USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 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 86 HIS : no HD1:sc=-0.00308 X(o=-0.059,f=-0.093) USER MOD Set 1.2: A 89 MET CE :methyl 162:sc= -0.0555 (180deg=-0.114) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Set 3.1: A 50 SER OG : rot 180:sc= 0.177 USER MOD Set 3.2: A 53 GLN : amide:sc= 0.708 K(o=0.89,f=-3!) USER MOD Set 4.1: A 44 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.5) USER MOD Set 4.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 42 MET CE :methyl -123:sc= 0 (180deg=-0.15) USER MOD Single : A 10 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 106:sc= 1.22 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.137 F(o=-0.73,f=0.14) USER MOD Single : A 22 MET CE :methyl -128:sc= 0 (180deg=-0.128) USER MOD Single : A 30 MET CE :methyl 165:sc= -0.0128 (180deg=-0.303) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0584) USER MOD Single : A 39 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 43 THR OG1 : rot -42:sc= 0.0936 USER MOD Single : A 56 ASN : amide:sc=-0.00758 K(o=-0.0076,f=-1.1) USER MOD Single : A 57 HIS : no HD1:sc= -0.077 X(o=-0.077,f=-0.041) 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) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0.839 K(o=0.84,f=-5.8!) USER MOD Single : A 92 THR OG1 : rot -64:sc= 1.3 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.0591 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00022 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.324 30.219 32.713 1.00 1.00 N ATOM 77 CA VAL A 6 6.703 29.355 31.718 1.00 1.00 C ATOM 78 C VAL A 6 5.595 28.476 32.307 1.00 1.00 C ATOM 79 O VAL A 6 5.735 27.915 33.399 1.00 1.00 O ATOM 80 CB VAL A 6 7.739 28.467 31.022 1.00 1.00 C ATOM 81 CG1 VAL A 6 7.162 27.848 29.732 1.00 1.00 C ATOM 82 CG2 VAL A 6 8.986 29.301 30.666 1.00 1.00 C ATOM 0 HA VAL A 6 6.250 30.024 30.986 1.00 1.00 H new ATOM 0 HB VAL A 6 8.009 27.663 31.707 1.00 1.00 H new ATOM 0 HG11 VAL A 6 7.919 27.223 29.258 1.00 1.00 H new ATOM 0 HG12 VAL A 6 6.291 27.240 29.978 1.00 1.00 H new ATOM 0 HG13 VAL A 6 6.868 28.643 29.047 1.00 1.00 H new ATOM 0 HG21 VAL A 6 9.720 28.665 30.171 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.701 30.114 29.998 1.00 1.00 H new ATOM 0 HG23 VAL A 6 9.419 29.714 31.577 1.00 1.00 H new ATOM 92 N ILE A 7 4.465 28.329 31.583 1.00 1.00 N ATOM 93 CA ILE A 7 3.357 27.467 31.958 1.00 1.00 C ATOM 94 C ILE A 7 3.324 26.331 30.952 1.00 1.00 C ATOM 95 O ILE A 7 3.164 26.549 29.751 1.00 1.00 O ATOM 96 CB ILE A 7 2.011 28.196 31.961 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.068 29.434 32.895 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.890 27.217 32.389 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.793 30.286 32.873 1.00 1.00 C ATOM 0 H ILE A 7 4.308 28.823 30.705 1.00 1.00 H new ATOM 0 HA ILE A 7 3.511 27.111 32.977 1.00 1.00 H new ATOM 0 HB ILE A 7 1.790 28.553 30.955 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.252 29.099 33.916 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.915 30.057 32.606 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.067 27.738 32.390 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.848 26.383 31.688 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.099 26.840 33.390 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.909 31.132 33.550 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.618 30.652 31.861 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.055 29.680 33.192 1.00 1.00 H new ATOM 111 N GLU A 8 3.518 25.081 31.418 1.00 1.00 N ATOM 112 CA GLU A 8 3.627 23.921 30.551 1.00 1.00 C ATOM 113 C GLU A 8 2.648 22.845 30.985 1.00 1.00 C ATOM 114 O GLU A 8 2.729 22.346 32.112 1.00 1.00 O ATOM 115 CB GLU A 8 5.050 23.306 30.605 1.00 1.00 C ATOM 116 CG GLU A 8 6.197 24.328 30.423 1.00 1.00 C ATOM 117 CD GLU A 8 7.550 23.666 30.558 1.00 1.00 C ATOM 118 OE1 GLU A 8 7.904 23.252 31.694 1.00 1.00 O ATOM 119 OE2 GLU A 8 8.286 23.560 29.543 1.00 1.00 O ATOM 0 H GLU A 8 3.602 24.861 32.411 1.00 1.00 H new ATOM 0 HA GLU A 8 3.409 24.259 29.538 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.178 22.802 31.563 1.00 1.00 H new ATOM 0 HB3 GLU A 8 5.133 22.544 29.830 1.00 1.00 H new ATOM 0 HG2 GLU A 8 6.116 24.798 29.443 1.00 1.00 H new ATOM 0 HG3 GLU