7.820 5.786 3.268 1.00 0.00 C ATOM 228 CG GLU A 19 6.460 5.739 3.945 1.00 0.00 C ATOM 229 CD GLU A 19 6.328 6.759 5.059 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.109 7.949 4.752 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.443 6.366 6.239 1.00 0.00 O ATOM 0 H GLU A 19 7.933 3.372 2.729 1.00 0.00 H new ATOM 0 HA GLU A 19 6.835 5.474 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.528 5.200 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.181 6.814 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.682 5.915 3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.294 4.741 4.350 1.00 0.00 H new ATOM 238 N THR A 20 10.105 5.451 1.076 1.00 0.00 N ATOM 239 CA THR A 20 11.222 6.032 0.342 1.00 0.00 C ATOM 240 C THR A 20 11.079 5.792 -1.157 1.00 0.00 C ATOM 241 O THR A 20 11.213 6.718 -1.959 1.00 0.00 O ATOM 242 CB THR A 20 12.568 5.452 0.817 1.00 0.00 C ATOM 243 OG1 THR A 20 12.835 5.869 2.161 1.00 0.00 O ATOM 244 CG2 THR A 20 13.701 5.900 -0.094 1.00 0.00 C ATOM 0 H THR A 20 10.347 4.630 1.631 1.00 0.00 H new ATOM 0 HA THR A 20 11.207 7.104 0.539 1.00 0.00 H new ATOM 0 HB THR A 20 12.503 4.365 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.779 5.096 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.641 5.478 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.509 5.555 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.765 6.988 -0.086 1.00 0.00 H new ATOM 252 N LEU A 21 10.806 4.547 -1.528 1.00 0.00 N ATOM 253 CA LEU A 21 10.644 4.185 -2.933 1.00 0.00 C ATOM 254 C LEU A 21 9.508 4.978 -3.571 1.00 0.00 C ATOM 255 O LEU A 21 9.739 5.865 -4.393 1.00 0.00 O ATOM 256 CB LEU A 21 10.373 2.686 -3.066 1.00 0.00 C ATOM 257 CG LEU A 21 11.601 1.776 -3.015 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.188 0.315 -3.123 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.580 2.138 -4.123 1.00 0.00 C ATOM 0 H LEU A 21 10.692 3.770 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 21 11.570 4.427 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.691 2.388 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.856 2.513 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 21 12.098 1.922 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.075 -0.318 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.526 0.062 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.667 0.153 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.448 1.480 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.093 2.021 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.901 3.172 -4.001 1.00 0.00 H new ATOM 271 N LEU A 22 8.278 4.653 -3.185 1.00 0.00 N ATOM 272 CA LEU A 22 7.104 5.335 -3.718 1.00 0.00 C ATOM 273 C LEU A 22 7.360 6.834 -3.855 1.00 0.00 C ATOM 274 O LEU A 22 6.989 7.447 -4.854 1.00 0.00 O ATOM 275 CB LEU A 22 5.895 5.094 -2.813 1.00 0.00 C ATOM 276 CG LEU A 22 5.326 3.675 -2.818 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.547 3.407 -1.540 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.443 3.458 -4.039 1.00 0.00 C ATOM 0 H LEU A 22 8.069 3.922 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 22 6.896 4.928 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.175 5.348 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.103 5.783 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 22 6.157 2.972 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.150 2.392 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.208 3.519 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.724 4.117 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.047 2.443 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.618 4.170 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.031 3.606 -4.945 1.00 0.00 H new ATOM 290 N GLN A 23 7.997 7.414 -2.843 1.00 0.00 N ATOM 291 CA GLN A 23 8.305 8.839 -2.851 1.00 0.00 C ATOM 292 C GLN A 23 9.398 9.155 -3.867 1.00 0.00 C ATOM 293 O GLN A 23 9.357 10.187 -4.536 1.00 0.00 O ATOM 294 CB GLN A 23 8.739 9.297 -1.458 1.00 0.00 C ATOM 295 CG GLN A 23 7.586 9.441 -0.477 1.00 0.00 C ATOM 296 CD GLN A 23 8.046 9.839 0.910 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.192 9.595 1.291 1.00 0.00 O ATOM 298 NE2 GLN A 23 7.154 10.456 1.677 1.00 0.00 N ATOM 0 H GLN A 23 8.310 6.919 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 23 7.402 9.378 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.458 8.583 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.254 10.254 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.886 10.188 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.044 8.497 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.215 10.639 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.408 10.747 2.621 1.00 0.00 H new ATOM 307 N ALA A 24 10.374 8.259 -3.975 1.00 0.00 N ATOM 308 CA ALA A 24 11.477 8.442 -4.911 1.00 0.00 C ATOM 309 C ALA A 24 10.963 8.666 -6.329 1.00 0.00 C ATOM 310 O ALA A 24 11.400 9.585 -7.022 1.00 0.00 O ATOM 311 CB ALA A 24 12.408 7.240 -4.869 1.00 0.00 C ATOM 0 H ALA A 24 10.423 7.400 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 24 12.033 9.330 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.227 7.389 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.810 7.126 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.855 6.341 -5.142 1.00 0.00 H new ATOM 317 N LYS A 25 10.033 7.819 -6.757 1.00 0.00 N ATOM 318 CA LYS A 25 9.457 7.924 -8.093 1.00 0.00 C ATOM 319 C LYS A 25 8.742 9.259 -8.273 1.00 0.00 C ATOM 320 O LYS A 25 8.924 9.940 -9.283 1.00 0.00 O ATOM 321 CB LYS A 25 8.481 6.772 -8.342 1.00 0.00 C ATOM 322 CG LYS A 25 8.271 6.461 -9.813 1.00 0.00 C ATOM 323 CD LYS A 25 7.956 4.991 -10.033 1.00 0.00 C ATOM 324 CE LYS A 25 7.612 4.706 -11.487 1.00 0.00 C ATOM 325 NZ LYS A 25 6.296 5.289 -11.871 1.00 0.00 N ATOM 0 H LYS A 25 9.662 7.051 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 25 10.269 7.866 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.851 5.878 -7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.520 7.017 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.456 7.071 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.166 6.730 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.812 4.386 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.121 4.697 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.391 5.113 -12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.594 3.629 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.800 4.636 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.721 5.440 -11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.446 6.198 -12.353 1.00 0.00 H new ATOM 339 N GLY A 26 7.929 9.628 -7.289 1.00 0.00 N ATOM 340 CA GLY A 26 7.201 10.881 -7.359 1.00 0.00 C ATOM 341 C GLY A 26 5.953 10.779 -8.215 1.00 0.00 C ATOM 342 O GLY A 26 5.650 11.685 -8.991 1.00 0.00 O ATOM 0 H GLY A 26 7.761 9.082 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.923 11.193 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.853 11.655 -7.764 1.00 0.00 H new ATOM 346 N GLU A 27 5.230 9.673 -8.076 1.00 0.00 N ATOM 347 CA GLU A 27 4.011 9.457 -8.844 1.00 0.00 C ATOM 348 C GLU A 27 2.811 9.261 -7.921 1.00 0.00 C ATOM 349 O GLU A 27 2.773 8.348 -7.097 1.00 0.00 O ATOM 350 CB GLU A 27 4.167 8.239 -9.759 1.00 0.00 C ATOM 351 CG GLU A 27 4.896 8.542 -11.057 1.00 0.00 C ATOM 352 CD GLU A 27 4.209 9.620 -11.874 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.965 9.707 -11.813 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.915 10.374 -12.574 1.00 0.00 O ATOM 0 H GLU A 27 5.468 8.913 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 27 3.837 10.343 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.707 7.459 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.179 7.841 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.915 8.856 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.967 7.631 -11.651 1.00 0.00 H new ATOM 361 N PRO A 28 1.808 10.140 -8.062 1.00 0.00 N ATOM 362 CA PRO A 28 0.589 10.087 -7.249 1.00 0.00 C ATOM 363 C PRO A 28 -0.285 8.885 -7.593 1.00 0.00 C ATOM 364 O PRO A 28 -0.359 8.471 -8.751 1.00 0.00 O ATOM 365 CB PRO A 28 -0.130 11.391 -7.602 1.00 0.00 C ATOM 366 CG PRO A 28 0.364 11.739 -8.963 1.00 0.00 C ATOM 367 CD PRO A 28 1.786 11.254 -9.024 1.00 0.00 C ATOM 0 HA PRO A 28 0.811 9.982 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.212 11.261 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.101 12.178 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.244 11.263 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.311 12.814 -9.134 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.055 10.924 -10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.490 12.038 -8.747 1.00 0.00 H new ATOM 375 N TRP A 29 -0.944 8.331 -6.583 1.00 0.00 N ATOM 376 CA TRP A 29 -1.814 7.176 -6.780 1.00 0.00 C ATOM 377 C TRP A 29 -1.002 5.941 -7.154 1.00 0.00 C ATOM 378 O TRP A 29 -1.432 5.128 -7.973 1.00 0.00 O ATOM 379 CB TRP A 29 -2.848 7.471 -7.868 1.00 0.00 C ATOM 380 CG TRP A 29 -3.598 8.749 -7.644 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.772 9.765 -8.541 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.272 9.149 -6.445 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.514 10.772 -7.971 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.834 10.418 -6.688 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.457 8.558 -5.193 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.566 11.104 -5.721 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.183 9.240 -4.236 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.731 10.502 -4.504 1.00 0.00 C ATOM 0 H TRP A 29 -0.893 8.662 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.331 6.977 -5.841 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.345 7.518 -8.834 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.558 6.645 -7.918 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.384 9.775 -9.549 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.783 11.642 -8.430 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.040 7.585 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.988 12.077 -5.