USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 784 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 50 SER OG : rot 180:sc= 0.0325 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.689 K(o=0.72,f=-3.3!) USER MOD Set 2.1: A 43 THR OG1 : rot -74:sc= 0.18 USER MOD Set 2.2: A 44 HIS : no HE2:sc= 0.902 K(o=1.1,f=-3.8!) USER MOD Set 2.3: A 49 TYR OH : rot 180:sc=-0.000442 USER MOD Single : A 9 MET CE :methyl 171:sc= 0 (180deg=-0.137) USER MOD Single : A 10 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.033) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -110:sc= 1.25 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.15 F(o=-0.82,f=0.15) USER MOD Single : A 22 MET CE :methyl -166:sc= -0.0115 (180deg=-0.295) USER MOD Single : A 30 MET CE :methyl 158:sc= -0.0927 (180deg=-0.682) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 0.14 (180deg=0.0397) USER MOD Single : A 39 HIS : no HD1:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 42 MET CE :methyl 177:sc= 0 (180deg=-0.00717) USER MOD Single : A 56 ASN : amide:sc= 0.317 K(o=0.32,f=-2.5!) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.0734 F(o=-0.68,f=-0.073) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.951 K(o=-0.95,f=-5!) USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00562) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.673 F(o=-2.7!,f=-0.67) USER MOD Single : A 89 MET CE :methyl 166:sc= -0.25 (180deg=-0.867) USER MOD Single : A 91 GLN : amide:sc= 1.13 K(o=1.1,f=-0.15) USER MOD Single : A 92 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 15:sc= 0.351 USER MOD Single : A 101 SER OG : rot 90:sc= 1.2 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0422 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.347 29.690 32.325 1.00 1.00 N ATOM 77 CA VAL A 6 6.428 28.938 31.489 1.00 1.00 C ATOM 78 C VAL A 6 5.205 28.370 32.200 1.00 1.00 C ATOM 79 O VAL A 6 5.216 28.065 33.398 1.00 1.00 O ATOM 80 CB VAL A 6 7.103 27.818 30.697 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.221 28.415 29.827 1.00 1.00 C ATOM 82 CG2 VAL A 6 7.664 26.723 31.622 1.00 1.00 C ATOM 0 HA VAL A 6 6.072 29.707 30.803 1.00 1.00 H new ATOM 0 HB VAL A 6 6.354 27.346 30.060 1.00 1.00 H new ATOM 0 HG11 VAL A 6 8.705 27.620 29.260 1.00 1.00 H new ATOM 0 HG12 VAL A 6 7.795 29.144 29.138 1.00 1.00 H new ATOM 0 HG13 VAL A 6 8.956 28.905 30.465 1.00 1.00 H new ATOM 0 HG21 VAL A 6 8.136 25.945 31.021 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.402 27.159 32.296 1.00 1.00 H new ATOM 0 HG23 VAL A 6 6.852 26.288 32.205 1.00 1.00 H new ATOM 92 N ILE A 7 4.103 28.197 31.448 1.00 1.00 N ATOM 93 CA ILE A 7 2.987 27.350 31.851 1.00 1.00 C ATOM 94 C ILE A 7 2.897 26.236 30.826 1.00 1.00 C ATOM 95 O ILE A 7 2.743 26.495 29.637 1.00 1.00 O ATOM 96 CB ILE A 7 1.642 28.074 31.938 1.00 1.00 C ATOM 97 CG1 ILE A 7 1.736 29.266 32.923 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.545 27.064 32.368 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.481 30.148 32.939 1.00 1.00 C ATOM 0 H ILE A 7 3.970 28.646 30.542 1.00 1.00 H new ATOM 0 HA ILE A 7 3.182 26.990 32.861 1.00 1.00 H new ATOM 0 HB ILE A 7 1.376 28.479 30.961 1.00 1.00 H new ATOM 0 HG12 ILE A 7 1.914 28.883 33.928 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.598 29.879 32.658 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.416 27.575 32.431 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.481 26.261 31.633 1.00 1.00 H new ATOM 0 HG23 ILE A 7 0.798 26.645 33.342 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.618 30.962 33.651 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.313 30.560 31.944 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.381 29.549 33.234 1.00 1.00 H new ATOM 111 N GLU A 8 3.009 24.970 31.270 1.00 1.00 N ATOM 112 CA GLU A 8 3.015 23.789 30.430 1.00 1.00 C ATOM 113 C GLU A 8 1.923 22.816 30.846 1.00 1.00 C ATOM 114 O GLU A 8 1.858 22.365 31.995 1.00 1.00 O ATOM 115 CB GLU A 8 4.397 23.088 30.505 1.00 1.00 C ATOM 116 CG GLU A 8 4.512 21.793 29.665 1.00 1.00 C ATOM 117 CD GLU A 8 5.936 21.289 29.605 1.00 1.00 C ATOM 118 OE1 GLU A 8 6.524 20.948 30.668 1.00 1.00 O ATOM 119 OE2 GLU A 8 6.521 21.232 28.492 1.00 1.00 O ATOM 0 H GLU A 8 3.100 24.749 32.262 1.00 1.00 H new ATOM 0 HA GLU A 8 2.823 24.104 29.404 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.163 23.789 30.174 1.00 1.00 H new ATOM 0 HB3 GLU A 8 4.612 22.850 31.547 1.00 1.00 H new ATOM 0 HG2 GLU A 8 3.871 21.023 30.094 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.150 21.982 28.654 1.00 1.00 H new ATOM 126 N MET A 9 1.023 22.465 29.909 1.00 1.00 N ATOM 127 CA MET A 9 -0.004 21.467 30.138 1.00 1.00 C ATOM 128 C MET A 9 -0.367 20.770 28.836 1.00 1.00 C ATOM 129 O MET A 9 -0.457 21.385 27.777 1.00 1.00 O ATOM 130 CB MET A 9 -1.277 22.059 30.804 1.00 1.00 C ATOM 131 CG MET A 9 -1.845 23.308 30.098 1.00 1.00 C ATOM 132 SD MET A 9 -3.486 23.836 30.668 1.00 1.00 S ATOM 133 CE MET A 9 -3.012 24.364 32.334 1.00 1.00 C ATOM 0 H MET A 9 0.999 22.874 28.975 1.00 1.00 H new ATOM 0 HA MET A 9 0.412 20.740 30.835 1.00 1.00 H new ATOM 0 HB2 MET A 9 -2.049 21.290 30.831 1.00 1.00 H new ATOM 0 HB3 MET A 9 -1.045 22.315 31.838 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.147 24.133 30.236 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.896 23.109 29.027 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.851 24.875 32.806 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.738 23.492 32.928 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.161 25.043 32.272 1.00 1.00 H new ATOM 143 N GLN A 10 -0.573 19.439 28.892 1.00 1.00 N ATOM 144 CA GLN A 10 -0.988 18.577 27.791 1.00 1.00 C ATOM 145 C GLN A 10 -0.168 18.688 26.505 1.00 1.00 C ATOM 146 O GLN A 10 -0.697 18.605 25.400 1.00 1.00 O ATOM 147 CB GLN A 10 -2.506 18.743 27.505 1.00 1.00 C ATOM 148 CG GLN A 10 -3.415 18.420 28.713 1.00 1.00 C ATOM 149 CD GLN A 10 -3.314 16.953 29.135 1.00 1.00 C ATOM 150 OE1 GLN A 10 -2.671 16.603 30.133 1.00 1.00 O ATOM 151 NE2 GLN A 10 -3.983 16.060 28.374 1.00 1.00 N ATOM 0 H GLN A 10 -0.444 18.917 29.759 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.783 17.567 28.145 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.695 19.768 27.186 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.781 18.094 26.673 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -3.140 19.058 29.553 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -4.449 18.653 28.460 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -4.505 16.376 27.557 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -3.966 15.069 28.617 1.00 1.00 H new ATOM 160 N GLY A 11 1.166 18.852 26.617 1.00 1.00 N ATOM 161 CA GLY A 11 2.072 19.009 25.481 1.00 1.00 C ATOM 162 C GLY A 11 2.132 20.403 24.903 1.00 1.00 C ATOM 163 O GLY A 11 2.822 20.645 23.914 1.00 1.00 O ATOM 0 H GLY A 11 1.643 18.878 27.518 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.075 18.717 25.792 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.768 18.318 24.695 1.00 1.00 H new ATOM 167 N LEU A 12 1.423 21.367 25.516 1.00 1.00 N ATOM 168 CA LEU A 12 1.365 22.747 25.086 1.00 1.00 C ATOM 169 C LEU A 12 2.018 23.611 26.152 1.00 1.00 C ATOM 170 O LEU A 12 1.696 23.514 27.335 1.00 1.00 O ATOM 171 CB LEU A 12 -0.115 23.181 24.904 1.00 1.00 C ATOM 172 CG LEU A 12 -0.336 24.562 24.252 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.054 24.567 22.767 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.797 25.010 24.421 1.00 1.00 C ATOM 0 H LEU A 12 0.862 21.186 26.349 1.00 1.00 H new ATOM 0 HA LEU A 12 1.886 22.861 24.135 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.622 22.430 24.299 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.597 23.181 25.882 1.00 1.00 H new ATOM 0 HG LEU A 12 0.316 25.270 24.764 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.118 25.559 22.349 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.108 24.309 22.667 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.551 23.837 22.229 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.935 25.986 23.955 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.457 24.285 23.946 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.036 25.078 25.482 1.00 1.00 H new ATOM 186 N SER A 13 2.977 24.473 25.769 1.00 1.00 N ATOM 187 CA SER A 13 3.726 25.284 26.721 1.00 1.00 C ATOM 188 C SER A 13 3.793 26.723 26.261 1.00 1.00 C ATOM 189 O SER A 13 4.018 27.015 25.090 1.00 1.00 O ATOM 190 CB SER A 13 5.140 24.706 26.990 1.00 1.00 C ATOM 191 OG SER A 13 5.875 25.434 27.980 1.00 1.00 O ATOM 0 H SER A 13 3.246 24.620 24.796 1.00 1.00 H new ATOM 0 HA SER A 13 3.191 25.257 27.670 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.045 23.668 27.309 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.706 24.702 26.058 1.00 1.00 H new ATOM 0 HG SER A 13 6.754 25.020 28.105 1.00 1.00 H new ATOM 197 N LEU A 14 3.536 27.665 27.182 1.00 1.00 N ATOM 198 CA LEU A 14 3.413 29.084 26.920 1.00 1.00 C ATOM 199 C LEU A 14 4.324 29.862 27.853 1.00 1.00 C ATOM 200 O LEU A 14 4.350 29.611 29.055 1.00 1.00 O ATOM 201 CB LEU A 14 1.926 29.487 27.120 1.00 1.00 C ATOM 202 CG LEU A 14 1.572 30.990 27.075 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.165 31.186 26.503 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.614 31.666 28.455 1.00 1.00 C ATOM 0 H LEU A 14 3.405 27.436 28.167 1.00 1.00 H new ATOM 0 HA LEU A 14 3.714 29.314 25.898 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.337 28.982 26.355 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.600 29.095 28.084 1.00 1.00 H new ATOM 0 HG LEU A 14 2.329 31.453 26.442 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.072 32.250 26.477 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.123 30.780 25.492 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.559 30.668 27.132 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.356 32.720 28.352 1.00 1.00 H new ATOM 0 HD22 LEU A 14 0.900 31.181 29.120 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.617 31.578 28.873 1.00 1.00 H new ATOM 216 N ASP A 15 5.084 30.844 27.328 1.00 1.00 N ATOM 217 CA ASP A 15 5.963 31.694 28.109 1.00 1.00 C ATOM 218 C ASP A 15 5.473 33.141 28.013 1.00 1.00 C ATOM 219 O ASP A 15 5.557 33.731 26.929 1.00 1.00 O ATOM 220 CB ASP A 15 7.407 31.583 27.558 1.00 1.00 C ATOM 221 CG ASP A 15 8.412 32.440 28.297 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.131 32.997 29.387 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.544 32.611 27.773 1.00 1.00 O ATOM 0 H ASP A 15 5.094 31.061 26.331 1.00 1.00 H new ATOM 0 HA ASP A 15 5.957 31.380 29.153 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.726 30.542 27.608 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.407 31.866 26.505 1.00 1.00 H new ATOM 228 N PRO A 16 4.985 33.777 29.080 1.00 1.00 N ATOM 229 CA PRO A 16 4.566 35.174 29.055 1.00 1.00 C ATOM 230 C PRO A 16 5.683 36.139 28.720 1.00 1.00 C ATOM 231 O PRO A 16 5.424 37.137 28.050 1.00 1.00 O ATOM 232 CB PRO A 16 3.994 35.425 30.463 1.00 1.00 C ATOM 233 CG PRO A 16 3.556 34.035 30.928 1.00 1.00 C ATOM 234 CD PRO A 16 4.646 33.137 30.353 1.00 1.00 C ATOM 0 HA PRO A 16 3.837 35.349 28.264 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.743 35.853 31.129 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.156 36.121 30.437 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.506 33.968 32.015 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.570 33.771 30.546 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.510 33.081 31.016 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.289 32.117 30.207 1.00 1.00 H new ATOM 242 N THR A 17 6.924 35.884 29.175 1.00 1.00 N ATOM 243 CA THR A 17 8.051 36.805 29.027 1.00 1.00 C ATOM 244 C THR A 17 8.469 36.996 27.584 1.00 1.00 C ATOM 245 O THR A 17 8.703 38.113 27.121 1.00 1.00 O ATOM 246 CB THR A 17 9.278 36.354 29.808 1.00 1.00 C ATOM 247 OG1 THR A 17 8.916 35.983 31.131 1.00 1.00 O ATOM 248 CG2 THR A 17 10.312 37.481 29.937 1.00 1.00 C ATOM 0 H THR A 17 7.168 35.021 29.660 1.00 1.00 H new ATOM 0 HA THR A 17 7.683 37.750 29.427 1.00 1.00 H new ATOM 0 HB THR A 17 9.701 35.513 29.259 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.715 35.694 31.620 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.173 37.122 30.500 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.633 37.795 28.944 1.00 1.00 H new ATOM 0 HG23 THR A 17 9.865 38.327 30.459 1.00 1.00 H new ATOM 256 N SER A 18 8.538 35.892 26.809 1.00 1.00 N ATOM 257 CA SER A 18 8.995 35.922 25.423 1.00 1.00 C ATOM 258 C SER A 18 7.850 35.902 24.421 1.00 1.00 C ATOM 259 O SER A 18 8.067 36.009 23.211 1.00 1.00 O ATOM 260 CB SER A 18 9.952 34.738 25.113 1.00 1.00 C ATOM 261 OG SER A 18 9.318 33.467 25.291 1.00 1.00 O ATOM 0 H SER