A 8 6.102 25.120 31.165 1.00 1.00 H new ATOM 126 N MET A 9 1.705 22.453 30.103 1.00 1.00 N ATOM 127 CA MET A 9 0.833 21.327 30.383 1.00 1.00 C ATOM 128 C MET A 9 0.181 20.808 29.111 1.00 1.00 C ATOM 129 O MET A 9 -0.088 21.551 28.167 1.00 1.00 O ATOM 130 CB MET A 9 -0.252 21.634 31.454 1.00 1.00 C ATOM 131 CG MET A 9 -1.176 22.823 31.131 1.00 1.00 C ATOM 132 SD MET A 9 -2.229 23.295 32.535 1.00 1.00 S ATOM 133 CE MET A 9 -3.254 24.412 31.544 1.00 1.00 C ATOM 0 H MET A 9 1.540 22.904 29.203 1.00 1.00 H new ATOM 0 HA MET A 9 1.477 20.553 30.800 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.866 20.744 31.591 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.244 21.828 32.405 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.570 23.678 30.833 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.806 22.567 30.279 1.00 1.00 H new ATOM 0 HE1 MET A 9 -4.018 24.862 32.177 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.629 25.196 31.116 1.00 1.00 H new ATOM 0 HE3 MET A 9 -3.732 23.851 30.741 1.00 1.00 H new ATOM 143 N GLN A 10 -0.097 19.489 29.068 1.00 1.00 N ATOM 144 CA GLN A 10 -0.765 18.765 27.997 1.00 1.00 C ATOM 145 C GLN A 10 -0.212 18.991 26.596 1.00 1.00 C ATOM 146 O GLN A 10 -0.938 19.309 25.652 1.00 1.00 O ATOM 147 CB GLN A 10 -2.294 18.986 28.077 1.00 1.00 C ATOM 148 CG GLN A 10 -3.179 17.933 27.360 1.00 1.00 C ATOM 149 CD GLN A 10 -2.870 16.505 27.813 1.00 1.00 C ATOM 150 OE1 GLN A 10 -3.042 16.131 28.974 1.00 1.00 O ATOM 151 NE2 GLN A 10 -2.398 15.659 26.874 1.00 1.00 N ATOM 0 H GLN A 10 0.161 18.871 29.838 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.543 17.712 28.173 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.581 19.015 29.128 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.520 19.966 27.657 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -4.229 18.153 27.553 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.030 18.010 26.283 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -2.261 15.984 25.917 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -2.178 14.694 27.121 1.00 1.00 H new ATOM 160 N GLY A 11 1.122 18.865 26.445 1.00 1.00 N ATOM 161 CA GLY A 11 1.813 19.047 25.170 1.00 1.00 C ATOM 162 C GLY A 11 1.982 20.477 24.728 1.00 1.00 C ATOM 163 O GLY A 11 2.487 20.725 23.634 1.00 1.00 O ATOM 0 H GLY A 11 1.748 18.632 27.216 1.00 1.00 H new ATOM 0 HA2 GLY A 11 2.799 18.587 25.241 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.264 18.508 24.398 1.00 1.00 H new ATOM 167 N LEU A 12 1.547 21.445 25.559 1.00 1.00 N ATOM 168 CA LEU A 12 1.534 22.854 25.213 1.00 1.00 C ATOM 169 C LEU A 12 2.350 23.666 26.210 1.00 1.00 C ATOM 170 O LEU A 12 2.184 23.532 27.424 1.00 1.00 O ATOM 171 CB LEU A 12 0.062 23.341 25.224 1.00 1.00 C ATOM 172 CG LEU A 12 -0.218 24.720 24.599 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.045 24.734 23.087 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.674 25.133 24.870 1.00 1.00 C ATOM 0 H LEU A 12 1.194 21.254 26.497 1.00 1.00 H new ATOM 0 HA LEU A 12 1.977 22.990 24.227 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.544 22.602 24.701 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.282 23.361 26.258 1.00 1.00 H new ATOM 0 HG LEU A 12 0.465 25.431 25.063 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.166 25.727 22.690 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.088 24.481 22.897 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.600 24.004 22.599 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.864 26.110 24.425 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.348 24.397 24.432 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.843 25.186 25.946 1.00 1.00 H new ATOM 186 N SER A 13 3.266 24.536 25.730 1.00 1.00 N ATOM 187 CA SER A 13 4.102 25.363 26.594 1.00 1.00 C ATOM 188 C SER A 13 4.044 26.836 26.227 1.00 1.00 C ATOM 189 O SER A 13 4.274 27.251 25.091 1.00 1.00 O ATOM 190 CB SER A 13 5.585 24.904 26.664 1.00 1.00 C ATOM 191 OG SER A 13 6.245 24.919 25.397 1.00 1.00 O ATOM 0 H SER A 13 3.438 24.676 24.734 1.00 1.00 H new ATOM 0 HA SER A 13 3.670 25.228 27.586 1.00 1.00 H new ATOM 0 HB2 SER A 13 6.126 25.551 27.354 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.626 23.895 27.075 1.00 1.00 H new ATOM 0 HG SER A 13 7.172 24.622 25.508 1.00 1.00 H new ATOM 197 N LEU A 