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.331 8.793 -3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.294 11.009 -3.735 1.00 0.00 H new ATOM 399 N THR A 30 0.173 5.805 -6.548 1.00 0.00 N ATOM 400 CA THR A 30 1.045 4.668 -6.819 1.00 0.00 C ATOM 401 C THR A 30 0.977 3.644 -5.693 1.00 0.00 C ATOM 402 O THR A 30 1.411 3.908 -4.571 1.00 0.00 O ATOM 403 CB THR A 30 2.508 5.114 -7.004 1.00 0.00 C ATOM 404 OG1 THR A 30 2.613 5.995 -8.130 1.00 0.00 O ATOM 405 CG2 THR A 30 3.418 3.913 -7.207 1.00 0.00 C ATOM 0 H THR A 30 0.543 6.468 -5.866 1.00 0.00 H new ATOM 0 HA THR A 30 0.692 4.212 -7.744 1.00 0.00 H new ATOM 0 HB THR A 30 2.822 5.639 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.914 6.877 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.446 4.253 -7.335 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.358 3.260 -6.337 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.104 3.364 -8.095 1.00 0.00 H new ATOM 413 N PHE A 31 0.431 2.471 -5.999 1.00 0.00 N ATOM 414 CA PHE A 31 0.307 1.405 -5.011 1.00 0.00 C ATOM 415 C PHE A 31 1.324 0.299 -5.275 1.00 0.00 C ATOM 416 O PHE A 31 1.740 0.079 -6.413 1.00 0.00 O ATOM 417 CB PHE A 31 -1.110 0.827 -5.030 1.00 0.00 C ATOM 418 CG PHE A 31 -1.275 -0.324 -5.981 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.382 -0.103 -7.344 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.324 -1.627 -5.511 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.534 -1.159 -8.223 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.475 -2.687 -6.384 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.582 -2.453 -7.741 1.00 0.00 C ATOM 0 H PHE A 31 0.068 2.235 -6.922 1.00 0.00 H new ATOM 0 HA PHE A 31 0.506 1.829 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.373 0.498 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.812 1.616 -5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.346 0.907 -7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.243 -1.816 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.615 -0.973 -9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.509 -3.698 -6.006 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.703 -3.280 -8.424 1.00 0.00 H new ATOM 433 N LEU A 32 1.721 -0.397 -4.214 1.00 0.00 N ATOM 434 CA LEU A 32 2.690 -1.480 -4.329 1.00 0.00 C ATOM 435 C LEU A 32 2.459 -2.534 -3.249 1.00 0.00 C ATOM 436 O LEU A 32 2.152 -2.206 -2.103 1.00 0.00 O ATOM 437 CB LEU A 32 4.114 -0.932 -4.226 1.00 0.00 C ATOM 438 CG LEU A 32 4.688 -0.815 -2.814 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.331 -2.127 -2.389 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.695 0.322 -2.739 1.00 0.00 C ATOM 0 H LEU A 32 1.386 -0.230 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 32 2.559 -1.949 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.772 -1.574 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.136 0.055 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 32 3.870 -0.595 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.734 -2.025 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.583 -2.920 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.137 -2.377 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.093 0.390 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.510 0.133 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.205 1.260 -3.000 1.00 0.00 H new ATOM 452 N VAL A 33 2.612 -3.800 -3.623 1.00 0.00 N ATOM 453 CA VAL A 33 2.424 -4.901 -2.686 1.00 0.00 C ATOM 454 C VAL A 33 3.747 -5.316 -2.053 1.00 0.00 C ATOM 455 O VAL A 33 4.736 -5.542 -2.750 1.00 0.00 O ATOM 456 CB VAL A 33 1.792 -6.124 -3.378 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.676 -7.288 -2.404 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.431 -5.765 -3.956 1.00 0.00 C ATOM 0 H VAL A 33 2.866 -4.089 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 33 1.749 -4.544 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 33 2.441 -6.431 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.228 -8.143 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.668 -7.560 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.050 -6.996 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.001 -6.640 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.228 -5.432 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.546 -4.965 -4.687 1.00 0.00 H new ATOM 468 N ARG A 34 3.756 -5.416 -0.728 1.00 0.00 N ATOM 469 CA ARG A 34 4.958 -5.804 0.000 1.00 0.00 C ATOM 470 C ARG A 34 4.649 -6.900 1.016 1.00 0.00 C ATOM 471 O ARG A 34 3.518 -7.375 1.105 1.00 0.00 O ATOM 472 CB ARG A 34 5.564 -4.592 0.710 1.00 0.00 C ATOM 473 CG ARG A 34 4.532 -3.571 1.161 1.00 0.00 C ATOM 474 CD ARG A 34 5.189 -2.367 1.816 1.00 0.00 C ATOM 475 NE ARG A 34 5.526 -2.620 3.215 1.00 0.00 N ATOM 476 CZ ARG A 34 5.645 -1.663 4.127 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.455 -0.394 3.791 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.954 -1.973 5.380 1.00 0.00 N ATOM 0 H ARG A 34 2.945 -5.234 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 34 5.678 -6.192 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.127 -4.934 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.274 -4.107 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.943 -3.244 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.841 -4.037 1.863 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.093 -2.104 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.518 -1.510 1.754 1.00 0.00 H new ATOM 0 HE ARG A 34 5.678 -3.585 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.217 -0.151 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.547 0.339 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.100 -2.948 5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.045 -1.237 6.080 1.00 0.00 H new ATOM 492 N GLU A 35 5.664 -7.295 1.780 1.00 0.00 N ATOM 493 CA GLU A 35 5.499 -8.336 2.788 1.00 0.00 C ATOM 494 C GLU A 35 5.895 -7.822 4.170 1.00 0.00 C ATOM 495 O GLU A 35 7.062 -7.519 4.420 1.00 0.00 O ATOM 496 CB GLU A 35 6.339 -9.563 2.429 1.00 0.00 C ATOM 497 CG GLU A 35 5.676 -10.478 1.414 1.00 0.00 C ATOM 498 CD GLU A 35 4.771 -11.510 2.062 1.00 0.00 C ATOM 499 OE1 GLU A 35 3.851 -11.108 2.803 1.00 0.00 O ATOM 500 OE2 GLU A 35 4.986 -12.718 1.827 1.00 0.00 O ATOM 0 H GLU A 35 6.607 -6.911 1.720 1.00 0.00 H new ATOM 0 HA GLU A 35 4.447 -8.620 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.300 -9.232 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.545 -10.130 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.094 -9.878 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.445 -10.988 0.833 1.00 0.00 H new ATOM 507 N SER A 36 4.915 -7.725 5.062 1.00 0.00 N ATOM 508 CA SER A 36 5.159 -7.244 6.416 1.00 0.00 C ATOM 509 C SER A 36 6.521 -7.710 6.922 1.00 0.00 C ATOM 510 O SER A 36 6.987 -8.796 6.573 1.00 0.00 O ATOM 511 CB SER A 36 4.058 -7.732 7.361 1.00 0.00 C ATOM 512 OG SER A 36 4.089 -7.026 8.588 1.00 0.00 O ATOM 0 H SER A 36 3.944 -7.973 4.871 1.00 0.00 H new ATOM 0 HA SER A 36 5.152 -6.154 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.085 -7.602 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.182 -8.799 7.548 1.00 0.00 H new ATOM 0 HG SER A 36 3.375 -7.355 9.173 1.00 0.00 H new ATOM 586 N ASP A 42 1.929 -11.929 6.870 1.00 0.00 N ATOM 587 CA ASP A 42 1.038 -10.803 6.611 1.00 0.00 C ATOM 588 C ASP A 42 1.638 -9.865 5.568 1.00 0.00 C ATOM 589 O ASP A 42 2.845 -9.624 5.556 1.00 0.00 O ATOM 590 CB ASP A 42 0.759 -10.037 7.905 1.00 0.00 C ATOM 591 CG ASP A 42 -0.236 -10.750 8.797 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.026 -11.948 9.081 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.227 -10.112 9.211 1.00 0.00 O ATOM 0 HA ASP A 42 0.099 -11.196 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.693 -9.895 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.378 -9.045 7.662 1.00 0.00 H new ATOM 598 N PHE A 43 0.786 -9.339 4.694 1.00 0.00 N ATOM 599 CA PHE A 43 1.233 -8.428 3.645 1.00 0.00 C ATOM 600 C PHE A 43 0.847 -6.989 3.974 1.00 0.00 C ATOM 601 O PHE A 43 -0.010 -6.743 4.823 1.00 0.00 O ATOM 602 CB PHE A 43 0.632 -8.834 2.298 1.00 0.00 C ATOM 603 CG PHE A 43 0.956 -10.245 1.897 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.334 -11.316 2.517 1.00 0.00 C ATOM 605 CD2 PHE A 43 1.884 -10.500 0.901 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.631 -12.616 2.151 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.185 -11.797 0.529 1.00 0.00 C ATOM 608 CZ PHE A 43 1.558 -12.856 1.156 1.00 0.00 C ATOM 0 H PHE A 43 -0.216 -9.527 4.691 1.00 0.00 H new ATOM 0 HA PHE A 43 2.320 -8.489 3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.451 -8.717 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.995 -8.154 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.392 -11.134 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.379 -9.676 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.139 -13.442 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.909 -11.982 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.792 -13.870 0.869 1.00 0.00 H new ATOM 618 N VAL A 44 1.486 -6.042 3.297 1.00 0.00 N ATOM 619 CA VAL A 44 1.211 -4.626 3.515 1.00 0.00 C ATOM 620 C VAL A 44 0.994 -3.899 2.193 1.00 0.00 C ATOM 621 O VAL A 44 1.758 -4.072 1.244 1.00 0.00 O ATOM 622 CB VAL A 44 2.358 -3.943 4.283 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.167 -2.435 4.297 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.452 -4.491 5.699 1.00 0.00 C ATOM 0 H VAL A 44 2.199 -6.229 2.592 1.00 0.00 H new ATOM 0 HA VAL A 44 0.300 -4.568 4.111 1.00 0.00 H new ATOM 0 HB VAL A 44 3.295 -4.161 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.987 -1.969 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.155 -2.060 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.222 -2.192 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.268 -3.997 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.515 -4.305 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.641 -5.564 5.662 1.00 0.00 H new ATOM 634 N LEU A 45 -0.053 -3.082 2.140 1.00 0.00 N ATOM 635 CA LEU A 45 -0.371 -2.325 0.933 1.00 0.00 C ATOM 636 C LEU A 45 0.049 -0.866 1.080 1.00 0.00 C ATOM 637 O LEU A 45 -0.494 -0.133 1.907 1.00 0.00 O ATOM 638 CB LEU A 45 -1.869 -2.409 0.636 1.00 0.00 C ATOM 639 CG LEU A 45 -2.265 -2.347 -0.840 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.237 -0.910 -1.339 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.343 -3.222 -1.676 1.00 0.00 C ATOM 0 H LEU A 45 -0.695 -2.927 2.917 1.00 0.00 H new ATOM 0 HA LEU A 45 0.183 -2.762 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.251 -3.340 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.369 -1.595 1.160 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.282 -2.726 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.521 -0.885 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.938 -0.310 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.232 -0.505 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.639 -3.166 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.316 -2.873 