A 18 8.277 34.962 27.136 1.00 1.00 H new ATOM 0 HA SER A 18 9.528 36.866 25.314 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.310 34.822 24.087 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.826 34.800 25.762 1.00 1.00 H new ATOM 0 HG SER A 18 9.699 33.018 26.074 1.00 1.00 H new ATOM 267 N HIS A 19 6.593 35.806 24.912 1.00 1.00 N ATOM 268 CA HIS A 19 5.356 35.872 24.136 1.00 1.00 C ATOM 269 C HIS A 19 5.136 34.674 23.218 1.00 1.00 C ATOM 270 O HIS A 19 4.471 34.791 22.192 1.00 1.00 O ATOM 271 CB HIS A 19 5.208 37.176 23.295 1.00 1.00 C ATOM 272 CG HIS A 19 5.602 38.448 24.003 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.755 38.751 25.315 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 5.906 39.579 23.301 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 6.158 40.060 25.377 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 6.236 40.542 24.147 1.00 1.00 N flip ATOM 0 H HIS A 19 6.417 35.674 25.908 1.00 1.00 H new ATOM 0 HA HIS A 19 4.587 35.864 24.909 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.814 37.078 22.394 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.170 37.265 22.973 1.00 1.00 H new ATOM 0 HD1 HIS A 19 5.600 38.125 26.105 1.00 1.00 H new ATOM 0 HD2 HIS A 19 5.881 39.673 22.225 1.00 1.00 H new ATOM 0 HE1 HIS A 19 6.376 40.608 26.282 1.00 1.00 H new ATOM 285 N ARG A 20 5.703 33.502 23.564 1.00 1.00 N ATOM 286 CA ARG A 20 5.860 32.391 22.641 1.00 1.00 C ATOM 287 C ARG A 20 5.155 31.133 23.132 1.00 1.00 C ATOM 288 O ARG A 20 5.248 30.764 24.307 1.00 1.00 O ATOM 289 CB ARG A 20 7.380 32.137 22.464 1.00 1.00 C ATOM 290 CG ARG A 20 7.794 31.250 21.274 1.00 1.00 C ATOM 291 CD ARG A 20 9.309 31.324 21.028 1.00 1.00 C ATOM 292 NE ARG A 20 9.646 30.512 19.817 1.00 1.00 N ATOM 293 CZ ARG A 20 10.484 29.466 19.781 1.00 1.00 C ATOM 294 NH1 ARG A 20 10.900 28.821 20.864 1.00 1.00 N ATOM 295 NH2 ARG A 20 10.911 29.060 18.587 1.00 1.00 N ATOM 0 H ARG A 20 6.063 33.311 24.499 1.00 1.00 H new ATOM 0 HA ARG A 20 5.398 32.645 21.687 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.877 33.101 22.360 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.758 31.680 23.378 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.504 30.217 21.468 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.261 31.567 20.378 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.617 32.360 20.885 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.850 30.948 21.896 1.00 1.00 H new ATOM 0 HE ARG A 20 9.198 30.778 18.940 1.00 1.00 H new ATOM 0 HH11 ARG A 20 10.581 29.115 21.787 1.00 1.00 H new ATOM 0 HH12 ARG A 20 11.539 28.031 20.773 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.600 29.541 17.743 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.550 28.268 18.516 1.00 1.00 H new ATOM 309 N VAL A 21 4.418 30.448 22.234 1.00 1.00 N ATOM 310 CA VAL A 21 3.664 29.236 22.514 1.00 1.00 C ATOM 311 C VAL A 21 4.226 28.073 21.702 1.00 1.00 C ATOM 312 O VAL A 21 4.390 28.141 20.482 1.00 1.00 O ATOM 313 CB VAL A 21 2.178 29.387 22.184 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.386 28.146 22.646 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.627 30.646 22.882 1.00 1.00 C ATOM 0 H VAL A 21 4.337 30.745 21.262 1.00 1.00 H new ATOM 0 HA VAL A 21 3.760 29.043 23.582 1.00 1.00 H new ATOM 0 HB VAL A 21 2.066 29.483 21.104 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.332 28.275 22.401 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.770 27.260 22.140 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.496 28.025 23.724 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.568 30.757 22.649 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.753 30.549 23.960 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.170 31.524 22.531 1.00 1.00 H new ATOM 325 N MET A 22 4.530 26.954 22.383 1.00 1.00 N ATOM 326 CA MET A 22 5.151 25.774 21.820 1.00 1.00 C ATOM 327 C MET A 22 4.240 24.572 21.961 1.00 1.00 C ATOM 328 O MET A 22 3.601 24.381 22.995 1.00 1.00 O ATOM 329 CB MET A 22 6.458 25.428 22.578 1.00 1.00 C ATOM 330 CG MET A 22 7.511 26.551 22.562 1.00 1.00 C ATOM 331 SD MET A 22 8.012 27.085 20.903 1.00 1.00 S ATOM 332 CE MET A 22 8.896 25.573 20.422 1.00 1.00 C ATOM 0 H MET A 22 4.336 26.858 23.380 1.00 1.00 H new ATOM 0 HA MET A 22 5.353 25.992 20.771 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.213 25.190 23.613 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.893 24.530 22.139 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.116 27.411 23.103 1.00 1.00 H new ATOM 0 HG3 MET A 22 8.394 26.212 23.103 1.00 1.00 H new ATOM 0 HE1 MET A 22 9.497 25.770 19.534 1.00 1.00 H new ATOM 0 HE2 MET A 22 9.546 25.257 21.238 1.00 1.00 H new ATOM 0 HE3 MET A 22 8.176 24.784 20.205 1.00 1.00 H new ATOM 342 N ALA A 23 4.179 23.704 20.932 1.00 1.00 N ATOM 343 CA ALA A 23 3.542 22.403 21.052 1.00 1.00 C ATOM 344 C ALA A 23 4.577 21.327 20.764 1.00 1.00 C ATOM 345 O ALA A 23 5.000 21.119 19.626 1.00 1.00 O ATOM 346 CB ALA A 23 2.359 22.278 20.072 1.00 1.00 C ATOM 0 H ALA A 23 4.569 23.894 20.009 1.00 1.00 H new ATOM 0 HA ALA A 23 3.151 22.285 22.063 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.899 21.296 20.181 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.622 23.051 20.291 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.719 22.399 19.050 1.00 1.00 H new ATOM 352 N GLY A 24 5.056 20.603 21.795 1.00 1.00 N ATOM 353 CA GLY A 24 6.325 19.873 21.692 1.00 1.00 C ATOM 354 C GLY A 24 7.490 20.773 21.329 1.00 1.00 C ATOM 355 O GLY A 24 7.766 21.749 22.028 1.00 1.00 O ATOM 0 H GLY A 24 4.587 20.511 22.696 1.00 1.00 H new ATOM 0 HA2 GLY A 24 6.534 19.380 22.641 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.229 19.089 20.941 1.00 1.00 H new ATOM 359 N GLU A 25 8.185 20.496 20.208 1.00 1.00 N ATOM 360 CA GLU A 25 9.252 21.347 19.702 1.00 1.00 C ATOM 361 C GLU A 25 8.761 22.269 18.585 1.00 1.00 C ATOM 362 O GLU A 25 9.545 23.028 18.010 1.00 1.00 O ATOM 363 CB GLU A 25 10.432 20.495 19.156 1.00 1.00 C ATOM 364 CG GLU A 25 11.255 19.783 20.260 1.00 1.00 C ATOM 365 CD GLU A 25 12.407 18.975 19.689 1.00 1.00 C ATOM 366 OE1 GLU A 25 13.318 19.569 19.042 1.00 1.00 O ATOM 367 OE2 GLU A 25 12.419 17.730 19.877 1.00 1.00 O ATOM 0 H GLU A 25 8.013 19.670 19.634 1.00 1.00 H new ATOM 0 HA GLU A 25 9.590 21.954 20.542 1.00 1.00 H new ATOM 0 HB2 GLU A 25 10.039 19.746 18.469 1.00 1.00 H new ATOM 0 HB3 GLU A 25 11.096 21.139 18.579 1.00 1.00 H new ATOM 0 HG2 GLU A 25 11.645 20.526 20.956 1.00 1.00 H new ATOM 0 HG3 GLU A 25 10.600 19.125 20.831 1.00 1.00 H new ATOM 374 N GLU A 26 7.453 22.247 18.250 1.00 1.00 N ATOM 375 CA GLU A 26 6.853 23.027 17.178 1.00 1.00 C ATOM 376 C GLU A 26 6.467 24.435 17.649 1.00 1.00 C ATOM 377 O GLU A 26 5.709 24.547 18.618 1.00 1.00 O ATOM 378 CB GLU A 26 5.568 22.320 16.669 1.00 1.00 C ATOM 379 CG GLU A 26 4.845 22.978 15.464 1.00 1.00 C ATOM 380 CD GLU A 26 5.536 22.727 14.141 1.00 1.00 C ATOM 381 OE1 GLU A 26 6.536 23.415 13.810 1.00 1.00 O ATOM 382 OE2 GLU A 26 5.051 21.857 13.369 1.00 1.00 O ATOM 0 H GLU A 26 6.776 21.664 18.741 1.00 1.00 H new ATOM 0 HA GLU A 26 7.594 23.109 16.383 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.828 21.298 16.394 1.00 1.00 H new ATOM 0 HB3 GLU A 26 4.862 22.258 17.497 1.00 1.00 H new ATOM 0 HG2 GLU A 26 3.824 22.599 15.411 1.00 1.00 H new ATOM 0 HG3 GLU A 26 4.777 24.053 15.633 1.00 1.00 H new ATOM 389 N PRO A 27 6.913 25.530 17.031 1.00 1.00 N ATOM 390 CA PRO A 27 6.568 26.865 17.506 1.00 1.00 C ATOM 391 C PRO A 27 5.339 27.396 16.791 1.00 1.00 C ATOM 392 O PRO A 27 5.312 27.488 15.561 1.00 1.00 O ATOM 393 CB PRO A 27 7.815 27.697 17.177 1.00 1.00 C ATOM 394 CG PRO A 27 8.415 27.029 15.938 1.00 1.00 C ATOM 395 CD PRO A 27 8.105 25.550 16.173 1.00 1.00 C ATOM 0 HA PRO A 27 6.317 26.890 18.566 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.556 28.737 16.979 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.521 27.697 18.007 1.00 1.00 H new ATOM 0 HG2 PRO A 27 7.960 27.397 15.019 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.487 27.211 15.858 1.00 1.00 H new ATOM 0 HD2 PRO A 27 7.919 25.034 15.231 1.00 1.00 H new ATOM 0 HD3 PRO A 27 8.943 25.045 16.654 1.00 1.00 H new ATOM 403 N LEU A 28 4.292 27.747 17.554 1.00 1.00 N ATOM 404 CA LEU A 28 3.020 28.190 17.019 1.00 1.00 C ATOM 405 C LEU A 28 2.972 29.704 16.891 1.00 1.00 C ATOM 406 O LEU A 28 3.820 30.425 17.421 1.00 1.00 O ATOM 407 CB LEU A 28 1.851 27.683 17.898 1.00 1.00 C ATOM 408 CG LEU A 28 1.828 26.149 18.082 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.678 25.751 19.015 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.712 25.397 16.745 1.00 1.00 C ATOM 0 H LEU A 28 4.318 27.726 18.573 1.00 1.00 H new ATOM 0 HA LEU A 28 2.914 27.765 16.021 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.914 28.156 18.878 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.909 28.000 17.451 1.00 1.00 H new ATOM 0 HG LEU A 28 2.780 25.862 18.528 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.669 24.668 19.140 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.816 26.227 19.986 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.269 26.075 18.584 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.700 24.323 16.931 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.790 25.688 16.243 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.564 25.646 16.112 1.00 1.00 H new ATOM 422 N GLU A 29 1.991 30.230 16.136 1.00 1.00 N ATOM 423 CA GLU A 29 1.884 31.654 15.869 1.00 1.00 C ATOM 424 C GLU A 29 0.477 32.163 16.125 1.00 1.00 C ATOM 425 O GLU A 29 -0.512 31.565 15.701 1.00 1.00 O ATOM 426 CB GLU A 29 2.280 31.974 14.407 1.00 1.00 C ATOM 427 CG GLU A 29 3.787 31.757 14.142 1.00 1.00 C ATOM 428 CD GLU A 29 4.123 31.955 12.685 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.931 33.083 12.160 1.00 1.00 O ATOM 430 OE2 GLU A 29 4.558 30.969 12.027 1.00 1.00 O ATOM 0 H GLU A 29 1.257 29.671 15.700 1.00 1.00 H new ATOM 0 HA GLU A 29 2.571 32.158 16.549 1.00 1.00 H new ATOM 0 HB2 GLU A 29 1.701 31.345 13.731 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.020 33.008 14.181 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.368 32.451 14.749 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.071 30.750 14.449 1.00 1.00 H new ATOM 437 N MET A 30 0.352 33.302 16.829 1.00 1.00 N ATOM 438 CA MET A 30 -0.927 33.935 17.089 1.00 1.00 C ATOM 439 C MET A 30 -0.731 35.424 17.310 1.00 1.00 C ATOM 440 O MET A 30 0.401 35.914 17.300 1.00 1.00 O ATOM 441 CB MET A 30 -1.662 33.279 18.284 1.00 1.00 C ATOM 442 CG MET A 30 -0.925 33.377 19.636 1.00 1.00 C ATOM 443 SD MET A 30 -1.668 32.366 20.956 1.00 1.00 S ATOM 444 CE MET A 30 -1.129 30.757 20.304 1.00 1.00 C ATOM 0 H MET A 30 1.146 33.801 17.230 1.00 1.00 H new ATOM 0 HA MET A 30 -1.562 33.792 16.215 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.643 33.744 18.387 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.830 32.227 18.054 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.112 33.070 19.497 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.909 34.419 19.955 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.118 30.023 21.110 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.818 30.431 19.525 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.127 30.851 19.885 1.00 1.00 H new ATOM 454 N GLY A 31 -1.825 36.208 17.447 1.00 1.00 N ATOM 455 CA GLY A 31 -1.737 37.621 17.762 1.00 1.00 C ATOM 456 C GLY A 31 -1.674 37.866 19.253 1.00 1.00 C ATOM 457 O GLY A 31 -1.952 36.968 20.051 1.00 1.00 O ATOM 0 H GLY A 31 -2.780 35.866 17.340 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.852 38.044 17.287 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.600 38.140 17.345 1.00 1.00 H new ATOM 461 N PRO A 32 -1.373 39.080 19.688 1.00 1.00 N ATOM 462 CA PRO A 32 -1.144 39.385 21.096 1.00 1.00 C ATOM 463 C PRO A 32 -2.417 39.309 21.919 1.00 1.00 C ATOM 464 O PRO A 32 -2.340 38.984 23.106 1.00 1.00 O ATOM 465 CB PRO A 32 -0.505 40.788 21.085 1.00 1.00 C ATOM 466 CG PRO A 32 -0.837 41.372 19.710 1.00 1.00 C ATOM 467 CD PRO A 32 -0.882 40.140 18.815 1.00 1.00 C ATOM 0 HA PRO A 32 -0.493 38.656 21.578 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -0.908 41.410 21.884 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.573 40.731 21.238 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.790 41.901 19.716 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.079 42.083 19.380 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.544 40.292 17.962 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.104 39.902 18.415 1.00 1.00 H new ATOM 475 N THR A 33 -3.596 39.602 21.335 1.00 1.00 N ATOM 476 CA THR A 33 -4.896 39.414 21.982 1.00 1.00 C ATOM 477 C THR A 33 -5.219 37.949 22.203 1.00 