14 3.725 27.696 27.210 1.00 1.00 N ATOM 198 CA LEU A 14 3.537 29.119 27.012 1.00 1.00 C ATOM 199 C LEU A 14 4.454 29.897 27.935 1.00 1.00 C ATOM 200 O LEU A 14 4.454 29.699 29.147 1.00 1.00 O ATOM 201 CB LEU A 14 2.050 29.463 27.276 1.00 1.00 C ATOM 202 CG LEU A 14 1.595 30.919 27.034 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.100 30.934 26.701 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.815 31.848 28.233 1.00 1.00 C ATOM 0 H LEU A 14 3.591 27.402 28.178 1.00 1.00 H new ATOM 0 HA LEU A 14 3.789 29.395 25.988 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.439 28.813 26.650 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.826 29.210 28.312 1.00 1.00 H new ATOM 0 HG LEU A 14 2.207 31.291 26.213 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.224 31.960 26.530 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -0.079 30.342 25.803 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.462 30.510 27.533 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.470 32.852 27.984 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.255 31.474 29.090 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.876 31.880 28.479 1.00 1.00 H new ATOM 216 N ASP A 15 5.263 30.823 27.381 1.00 1.00 N ATOM 217 CA ASP A 15 6.148 31.674 28.149 1.00 1.00 C ATOM 218 C ASP A 15 5.623 33.104 28.030 1.00 1.00 C ATOM 219 O ASP A 15 5.741 33.689 26.946 1.00 1.00 O ATOM 220 CB ASP A 15 7.593 31.569 27.588 1.00 1.00 C ATOM 221 CG ASP A 15 8.587 32.421 28.355 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.268 32.890 29.473 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.703 32.656 27.819 1.00 1.00 O ATOM 0 H ASP A 15 5.309 30.990 26.376 1.00 1.00 H new ATOM 0 HA ASP A 15 6.175 31.371 29.196 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.915 30.528 27.619 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.594 31.872 26.541 1.00 1.00 H new ATOM 228 N PRO A 16 5.058 33.735 29.065 1.00 1.00 N ATOM 229 CA PRO A 16 4.633 35.127 28.998 1.00 1.00 C ATOM 230 C PRO A 16 5.814 36.068 28.879 1.00 1.00 C ATOM 231 O PRO A 16 5.671 37.122 28.267 1.00 1.00 O ATOM 232 CB PRO A 16 3.804 35.355 30.276 1.00 1.00 C ATOM 233 CG PRO A 16 3.511 33.955 30.830 1.00 1.00 C ATOM 234 CD PRO A 16 4.689 33.116 30.341 1.00 1.00 C ATOM 0 HA PRO A 16 4.038 35.335 28.109 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.355 35.956 30.999 1.00 1.00 H new ATOM 0 HB3 PRO A 16 2.881 35.891 30.055 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.448 33.960 31.918 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.562 33.568 30.458 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.517 33.138 31.050 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.408 32.071 30.211 1.00 1.00 H new ATOM 242 N THR A 17 6.990 35.704 29.435 1.00 1.00 N ATOM 243 CA THR A 17 8.205 36.518 29.437 1.00 1.00 C ATOM 244 C THR A 17 8.725 36.770 28.035 1.00 1.00 C ATOM 245 O THR A 17 9.136 37.878 27.690 1.00 1.00 O ATOM 246 CB THR A 17 9.333 35.884 30.250 1.00 1.00 C ATOM 247 OG1 THR A 17 8.872 35.504 31.540 1.00 1.00 O ATOM 248 CG2 THR A 17 10.489 36.867 30.476 1.00 1.00 C ATOM 0 H THR A 17 7.114 34.808 29.906 1.00 1.00 H new ATOM 0 HA THR A 17 7.912 37.461 29.898 1.00 1.00 H new ATOM 0 HB THR A 17 9.671 35.020 29.677 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.608 35.099 32.044 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.272 36.380 31.058 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.894 37.180 29.514 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.124 37.740 31.018 1.00 1.00 H new ATOM 256 N SER A 18 8.694 35.737 27.165 1.00 1.00 N ATOM 257 CA SER A 18 9.156 35.860 25.782 1.00 1.00 C ATOM 258 C SER A 18 8.018 36.015 24.793 1.00 1.00 C ATOM 259 O SER A 18 8.255 36.177 23.600 1.00 1.00 O ATOM 260 CB SER A 18 9.955 34.621 25.298 1.00 1.00 C ATOM 261 OG SER A 18 11.017 34.309 26.200 1.00 1.00 O ATOM 0 H SER A 18 8.350 34.808 27.407 1.00 1.00 H new ATOM 0 HA SER A 18 9.785 36.750 25.804 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.286 33.765 25.209 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.362 34.812 24.305 1.00 1.00 H new ATOM 0 HG SER A 18 10.781 33.513 26.721 1.00 1.00 H new ATOM 267 N HIS A 19 6.747 35.965 25.252 1.00 1.00 N ATOM 268 CA HIS A 19 5.544 36.062 24.424 1.00 1.00 C ATOM 269 C HIS A 