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.413 -4.255 -1.334 1.00 0.00 H new ATOM 653 N SER A 46 1.019 -0.451 0.270 1.00 0.00 N ATOM 654 CA SER A 46 1.512 0.920 0.309 1.00 0.00 C ATOM 655 C SER A 46 1.049 1.701 -0.917 1.00 0.00 C ATOM 656 O SER A 46 1.249 1.268 -2.053 1.00 0.00 O ATOM 657 CB SER A 46 3.040 0.933 0.390 1.00 0.00 C ATOM 658 OG SER A 46 3.482 0.708 1.718 1.00 0.00 O ATOM 0 H SER A 46 1.478 -1.045 -0.420 1.00 0.00 H new ATOM 0 HA SER A 46 1.104 1.401 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.449 0.166 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.418 1.892 0.035 1.00 0.00 H new ATOM 0 HG SER A 46 4.137 1.394 1.966 1.00 0.00 H new ATOM 664 N VAL A 47 0.432 2.853 -0.680 1.00 0.00 N ATOM 665 CA VAL A 47 -0.058 3.695 -1.765 1.00 0.00 C ATOM 666 C VAL A 47 0.317 5.155 -1.540 1.00 0.00 C ATOM 667 O VAL A 47 0.143 5.691 -0.444 1.00 0.00 O ATOM 668 CB VAL A 47 -1.588 3.587 -1.913 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.022 4.028 -3.303 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.051 2.166 -1.627 1.00 0.00 C ATOM 0 H VAL A 47 0.259 3.225 0.254 1.00 0.00 H new ATOM 0 HA VAL A 47 0.414 3.338 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.054 4.251 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.105 3.945 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.723 5.063 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.549 3.392 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.134 2.107 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.578 1.481 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.773 1.891 -0.610 1.00 0.00 H new ATOM 680 N LEU A 48 0.833 5.796 -2.583 1.00 0.00 N ATOM 681 CA LEU A 48 1.233 7.196 -2.500 1.00 0.00 C ATOM 682 C LEU A 48 0.076 8.116 -2.880 1.00 0.00 C ATOM 683 O LEU A 48 -0.472 8.021 -3.977 1.00 0.00 O ATOM 684 CB LEU A 48 2.430 7.460 -3.415 1.00 0.00 C ATOM 685 CG LEU A 48 3.203 8.754 -3.153 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.901 8.695 -1.803 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.209 9.009 -4.265 1.00 0.00 C ATOM 0 H LEU A 48 0.984 5.368 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 48 1.518 7.406 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.122 6.623 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.078 7.473 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 48 2.493 9.581 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.446 9.624 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.159 8.561 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.599 7.858 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.749 9.934 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.915 8.180 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.685 9.097 -5.217 1.00 0.00 H new ATOM 699 N SER A 49 -0.288 9.009 -1.964 1.00 0.00 N ATOM 700 CA SER A 49 -1.379 9.946 -2.201 1.00 0.00 C ATOM 701 C SER A 49 -0.894 11.156 -2.993 1.00 0.00 C ATOM 702 O SER A 49 0.302 11.313 -3.238 1.00 0.00 O ATOM 703 CB SER A 49 -1.986 10.402 -0.873 1.00 0.00 C ATOM 704 OG SER A 49 -1.067 11.187 -0.134 1.00 0.00 O ATOM 0 H SER A 49 0.157 9.103 -1.051 1.00 0.00 H new ATOM 0 HA SER A 49 -2.144 9.434 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.891 10.979 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.280 9.532 -0.286 1.00 0.00 H new ATOM 0 HG SER A 49 -0.329 10.622 0.176 1.00 0.00 H new ATOM 710 N ASP A 50 -1.831 12.009 -3.393 1.00 0.00 N ATOM 711 CA ASP A 50 -1.502 13.206 -4.157 1.00 0.00 C ATOM 712 C ASP A 50 -1.371 14.417 -3.239 1.00 0.00 C ATOM 713 O ASP A 50 -1.262 15.551 -3.705 1.00 0.00 O ATOM 714 CB ASP A 50 -2.568 13.468 -5.221 1.00 0.00 C ATOM 715 CG ASP A 50 -3.689 14.351 -4.711 1.00 0.00 C ATOM 716 OD1 ASP A 50 -3.527 15.589 -4.736 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.729 13.806 -4.285 1.00 0.00 O ATOM 0 H ASP A 50 -2.826 11.893 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.544 13.041 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.104 13.939 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.982 12.518 -5.558 1.00 0.00 H new ATOM 722 N GLN A 51 -1.386 14.169 -1.934 1.00 0.00 N ATOM 723 CA GLN A 51 -1.271 15.240 -0.951 1.00 0.00 C ATOM 724 C GLN A 51 0.051 15.148 -0.197 1.00 0.00 C ATOM 725 O GLN A 51 0.411 14.105 0.350 1.00 0.00 O ATOM 726 CB GLN A 51 -2.439 15.183 0.034 1.00 0.00 C ATOM 727 CG GLN A 51 -3.746 15.708 -0.539 1.00 0.00 C ATOM 728 CD GLN A 51 -4.817 15.885 0.518 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.655 16.663 1.458 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.922 15.163 0.369 1.00 0.00 N ATOM 0 H GLN A 51 -1.477 13.236 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.299 16.191 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.582 14.151 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.183 15.761 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.565 16.664 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.106 15.019 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.014 14.530 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.678 15.242 1.049 1.00 0.00 H new ATOM 739 N PRO A 52 0.794 16.264 -0.166 1.00 0.00 N ATOM 740 CA PRO A 52 2.088 16.335 0.519 1.00 0.00 C ATOM 741 C PRO A 52 1.947 16.270 2.036 1.00 0.00 C ATOM 742 O PRO A 52 0.913 16.645 2.590 1.00 0.00 O ATOM 743 CB PRO A 52 2.642 17.697 0.091 1.00 0.00 C ATOM 744 CG PRO A 52 1.438 18.508 -0.239 1.00 0.00 C ATOM 745 CD PRO A 52 0.427 17.544 -0.796 1.00 0.00 C ATOM 0 HA PRO A 52 2.733 15.496 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.223 18.157 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.304 17.602 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.051 19.010 0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.678 19.284 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.591 17.839 -0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.482 17.487 -1.883 1.00 0.00 H new ATOM 753 N LYS A 53 2.991 15.791 2.703 1.00 0.00 N ATOM 754 CA LYS A 53 2.985 15.678 4.157 1.00 0.00 C ATOM 755 C LYS A 53 3.276 17.026 4.809 1.00 0.00 C ATOM 756 O LYS A 53 2.779 17.321 5.895 1.00 0.00 O ATOM 757 CB LYS A 53 4.017 14.645 4.613 1.00 0.00 C ATOM 758 CG LYS A 53 5.438 14.979 4.194 1.00 0.00 C ATOM 759 CD LYS A 53 6.393 13.838 4.503 1.00 0.00 C ATOM 760 CE LYS A 53 6.498 13.589 5.999 1.00 0.00 C ATOM 761 NZ LYS A 53 5.379 12.743 6.501 1.00 0.00 N ATOM 0 H LYS A 53 3.853 15.474 2.260 1.00 0.00 H new ATOM 0 HA LYS A 53 1.992 15.352 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.978 14.560 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.747 13.670 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.462 15.196 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.768 15.881 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.051 12.931 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.380 14.069 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.448 13.103 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.497 14.543 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.754 13.316 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.837 12.370 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.764 11.952 7.056 1.00 0.00 H new ATOM 813 N SER A 58 7.476 19.018 0.051 1.00 0.00 N ATOM 814 CA SER A 58 7.594 17.757 0.772 1.00 0.00 C ATOM 815 C SER A 58 7.021 16.606 -0.049 1.00 0.00 C ATOM 816 O SER A 58 6.160 16.792 -0.909 1.00 0.00 O ATOM 817 CB SER A 58 6.874 17.846 2.118 1.00 0.00 C ATOM 818 OG SER A 58 5.581 18.406 1.970 1.00 0.00 O ATOM 0 HA SER A 58 8.653 17.564 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.795 16.852 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.460 18.454 2.808 1.00 0.00 H new ATOM 0 HG SER A 58 5.555 18.959 1.162 1.00 0.00 H new ATOM 824 N PRO A 59 7.510 15.387 0.221 1.00 0.00 N ATOM 825 CA PRO A 59 7.060 14.180 -0.480 1.00 0.00 C ATOM 826 C PRO A 59 5.631 13.796 -0.115 1.00 0.00 C ATOM 827 O PRO A 59 5.202 13.970 1.025 1.00 0.00 O ATOM 828 CB PRO A 59 8.041 13.106 -0.003 1.00 0.00 C ATOM 829 CG PRO A 59 8.516 13.590 1.323 1.00 0.00 C ATOM 830 CD PRO A 59 8.538 15.091 1.233 1.00 0.00 C ATOM 0 HA PRO A 59 7.049 14.317 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.554 12.134 0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.869 12.988 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.852 13.257 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.508 13.198 1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.304 15.555 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.518 15.461 0.931 1.00 0.00 H new ATOM 838 N LEU A 60 4.897 13.271 -1.091 1.00 0.00 N ATOM 839 CA LEU A 60 3.514 12.861 -0.873 1.00 0.00 C ATOM 840 C LEU A 60 3.414 11.884 0.294 1.00 0.00 C ATOM 841 O LEU A 60 4.327 11.095 0.536 1.00 0.00 O ATOM 842 CB LEU A 60 2.945 12.220 -2.139 1.00 0.00 C ATOM 843 CG LEU A 60 2.440 13.186 -3.211 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.228 14.487 -3.172 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.530 12.547 -4.590 1.00 0.00 C ATOM 0 H LEU A 60 5.237 13.119 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 60 2.932 13.750 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.716 11.589 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.123 11.565 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 60 1.394 13.413 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.854 15.162 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.112 14.953 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.283 14.279 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.166 13.249 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.567 12.291 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.921 11.643 -4.613 1.00 0.00 H new ATOM 857 N ARG A 61 2.298 11.942 1.014 1.00 0.00 N ATOM 858 CA ARG A 61 2.078 11.061 2.156 1.00 0.00 C ATOM 859 C ARG A 61 1.723 9.651 1.693 1.00 0.00 C ATOM 860 O ARG A 61 0.970 9.471 0.735 1.00 0.00 O ATOM 861 CB ARG A 61 0.963 11.614 3.045 1.00 0.00 C ATOM 862 CG ARG A 61 0.602 10.700 4.205 1.00 0.00 C ATOM 863 CD ARG A 61 0.094 11.493 5.399 1.00 0.00 C ATOM 864 NE ARG A 61 -0.575 10.639 6.379 1.00 0.00 N ATOM 865 CZ ARG A 61 -1.398 11.098 7.314 1.00 0.00 C ATOM 866 NH1 ARG A 61 -1.654 12.397 7.397 1.00 0.00 N ATOM 867 NH2 ARG A 61 -1.968 10.259 8.169 1.00 0.00 N ATOM 0 H ARG A 61 1.532 12.589 0.827 1.00 0.00 H new ATOM 0 HA ARG A 61 3.002 11.014 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.270 12.583 3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.075 11.784 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.161 9.990 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.476 