1.00 C ATOM 478 O THR A 33 -5.675 37.554 23.275 1.00 1.00 O ATOM 479 CB THR A 33 -6.065 40.044 21.236 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.758 41.386 20.894 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.312 40.088 22.131 1.00 1.00 C ATOM 0 H THR A 33 -3.666 39.980 20.390 1.00 1.00 H new ATOM 0 HA THR A 33 -4.784 39.929 22.936 1.00 1.00 H new ATOM 0 HB THR A 33 -6.249 39.443 20.345 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.514 41.782 20.413 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.138 40.541 21.582 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.585 39.074 22.425 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.100 40.680 23.022 1.00 1.00 H new ATOM 489 N GLU A 34 -4.940 37.078 21.201 1.00 1.00 N ATOM 490 CA GLU A 34 -5.056 35.634 21.348 1.00 1.00 C ATOM 491 C GLU A 34 -4.120 35.100 22.425 1.00 1.00 C ATOM 492 O GLU A 34 -4.522 34.292 23.259 1.00 1.00 O ATOM 493 CB GLU A 34 -4.777 34.858 20.029 1.00 1.00 C ATOM 494 CG GLU A 34 -5.920 34.873 18.977 1.00 1.00 C ATOM 495 CD GLU A 34 -5.798 35.959 17.922 1.00 1.00 C ATOM 496 OE1 GLU A 34 -4.804 35.938 17.147 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.729 36.805 17.826 1.00 1.00 O ATOM 0 H GLU A 34 -4.630 37.373 20.275 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.094 35.465 21.636 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.881 35.273 19.569 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.555 33.821 20.281 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.950 33.904 18.479 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.871 34.994 19.496 1.00 1.00 H new ATOM 504 N PHE A 35 -2.862 35.590 22.472 1.00 1.00 N ATOM 505 CA PHE A 35 -1.895 35.248 23.502 1.00 1.00 C ATOM 506 C PHE A 35 -2.352 35.632 24.916 1.00 1.00 C ATOM 507 O PHE A 35 -2.298 34.827 25.845 1.00 1.00 O ATOM 508 CB PHE A 35 -0.537 35.929 23.158 1.00 1.00 C ATOM 509 CG PHE A 35 0.557 35.451 24.070 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.255 34.271 23.775 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.836 36.133 25.269 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.188 33.757 24.681 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.757 35.613 26.184 1.00 1.00 C ATOM 514 CZ PHE A 35 2.423 34.417 25.893 1.00 1.00 C ATOM 0 H PHE A 35 -2.498 36.243 21.778 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.788 34.163 23.512 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.271 35.714 22.123 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.638 37.011 23.243 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.071 33.757 22.843 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.335 37.065 25.484 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.727 32.851 24.446 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.953 36.132 27.111 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.120 34.002 26.606 1.00 1.00 H new ATOM 524 N LYS A 36 -2.865 36.863 25.112 1.00 1.00 N ATOM 525 CA LYS A 36 -3.351 37.338 26.400 1.00 1.00 C ATOM 526 C LYS A 36 -4.565 36.562 26.913 1.00 1.00 C ATOM 527 O LYS A 36 -4.675 36.231 28.097 1.00 1.00 O ATOM 528 CB LYS A 36 -3.675 38.846 26.316 1.00 1.00 C ATOM 529 CG LYS A 36 -3.815 39.536 27.682 1.00 1.00 C ATOM 530 CD LYS A 36 -4.173 41.022 27.526 1.00 1.00 C ATOM 531 CE LYS A 36 -4.230 41.789 28.854 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.485 43.215 28.592 1.00 1.00 N ATOM 0 H LYS A 36 -2.949 37.554 24.366 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.551 37.168 27.121 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.889 39.344 25.748 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.602 38.977 25.758 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -4.585 39.034 28.267 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.881 39.441 28.236 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.439 41.496 26.875 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -5.140 41.103 27.029 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -5.016 41.379 29.488 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.291 41.671 29.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -4.163 43.780 29.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.968 43.509 27.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -5.504 43.365 28.448 1.00 1.00 H new ATOM 546 N LEU A 37 -5.498 36.225 25.997 1.00 1.00 N ATOM 547 CA LEU A 37 -6.625 35.345 26.247 1.00 1.00 C ATOM 548 C LEU A 37 -6.203 33.923 26.598 1.00 1.00 C ATOM 549 O LEU A 37 -6.686 33.330 27.562 1.00 1.00 O ATOM 550 CB LEU A 37 -7.547 35.340 24.999 1.00 1.00 C ATOM 551 CG LEU A 37 -8.802 34.445 25.078 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.680 34.764 26.298 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.622 34.558 23.783 1.00 1.00 C ATOM 0 H LEU A 37 -5.474 36.576 25.040 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.159 35.729 27.116 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.869 36.364 24.807 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.956 35.025 24.139 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.454 33.419 25.197 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.548 34.105 26.304 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.104 34.613 27.211 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.012 35.801 26.246 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.504 33.921 23.854 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.932 35.593 23.638 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.012 34.240 22.937 1.00 1.00 H new ATOM 565 N LEU A 38 -5.233 33.357 25.853 1.00 1.00 N ATOM 566 CA LEU A 38 -4.655 32.054 26.129 1.00 1.00 C ATOM 567 C LEU A 38 -3.945 32.001 27.474 1.00 1.00 C ATOM 568 O LEU A 38 -4.104 31.046 28.225 1.00 1.00 O ATOM 569 CB LEU A 38 -3.716 31.596 24.986 1.00 1.00 C ATOM 570 CG LEU A 38 -3.182 30.148 25.097 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.296 29.092 25.201 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.271 29.825 23.904 1.00 1.00 C ATOM 0 H LEU A 38 -4.832 33.811 25.032 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.489 31.354 26.184 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.249 31.696 24.040 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.865 32.276 24.945 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.615 30.101 26.027 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.851 28.100 25.276 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.900 29.287 26.087 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.927 29.140 24.314 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.902 28.803 23.994 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.836 29.926 22.977 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.428 30.516 23.893 1.00 1.00 H new ATOM 584 N HIS A 39 -3.205 33.061 27.863 1.00 1.00 N ATOM 585 CA HIS A 39 -2.606 33.185 29.188 1.00 1.00 C ATOM 586 C HIS A 39 -3.639 33.122 30.315 1.00 1.00 C ATOM 587 O HIS A 39 -3.421 32.471 31.334 1.00 1.00 O ATOM 588 CB HIS A 39 -1.788 34.501 29.313 1.00 1.00 C ATOM 589 CG HIS A 39 -0.978 34.647 30.576 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.506 35.901 30.934 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.543 33.710 31.463 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.204 35.694 32.032 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.212 34.390 32.393 1.00 1.00 N ATOM 0 H HIS A 39 -3.011 33.856 27.254 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.941 32.328 29.296 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.113 34.571 28.460 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.476 35.343 29.245 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.748 32.650 31.442 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.716 36.474 32.576 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.687 33.987 33.201 1.00 1.00 H new ATOM 601 N PHE A 40 -4.814 33.768 30.145 1.00 1.00 N ATOM 602 CA PHE A 40 -5.930 33.652 31.074 1.00 1.00 C ATOM 603 C PHE A 40 -6.523 32.241 31.134 1.00 1.00 C ATOM 604 O PHE A 40 -6.808 31.719 32.210 1.00 1.00 O ATOM 605 CB PHE A 40 -7.031 34.696 30.738 1.00 1.00 C ATOM 606 CG PHE A 40 -7.990 34.849 31.889 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.625 35.601 33.018 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.233 34.195 31.879 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.481 35.689 34.125 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.089 34.276 32.985 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.711 35.020 34.108 1.00 1.00 C ATOM 0 H PHE A 40 -5.003 34.383 29.353 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.529 33.859 32.066 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.570 35.658 30.512 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.574 34.385 29.845 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.676 36.116 33.033 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.531 33.625 31.012 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.193 36.271 34.988 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.040 33.764 32.971 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.369 35.078 34.963 1.00 1.00 H new ATOM 621 N PHE A 41 -6.709 31.571 29.980 1.00 1.00 N ATOM 622 CA PHE A 41 -7.131 30.178 29.934 1.00 1.00 C ATOM 623 C PHE A 41 -6.144 29.192 30.566 1.00 1.00 C ATOM 624 O PHE A 41 -6.543 28.316 31.330 1.00 1.00 O ATOM 625 CB PHE A 41 -7.418 29.737 28.472 1.00 1.00 C ATOM 626 CG PHE A 41 -8.739 30.245 27.947 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.932 30.103 28.683 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.812 30.777 26.649 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.162 30.498 28.141 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.041 31.161 26.098 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.216 31.028 26.846 1.00 1.00 C ATOM 0 H PHE A 41 -6.568 31.989 29.060 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.039 30.143 30.536 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.616 30.095 27.827 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.407 28.648 28.419 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.898 29.684 29.678 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.909 30.891 26.068 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.067 30.394 28.721 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.082 31.560 25.095 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.163 31.333 26.425 1.00 1.00 H new ATOM 641 N MET A 42 -4.827 29.334 30.316 1.00 1.00 N ATOM 642 CA MET A 42 -3.773 28.508 30.899 1.00 1.00 C ATOM 643 C MET A 42 -3.700 28.603 32.424 1.00 1.00 C ATOM 644 O MET A 42 -3.380 27.632 33.113 1.00 1.00 O ATOM 645 CB MET A 42 -2.392 28.856 30.284 1.00 1.00 C ATOM 646 CG MET A 42 -2.246 28.473 28.793 1.00 1.00 C ATOM 647 SD MET A 42 -2.144 26.690 28.451 1.00 1.00 S ATOM 648 CE MET A 42 -0.335 26.557 28.473 1.00 1.00 C ATOM 0 H MET A 42 -4.466 30.049 29.684 1.00 1.00 H new ATOM 0 HA MET A 42 -4.034 27.478 30.656 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.219 29.927 30.391 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.614 28.349 30.855 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.095 28.883 28.246 1.00 1.00 H new ATOM 0 HG3 MET A 42 -1.351 28.953 28.398 1.00 1.00 H new ATOM 0 HE1 MET A 42 -0.045 25.515 28.334 1.00 1.00 H new ATOM 0 HE2 MET A 42 0.084 27.161 27.668 1.00 1.00 H new ATOM 0 HE3 MET A 42 0.045 26.915 29.430 1.00 1.00 H new ATOM 658 N THR A 43 -4.031 29.773 33.010 1.00 1.00 N ATOM 659 CA THR A 43 -4.117 29.920 34.461 1.00 1.00 C ATOM 660 C THR A 43 -5.490 29.558 35.018 1.00 1.00 C ATOM 661 O THR A 43 -5.679 29.555 36.234 1.00 1.00 O ATOM 662 CB THR A 43 -3.798 31.334 34.944 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.573 32.309 34.258 1.00 1.00 O ATOM 664 CG2 THR A 43 -2.326 31.657 34.659 1.00 1.00 C ATOM 0 H THR A 43 -4.242 30.625 32.491 1.00 1.00 H new ATOM 0 HA THR A 43 -3.366 29.222 34.831 1.00 1.00 H new ATOM 0 HB THR A 43 -4.021 31.366 36.010 1.00 1.00 H new ATOM 0 HG1 THR A 43 -4.228 32.419 33.347 1.00 1.00 H new ATOM 0 HG21 THR A 43 -2.101 32.666 35.005 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.689 30.944 35.183 1.00 1.00 H new ATOM 0 HG23 THR A 43 -2.140 31.591 33.587 1.00 1.00 H new ATOM 672 N HIS A 44 -6.491 29.219 34.172 1.00 1.00 N ATOM 673 CA HIS A 44 -7.823 28.836 34.644 1.00 1.00 C ATOM 674 C HIS A 44 -8.461 27.679 33.865 1.00 1.00 C ATOM 675 O HIS A 44 -9.501 27.886 33.226 1.00 1.00 O ATOM 676 CB HIS A 44 -8.817 30.028 34.590 1.00 1.00 C ATOM 677 CG HIS A 44 -8.379 31.238 35.364 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.541 32.179 34.834 1.00 1.00 N