19 5.396 34.947 23.393 1.00 1.00 C ATOM 270 O HIS A 19 4.971 35.180 22.259 1.00 1.00 O ATOM 271 CB HIS A 19 5.382 37.434 23.717 1.00 1.00 C ATOM 272 CG HIS A 19 5.525 38.610 24.638 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.148 38.770 25.925 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 6.020 39.811 24.218 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 5.438 40.064 26.261 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 5.972 40.674 25.218 1.00 1.00 N flip ATOM 0 H HIS A 19 6.534 35.852 26.243 1.00 1.00 H new ATOM 0 HA HIS A 19 4.743 35.950 25.154 1.00 1.00 H new ATOM 0 HB2 HIS A 19 6.125 37.513 22.923 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.402 37.474 23.241 1.00 1.00 H new ATOM 0 HD1 HIS A 19 4.729 38.063 26.529 1.00 1.00 H new ATOM 0 HD2 HIS A 19 6.392 40.022 23.226 1.00 1.00 H new ATOM 0 HE1 HIS A 19 5.259 40.515 27.226 1.00 1.00 H new ATOM 285 N ARG A 20 5.760 33.704 23.767 1.00 1.00 N ATOM 286 CA ARG A 20 5.846 32.590 22.852 1.00 1.00 C ATOM 287 C ARG A 20 4.995 31.410 23.291 1.00 1.00 C ATOM 288 O ARG A 20 5.042 30.988 24.449 1.00 1.00 O ATOM 289 CB ARG A 20 7.319 32.142 22.796 1.00 1.00 C ATOM 290 CG ARG A 20 7.681 31.349 21.534 1.00 1.00 C ATOM 291 CD ARG A 20 9.140 30.892 21.558 1.00 1.00 C ATOM 292 NE ARG A 20 9.545 30.709 20.129 1.00 1.00 N ATOM 293 CZ ARG A 20 10.584 29.980 19.704 1.00 1.00 C ATOM 294 NH1 ARG A 20 11.249 29.154 20.497 1.00 1.00 N ATOM 295 NH2 ARG A 20 10.977 30.097 18.435 1.00 1.00 N ATOM 0 H ARG A 20 6.002 33.461 24.728 1.00 1.00 H new ATOM 0 HA ARG A 20 5.477 32.915 21.879 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.959 33.023 22.856 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.536 31.531 23.672 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.028 30.480 21.449 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.507 31.966 20.653 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.771 31.632 22.050 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.247 29.961 22.115 1.00 1.00 H new ATOM 0 HE ARG A 20 8.982 31.179 19.420 1.00 1.00 H new ATOM 0 HH11 ARG A 20 10.975 29.054 21.474 1.00 1.00 H new ATOM 0 HH12 ARG A 20 12.035 28.617 20.130 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.488 30.734 17.806 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.767 29.550 18.093 1.00 1.00 H new ATOM 309 N VAL A 21 4.220 30.819 22.363 1.00 1.00 N ATOM 310 CA VAL A 21 3.479 29.587 22.588 1.00 1.00 C ATOM 311 C VAL A 21 4.107 28.523 21.713 1.00 1.00 C ATOM 312 O VAL A 21 4.323 28.731 20.519 1.00 1.00 O ATOM 313 CB VAL A 21 2.002 29.668 22.206 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.257 28.405 22.686 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.373 30.916 22.838 1.00 1.00 C ATOM 0 H VAL A 21 4.096 31.199 21.424 1.00 1.00 H new ATOM 0 HA VAL A 21 3.525 29.373 23.656 1.00 1.00 H new ATOM 0 HB VAL A 21 1.920 29.733 21.121 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.205 28.475 22.408 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.698 27.524 22.220 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.341 28.323 23.770 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.320 30.971 22.564 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.463 30.859 23.923 1.00 1.00 H new ATOM 0 HG23 VAL A 21 1.889 31.806 22.477 1.00 1.00 H new ATOM 325 N MET A 22 4.425 27.351 22.281 1.00 1.00 N ATOM 326 CA MET A 22 4.927 26.224 21.533 1.00 1.00 C ATOM 327 C MET A 22 4.051 25.025 21.796 1.00 1.00 C ATOM 328 O MET A 22 3.520 24.848 22.891 1.00 1.00 O ATOM 329 CB MET A 22 6.379 25.854 21.914 1.00 1.00 C ATOM 330 CG MET A 22 7.379 27.012 21.764 1.00 1.00 C ATOM 331 SD MET A 22 9.081 26.516 22.134 1.00 1.00 S ATOM 332 CE MET A 22 9.425 25.731 20.537 1.00 1.00 C ATOM 0 H MET A 22 4.335 27.172 23.281 1.00 1.00 H new ATOM 0 HA MET A 22 4.915 26.508 20.481 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.395 25.505 22.946 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.706 25.022 21.291 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.331 27.399 20.746 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.089 27.826 22.429 1.00 1.00 H new ATOM 0 HE1 MET A 22 9.810 24.724 20.702 1.00 1.00 H new ATOM 0 HE2 MET A 22 8.506 25.677 19.953 1.00 1.00 H new ATOM 0 HE3 MET A 22 10.166 26.318 19.995 1.00 