10.119 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.929 12.006 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.598 12.262 5.056 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.400 9.635 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.218 13.046 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.287 12.747 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.774 9.259 8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.600 10.614 8.887 1.00 0.00 H new ATOM 881 N VAL A 62 2.271 8.653 2.380 1.00 0.00 N ATOM 882 CA VAL A 62 2.012 7.259 2.040 1.00 0.00 C ATOM 883 C VAL A 62 1.056 6.618 3.040 1.00 0.00 C ATOM 884 O VAL A 62 0.971 7.042 4.194 1.00 0.00 O ATOM 885 CB VAL A 62 3.316 6.440 1.996 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.013 4.964 1.793 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.234 6.961 0.900 1.00 0.00 C ATOM 0 H VAL A 62 2.897 8.784 3.175 1.00 0.00 H new ATOM 0 HA VAL A 62 1.555 7.254 1.050 1.00 0.00 H new ATOM 0 HB VAL A 62 3.828 6.552 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.946 4.402 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.396 4.603 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.479 4.828 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.151 6.372 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.732 6.880 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.478 8.005 1.095 1.00 0.00 H new ATOM 897 N THR A 63 0.338 5.593 2.592 1.00 0.00 N ATOM 898 CA THR A 63 -0.613 4.894 3.447 1.00 0.00 C ATOM 899 C THR A 63 -0.298 3.404 3.516 1.00 0.00 C ATOM 900 O THR A 63 -0.323 2.707 2.501 1.00 0.00 O ATOM 901 CB THR A 63 -2.058 5.079 2.948 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.359 6.473 2.824 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.047 4.424 3.901 1.00 0.00 C ATOM 0 H THR A 63 0.397 5.228 1.641 1.00 0.00 H new ATOM 0 HA THR A 63 -0.522 5.328 4.443 1.00 0.00 H new ATOM 0 HB THR A 63 -2.146 4.601 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.304 6.624 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.061 4.568 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.833 3.357 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.956 4.877 4.888 1.00 0.00 H new ATOM 911 N HIS A 64 -0.001 2.921 4.718 1.00 0.00 N ATOM 912 CA HIS A 64 0.319 1.512 4.919 1.00 0.00 C ATOM 913 C HIS A 64 -0.912 0.738 5.381 1.00 0.00 C ATOM 914 O HIS A 64 -1.266 0.763 6.560 1.00 0.00 O ATOM 915 CB HIS A 64 1.444 1.364 5.944 1.00 0.00 C ATOM 916 CG HIS A 64 2.648 2.199 5.636 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.460 1.977 4.543 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.176 3.264 6.284 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.436 2.867 4.534 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.286 3.660 5.580 1.00 0.00 N ATOM 0 H HIS A 64 0.025 3.484 5.568 1.00 0.00 H new ATOM 0 HA HIS A 64 0.650 1.099 3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.065 1.637 6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.742 0.317 5.996 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.327 1.240 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.795 3.718 7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.223 2.935 3.797 1.00 0.00 H new ATOM 929 N ILE A 65 -1.558 0.051 4.446 1.00 0.00 N ATOM 930 CA ILE A 65 -2.748 -0.732 4.758 1.00 0.00 C ATOM 931 C ILE A 65 -2.429 -2.223 4.805 1.00 0.00 C ATOM 932 O ILE A 65 -2.402 -2.896 3.776 1.00 0.00 O ATOM 933 CB ILE A 65 -3.866 -0.491 3.726 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.020 1.006 3.449 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.179 -1.080 4.221 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.673 1.311 2.119 1.00 0.00 C ATOM 0 H ILE A 65 -1.278 0.020 3.466 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.092 -0.405 5.739 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.594 -0.988 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.612 1.456 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.037 1.476 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.959 -0.902 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.062 -2.153 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.457 -0.608 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.749 2.391 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.071 0.891 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.670 0.871 2.094 1.00 0.00 H new ATOM 948 N LYS A 66 -2.189 -2.731 6.009 1.00 0.00 N ATOM 949 CA LYS A 66 -1.875 -4.143 6.194 1.00 0.00 C ATOM 950 C LYS A 66 -3.019 -5.024 5.701 1.00 0.00 C ATOM 951 O LYS A 66 -4.186 -4.765 5.994 1.00 0.00 O ATOM 952 CB LYS A 66 -1.593 -4.435 7.669 1.00 0.00 C ATOM 953 CG LYS A 66 -2.575 -3.773 8.619 1.00 0.00 C ATOM 954 CD LYS A 66 -2.406 -4.283 10.041 1.00 0.00 C ATOM 955 CE LYS A 66 -2.733 -3.204 11.062 1.00 0.00 C ATOM 956 NZ LYS A 66 -4.202 -3.007 11.210 1.00 0.00 N ATOM 0 H LYS A 66 -2.206 -2.186 6.871 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.985 -4.371 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.617 -5.513 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.584 -4.100 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.430 -2.693 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.594 -3.964 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.055 -5.144 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.381 -4.625 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.304 -3.475 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.269 -2.265 10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.383 -2.264 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.608 -2.724 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.642 -3.896 11.524 1.00 0.00 H new ATOM 970 N VAL A 67 -2.675 -6.067 4.951 1.00 0.00 N ATOM 971 CA VAL A 67 -3.674 -6.988 4.420 1.00 0.00 C ATOM 972 C VAL A 67 -3.666 -8.308 5.184 1.00 0.00 C ATOM 973 O VAL A 67 -2.641 -8.983 5.266 1.00 0.00 O ATOM 974 CB VAL A 67 -3.435 -7.272 2.926 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.490 -8.227 2.388 1.00 0.00 C ATOM 976 CG2 VAL A 67 -3.426 -5.974 2.132 1.00 0.00 C ATOM 0 H VAL A 67 -1.714 -6.295 4.698 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.645 -6.507 4.541 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.460 -7.746 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.305 -8.416 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.444 -9.167 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.478 -7.783 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.256 -6.193 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.386 -5.470 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.630 -5.327 2.501 1.00 0.00 H new ATOM 986 N MET A 68 -4.817 -8.668 5.743 1.00 0.00 N ATOM 987 CA MET A 68 -4.943 -9.908 6.499 1.00 0.00 C ATOM 988 C MET A 68 -5.248 -11.082 5.573 1.00 0.00 C ATOM 989 O MET A 68 -6.239 -11.066 4.842 1.00 0.00 O ATOM 990 CB MET A 68 -6.043 -9.778 7.554 1.00 0.00 C ATOM 991 CG MET A 68 -5.730 -8.757 8.635 1.00 0.00 C ATOM 992 SD MET A 68 -5.971 -7.058 8.080 1.00 0.00 S ATOM 993 CE MET A 68 -7.571 -6.692 8.797 1.00 0.00 C ATOM 0 H MET A 68 -5.675 -8.119 5.687 1.00 0.00 H new ATOM 0 HA MET A 68 -3.992 -10.098 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.975 -9.500 7.063 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.205 -10.750 8.020 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.364 -8.945 9.501 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.698 -8.885 8.962 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.704 -5.612 8.857 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.356 -7.120 8.173 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.628 -7.121 9.797 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.390 -12.095 5.608 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.568 -13.277 4.771 1.00 0.00 C ATOM 1005 C CYS A 69 -5.442 -14.312 5.469 1.00 0.00 C ATOM 1006 O CYS A 69 -5.170 -14.704 6.604 1.00 0.00 O ATOM 1007 CB CYS A 69 -3.210 -13.888 4.423 1.00 0.00 C ATOM 1008 SG CYS A 69 -3.315 -15.451 3.518 1.00 0.00 S ATOM 0 H CYS A 69 -3.564 -12.122 6.206 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.067 -12.970 3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.643 -13.173 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.650 -14.050 5.344 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.259 -15.374 2.627 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.395 -16.368 0.900 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.224 -15.203 0.615 1.00 0.00 C ATOM 1045 C ARG A 73 -6.633 -13.948 1.252 1.00 0.00 C ATOM 1046 O ARG A 73 -5.632 -14.012 1.964 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.647 -15.427 1.128 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.547 -16.145 0.136 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.652 -16.916 0.841 1.00 0.00 C ATOM 1050 NE ARG A 73 -11.149 -18.024 0.030 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.919 -18.996 0.508 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.277 -18.996 1.784 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.333 -19.970 -0.293 1.00 0.00 N ATOM 0 HA ARG A 73 -7.253 -15.062 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.604 -16.005 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.091 -14.463 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.988 -15.420 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.951 -16.831 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.277 -17.301 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.474 -16.240 1.074 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.891 -18.054 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.961 -18.249 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.868 -19.743 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.060 -19.973 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.924 -20.716 0.074 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.261 -12.807 0.988 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.797 -11.536 1.531 1.00 0.00 C ATOM 1069 C TYR A 74 -7.974 -10.623 1.863 1.00 0.00 C ATOM 1070 O TYR A 74 -8.943 -10.540 1.108 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.863 -10.843 0.537 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.666 -11.680 0.147 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.514 -11.686 0.925 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.686 -12.464 -1.000 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.418 -12.448 0.572 