ATOM 679 CD2 HIS A 44 -8.599 31.590 36.651 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.247 33.071 35.764 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.881 32.735 36.874 1.00 1.00 N ATOM 0 H HIS A 44 -6.391 29.206 33.157 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.650 28.510 35.670 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.967 30.313 33.549 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.783 29.697 34.972 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -7.197 32.191 33.874 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -9.220 31.069 37.365 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.600 33.927 35.639 1.00 1.00 H new ATOM 690 N PRO A 45 -7.941 26.453 33.877 1.00 1.00 N ATOM 691 CA PRO A 45 -8.573 25.315 33.214 1.00 1.00 C ATOM 692 C PRO A 45 -9.778 24.776 33.980 1.00 1.00 C ATOM 693 O PRO A 45 -9.897 24.988 35.186 1.00 1.00 O ATOM 694 CB PRO A 45 -7.439 24.276 33.175 1.00 1.00 C ATOM 695 CG PRO A 45 -6.645 24.551 34.455 1.00 1.00 C ATOM 696 CD PRO A 45 -6.700 26.074 34.563 1.00 1.00 C ATOM 0 HA PRO A 45 -8.973 25.578 32.235 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.830 23.259 33.158 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.819 24.394 32.287 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -7.094 24.067 35.322 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.620 24.187 34.382 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.709 26.397 35.604 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.831 26.536 34.093 1.00 1.00 H new ATOM 704 N GLU A 46 -10.698 24.084 33.278 1.00 1.00 N ATOM 705 CA GLU A 46 -11.797 23.300 33.824 1.00 1.00 C ATOM 706 C GLU A 46 -12.821 24.094 34.631 1.00 1.00 C ATOM 707 O GLU A 46 -13.349 23.634 35.647 1.00 1.00 O ATOM 708 CB GLU A 46 -11.284 22.065 34.615 1.00 1.00 C ATOM 709 CG GLU A 46 -10.472 21.056 33.762 1.00 1.00 C ATOM 710 CD GLU A 46 -11.355 20.155 32.921 1.00 1.00 C ATOM 711 OE1 GLU A 46 -12.073 20.645 32.010 1.00 1.00 O ATOM 712 OE2 GLU A 46 -11.351 18.921 33.173 1.00 1.00 O ATOM 0 H GLU A 46 -10.683 24.064 32.258 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.344 22.952 32.948 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.661 22.409 35.441 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.138 21.548 35.054 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.792 21.603 33.109 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.857 20.443 34.420 1.00 1.00 H new ATOM 719 N ARG A 47 -13.152 25.310 34.161 1.00 1.00 N ATOM 720 CA ARG A 47 -14.148 26.170 34.770 1.00 1.00 C ATOM 721 C ARG A 47 -14.745 27.046 33.679 1.00 1.00 C ATOM 722 O ARG A 47 -14.050 27.401 32.727 1.00 1.00 O ATOM 723 CB ARG A 47 -13.502 27.029 35.888 1.00 1.00 C ATOM 724 CG ARG A 47 -14.501 27.862 36.712 1.00 1.00 C ATOM 725 CD ARG A 47 -13.858 28.586 37.897 1.00 1.00 C ATOM 726 NE ARG A 47 -14.973 29.289 38.601 1.00 1.00 N ATOM 727 CZ ARG A 47 -14.817 30.024 39.704 1.00 1.00 C ATOM 728 NH1 ARG A 47 -13.643 30.184 40.299 1.00 1.00 N ATOM 729 NH2 ARG A 47 -15.856 30.652 40.249 1.00 1.00 N ATOM 0 H ARG A 47 -12.720 25.718 33.332 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.936 25.575 35.231 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.954 26.372 36.563 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.773 27.702 35.436 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.974 28.597 36.060 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -15.291 27.208 37.081 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.359 27.881 38.562 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -13.102 29.294 37.558 1.00 1.00 H new ATOM 0 HE ARG A 47 -15.913 29.202 38.214 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -12.811 29.736 39.915 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -13.572 30.755 41.141 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -16.780 30.573 39.824 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -15.729 31.212 41.092 1.00 1.00 H new ATOM 743 N VAL A 48 -16.047 27.402 33.745 1.00 1.00 N ATOM 744 CA VAL A 48 -16.708 28.107 32.653 1.00 1.00 C ATOM 745 C VAL A 48 -16.635 29.616 32.845 1.00 1.00 C ATOM 746 O VAL A 48 -16.893 30.162 33.920 1.00 1.00 O ATOM 747 CB VAL A 48 -18.163 27.678 32.456 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.745 28.263 31.150 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.250 26.139 32.412 1.00 1.00 C ATOM 0 H VAL A 48 -16.649 27.208 34.545 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.163 27.832 31.750 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.746 28.059 33.294 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.780 27.941 31.037 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.706 29.352 31.190 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.160 27.910 30.301 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.288 25.837 32.272 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.648 25.764 31.584 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.876 25.726 33.349 1.00 1.00 H new ATOM 759 N TYR A 49 -16.269 30.328 31.769 1.00 1.00 N ATOM 760 CA TYR A 49 -16.152 31.772 31.726 1.00 1.00 C ATOM 761 C TYR A 49 -17.035 32.275 30.613 1.00 1.00 C ATOM 762 O TYR A 49 -16.970 31.818 29.470 1.00 1.00 O ATOM 763 CB TYR A 49 -14.691 32.228 31.474 1.00 1.00 C ATOM 764 CG TYR A 49 -13.856 31.973 32.700 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.196 30.745 32.886 1.00 1.00 C ATOM 766 CD2 TYR A 49 -13.746 32.957 33.695 1.00 1.00 C ATOM 767 CE1 TYR A 49 -12.461 30.503 34.055 1.00 1.00 C ATOM 768 CE2 TYR A 49 -13.006 32.720 34.862 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.369 31.489 35.044 1.00 1.00 C ATOM 770 OH TYR A 49 -11.639 31.234 36.223 1.00 1.00 O ATOM 0 H TYR A 49 -16.041 29.887 30.878 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.457 32.180 32.690 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.275 31.691 30.622 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.670 33.289 31.223 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -13.256 29.983 32.123 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -14.238 33.909 33.560 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -11.965 29.554 34.193 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -12.928 33.487 35.619 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.673 32.021 36.806 1.00 1.00 H new ATOM 780 N SER A 50 -17.908 33.245 30.941 1.00 1.00 N ATOM 781 CA SER A 50 -18.705 33.962 29.967 1.00 1.00 C ATOM 782 C SER A 50 -17.850 34.919 29.165 1.00 1.00 C ATOM 783 O SER A 50 -16.732 35.274 29.545 1.00 1.00 O ATOM 784 CB SER A 50 -19.906 34.725 30.595 1.00 1.00 C ATOM 785 OG SER A 50 -19.492 35.821 31.416 1.00 1.00 O ATOM 0 H SER A 50 -18.071 33.545 31.902 1.00 1.00 H new ATOM 0 HA SER A 50 -19.120 33.202 29.306 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.552 35.096 29.799 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.500 34.033 31.192 1.00 1.00 H new ATOM 0 HG SER A 50 -20.281 36.269 31.786 1.00 1.00 H new ATOM 791 N ARG A 51 -18.361 35.384 28.012 1.00 1.00 N ATOM 792 CA ARG A 51 -17.693 36.376 27.192 1.00 1.00 C ATOM 793 C ARG A 51 -17.476 37.679 27.952 1.00 1.00 C ATOM 794 O ARG A 51 -16.427 38.304 27.835 1.00 1.00 O ATOM 795 CB ARG A 51 -18.470 36.596 25.875 1.00 1.00 C ATOM 796 CG ARG A 51 -18.549 35.310 25.030 1.00 1.00 C ATOM 797 CD ARG A 51 -19.594 35.366 23.917 1.00 1.00 C ATOM 798 NE ARG A 51 -19.519 34.062 23.190 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.224 32.968 23.487 1.00 1.00 C ATOM 800 NH1 ARG A 51 -20.962 32.840 24.584 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.172 31.946 22.642 1.00 1.00 N ATOM 0 H ARG A 51 -19.255 35.072 27.632 1.00 1.00 H new ATOM 0 HA ARG A 51 -16.703 35.998 26.937 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.478 36.943 26.102 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -17.986 37.382 25.295 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.572 35.116 24.588 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -18.775 34.469 25.686 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.591 35.522 24.330 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.395 36.198 23.241 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.875 34.003 22.401 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.012 33.605 25.257 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.478 31.977 24.753 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.606 32.012 21.796 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.698 31.095 22.838 1.00 1.00 H new ATOM 815 N GLU A 52 -18.433 38.066 28.820 1.00 1.00 N ATOM 816 CA GLU A 52 -18.301 39.173 29.749 1.00 1.00 C ATOM 817 C GLU A 52 -17.152 39.026 30.745 1.00 1.00 C ATOM 818 O GLU A 52 -16.392 39.974 30.955 1.00 1.00 O ATOM 819 CB GLU A 52 -19.631 39.391 30.511 1.00 1.00 C ATOM 820 CG GLU A 52 -19.598 40.574 31.512 1.00 1.00 C ATOM 821 CD GLU A 52 -20.984 40.930 32.004 1.00 1.00 C ATOM 822 OE1 GLU A 52 -21.803 41.407 31.175 1.00 1.00 O ATOM 823 OE2 GLU A 52 -21.279 40.752 33.215 1.00 1.00 O ATOM 0 H GLU A 52 -19.336 37.596 28.884 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.061 40.043 29.138 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.428 39.563 29.788 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.882 38.478 31.051 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -18.966 40.314 32.361 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -19.147 41.443 31.033 1.00 1.00 H new ATOM 830 N GLN A 53 -16.935 37.833 31.358 1.00 1.00 N ATOM 831 CA GLN A 53 -15.789 37.634 32.229 1.00 1.00 C ATOM 832 C GLN A 53 -14.475 37.734 31.467 1.00 1.00 C ATOM 833 O GLN A 53 -13.532 38.402 31.890 1.00 1.00 O ATOM 834 CB GLN A 53 -15.878 36.259 32.925 1.00 1.00 C ATOM 835 CG GLN A 53 -17.085 36.137 33.882 1.00 1.00 C ATOM 836 CD GLN A 53 -17.244 34.694 34.349 1.00 1.00 C ATOM 837 OE1 GLN A 53 -18.009 33.910 33.780 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.479 34.310 35.391 1.00 1.00 N ATOM 0 H GLN A 53 -17.539 37.017 31.256 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.808 38.427 32.977 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -15.944 35.479 32.167 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -14.960 36.082 33.485 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -16.944 36.792 34.742 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -17.993 36.466 33.377 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -15.856 34.981 35.841 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.523 33.349 35.729 1.00 1.00 H new ATOM 847 N LEU A 54 -14.403 37.111 30.273 1.00 1.00 N ATOM 848 CA LEU A 54 -13.243 37.183 29.405 1.00 1.00 C ATOM 849 C LEU A 54 -12.928 38.598 28.929 1.00 1.00 C ATOM 850 O LEU A 54 -11.774 39.017 28.939 1.00 1.00 O ATOM 851 CB LEU A 54 -13.400 36.240 28.185 1.00 1.00 C ATOM 852 CG LEU A 54 -13.535 34.744 28.547 1.00 1.00 C ATOM 853 CD1 LEU A 54 -13.833 33.907 27.293 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.295 34.196 29.271 1.00 1.00 C ATOM 0 H LEU A 54 -15.161 36.543 29.895 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.400 36.856 30.013 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.279 36.544 27.617 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.538 36.366 27.530 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.373 34.664 29.240 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -13.924 32.857 27.570 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -14.766 34.246 26.843 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.020 34.024 26.576 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.445 33.141 29.501 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.421 34.307 28.630 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.139 34.751 30.196 1.00 1.00 H new ATOM 866 N LEU A 55 -13.936 39.399 28.537 1.00 1.00 N ATOM 867 CA LEU A 55 -13.742 40.783 28.137 1.00 1.00 C ATOM 868 C LEU A 55 -13.181 41.682 29.223 1.00 1.00 C ATOM 869 O LEU A 55 -12.196 42.386 29.010 1.00 1.00 O ATOM 870 CB LEU A 55 -15.061 41.371 27.585 1.00 1.00 C ATOM 871 CG LEU A 55 -15.362 40.866 26.161 1.00 1.00 C ATOM 872 CD1 LEU A 55 -16.832 41.076 25.782 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.451 41.548 25.132 1.00 1.00 C ATOM 0 H LEU A 55 -14.908 39.092 28.493 1.00 1.00 H new ATOM 0 HA LEU A 55 -12.982 40.757 27.356 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -15.884 41.102 28.247 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -14.999 42.459 27.579 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.162 39.795 26.154 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.003 40.707 24.771 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.469 40.532 26.480 