1.00 H new ATOM 342 N ALA A 23 3.889 24.163 20.783 1.00 1.00 N ATOM 343 CA ALA A 23 3.282 22.866 20.956 1.00 1.00 C ATOM 344 C ALA A 23 4.290 21.855 20.454 1.00 1.00 C ATOM 345 O ALA A 23 4.670 21.856 19.279 1.00 1.00 O ATOM 346 CB ALA A 23 1.952 22.763 20.190 1.00 1.00 C ATOM 0 H ALA A 23 4.180 24.359 19.825 1.00 1.00 H new ATOM 0 HA ALA A 23 3.037 22.685 22.003 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.521 21.773 20.341 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.260 23.521 20.558 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.131 22.922 19.127 1.00 1.00 H new ATOM 352 N GLY A 24 4.801 20.996 21.360 1.00 1.00 N ATOM 353 CA GLY A 24 5.986 20.185 21.096 1.00 1.00 C ATOM 354 C GLY A 24 7.229 21.025 20.909 1.00 1.00 C ATOM 355 O GLY A 24 7.539 21.906 21.714 1.00 1.00 O ATOM 0 H GLY A 24 4.400 20.853 22.287 1.00 1.00 H new ATOM 0 HA2 GLY A 24 6.140 19.492 21.923 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.820 19.583 20.203 1.00 1.00 H new ATOM 359 N GLU A 25 7.976 20.778 19.818 1.00 1.00 N ATOM 360 CA GLU A 25 9.175 21.534 19.491 1.00 1.00 C ATOM 361 C GLU A 25 8.896 22.640 18.481 1.00 1.00 C ATOM 362 O GLU A 25 9.812 23.270 17.943 1.00 1.00 O ATOM 363 CB GLU A 25 10.305 20.619 18.953 1.00 1.00 C ATOM 364 CG GLU A 25 9.997 19.869 17.634 1.00 1.00 C ATOM 365 CD GLU A 25 11.251 19.247 17.055 1.00 1.00 C ATOM 366 OE1 GLU A 25 12.150 20.013 16.606 1.00 1.00 O ATOM 367 OE2 GLU A 25 11.364 17.993 17.017 1.00 1.00 O ATOM 0 H GLU A 25 7.756 20.045 19.144 1.00 1.00 H new ATOM 0 HA GLU A 25 9.506 21.990 20.424 1.00 1.00 H new ATOM 0 HB2 GLU A 25 11.198 21.226 18.803 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.546 19.882 19.720 1.00 1.00 H new ATOM 0 HG2 GLU A 25 9.254 19.093 17.818 1.00 1.00 H new ATOM 0 HG3 GLU A 25 9.563 20.560 16.912 1.00 1.00 H new ATOM 374 N GLU A 26 7.609 22.913 18.202 1.00 1.00 N ATOM 375 CA GLU A 26 7.190 23.812 17.151 1.00 1.00 C ATOM 376 C GLU A 26 6.530 25.068 17.727 1.00 1.00 C ATOM 377 O GLU A 26 5.551 24.948 18.471 1.00 1.00 O ATOM 378 CB GLU A 26 6.186 23.073 16.238 1.00 1.00 C ATOM 379 CG GLU A 26 5.880 23.813 14.919 1.00 1.00 C ATOM 380 CD GLU A 26 4.928 23.027 14.041 1.00 1.00 C ATOM 381 OE1 GLU A 26 5.196 21.833 13.737 1.00 1.00 O ATOM 382 OE2 GLU A 26 3.898 23.617 13.613 1.00 1.00 O ATOM 0 H GLU A 26 6.831 22.501 18.717 1.00 1.00 H new ATOM 0 HA GLU A 26 8.067 24.123 16.583 1.00 1.00 H new ATOM 0 HB2 GLU A 26 6.581 22.084 16.005 1.00 1.00 H new ATOM 0 HB3 GLU A 26 5.255 22.924 16.784 1.00 1.00 H new ATOM 0 HG2 GLU A 26 5.448 24.789 15.141 1.00 1.00 H new ATOM 0 HG3 GLU A 26 6.809 23.992 14.378 1.00 1.00 H new ATOM 389 N PRO A 27 6.991 26.292 17.455 1.00 1.00 N ATOM 390 CA PRO A 27 6.326 27.506 17.914 1.00 1.00 C ATOM 391 C PRO A 27 5.069 27.795 17.110 1.00 1.00 C ATOM 392 O PRO A 27 5.012 27.491 15.917 1.00 1.00 O ATOM 393 CB PRO A 27 7.393 28.596 17.734 1.00 1.00 C ATOM 394 CG PRO A 27 8.245 28.106 16.561 1.00 1.00 C ATOM 395 CD PRO A 27 8.235 26.587 16.734 1.00 1.00 C ATOM 0 HA PRO A 27 5.979 27.434 18.945 1.00 1.00 H new ATOM 0 HB2 PRO A 27 6.940 29.564 17.519 1.00 1.00 H new ATOM 0 HB3 PRO A 27 7.992 28.718 18.636 1.00 1.00 H new ATOM 0 HG2 PRO A 27 7.821 28.405 15.602 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.257 28.509 16.602 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.261 26.080 15.769 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.106 26.249 17.295 1.00 1.00 H new ATOM 403 N LEU A 28 4.032 28.357 17.751 1.00 1.00 N ATOM 404 CA LEU A 28 2.758 28.662 17.125 1.00 1.00 C ATOM 405 C LEU A 28 2.634 30.141 16.836 1.00 1.00 C ATOM 406 O LEU A 28 3.315 30.973 17.435 1.00 1.00 O ATOM 407 CB LEU A 28 1.564 28.256 18.022 1.00 1.00 C ATOM 408 CG LEU A 28 1.618 26.801 18.517 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.387 26.491 19.375 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.724 25.792 17.369 1.00 1.00 C ATOM 0 H LEU A 28 4.067 28.613 18.738 1.00 1.00 H new ATOM 0 HA LEU A 28 2.731 28.090 16.198 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.529 28.921 18.885 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.638 28.405 17.466 1.00 1.00 H new ATOM 0 HG LEU A 28 2.522 26.701 19.118 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.435 25.458 19.720 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.365 