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.594 -13.230 -1.359 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.462 -13.218 -0.571 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.373 -13.980 -0.926 1.00 0.00 O ATOM 0 H TYR A 74 -8.092 -12.737 0.401 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.249 -11.741 2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.426 -10.588 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.515 -9.906 0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.476 -11.084 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.570 -12.475 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.531 -12.441 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.626 -13.836 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.568 -14.463 -1.756 1.00 0.00 H new ATOM 1088 N THR A 75 -7.881 -9.938 2.999 1.00 0.00 N ATOM 1089 CA THR A 75 -8.935 -9.030 3.432 1.00 0.00 C ATOM 1090 C THR A 75 -8.359 -7.836 4.183 1.00 0.00 C ATOM 1091 O THR A 75 -7.201 -7.852 4.599 1.00 0.00 O ATOM 1092 CB THR A 75 -9.956 -9.747 4.337 1.00 0.00 C ATOM 1093 OG1 THR A 75 -11.122 -8.933 4.501 1.00 0.00 O ATOM 1094 CG2 THR A 75 -9.350 -10.055 5.698 1.00 0.00 C ATOM 0 H THR A 75 -7.086 -9.995 3.635 1.00 0.00 H new ATOM 0 HA THR A 75 -9.440 -8.680 2.532 1.00 0.00 H new ATOM 0 HB THR A 75 -10.234 -10.687 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.413 -8.962 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.089 -10.561 6.319 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.480 -10.699 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.046 -9.126 6.180 1.00 0.00 H new ATOM 1102 N VAL A 76 -9.175 -6.800 4.353 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.746 -5.597 5.055 1.00 0.00 C ATOM 1104 C VAL A 76 -9.921 -4.918 5.750 1.00 0.00 C ATOM 1105 O VAL A 76 -10.824 -4.396 5.098 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.083 -4.592 4.095 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.741 -5.124 3.610 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.002 -4.291 2.921 1.00 0.00 C ATOM 0 H VAL A 76 -10.137 -6.770 4.014 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.016 -5.910 5.802 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.905 -3.662 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.286 -4.401 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.083 -5.285 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.892 -6.068 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.517 -3.579 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.213 -5.213 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.935 -3.865 3.289 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.902 -4.928 7.080 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.972 -4.310 7.841 1.00 0.00 C ATOM 1120 C GLY A 77 -12.241 -5.139 7.838 1.00 0.00 C ATOM 1121 O GLY A 77 -12.795 -5.443 8.893 1.00 0.00 O ATOM 0 H GLY A 77 -9.165 -5.353 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.642 -4.160 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.185 -3.324 7.428 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.704 -5.504 6.646 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.913 -6.298 6.532 1.00 0.00 C ATOM 1127 C GLY A 78 -13.623 -7.771 6.325 1.00 0.00 C ATOM 1128 O GLY A 78 -12.475 -8.206 6.430 1.00 0.00 O ATOM 0 H GLY A 78 -12.263 -5.264 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.513 -6.172 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.510 -5.928 5.698 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.664 -8.542 6.031 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.516 -9.976 5.811 1.00 0.00 C ATOM 1134 C LEU A 79 -14.189 -10.272 4.350 1.00 0.00 C ATOM 1135 O LEU A 79 -13.572 -11.289 4.036 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.794 -10.710 6.219 1.00 0.00 C ATOM 1137 CG LEU A 79 -17.035 -10.417 5.373 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.102 -11.358 4.181 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.295 -10.532 6.218 1.00 0.00 C ATOM 0 H LEU A 79 -15.620 -8.198 5.939 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.690 -10.330 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.600 -11.782 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.018 -10.459 7.256 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.964 -9.395 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.991 -11.135 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.214 -11.226 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.149 -12.388 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.168 -10.320 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.372 -11.542 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.249 -9.816 7.039 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.606 -9.375 3.463 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.357 -9.539 2.036 1.00 0.00 C ATOM 1153 C GLU A 80 -13.014 -10.221 1.794 1.00 0.00 C ATOM 1154 O GLU A 80 -11.966 -9.575 1.801 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.387 -8.182 1.330 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.790 -7.695 1.008 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.874 -6.184 0.911 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.371 -5.623 -0.084 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.446 -5.563 1.831 1.00 0.00 O ATOM 0 H GLU A 80 -15.118 -8.527 3.707 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.145 -10.170 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.890 -7.443 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.814 -8.250 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.116 -8.135 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.478 -8.045 1.778 1.00 0.00 H new ATOM 1166 N THR A 81 -13.053 -11.533 1.579 1.00 0.00 N ATOM 1167 CA THR A 81 -11.840 -12.303 1.336 1.00 0.00 C ATOM 1168 C THR A 81 -11.649 -12.575 -0.152 1.00 0.00 C ATOM 1169 O THR A 81 -12.281 -13.467 -0.716 1.00 0.00 O ATOM 1170 CB THR A 81 -11.867 -13.646 2.091 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.090 -14.338 1.816 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.728 -13.426 3.590 1.00 0.00 C ATOM 0 H THR A 81 -13.912 -12.084 1.568 1.00 0.00 H new ATOM 0 HA THR A 81 -11.007 -11.703 1.703 1.00 0.00 H new ATOM 0 HB THR A 81 -11.025 -14.248 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.285 -14.288 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.750 -14.388 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.782 -12.925 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.552 -12.807 3.945 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.772 -11.799 -0.782 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.499 -11.955 -2.205 1.00 0.00 C ATOM 1182 C PHE A 82 -9.645 -13.193 -2.462 1.00 0.00 C ATOM 1183 O PHE A 82 -8.881 -13.624 -1.598 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.793 -10.712 -2.751 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.496 -9.427 -2.414 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.238 -8.774 -1.220 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.413 -8.875 -3.292 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.884 -7.591 -0.909 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.061 -7.693 -2.987 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.797 -7.051 -1.792 1.00 0.00 C ATOM 0 H PHE A 82 -10.239 -11.057 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.451 -12.078 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.778 -10.677 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.709 -10.798 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.525 -9.193 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.624 -9.374 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.674 -7.090 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.773 -7.272 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.304 -6.129 -1.550 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.779 -13.759 -3.656 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.019 -14.948 -4.028 1.00 0.00 C ATOM 1202 C ASP A 83 -7.520 -14.683 -3.942 1.00 0.00 C ATOM 1203 O ASP A 83 -6.749 -15.553 -3.536 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.391 -15.394 -5.444 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.929 -16.806 -5.745 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -7.723 -17.084 -5.579 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.774 -17.634 -6.148 1.00 0.00 O ATOM 0 H ASP A 83 -10.406 -13.415 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.269 -15.744 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.472 -15.334 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.948 -14.708 -6.166 1.00 0.00 H new ATOM 1212 N SER A 84 -7.114 -13.478 -4.327 1.00 0.00 N ATOM 1213 CA SER A 84 -5.705 -13.100 -4.298 1.00 0.00 C ATOM 1214 C SER A 84 -5.548 -11.584 -4.352 1.00 0.00 C ATOM 1215 O SER A 84 -6.531 -10.850 -4.466 1.00 0.00 O ATOM 1216 CB SER A 84 -4.959 -13.744 -5.468 1.00 0.00 C ATOM 1217 OG SER A 84 -3.561 -13.762 -5.233 1.00 0.00 O ATOM 0 H SER A 84 -7.740 -12.746 -4.663 1.00 0.00 H new ATOM 0 HA SER A 84 -5.277 -13.458 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.319 -14.762 -5.