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.071 42.139 25.826 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -14.684 41.174 24.135 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.612 42.626 25.162 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.409 41.330 25.367 1.00 1.00 H new ATOM 885 N ASN A 56 -13.741 41.638 30.442 1.00 1.00 N ATOM 886 CA ASN A 56 -13.234 42.423 31.553 1.00 1.00 C ATOM 887 C ASN A 56 -11.866 41.965 32.058 1.00 1.00 C ATOM 888 O ASN A 56 -10.992 42.784 32.346 1.00 1.00 O ATOM 889 CB ASN A 56 -14.287 42.468 32.681 1.00 1.00 C ATOM 890 CG ASN A 56 -15.458 43.310 32.189 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.332 44.524 31.984 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.619 42.676 31.930 1.00 1.00 N ATOM 0 H ASN A 56 -14.549 41.060 30.673 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.064 43.435 31.184 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.620 41.461 32.934 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.860 42.899 33.586 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.413 43.197 31.558 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.704 41.675 32.106 1.00 1.00 H new ATOM 899 N HIS A 57 -11.628 40.640 32.150 1.00 1.00 N ATOM 900 CA HIS A 57 -10.325 40.098 32.509 1.00 1.00 C ATOM 901 C HIS A 57 -9.216 40.309 31.478 1.00 1.00 C ATOM 902 O HIS A 57 -8.077 40.602 31.835 1.00 1.00 O ATOM 903 CB HIS A 57 -10.398 38.582 32.817 1.00 1.00 C ATOM 904 CG HIS A 57 -11.229 38.229 34.016 1.00 1.00 C ATOM 905 ND1 HIS A 57 -12.122 37.220 34.194 1.00 1.00 N flip ATOM 906 CD2 HIS A 57 -11.009 38.886 35.215 1.00 1.00 C flip ATOM 907 CE1 HIS A 57 -12.462 37.247 35.528 1.00 1.00 C flip ATOM 908 NE2 HIS A 57 -11.767 38.257 36.098 1.00 1.00 N flip ATOM 0 H HIS A 57 -12.338 39.929 31.976 1.00 1.00 H new ATOM 0 HA HIS A 57 -10.059 40.674 33.396 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.803 38.066 31.946 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.386 38.206 32.969 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -10.359 39.730 35.391 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -13.155 36.585 36.026 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -11.821 38.503 37.086 1.00 1.00 H new ATOM 916 N VAL A 58 -9.490 40.132 30.168 1.00 1.00 N ATOM 917 CA VAL A 58 -8.439 40.116 29.153 1.00 1.00 C ATOM 918 C VAL A 58 -8.332 41.442 28.435 1.00 1.00 C ATOM 919 O VAL A 58 -7.291 42.091 28.467 1.00 1.00 O ATOM 920 CB VAL A 58 -8.667 38.996 28.142 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.606 38.995 27.023 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.636 37.658 28.899 1.00 1.00 C ATOM 0 H VAL A 58 -10.431 39.999 29.798 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.499 39.934 29.675 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.632 39.150 27.659 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -7.811 38.180 26.328 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.640 39.944 26.489 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.617 38.860 27.460 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.797 36.839 28.198 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.667 37.536 29.383 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.422 37.649 29.654 1.00 1.00 H new ATOM 932 N TRP A 59 -9.407 41.887 27.755 1.00 1.00 N ATOM 933 CA TRP A 59 -9.405 43.116 26.984 1.00 1.00 C ATOM 934 C TRP A 59 -9.283 44.347 27.868 1.00 1.00 C ATOM 935 O TRP A 59 -8.504 45.261 27.588 1.00 1.00 O ATOM 936 CB TRP A 59 -10.675 43.217 26.092 1.00 1.00 C ATOM 937 CG TRP A 59 -10.645 42.398 24.805 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.472 42.882 23.540 1.00 1.00 C ATOM 939 CD2 TRP A 59 -10.883 40.981 24.661 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.553 41.863 22.616 1.00 1.00 N ATOM 941 CE2 TRP A 59 -10.844 40.694 23.280 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.151 39.975 25.585 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.099 39.412 22.813 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.418 38.681 25.113 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.404 38.403 23.740 1.00 1.00 C ATOM 0 H TRP A 59 -10.298 41.392 27.734 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.525 43.083 26.341 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.537 42.903 26.681 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -10.832 44.264 25.832 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.296 43.920 23.297 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.420 41.959 21.609 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.153 40.186 26.644 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.063 39.195 21.756 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.637 37.891 25.816 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.629 37.406 23.392 1.00 1.00 H new ATOM 956 N GLY A 60 -10.025 44.359 28.990 1.00 1.00 N ATOM 957 CA GLY A 60 -10.020 45.465 29.941 1.00 1.00 C ATOM 958 C GLY A 60 -11.398 45.927 30.321 1.00 1.00 C ATOM 959 O GLY A 60 -12.392 45.703 29.632 1.00 1.00 O ATOM 0 H GLY A 60 -10.645 43.594 29.256 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.486 45.159 30.841 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -9.469 46.302 29.512 1.00 1.00 H new ATOM 963 N THR A 61 -11.501 46.603 31.476 1.00 1.00 N ATOM 964 CA THR A 61 -12.772 46.980 32.083 1.00 1.00 C ATOM 965 C THR A 61 -13.378 48.248 31.516 1.00 1.00 C ATOM 966 O THR A 61 -14.591 48.447 31.615 1.00 1.00 O ATOM 967 CB THR A 61 -12.700 47.115 33.603 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.655 47.978 34.026 1.00 1.00 O ATOM 969 CG2 THR A 61 -12.416 45.734 34.209 1.00 1.00 C ATOM 0 H THR A 61 -10.689 46.904 32.016 1.00 1.00 H new ATOM 0 HA THR A 61 -13.423 46.144 31.827 1.00 1.00 H new ATOM 0 HB THR A 61 -13.653 47.530 33.932 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.652 48.033 35.004 1.00 1.00 H new ATOM 0 HG21 THR A 61 -12.362 45.817 35.294 1.00 1.00 H new ATOM 0 HG22 THR A 61 -13.216 45.046 33.937 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.468 45.357 33.827 1.00 1.00 H new ATOM 977 N ASN A 62 -12.571 49.109 30.861 1.00 1.00 N ATOM 978 CA ASN A 62 -13.018 50.349 30.237 1.00 1.00 C ATOM 979 C ASN A 62 -12.821 50.276 28.724 1.00 1.00 C ATOM 980 O ASN A 62 -12.887 51.269 27.999 1.00 1.00 O ATOM 981 CB ASN A 62 -12.273 51.574 30.829 1.00 1.00 C ATOM 982 CG ASN A 62 -12.565 51.663 32.327 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.718 51.554 32.765 1.00 1.00 O ATOM 984 ND2 ASN A 62 -11.505 51.856 33.143 1.00 1.00 N ATOM 0 H ASN A 62 -11.569 48.948 30.755 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.080 50.475 30.447 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.200 51.479 30.660 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -12.595 52.487 30.329 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -11.642 51.916 34.152 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.568 51.942 32.750 1.00 1.00 H new ATOM 991 N VAL A 63 -12.599 49.057 28.201 1.00 1.00 N ATOM 992 CA VAL A 63 -12.509 48.766 26.781 1.00 1.00 C ATOM 993 C VAL A 63 -13.882 48.357 26.269 1.00 1.00 C ATOM 994 O VAL A 63 -14.664 47.702 26.962 1.00 1.00 O ATOM 995 CB VAL A 63 -11.474 47.680 26.511 1.00 1.00 C ATOM 996 CG1 VAL A 63 -11.366 47.312 25.018 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.110 48.198 27.000 1.00 1.00 C ATOM 0 H VAL A 63 -12.475 48.229 28.784 1.00 1.00 H new ATOM 0 HA VAL A 63 -12.182 49.660 26.250 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.783 46.778 27.038 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -10.614 46.534 24.889 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.330 46.947 24.662 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -11.078 48.194 24.446 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -9.347 47.441 26.820 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -9.852 49.109 26.460 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.163 48.412 28.067 1.00 1.00 H new ATOM 1007 N TYR A 64 -14.233 48.767 25.040 1.00 1.00 N ATOM 1008 CA TYR A 64 -15.562 48.585 24.476 1.00 1.00 C ATOM 1009 C TYR A 64 -15.513 47.907 23.114 1.00 1.00 C ATOM 1010 O TYR A 64 -14.931 48.403 22.146 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.402 49.900 24.430 1.00 1.00 C ATOM 1012 CG TYR A 64 -15.573 51.134 24.172 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -15.232 51.522 22.867 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -15.123 51.915 25.252 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -14.422 52.645 22.645 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -14.324 53.045 25.033 1.00 1.00 C ATOM 1017 CZ TYR A 64 -13.965 53.403 23.729 1.00 1.00 C ATOM 1018 OH TYR A 64 -13.106 54.495 23.505 1.00 1.00 O ATOM 0 H TYR A 64 -13.586 49.240 24.409 1.00 1.00 H new ATOM 0 HA TYR A 64 -16.083 47.917 25.162 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -17.159 49.811 23.651 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -16.930 50.018 25.376 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -15.597 50.951 22.026 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -15.396 51.641 26.260 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -14.151 52.925 21.638 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -13.986 53.639 25.869 1.00 1.00 H new ATOM 0 HH TYR A 64 -12.882 54.916 24.361 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.155 46.729 23.034 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.325 45.930 21.835 1.00 1.00 C ATOM 1030 C VAL A 65 -17.587 45.119 22.031 1.00 1.00 C ATOM 1031 O VAL A 65 -18.116 45.014 23.141 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.187 44.955 21.497 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -13.929 45.696 21.051 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -14.801 44.049 22.667 1.00 1.00 C ATOM 0 H VAL A 65 -16.586 46.298 23.851 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.352 46.632 21.002 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.579 44.339 20.688 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.145 44.975 20.820 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.151 46.288 20.163 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -13.592 46.355 21.851 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -13.992 43.385 22.362 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.471 44.660 23.507 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.664 43.455 22.967 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.109 44.520 20.948 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.223 43.602 20.984 1.00 1.00 C ATOM 1046 C GLU A 66 -18.865 42.293 21.665 1.00 1.00 C ATOM 1047 O GLU A 66 -17.711 41.860 21.676 1.00 1.00 O ATOM 1048 CB GLU A 66 -19.728 43.274 19.560 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.198 44.511 18.767 1.00 1.00 C ATOM 1050 CD GLU A 66 -20.694 44.105 17.393 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -20.313 43.141 16.753 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.623 44.977 16.915 1.00 1.00 O ATOM 0 H GLU A 66 -17.748 44.675 20.007 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.004 44.105 21.555 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -18.930 42.780 19.006 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.552 42.565 19.631 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -20.994 45.019 19.312 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -19.377 45.221 18.668 1.00 1.00 H new ATOM 1060 N ASP A 67 -19.880 41.589 22.200 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.744 40.302 22.864 1.00 1.00 C ATOM 1062 C ASP A 67 -19.110 39.252 21.945 1.00 1.00 C ATOM 1063 O ASP A 67 -18.357 38.376 22.365 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.132 39.794 23.334 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.855 40.855 24.127 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -21.375 41.276 25.209 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -22.943 41.302 23.676 1.00 1.00 O ATOM 0 H ASP A 67 -20.844 41.921 22.175 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.089 40.448 23.723 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.731 39.510 22.469 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -21.008 38.899 23.944 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.375 39.376 20.630 1.00 1.00 N ATOM 1073 CA ARG A 68 -18.967 38.429 19.616 1.00 1.00 C ATOM 1074 C ARG A 68 -17.598 38.726 19.026 1.00 1.00 C ATOM 1075 O ARG A 68 -17.128 38.025 18.131 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.021 38.404 18.480 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.411 37.923 18.944 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.381 