27.161 20.235 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.516 26.633 18.781 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.759 24.781 17.775 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.857 25.891 16.716 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.632 25.985 16.798 1.00 1.00 H new ATOM 422 N GLU A 29 1.734 30.503 15.907 1.00 1.00 N ATOM 423 CA GLU A 29 1.546 31.878 15.483 1.00 1.00 C ATOM 424 C GLU A 29 0.126 32.337 15.774 1.00 1.00 C ATOM 425 O GLU A 29 -0.855 31.700 15.388 1.00 1.00 O ATOM 426 CB GLU A 29 1.867 32.013 13.973 1.00 1.00 C ATOM 427 CG GLU A 29 1.753 33.442 13.384 1.00 1.00 C ATOM 428 CD GLU A 29 2.620 34.459 14.096 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.846 34.226 14.279 1.00 1.00 O ATOM 430 OE2 GLU A 29 2.096 35.537 14.482 1.00 1.00 O ATOM 0 H GLU A 29 1.120 29.839 15.434 1.00 1.00 H new ATOM 0 HA GLU A 29 2.229 32.516 16.044 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.881 31.650 13.803 1.00 1.00 H new ATOM 0 HB3 GLU A 29 1.196 31.357 13.418 1.00 1.00 H new ATOM 0 HG2 GLU A 29 2.029 33.415 12.330 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.713 33.765 13.433 1.00 1.00 H new ATOM 437 N MET A 30 -0.008 33.466 16.493 1.00 1.00 N ATOM 438 CA MET A 30 -1.276 34.048 16.873 1.00 1.00 C ATOM 439 C MET A 30 -1.019 35.509 17.198 1.00 1.00 C ATOM 440 O MET A 30 0.138 35.936 17.223 1.00 1.00 O ATOM 441 CB MET A 30 -1.924 33.313 18.077 1.00 1.00 C ATOM 442 CG MET A 30 -1.108 33.360 19.388 1.00 1.00 C ATOM 443 SD MET A 30 -1.804 32.354 20.738 1.00 1.00 S ATOM 444 CE MET A 30 -1.306 30.736 20.078 1.00 1.00 C ATOM 0 H MET A 30 0.793 34.001 16.827 1.00 1.00 H new ATOM 0 HA MET A 30 -1.986 33.951 16.052 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.906 33.748 18.263 1.00 1.00 H new ATOM 0 HB3 MET A 30 -2.083 32.270 17.803 1.00 1.00 H new ATOM 0 HG2 MET A 30 -0.093 33.020 19.183 1.00 1.00 H new ATOM 0 HG3 MET A 30 -1.036 34.395 19.721 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.390 29.982 20.861 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.955 30.468 19.245 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.274 30.786 19.732 1.00 1.00 H new ATOM 454 N GLY A 31 -2.066 36.336 17.415 1.00 1.00 N ATOM 455 CA GLY A 31 -1.878 37.725 17.815 1.00 1.00 C ATOM 456 C GLY A 31 -1.769 37.904 19.319 1.00 1.00 C ATOM 457 O GLY A 31 -2.024 36.968 20.081 1.00 1.00 O ATOM 0 H GLY A 31 -3.042 36.055 17.317 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.976 38.114 17.343 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.713 38.319 17.444 1.00 1.00 H new ATOM 461 N PRO A 32 -1.456 39.103 19.802 1.00 1.00 N ATOM 462 CA PRO A 32 -1.295 39.377 21.231 1.00 1.00 C ATOM 463 C PRO A 32 -2.557 39.177 22.059 1.00 1.00 C ATOM 464 O PRO A 32 -2.473 38.693 23.186 1.00 1.00 O ATOM 465 CB PRO A 32 -0.809 40.834 21.288 1.00 1.00 C ATOM 466 CG PRO A 32 -0.125 41.068 19.936 1.00 1.00 C ATOM 467 CD PRO A 32 -0.903 40.177 18.974 1.00 1.00 C ATOM 0 HA PRO A 32 -0.595 38.669 21.675 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -1.640 41.523 21.436 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -0.116 40.988 22.115 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -0.174 42.116 19.639 1.00 1.00 H new ATOM 0 HG3 PRO A 32 0.930 40.795 19.969 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.695 40.735 18.474 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.253 39.778 18.195 1.00 1.00 H new ATOM 475 N THR A 33 -3.746 39.535 21.536 1.00 1.00 N ATOM 476 CA THR A 33 -5.034 39.317 22.203 1.00 1.00 C ATOM 477 C THR A 33 -5.342 37.841 22.366 1.00 1.00 C ATOM 478 O THR A 33 -5.779 37.396 23.428 1.00 1.00 O ATOM 479 CB THR A 33 -6.205 40.009 21.508 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.947 41.400 21.406 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.509 39.869 22.310 1.00 1.00 C ATOM 0 H THR A 33 -3.834 39.989 20.627 1.00 1.00 H new ATOM 0 HA THR A 33 -4.922 39.773 23.187 1.00 1.00 H new ATOM 0 HB THR A 33 -6.313 39.538 20.531 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.699 41.840 20.958 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.317 40.375 21.782 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.755 38.813 22.424 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.381 40.320 23.294 