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.170 -13.194 -6.385 1.00 0.00 H new ATOM 0 HG SER A 84 -3.107 -14.180 -5.994 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.306 -11.121 -4.270 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.018 -9.691 -4.310 1.00 0.00 C ATOM 1225 C LEU A 85 -4.523 -9.070 -5.608 1.00 0.00 C ATOM 1226 O LEU A 85 -4.982 -7.927 -5.626 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.514 -9.450 -4.167 1.00 0.00 C ATOM 1228 CG LEU A 85 -1.992 -9.301 -2.738 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -2.653 -8.119 -2.048 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.226 -10.581 -1.949 1.00 0.00 C ATOM 0 H LEU A 85 -3.482 -11.715 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.537 -9.217 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.987 -10.278 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.256 -8.548 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.919 -9.115 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.269 -8.029 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.434 -7.206 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.732 -8.273 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.848 -10.457 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.294 -10.797 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.704 -11.407 -2.432 1.00 0.00 H new ATOM 1242 N THR A 86 -4.438 -9.831 -6.696 1.00 0.00 N ATOM 1243 CA THR A 86 -4.887 -9.356 -7.998 1.00 0.00 C ATOM 1244 C THR A 86 -6.382 -9.064 -7.991 1.00 0.00 C ATOM 1245 O THR A 86 -6.852 -8.162 -8.686 1.00 0.00 O ATOM 1246 CB THR A 86 -4.581 -10.381 -9.106 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.175 -10.655 -9.145 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.041 -9.867 -10.461 1.00 0.00 C ATOM 0 H THR A 86 -4.062 -10.779 -6.700 1.00 0.00 H new ATOM 0 HA THR A 86 -4.341 -8.435 -8.204 1.00 0.00 H new ATOM 0 HB THR A 86 -5.124 -11.299 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.989 -11.309 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.814 -10.608 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.116 -9.688 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.523 -8.936 -10.692 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.127 -9.830 -7.201 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.571 -9.652 -7.103 1.00 0.00 C ATOM 1258 C ASP A 87 -8.915 -8.540 -6.117 1.00 0.00 C ATOM 1259 O ASP A 87 -9.777 -7.702 -6.387 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.238 -10.958 -6.669 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.552 -11.865 -7.843 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.648 -11.727 -8.424 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -8.699 -12.713 -8.180 1.00 0.00 O ATOM 0 H ASP A 87 -6.754 -10.580 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.946 -9.370 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.584 -11.483 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.159 -10.731 -6.132 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.237 -8.537 -4.975 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.471 -7.528 -3.949 1.00 0.00 C ATOM 1270 C LEU A 88 -8.056 -6.145 -4.440 1.00 0.00 C ATOM 1271 O LEU A 88 -8.736 -5.152 -4.180 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.703 -7.880 -2.673 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.842 -6.895 -1.512 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.745 -7.624 -0.180 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.782 -5.808 -1.605 1.00 0.00 C ATOM 0 H LEU A 88 -7.520 -9.223 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.539 -7.511 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.034 -8.861 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.646 -7.970 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.823 -6.424 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.846 -6.907 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.541 -8.365 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.778 -8.122 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.896 -5.116 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.792 -6.261 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.898 -5.266 -2.544 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.936 -6.087 -5.153 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.431 -4.826 -5.684 1.00 0.00 C ATOM 1289 C VAL A 89 -7.276 -4.349 -6.861 1.00 0.00 C ATOM 1290 O VAL A 89 -7.761 -3.218 -6.869 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.965 -4.955 -6.137 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.435 -3.613 -6.617 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.106 -5.506 -5.010 1.00 0.00 C ATOM 0 H VAL A 89 -6.361 -6.899 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.491 -4.095 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.920 -5.655 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.398 -3.723 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.035 -3.264 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.492 -2.888 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.073 -5.591 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.154 -4.833 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.474 -6.490 -4.719 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.447 -5.219 -7.851 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.233 -4.885 -9.033 1.00 0.00 C ATOM 1305 C GLU A 90 -9.587 -4.304 -8.639 1.00 0.00 C ATOM 1306 O GLU A 90 -10.121 -3.426 -9.319 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.433 -6.124 -9.907 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.212 -6.486 -10.737 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.163 -5.742 -12.058 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.566 -4.560 -12.088 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.721 -6.342 -13.060 1.00 0.00 O ATOM 0 H GLU A 90 -7.052 -6.160 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.685 -4.133 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.693 -6.970 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.279 -5.955 -10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.310 -6.265 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.213 -7.559 -10.928 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.140 -4.800 -7.536 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.433 -4.330 -7.051 1.00 0.00 C ATOM 1320 C HIS A 91 -11.331 -2.899 -6.533 1.00 0.00 C ATOM 1321 O HIS A 91 -12.280 -2.121 -6.637 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.951 -5.250 -5.946 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.135 -4.698 -5.213 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.065 -4.216 -3.923 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.424 -4.552 -5.598 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.261 -3.799 -3.545 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.103 -3.991 -4.544 1.00 0.00 N ATOM 0 H HIS A 91 -9.713 -5.527 -6.962 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.135 -4.346 -7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.220 -6.212 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.148 -5.437 -5.233 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.841 -4.826 -6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.507 -3.374 -2.583 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.096 -3.760 -4.534 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.175 -2.558 -5.973 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.950 -1.220 -5.437 1.00 0.00 C ATOM 1338 C PHE A 92 -9.450 -0.275 -6.525 1.00 0.00 C ATOM 1339 O PHE A 92 -9.610 0.942 -6.429 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.942 -1.272 -4.287 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.481 -1.922 -3.045 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.743 -1.598 -2.571 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.727 -2.855 -2.352 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.242 -2.195 -1.427 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.222 -3.455 -1.209 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.480 -3.123 -0.746 1.00 0.00 C ATOM 0 H PHE A 92 -9.380 -3.189 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.900 -0.841 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.056 -1.815 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.624 -0.257 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.343 -0.872 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.742 -3.117 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.227 -1.935 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.625 -4.183 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.867 -3.589 0.148 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.842 -0.844 -7.561 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.318 -0.054 -8.669 1.00 0.00 C ATOM 1358 C LYS A 93 -9.442 0.684 -9.391 1.00 0.00 C ATOM 1359 O LYS A 93 -9.213 1.709 -10.033 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.569 -0.954 -9.654 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.181 -1.351 -9.181 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.529 -2.340 -10.132 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.883 -1.633 -11.315 1.00 0.00 C ATOM 1364 NZ LYS A 93 -5.890 -1.213 -12.328 1.00 0.00 N ATOM 0 H LYS A 93 -8.700 -1.850 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.626 0.683 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.156 -1.856 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.484 -0.439 -10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.557 -0.462 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.247 -1.791 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.776 -2.918 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.277 -3.046 -10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.337 -0.758 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.154 -2.297 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.518 -1.393 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.767 -1.754 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.089 -0.198 -12.220 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.656 0.155 -9.281 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.816 0.764 -9.920 1.00 0.00 C ATOM 1380 C LYS A 94 -12.660 1.527 -8.904 1.00 0.00 C ATOM 1381 O LYS A 94 -13.168 2.612 -9.191 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.668 -0.307 -10.604 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.833 -1.572 -9.779 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.886 -2.492 -10.374 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.102 -3.725 -9.509 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.196 -4.840 -9.899 1.00 0.00 N ATOM 0 H LYS A 94 -10.862 -0.694 -8.755 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.457 1.469 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.653 0.107 -10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.214 -0.564 -11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.880 -2.097 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.113 -1.308 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.826 -1.951 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.580 -2.797 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.934 -3.469 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.138 -4.052 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.251 -5.597 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.485 -5.214 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.219 -4.489 -9.957 1.00 0.00 H new ATOM 1400 N THR A 95 -12.805 0.954 -7.713 1.00 0.00 N ATOM 1401 CA THR A 95 -13.587 1.579 -6.654 1.00 0.00 C ATOM 1402 C THR A 95 -12.702 2.420 -5.741 1.00 0.00 C ATOM 1403 O THR A 95 -13.015 3.573 -5.448 1.00 0.00 O ATOM 1404 CB THR A 95 -14.328 0.527 -5.806 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.391 -0.204 -5.006 