36.477 19.441 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.741 36.109 19.904 1.00 1.00 N ATOM 1080 CZ ARG A 68 -22.978 35.004 20.611 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.087 34.025 20.745 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.150 34.871 21.221 1.00 1.00 N ATOM 0 H ARG A 68 -19.895 40.167 20.250 1.00 1.00 H new ATOM 0 HA ARG A 68 -18.895 37.458 20.105 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.113 39.405 18.058 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.667 37.753 17.681 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.772 38.573 19.741 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.118 38.008 18.119 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.059 35.809 18.642 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.663 36.371 20.254 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.522 36.723 19.673 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.174 34.101 20.296 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.316 33.199 21.297 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -24.851 35.608 21.144 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.349 34.032 21.766 1.00 1.00 H new ATOM 1096 N THR A 69 -16.854 39.723 19.556 1.00 1.00 N ATOM 1097 CA THR A 69 -15.434 39.849 19.253 1.00 1.00 C ATOM 1098 C THR A 69 -14.629 38.795 20.003 1.00 1.00 C ATOM 1099 O THR A 69 -13.547 38.374 19.579 1.00 1.00 O ATOM 1100 CB THR A 69 -15.002 41.280 19.518 1.00 1.00 C ATOM 1101 OG1 THR A 69 -15.559 42.050 18.460 1.00 1.00 O ATOM 1102 CG2 THR A 69 -13.481 41.482 19.499 1.00 1.00 C ATOM 0 H THR A 69 -17.219 40.437 20.186 1.00 1.00 H new ATOM 0 HA THR A 69 -15.239 39.651 18.199 1.00 1.00 H new ATOM 0 HB THR A 69 -15.339 41.568 20.514 1.00 1.00 H new ATOM 0 HG1 THR A 69 -15.315 42.992 18.577 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.251 42.529 19.696 1.00 1.00 H new ATOM 0 HG22 THR A 69 -13.022 40.859 20.266 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.089 41.202 18.521 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.192 38.240 21.101 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.661 37.048 21.749 1.00 1.00 C ATOM 1112 C VAL A 70 -14.733 35.821 20.846 1.00 1.00 C ATOM 1113 O VAL A 70 -13.730 35.138 20.659 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.362 36.756 23.071 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.683 35.575 23.799 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.300 38.011 23.961 1.00 1.00 C ATOM 0 H VAL A 70 -16.026 38.616 21.552 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.612 37.262 21.953 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.399 36.489 22.870 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.198 35.383 24.740 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.730 34.685 23.171 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.641 35.822 24.000 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -15.800 37.810 24.909 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.259 38.273 24.148 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -15.798 38.839 23.457 1.00 1.00 H new ATOM 1126 N ASP A 71 -15.889 35.563 20.193 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.143 34.424 19.317 1.00 1.00 C ATOM 1128 C ASP A 71 -15.175 34.341 18.141 1.00 1.00 C ATOM 1129 O ASP A 71 -14.646 33.275 17.825 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.574 34.494 18.709 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.686 34.379 19.730 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.558 34.929 20.847 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.749 33.794 19.385 1.00 1.00 O ATOM 0 H ASP A 71 -16.699 36.178 20.274 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.017 33.549 19.954 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.684 35.437 18.173 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.685 33.695 17.975 1.00 1.00 H new ATOM 1138 N VAL A 72 -14.898 35.488 17.488 1.00 1.00 N ATOM 1139 CA VAL A 72 -13.905 35.618 16.427 1.00 1.00 C ATOM 1140 C VAL A 72 -12.487 35.342 16.919 1.00 1.00 C ATOM 1141 O VAL A 72 -11.715 34.622 16.292 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.003 36.979 15.744 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -12.937 37.131 14.641 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.402 37.096 15.111 1.00 1.00 C ATOM 0 H VAL A 72 -15.376 36.365 17.696 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.132 34.852 15.686 1.00 1.00 H new ATOM 0 HB VAL A 72 -13.837 37.761 16.485 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.034 38.111 14.174 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.944 37.034 15.079 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.079 36.355 13.889 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.498 38.062 14.615 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.539 36.298 14.381 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.161 37.010 15.888 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.097 35.850 18.108 1.00 1.00 N ATOM 1155 CA HIS A 73 -10.797 35.510 18.679 1.00 1.00 C ATOM 1156 C HIS A 73 -10.687 34.060 19.150 1.00 1.00 C ATOM 1157 O HIS A 73 -9.615 33.472 19.068 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.402 36.445 19.838 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.006 37.819 19.368 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -8.776 38.092 18.837 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -10.665 38.997 19.441 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -8.675 39.395 18.624 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -9.805 39.961 18.995 1.00 1.00 N ATOM 0 H HIS A 73 -12.660 36.485 18.675 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.101 35.645 17.851 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.238 36.530 20.532 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -9.573 36.002 20.390 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.052 37.402 18.637 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -11.677 39.148 19.786 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -7.815 39.905 18.217 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.783 33.431 19.625 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.866 31.995 19.901 1.00 1.00 C ATOM 1174 C ILE A 74 -11.654 31.159 18.641 1.00 1.00 C ATOM 1175 O ILE A 74 -10.899 30.188 18.652 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.193 31.653 20.586 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.224 32.185 22.042 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.530 30.145 20.539 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.393 31.384 23.055 1.00 1.00 C ATOM 0 H ILE A 74 -12.651 33.926 19.829 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.056 31.742 20.585 1.00 1.00 H new ATOM 0 HB ILE A 74 -13.971 32.160 20.015 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.870 33.216 22.042 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.260 32.204 22.382 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.481 29.969 21.041 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.602 29.820 19.501 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.745 29.581 21.042 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.483 31.840 24.041 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.758 30.358 23.095 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.347 31.385 22.749 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.259 31.559 17.498 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.007 30.960 16.195 1.00 1.00 C ATOM 1193 C ARG A 75 -10.543 31.079 15.769 1.00 1.00 C ATOM 1194 O ARG A 75 -9.920 30.100 15.360 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.944 31.612 15.132 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.625 31.319 13.646 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.623 29.832 13.280 1.00 1.00 C ATOM 1198 NE ARG A 75 -12.048 29.707 11.903 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.285 28.677 11.509 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.979 27.676 12.328 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.815 28.652 10.265 1.00 1.00 N ATOM 0 H ARG A 75 -12.941 32.317 17.470 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.223 29.894 16.272 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.964 31.284 15.331 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.923 32.692 15.277 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.356 31.833 13.022 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -11.649 31.741 13.407 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -12.031 29.262 13.996 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.635 29.428 13.311 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.248 30.445 11.228 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -11.327 27.677 13.287 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -10.396 26.907 11.998 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.036 29.412 9.621 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -10.234 27.873 9.955 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.932 32.272 15.921 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.514 32.488 15.670 1.00 1.00 C ATOM 1217 C ARG A 76 -7.604 31.667 16.583 1.00 1.00 C ATOM 1218 O ARG A 76 -6.622 31.083 16.135 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.168 33.995 15.771 1.00 1.00 C ATOM 1220 CG ARG A 76 -8.807 34.827 14.639 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.653 36.342 14.811 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.244 36.967 13.585 1.00 1.00 N ATOM 1223 CZ ARG A 76 -9.718 38.215 13.487 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.539 39.124 14.441 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.380 38.565 12.386 1.00 1.00 N ATOM 0 H ARG A 76 -10.424 33.112 16.225 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.325 32.139 14.655 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.506 34.378 16.734 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.085 34.118 15.741 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.359 34.533 13.690 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -9.868 34.585 14.580 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.167 36.686 15.709 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.604 36.616 14.920 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.290 36.388 12.747 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -9.024 38.881 15.287 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.917 40.064 14.327 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -10.518 37.887 11.637 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -10.749 39.511 12.292 1.00 1.00 H new ATOM 1239 N LEU A 77 -7.927 31.556 17.888 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.208 30.722 18.838 1.00 1.00 C ATOM 1241 C LEU A 77 -7.258 29.229 18.511 1.00 1.00 C ATOM 1242 O LEU A 77 -6.239 28.539 18.534 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.745 30.984 20.267 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.964 30.306 21.415 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.495 30.755 21.467 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.645 30.587 22.764 1.00 1.00 C ATOM 0 H LEU A 77 -8.711 32.058 18.306 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.157 31.003 18.771 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.749 32.060 20.442 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.782 30.650 20.312 1.00 1.00 H new ATOM 0 HG LEU A 77 -6.973 29.234 21.217 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.989 30.251 22.290 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.003 30.500 20.528 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.449 31.833 21.619 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.083 30.103 23.563 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.673 31.662 22.940 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.662 30.195 22.747 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.435 28.682 18.137 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.548 27.323 17.628 1.00 1.00 C ATOM 1260 C ARG A 78 -7.762 27.093 16.343 1.00 1.00 C ATOM 1261 O ARG A 78 -7.028 26.115 16.221 1.00 1.00 O ATOM 1262 CB ARG A 78 -10.033 26.976 17.384 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.815 26.769 18.693 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.329 26.785 18.486 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.926 26.399 19.800 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.216 26.567 20.126 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.074 27.188 