1.00 1.00 H new ATOM 489 N GLU A 34 -5.064 37.015 21.332 1.00 1.00 N ATOM 490 CA GLU A 34 -5.139 35.565 21.432 1.00 1.00 C ATOM 491 C GLU A 34 -4.148 34.993 22.446 1.00 1.00 C ATOM 492 O GLU A 34 -4.501 34.126 23.244 1.00 1.00 O ATOM 493 CB GLU A 34 -4.923 34.865 20.066 1.00 1.00 C ATOM 494 CG GLU A 34 -6.081 35.037 19.047 1.00 1.00 C ATOM 495 CD GLU A 34 -5.873 36.145 18.030 1.00 1.00 C ATOM 496 OE1 GLU A 34 -4.881 36.072 17.259 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.730 37.065 17.945 1.00 1.00 O ATOM 0 H GLU A 34 -4.783 37.349 20.410 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.152 35.359 21.778 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -4.006 35.250 19.619 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.769 33.800 20.241 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -6.221 34.096 18.515 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -7.002 35.234 19.595 1.00 1.00 H new ATOM 504 N PHE A 35 -2.898 35.503 22.474 1.00 1.00 N ATOM 505 CA PHE A 35 -1.882 35.130 23.448 1.00 1.00 C ATOM 506 C PHE A 35 -2.304 35.419 24.892 1.00 1.00 C ATOM 507 O PHE A 35 -2.210 34.565 25.773 1.00 1.00 O ATOM 508 CB PHE A 35 -0.560 35.890 23.111 1.00 1.00 C ATOM 509 CG PHE A 35 0.574 35.472 24.005 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.294 34.310 23.710 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.872 36.182 25.183 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.263 33.829 24.598 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.836 35.702 26.079 1.00 1.00 C ATOM 514 CZ PHE A 35 2.521 34.516 25.787 1.00 1.00 C ATOM 0 H PHE A 35 -2.573 36.198 21.802 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.735 34.052 23.381 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.290 35.704 22.072 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.723 36.963 23.210 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.101 33.779 22.789 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.353 37.105 25.398 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.811 32.928 24.364 1.00 1.00 H new ATOM 0 HE2 PHE A 35 2.049 36.243 26.989 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.251 34.131 26.483 1.00 1.00 H new ATOM 524 N LYS A 36 -2.828 36.629 25.159 1.00 1.00 N ATOM 525 CA LYS A 36 -3.307 37.041 26.466 1.00 1.00 C ATOM 526 C LYS A 36 -4.498 36.224 26.951 1.00 1.00 C ATOM 527 O LYS A 36 -4.567 35.799 28.105 1.00 1.00 O ATOM 528 CB LYS A 36 -3.653 38.544 26.421 1.00 1.00 C ATOM 529 CG LYS A 36 -3.828 39.212 27.795 1.00 1.00 C ATOM 530 CD LYS A 36 -4.081 40.717 27.612 1.00 1.00 C ATOM 531 CE LYS A 36 -4.159 41.569 28.884 1.00 1.00 C ATOM 532 NZ LYS A 36 -2.886 41.496 29.612 1.00 1.00 N ATOM 0 H LYS A 36 -2.927 37.354 24.448 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.510 36.859 27.187 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.866 39.067 25.877 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.573 38.673 25.851 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -4.662 38.756 28.328 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.937 39.055 28.403 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.288 41.120 26.983 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -5.015 40.839 27.064 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.382 42.604 28.626 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -4.972 41.217 29.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -2.902 42.166 30.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -2.748 40.531 29.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.105 41.739 28.970 1.00 1.00 H new ATOM 546 N LEU A 37 -5.452 35.930 26.043 1.00 1.00 N ATOM 547 CA LEU A 37 -6.572 35.043 26.299 1.00 1.00 C ATOM 548 C LEU A 37 -6.143 33.615 26.623 1.00 1.00 C ATOM 549 O LEU A 37 -6.619 33.000 27.577 1.00 1.00 O ATOM 550 CB LEU A 37 -7.510 35.065 25.067 1.00 1.00 C ATOM 551 CG LEU A 37 -8.816 34.251 25.187 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.629 34.629 26.435 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.667 34.437 23.921 1.00 1.00 C ATOM 0 H LEU A 37 -5.452 36.317 25.099 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.093 35.405 27.185 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.771 36.102 24.854 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.953 