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.104 -0.434 -6.693 1.00 0.00 C ATOM 0 H THR A 95 -12.391 0.058 -7.458 1.00 0.00 H new ATOM 0 HA THR A 95 -14.319 2.223 -7.140 1.00 0.00 H new ATOM 0 HB THR A 95 -15.033 1.046 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.994 -0.922 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.619 -1.167 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.835 0.122 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.415 -0.947 -7.364 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.595 1.835 -5.294 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.681 2.546 -4.420 1.00 0.00 C ATOM 1416 C GLY A 96 -10.908 2.221 -2.957 1.00 0.00 C ATOM 1417 O GLY A 96 -12.008 1.828 -2.564 1.00 0.00 O ATOM 0 H GLY A 96 -11.315 0.881 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.655 2.295 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.797 3.619 -4.573 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.867 2.383 -2.148 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.958 2.102 -0.720 1.00 0.00 C ATOM 1423 C ILE A 97 -10.382 3.343 0.057 1.00 0.00 C ATOM 1424 O ILE A 97 -9.937 4.453 -0.235 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.617 1.592 -0.160 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.250 0.251 -0.798 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.691 1.462 1.355 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.839 -0.200 -0.486 1.00 0.00 C ATOM 0 H ILE A 97 -8.950 2.707 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.712 1.324 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.839 2.315 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.951 -0.510 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.368 0.328 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.736 1.101 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.912 2.435 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.478 0.757 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.648 -1.158 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.130 0.541 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.722 -0.309 0.592 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.245 3.148 1.050 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.728 4.252 1.871 1.00 0.00 C ATOM 1442 C GLU A 98 -11.233 4.118 3.308 1.00 0.00 C ATOM 1443 O GLU A 98 -11.626 3.201 4.028 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.257 4.301 1.848 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.839 5.468 2.628 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.255 5.204 3.104 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.437 4.315 3.961 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.181 5.887 2.618 1.00 0.00 O ATOM 0 H GLU A 98 -11.624 2.236 1.305 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.336 5.180 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.595 4.361 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.648 3.370 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.204 5.678 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.831 6.359 2.001 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.368 5.041 3.717 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.818 5.025 5.068 1.00 0.00 C ATOM 1457 C GLU A 99 -10.901 5.335 6.099 1.00 0.00 C ATOM 1458 O GLU A 99 -11.792 6.146 5.854 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.678 6.039 5.190 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.357 5.537 4.632 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.307 6.628 4.549 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.288 7.501 5.442 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.506 6.610 3.591 1.00 0.00 O ATOM 0 H GLU A 99 -10.033 5.808 3.134 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.429 4.026 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.959 6.954 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.544 6.299 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.986 4.727 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.521 5.120 3.639 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.814 4.680 7.254 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.783 4.886 8.323 1.00 0.00 C ATOM 1472 C ALA A 100 -12.062 6.370 8.533 1.00 0.00 C ATOM 1473 O ALA A 100 -13.199 6.768 8.787 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.288 4.251 9.613 1.00 0.00 C ATOM 0 H ALA A 100 -10.083 4.003 7.472 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.717 4.406 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.022 4.413 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.148 3.181 9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.339 4.704 9.901 1.00 0.00 H new ATOM 1480 N SER A 101 -11.017 7.185 8.426 1.00 0.00 N ATOM 1481 CA SER A 101 -11.149 8.626 8.610 1.00 0.00 C ATOM 1482 C SER A 101 -11.964 9.245 7.479 1.00 0.00 C ATOM 1483 O SER A 101 -12.826 10.091 7.712 1.00 0.00 O ATOM 1484 CB SER A 101 -9.768 9.280 8.676 1.00 0.00 C ATOM 1485 OG SER A 101 -9.000 8.745 9.740 1.00 0.00 O ATOM 0 H SER A 101 -10.070 6.872 8.213 1.00 0.00 H new ATOM 0 HA SER A 101 -11.672 8.802 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.244 9.127 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.878 10.356 8.808 1.00 0.00 H new ATOM 0 HG SER A 101 -8.121 9.178 9.759 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.686 8.815 6.252 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.401 9.337 5.102 1.00 0.00 C ATOM 1493 C GLY A 102 -11.554 9.339 3.845 1.00 0.00 C ATOM 1494 O GLY A 102 -12.076 9.225 2.737 1.00 0.00 O ATOM 0 H GLY A 102 -10.978 8.114 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.296 8.739 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.732 10.353 5.315 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.243 9.473 4.017 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.323 9.490 2.887 1.00 0.00 C ATOM 1500 C ALA A 103 -9.664 8.394 1.884 1.00 0.00 C ATOM 1501 O ALA A 103 -10.204 7.349 2.250 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.889 9.337 3.371 1.00 0.00 C ATOM 0 H ALA A 103 -9.795 9.571 4.928 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.424 10.451 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.213 9.351 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.642 10.159 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.783 8.391 3.901 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.349 8.639 0.615 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.623 7.673 -0.441 1.00 0.00 C ATOM 1510 C PHE A 104 -8.358 7.356 -1.232 1.00 0.00 C ATOM 1511 O PHE A 104 -7.820 8.213 -1.932 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.706 8.208 -1.381 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.102 7.855 -0.951 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.662 6.639 -1.302 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.852 8.741 -0.194 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -13.946 6.312 -0.909 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.136 8.420 0.203 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.683 7.204 -0.154 1.00 0.00 C ATOM 0 H PHE A 104 -8.904 9.499 0.294 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.977 6.754 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.617 9.293 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.533 7.815 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.089 5.937 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.428 9.693 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.373 5.361 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.711 9.120 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.686 6.950 0.156 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.887 6.119 -1.115 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.686 5.688 -1.818 1.00 0.00 C ATOM 1530 C VAL A 105 -7.030 5.084 -3.176 1.00 0.00 C ATOM 1531 O VAL A 105 -7.832 4.154 -3.268 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.894 4.654 -0.996 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.595 4.293 -1.699 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.622 5.183 0.404 1.00 0.00 C ATOM 0 H VAL A 105 -8.320 5.397 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.070 6.575 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.495 3.749 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.050 3.561 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.817 3.870 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.986 5.189 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.062 4.440 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.042 6.103 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.568 5.385 0.907 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.419 5.619 -4.227 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.662 5.136 -5.580 1.00 0.00 C ATOM 1546 C TYR A 106 -5.423 4.447 -6.143 1.00 0.00 C ATOM 1547 O TYR A 106 -4.334 5.022 -6.165 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.075 6.292 -6.492 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.235 7.101 -5.956 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.303 6.482 -5.319 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.262 8.484 -6.087 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.365 7.217 -4.829 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.320 9.227 -5.599 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.369 8.589 -4.972 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.424 9.324 -4.483 1.00 0.00 O ATOM 0 H TYR A 106 -5.751 6.388 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.473 4.409 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.220 6.952 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.342 5.894 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.303 5.408 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.442 8.987 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.188 6.720 -4.337 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.325 10.301 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.272 10.275 -4.664 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.597 3.212 -6.601 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.494 2.442 -7.165 1.00 0.00 C ATOM 1567 C LEU A 107 -4.544 2.458 -8.690 1.00 0.00 C ATOM 1568 O LEU A 107 -5.301 1.707 -9.304 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.539 1.000 -6.657 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.113 0.800 -5.254 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -5.802 -0.551 -5.147 