19.327 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.642 26.090 21.292 1.00 1.00 N ATOM 0 H ARG A 78 -9.324 29.180 18.184 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.118 26.671 18.389 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.499 27.776 16.809 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.096 26.071 16.780 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.524 25.818 19.139 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.541 27.550 19.402 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.671 27.773 18.177 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.624 26.086 17.703 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.311 25.979 20.497 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.760 27.557 18.430 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.048 27.296 19.610 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -13.992 25.610 21.915 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.618 26.205 21.564 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.835 28.029 15.377 1.00 1.00 N ATOM 1283 CA LYS A 79 -7.058 27.989 14.149 1.00 1.00 C ATOM 1284 C LYS A 79 -5.547 28.019 14.391 1.00 1.00 C ATOM 1285 O LYS A 79 -4.775 27.291 13.766 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.484 29.168 13.241 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.842 29.140 11.848 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.350 30.261 10.929 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.515 30.435 9.653 1.00 1.00 C ATOM 1290 NZ LYS A 79 -6.502 29.203 8.845 1.00 1.00 N ATOM 0 H LYS A 79 -8.448 28.841 15.441 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.267 27.038 13.659 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.568 29.157 13.131 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.223 30.105 13.732 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.760 29.225 11.951 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -7.043 28.176 11.381 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.383 30.052 10.651 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -7.353 31.200 11.482 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -6.920 31.256 9.061 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -5.494 30.708 9.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -5.957 29.365 7.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -6.062 28.435 9.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -7.477 28.939 8.599 1.00 1.00 H new ATOM 1304 N ALA A 80 -5.082 28.844 15.347 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.706 28.907 15.788 1.00 1.00 C ATOM 1306 C ALA A 80 -3.169 27.617 16.409 1.00 1.00 C ATOM 1307 O ALA A 80 -2.023 27.233 16.163 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.543 30.065 16.792 1.00 1.00 C ATOM 0 H ALA A 80 -5.687 29.501 15.841 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.114 29.070 14.887 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.506 30.114 17.126 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.814 31.005 16.311 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.193 29.896 17.651 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.977 26.900 17.227 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.505 25.756 17.973 1.00 1.00 C ATOM 1316 C LEU A 81 -3.806 24.441 17.268 1.00 1.00 C ATOM 1317 O LEU A 81 -3.335 23.391 17.702 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.179 25.723 19.369 1.00 1.00 C ATOM 1319 CG LEU A 81 -3.868 26.919 20.297 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -4.725 26.828 21.569 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.382 27.008 20.673 1.00 1.00 C ATOM 0 H LEU A 81 -4.964 27.113 17.373 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.424 25.861 18.062 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.259 25.668 19.229 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -3.876 24.807 19.876 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.112 27.826 19.744 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.502 27.674 22.220 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -5.781 26.847 21.299 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.501 25.898 22.093 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.223 27.866 21.326 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.083 26.097 21.192 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.784 27.124 19.769 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.560 24.449 16.147 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.817 23.263 15.337 1.00 1.00 C ATOM 1335 C GLU A 82 -3.576 22.647 14.682 1.00 1.00 C ATOM 1336 O GLU A 82 -3.430 21.426 14.793 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.971 23.479 14.320 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.360 22.195 13.543 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.563 22.412 12.630 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -8.606 22.960 12.940 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -7.373 21.906 11.373 1.00 1.00 O ATOM 0 H GLU A 82 -5.006 25.292 15.785 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.148 22.513 16.055 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.847 23.852 14.851 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.677 24.250 13.608 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.510 21.862 12.947 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.584 21.398 14.252 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.611 23.359 14.075 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.348 22.767 13.628 1.00 1.00 C ATOM 1351 C PRO A 83 -0.525 22.146 14.739 1.00 1.00 C ATOM 1352 O PRO A 83 0.276 21.254 14.466 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.601 23.934 12.967 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.726 24.807 12.415 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.801 24.695 13.496 1.00 1.00 C ATOM 0 HA PRO A 83 -1.533 21.930 12.954 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.013 24.477 13.686 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.065 23.589 12.176 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -1.404 25.838 12.270 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -2.083 24.446 11.451 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.686 25.473 14.250 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.800 24.805 13.074 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.683 22.619 15.991 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.048 22.052 17.178 1.00 1.00 C ATOM 1365 C GLY A 84 -0.870 20.993 17.865 1.00 1.00 C ATOM 1366 O GLY A 84 -0.463 20.452 18.889 1.00 1.00 O ATOM 0 H GLY A 84 -1.271 23.425 16.201 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.913 21.624 16.894 1.00 1.00 H new ATOM 0 HA3 GLY A 84 0.157 22.855 17.886 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.071 20.688 17.337 1.00 1.00 N ATOM 1371 CA GLY A 85 -2.989 19.684 17.863 1.00 1.00 C ATOM 1372 C GLY A 85 -3.613 19.957 19.206 1.00 1.00 C ATOM 1373 O GLY A 85 -3.939 19.027 19.937 1.00 1.00 O ATOM 0 H GLY A 85 -2.432 21.155 16.505 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -3.792 19.549 17.139 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.453 18.737 17.926 1.00 1.00 H new ATOM 1377 N HIS A 86 -3.792 21.238 19.583 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.327 21.591 20.894 1.00 1.00 C ATOM 1379 C HIS A 86 -5.473 22.594 20.836 1.00 1.00 C ATOM 1380 O HIS A 86 -5.859 23.166 21.850 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.208 22.102 21.833 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.174 21.041 22.113 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -0.891 20.921 21.688 1.00 1.00 N flip ATOM 1384 CD2 HIS A 86 -2.448 19.922 22.850 1.00 1.00 C flip ATOM 1385 CE1 HIS A 86 -0.419 19.736 22.182 1.00 1.00 C flip ATOM 1386 NE2 HIS A 86 -1.375 19.147 22.877 1.00 1.00 N flip ATOM 0 H HIS A 86 -3.571 22.039 18.991 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.744 20.670 21.301 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.725 22.969 21.382 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.648 22.436 22.773 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -3.389 19.705 23.333 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.576 19.345 22.028 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -1.300 18.248 23.353 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.106 22.775 19.660 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.343 23.506 19.441 1.00 1.00 C ATOM 1397 C ASP A 87 -8.520 23.033 20.297 1.00 1.00 C ATOM 1398 O ASP A 87 -9.304 23.815 20.833 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.717 23.358 17.933 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.845 21.913 17.472 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.844 21.156 17.515 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -8.968 21.500 17.082 1.00 1.00 O ATOM 0 H ASP A 87 -5.734 22.386 18.793 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.163 24.541 19.733 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.660 23.873 17.750 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -6.959 23.857 17.329 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.626 21.704 20.445 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.734 20.980 21.022 1.00 1.00 C ATOM 1409 C ARG A 88 -9.863 21.127 22.531 1.00 1.00 C ATOM 1410 O ARG A 88 -10.917 20.858 23.099 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.605 19.497 20.601 1.00 1.00 C ATOM 1412 CG ARG A 88 -8.288 18.818 21.038 1.00 1.00 C ATOM 1413 CD ARG A 88 -7.760 17.751 20.068 1.00 1.00 C ATOM 1414 NE ARG A 88 -7.310 18.465 18.826 1.00 1.00 N ATOM 1415 CZ ARG A 88 -6.500 17.933 17.900 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -5.950 16.737 18.028 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -6.216 18.676 16.830 1.00 1.00 N ATOM 0 H ARG A 88 -7.881 21.078 20.139 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.657 21.414 20.637 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.443 18.940 21.020 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.690 19.432 19.516 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -7.524 19.585 21.162 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.440 18.358 22.014 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -6.933 17.199 20.516 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -8.538 17.025 19.834 1.00 1.00 H new ATOM 0 HE ARG A 88 -7.643 19.418 18.677 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -6.136 16.176 18.860 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -5.340 16.375 17.295 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -6.611 19.612 16.740 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -5.603 18.308 16.102 1.00 1.00 H new ATOM 1431 N MET A 89 -8.819 21.630 23.225 1.00 1.00 N ATOM 1432 CA MET A 89 -8.900 22.023 24.618 1.00 1.00 C ATOM 1433 C MET A 89 -9.894 23.156 24.853 1.00 1.00 C ATOM 1434 O MET A 89 -10.560 23.211 25.883 1.00 1.00 O ATOM 1435 CB MET A 89 -7.521 22.480 25.141 1.00 1.00 C ATOM 1436 CG MET A 89 -6.389 21.456 24.919 1.00 1.00 C ATOM 1437 SD MET A 89 -4.747 22.037 25.440 1.00 1.00 S ATOM 1438 CE MET A 89 -5.139 22.052 27.207 1.00 1.00 C ATOM 0 H MET A 89 -7.895 21.769 22.816 1.00 1.00 H new ATOM 0 HA MET A 89 -9.242 21.139 25.157 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.251 23.415 24.651 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.601 22.691 26.207 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.629 20.543 25.463 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.351 21.196 23.861 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.218 22.139 27.783 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.787 22.900 27.429 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.649 21.126 27.475 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.010 24.096 23.889 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.989 25.172 23.914 1.00 1.00 C ATOM 1450 C VAL A 90 -12.381 24.639 23.577 1.00 1.00 C ATOM 1451 O VAL A 90 -12.706 24.348 22.421 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.630 26.305 22.948 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.596 27.494 23.132 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -9.181 26.778 23.186 1.00 1.00 C ATOM 0 H VAL A 90 -9.410 24.117 23.064 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.985 25.578 24.926 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.719 25.925 21.930 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.328 28.291 22.439 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.617 27.168 22.933 