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.016 0.926 -4.207 1.00 0.00 C ATOM 0 H LEU A 107 -6.492 2.722 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.560 2.904 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.129 0.408 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.526 0.598 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.854 1.578 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.204 -0.676 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.614 -0.604 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.082 -1.344 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.442 0.781 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.252 0.170 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.567 1.917 -4.268 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.730 3.318 -9.294 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.680 3.431 -10.747 1.00 0.00 C ATOM 1586 C ARG A 108 -2.296 3.064 -11.274 1.00 0.00 C ATOM 1587 O ARG A 108 -2.162 2.519 -12.369 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.043 4.851 -11.182 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.217 5.441 -10.417 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.775 6.672 -11.113 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.521 6.327 -12.320 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.673 5.669 -12.309 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.210 5.287 -11.158 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.293 5.392 -13.449 1.00 0.00 N ATOM 0 H ARG A 108 -3.096 3.946 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.406 2.734 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.174 5.496 -11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.279 4.847 -12.246 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.002 4.691 -10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.899 5.705 -9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.426 7.213 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.957 7.344 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.135 6.607 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.737 5.499 -10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.096 4.781 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.884 5.685 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.179 4.886 -13.438 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.269 3.369 -10.487 1.00 0.00 N ATOM 1609 CA GLN A 109 0.105 3.073 -10.875 1.00 0.00 C ATOM 1610 C GLN A 109 0.654 1.895 -10.078 1.00 0.00 C ATOM 1611 O GLN A 109 1.143 2.045 -8.959 1.00 0.00 O ATOM 1612 CB GLN A 109 0.992 4.302 -10.667 1.00 0.00 C ATOM 1613 CG GLN A 109 1.086 5.199 -11.891 1.00 0.00 C ATOM 1614 CD GLN A 109 1.298 6.657 -11.532 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.225 7.301 -12.024 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.439 7.185 -10.668 1.00 0.00 N ATOM 0 H GLN A 109 -1.363 3.821 -9.577 1.00 0.00 H new ATOM 0 HA GLN A 109 0.108 2.806 -11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.604 4.883 -9.830 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.994 3.974 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.908 4.861 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.173 5.103 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.315 6.614 -10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.533 8.161 -10.387 1.00 0.00 H new ATOM 1625 N PRO A 110 0.573 0.692 -10.668 1.00 0.00 N ATOM 1626 CA PRO A 110 1.058 -0.535 -10.031 1.00 0.00 C ATOM 1627 C PRO A 110 2.578 -0.578 -9.932 1.00 0.00 C ATOM 1628 O PRO A 110 3.246 -1.211 -10.750 1.00 0.00 O ATOM 1629 CB PRO A 110 0.551 -1.641 -10.961 1.00 0.00 C ATOM 1630 CG PRO A 110 0.403 -0.981 -12.288 1.00 0.00 C ATOM 1631 CD PRO A 110 0.003 0.440 -12.002 1.00 0.00 C ATOM 0 HA PRO A 110 0.705 -0.627 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.255 -2.472 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.399 -2.047 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.337 -1.018 -12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.352 -1.485 -12.892 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.403 1.128 -12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.080 0.561 -12.006 1.00 0.00 H new ATOM 1639 N TYR A 111 3.120 0.101 -8.928 1.00 0.00 N ATOM 1640 CA TYR A 111 4.564 0.143 -8.724 1.00 0.00 C ATOM 1641 C TYR A 111 5.202 -1.196 -9.079 1.00 0.00 C ATOM 1642 O TYR A 111 5.047 -2.182 -8.359 1.00 0.00 O ATOM 1643 CB TYR A 111 4.885 0.506 -7.273 1.00 0.00 C ATOM 1644 CG TYR A 111 6.276 1.068 -7.083 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.650 2.263 -7.685 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.215 0.403 -6.305 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.920 2.781 -7.514 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.486 0.914 -6.128 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.834 2.103 -6.735 1.00 0.00 C ATOM 1650 OH TYR A 111 10.099 2.614 -6.562 1.00 0.00 O ATOM 0 H TYR A 111 2.582 0.630 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 111 4.977 0.908 -9.382 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.156 1.236 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.773 -0.383 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.937 2.796 -8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.947 -0.529 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.195 3.712 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.203 0.386 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 111 10.067 3.592 -6.613 1.00 0.00 H new ATOM 1660 N TYR A 112 5.924 -1.222 -10.194 1.00 0.00 N ATOM 1661 CA TYR A 112 6.586 -2.440 -10.648 1.00 0.00 C ATOM 1662 C TYR A 112 7.844 -2.713 -9.829 1.00 0.00 C ATOM 1663 O TYR A 112 7.891 -3.655 -9.038 1.00 0.00 O ATOM 1664 CB TYR A 112 6.943 -2.329 -12.131 1.00 0.00 C ATOM 1665 CG TYR A 112 5.773 -1.949 -13.009 1.00 0.00 C ATOM 1666 CD1 TYR A 112 4.855 -2.904 -13.428 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.585 -0.635 -13.421 1.00 0.00 C ATOM 1668 CE1 TYR A 112 3.783 -2.562 -14.231 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.516 -0.284 -14.222 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.618 -1.251 -14.625 1.00 0.00 C ATOM 1671 OH TYR A 112 2.553 -0.905 -15.425 1.00 0.00 O ATOM 0 H TYR A 112 6.066 -0.414 -10.800 1.00 0.00 H new ATOM 0 HA TYR A 112 5.896 -3.272 -10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.733 -1.587 -12.251 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.347 -3.283 -12.471 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.981 -3.932 -13.121 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.287 0.125 -13.109 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.079 -3.317 -14.548 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.384 0.742 -14.531 1.00 0.00 H new ATOM 0 HH TYR A 112 2.582 0.057 -15.610 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.618 2.544 8.274 1.00 0.00 N ATOM 1872 CA ALA B 9 -3.831 3.324 8.061 1.00 0.00 C ATOM 1873 C ALA B 9 -5.076 2.470 8.268 1.00 0.00 C ATOM 1874 O ALA B 9 -5.145 1.334 7.799 1.00 0.00 O ATOM 1875 CB ALA B 9 -3.829 3.932 6.666 1.00 0.00 C ATOM 0 HA ALA B 9 -3.850 4.129 8.795 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.740 4.512 6.520 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.963 4.584 6.554 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.782 3.136 5.922 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.059 3.024 8.971 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.302 2.311 9.240 1.00 0.00 C ATOM 1883 C GLU B 10 -8.285 2.475 8.084 1.00 0.00 C ATOM 1884 O GLU B 10 -8.278 3.491 7.389 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.935 2.816 10.537 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.171 2.409 11.786 1.00 0.00 C ATOM 1887 CD GLU B 10 -6.978 0.909 11.891 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -6.029 0.389 11.267 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.775 0.256 12.596 1.00 0.00 O ATOM 0 H GLU B 10 -6.018 3.964 9.364 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.067 1.252 9.347 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.001 3.903 10.500 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.955 2.437 10.605 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -6.197 2.897 11.786 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -7.706 2.765 12.666 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.127 1.468 7.884 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.116 1.498 6.812 1.00 0.00 C ATOM 1898 C LEU B 11 -11.525 1.310 7.365 1.00 0.00 C ATOM 1899 O LEU B 11 -11.705 1.041 8.552 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.811 0.413 5.778 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.403 0.428 5.185 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.259 -0.652 4.123 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.083 1.797 4.603 1.00 0.00 C ATOM 0 H LEU B 11 -9.145 0.620 8.450 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.063 2.474 6.330 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.978 -0.559 6.241 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.528 0.505 4.962 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.691 0.220 5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.250 -0.626 3.712 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.444 -1.629 4.570 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.980 -0.476 3.325 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.076 1.789 4.185 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.800 2.035 3.817 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.143 2.550 5.389 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.521 1.450 6.495 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.913 1.292 6.897 1.00 0.00 C ATOM 1917 C ASN B 12 -14.512 0.023 6.298 1.00 0.00 C ATOM 1918 O ASN B 12 -14.242 -0.321 5.147 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.731 2.510 6.462 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.076 2.583 7.163 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.164 2.987 8.321 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -17.131 2.190 6.458 1.00 0.00 N ATOM 0 H ASN B 12 -12.389 1.672 5.508 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.945 1.209 7.983 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.165 3.418 6.671 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.888 2.473 5.384 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -18.062 2.216 6.875 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.011 1.862 5.500 1.00 0.00 H new