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.527 27.864 24.155 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.942 27.583 22.491 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.080 27.140 24.209 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.496 25.946 23.026 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.250 24.522 24.592 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.553 23.891 24.533 1.00 1.00 C ATOM 1466 C GLN A 91 -15.658 24.915 24.735 1.00 1.00 C ATOM 1467 O GLN A 91 -15.460 25.985 25.313 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.658 22.797 25.626 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.811 21.534 25.330 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.440 20.712 24.206 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -15.623 20.364 24.281 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -13.673 20.389 23.147 1.00 1.00 N ATOM 0 H GLN A 91 -13.040 24.888 25.520 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.670 23.439 23.548 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.343 23.219 26.580 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.702 22.505 25.736 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -12.799 21.826 25.051 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.730 20.925 26.231 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -12.699 20.690 23.112 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -14.066 19.843 22.380 1.00 1.00 H new ATOM 1481 N THR A 92 -16.867 24.608 24.230 1.00 1.00 N ATOM 1482 CA THR A 92 -17.969 25.560 24.133 1.00 1.00 C ATOM 1483 C THR A 92 -19.155 25.106 24.950 1.00 1.00 C ATOM 1484 O THR A 92 -19.584 23.952 24.885 1.00 1.00 O ATOM 1485 CB THR A 92 -18.415 25.776 22.692 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.359 26.387 21.964 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.615 26.724 22.572 1.00 1.00 C ATOM 0 H THR A 92 -17.100 23.680 23.876 1.00 1.00 H new ATOM 0 HA THR A 92 -17.593 26.504 24.527 1.00 1.00 H new ATOM 0 HB THR A 92 -18.690 24.794 22.307 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.178 27.276 22.335 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.885 26.838 21.522 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.461 26.312 23.122 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.353 27.697 22.987 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.716 26.038 25.746 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.890 25.830 26.574 1.00 1.00 C ATOM 1497 C VAL A 93 -21.996 26.763 26.091 1.00 1.00 C ATOM 1498 O VAL A 93 -21.910 27.988 26.209 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.572 26.125 28.039 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.826 25.953 28.914 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.458 25.174 28.524 1.00 1.00 C ATOM 0 H VAL A 93 -19.341 26.984 25.823 1.00 1.00 H new ATOM 0 HA VAL A 93 -21.210 24.791 26.495 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.234 27.158 28.124 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.577 26.168 29.953 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.602 26.641 28.577 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -22.189 24.928 28.832 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.230 25.384 29.569 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.793 24.141 28.426 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.563 25.324 27.920 1.00 1.00 H new ATOM 1511 N ARG A 94 -23.085 26.201 25.524 1.00 1.00 N ATOM 1512 CA ARG A 94 -24.186 26.950 24.931 1.00 1.00 C ATOM 1513 C ARG A 94 -24.895 27.871 25.919 1.00 1.00 C ATOM 1514 O ARG A 94 -25.413 27.441 26.946 1.00 1.00 O ATOM 1515 CB ARG A 94 -25.240 25.987 24.322 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.495 26.674 23.735 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.432 25.718 22.980 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.713 26.441 22.696 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.883 27.362 21.739 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -27.923 27.676 20.878 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -30.016 28.053 21.672 1.00 1.00 N ATOM 0 H ARG A 94 -23.215 25.191 25.471 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.732 27.570 24.158 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.763 25.402 23.535 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.557 25.285 25.093 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -27.050 27.147 24.545 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -26.180 27.468 23.058 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.968 25.388 22.050 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.624 24.825 23.575 1.00 1.00 H new ATOM 0 HE ARG A 94 -29.519 26.214 23.278 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -27.017 27.210 20.932 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -28.091 28.383 20.163 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -30.758 27.882 22.350 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -30.143 28.754 20.942 1.00 1.00 H new ATOM 1535 N GLY A 95 -24.922 29.187 25.633 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.674 30.193 26.374 1.00 1.00 C ATOM 1537 C GLY A 95 -25.001 30.683 27.626 1.00 1.00 C ATOM 1538 O GLY A 95 -25.480 31.617 28.266 1.00 1.00 O ATOM 0 H GLY A 95 -24.400 29.583 24.851 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -25.858 31.045 25.719 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.647 29.778 26.639 1.00 1.00 H new ATOM 1542 N THR A 96 -23.835 30.121 27.988 1.00 1.00 N ATOM 1543 CA THR A 96 -23.125 30.516 29.207 1.00 1.00 C ATOM 1544 C THR A 96 -21.694 30.898 28.888 1.00 1.00 C ATOM 1545 O THR A 96 -21.166 31.830 29.489 1.00 1.00 O ATOM 1546 CB THR A 96 -23.157 29.446 30.309 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.489 29.249 30.787 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.340 29.863 31.543 1.00 1.00 C ATOM 0 H THR A 96 -23.367 29.391 27.450 1.00 1.00 H new ATOM 0 HA THR A 96 -23.657 31.382 29.601 1.00 1.00 H new ATOM 0 HB THR A 96 -22.745 28.546 29.854 1.00 1.00 H new ATOM 0 HG1 THR A 96 -24.487 28.563 31.487 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.391 29.077 32.296 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.301 30.022 31.255 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.748 30.786 31.954 1.00 1.00 H new ATOM 1556 N GLY A 97 -21.016 30.270 27.897 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.672 30.729 27.544 1.00 1.00 C ATOM 1558 C GLY A 97 -18.750 29.648 27.067 1.00 1.00 C ATOM 1559 O GLY A 97 -19.120 28.793 26.264 1.00 1.00 O ATOM 0 H GLY A 97 -21.367 29.480 27.355 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.754 31.488 26.766 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.226 31.211 28.414 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.492 29.679 27.535 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.446 28.802 27.048 1.00 1.00 C ATOM 1565 C TYR A 98 -15.675 28.200 28.217 1.00 1.00 C ATOM 1566 O TYR A 98 -15.737 28.676 29.351 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.446 29.552 26.124 1.00 1.00 C ATOM 1568 CG TYR A 98 -16.109 30.142 24.901 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.607 29.306 23.887 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.190 31.536 24.726 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -17.132 29.854 22.708 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.690 32.078 23.530 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.132 31.229 22.508 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.624 31.735 21.285 1.00 1.00 O ATOM 0 H TYR A 98 -17.183 30.321 28.265 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.931 28.015 26.470 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.963 30.349 26.690 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.662 28.863 25.810 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.585 28.234 24.017 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.865 32.195 25.518 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.540 29.202 21.949 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.733 33.149 23.399 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.126 31.034 20.819 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.931 27.109 27.952 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.211 26.333 28.944 1.00 1.00 C ATOM 1586 C ARG A 99 -12.908 25.873 28.312 1.00 1.00 C ATOM 1587 O ARG A 99 -12.865 25.553 27.127 1.00 1.00 O ATOM 1588 CB ARG A 99 -15.068 25.100 29.352 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.417 24.049 30.285 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.394 22.917 30.646 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.680 21.887 31.474 1.00 1.00 N ATOM 1592 CZ ARG A 99 -15.306 21.039 32.304 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -16.620 21.013 32.471 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -14.563 20.173 32.984 1.00 1.00 N ATOM 0 H ARG A 99 -14.820 26.743 27.006 1.00 1.00 H new ATOM 0 HA ARG A 99 -14.010 26.929 29.834 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.972 25.466 29.838 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.380 24.591 28.440 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.537 23.628 29.799 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.074 24.537 31.197 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.244 23.318 31.198 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.790 22.460 29.739 1.00 1.00 H new ATOM 0 HE ARG A 99 -13.664 21.829 31.401 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -17.213 21.662 31.953 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -17.039 20.344 33.117 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -13.550 20.167 32.866 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -15.006 19.514 33.624 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.801 25.831 29.072 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.524 25.344 28.590 1.00 1.00 C ATOM 1610 C PHE A 100 -10.217 24.070 29.351 1.00 1.00 C ATOM 1611 O PHE A 100 -10.260 24.046 30.577 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.438 26.416 28.843 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.123 26.088 28.196 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -8.013 26.020 26.797 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.968 25.938 28.978 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.767 25.822 26.188 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.721 25.746 28.372 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.618 25.687 26.978 1.00 1.00 C ATOM 0 H PHE A 100 -11.781 26.139 30.044 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.549 25.142 27.519 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.791 27.377 28.468 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.290 26.528 29.917 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.897 26.121 26.185 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.042 25.971 30.055 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.692 25.774 25.112 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.836 25.643 28.982 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.655 25.538 26.512 1.00 1.00 H new ATOM 1628 N SER A 101 -9.962 22.950 28.653 1.00 1.00 N ATOM 1629 CA SER A 101 -9.975 21.648 29.306 1.00 1.00 C ATOM 1630 C SER A 101 -8.705 20.856 29.088 1.00 1.00 C ATOM 1631 O SER A 101 -8.202 20.698 27.979 1.00 1.00 O ATOM 1632 CB SER A 101 -11.196 20.805 28.872 1.00 1.00 C ATOM 1633 OG SER A 101 -11.325 19.620 29.659 1.00 1.00 O ATOM 0 H SER A 101 -9.749 22.928 27.656 1.00 1.00 H new ATOM 0 HA SER A 101 -10.047 21.862 30.372 1.00 1.00 H new ATOM 0 HB2 SER A 101 -12.103 21.403 28.963 1.00 1.00 H new ATOM 0 HB3 SER A 101 -11.097 20.535 27.821 1.00 1.00 H new ATOM 0 HG SER A 101 -11.889 19.805 30.439 1.00 1.00 H new ATOM 1639 N THR A 102 -8.169 20.301 30.189 1.00 1.00 N ATOM 1640 CA THR A 102 -6.912 19.572 30.268 1.00 1.00 C ATOM 1641 C THR A 102 -7.110 18.075 30.109 1.00 1.00 C ATOM 1642 O THR A 102 -6.198 17.284 30.335 1.00 1.00 O ATOM 1643 CB THR A 102 -6.230 19.816 31.608 1.00 1.00 C ATOM 1644 OG1 THR A 102 -7.183 19.847 32.667 1.00 1.00 O ATOM 1645 CG2 THR A 102 -5.574 21.198 31.547 1.00 1.00 C ATOM 0 H THR A 102 -8.636 20.358 31.094 1.00 1.00 H new ATOM 0 HA THR A 102 -6.292 19.940 29.451 1.00 1.00 H new ATOM 0 HB THR A 102 -5.511 19.018 31.792 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.722 20.003 33.518 1.00 1.00 H new ATOM 0 HG21 THR A 102 -5.075 21.406 32.493 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.843 21.218 30.739 1.00 1.00 H new ATOM 0 HG23 THR A 102 -6.337 21.955 31.365 1.00 1.00 H new