34.694 24.207 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.538 33.202 25.292 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.538 34.028 26.473 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.033 34.442 27.328 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -9.894 35.685 26.390 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.587 33.860 24.013 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.911 35.492 23.799 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.107 34.091 23.052 1.00 1.00 H new ATOM 565 N LEU A 38 -5.175 33.066 25.864 1.00 1.00 N ATOM 566 CA LEU A 38 -4.579 31.767 26.127 1.00 1.00 C ATOM 567 C LEU A 38 -3.824 31.709 27.449 1.00 1.00 C ATOM 568 O LEU A 38 -3.948 30.746 28.201 1.00 1.00 O ATOM 569 CB LEU A 38 -3.661 31.322 24.964 1.00 1.00 C ATOM 570 CG LEU A 38 -3.140 29.868 25.054 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.264 28.819 25.109 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.198 29.561 23.882 1.00 1.00 C ATOM 0 H LEU A 38 -4.788 33.529 25.042 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.413 31.069 26.207 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.206 31.438 24.027 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.805 31.995 24.920 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.596 29.799 25.996 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.828 27.822 25.171 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.886 28.998 25.986 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.875 28.893 24.209 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.841 28.534 23.961 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.734 29.687 22.941 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.349 30.243 23.910 1.00 1.00 H new ATOM 584 N HIS A 39 -3.061 32.766 27.807 1.00 1.00 N ATOM 585 CA HIS A 39 -2.402 32.891 29.103 1.00 1.00 C ATOM 586 C HIS A 39 -3.395 32.849 30.261 1.00 1.00 C ATOM 587 O HIS A 39 -3.203 32.118 31.234 1.00 1.00 O ATOM 588 CB HIS A 39 -1.586 34.214 29.167 1.00 1.00 C ATOM 589 CG HIS A 39 -0.796 34.461 30.427 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.257 35.720 30.636 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.475 33.638 31.460 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.384 35.633 31.792 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.276 34.397 32.331 1.00 1.00 N ATOM 0 H HIS A 39 -2.891 33.559 27.189 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.733 32.037 29.205 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -0.895 34.229 28.324 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.276 35.047 29.029 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.752 32.600 31.575 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.926 36.448 32.248 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.676 34.085 33.216 1.00 1.00 H new ATOM 601 N PHE A 40 -4.524 33.579 30.145 1.00 1.00 N ATOM 602 CA PHE A 40 -5.607 33.540 31.112 1.00 1.00 C ATOM 603 C PHE A 40 -6.243 32.151 31.241 1.00 1.00 C ATOM 604 O PHE A 40 -6.422 31.640 32.347 1.00 1.00 O ATOM 605 CB PHE A 40 -6.670 34.609 30.730 1.00 1.00 C ATOM 606 CG PHE A 40 -7.695 34.781 31.818 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.377 35.497 32.984 1.00 1.00 C ATOM 608 CD2 PHE A 40 -8.963 34.188 31.706 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.306 35.611 34.026 1.00 1.00 C ATOM 610 CE2 PHE A 40 -9.895 34.299 32.745 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.565 35.007 33.907 1.00 1.00 C ATOM 0 H PHE A 40 -4.697 34.213 29.365 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.189 33.767 32.093 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.177 35.562 30.539 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.166 34.316 29.805 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.408 35.964 33.078 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.221 33.642 30.811 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.053 36.163 34.919 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -10.868 33.839 32.650 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.281 35.088 34.712 1.00 1.00 H new ATOM 621 N PHE A 41 -6.547 31.474 30.114 1.00 1.00 N ATOM 622 CA PHE A 41 -7.029 30.100 30.118 1.00 1.00 C ATOM 623 C PHE A 41 -6.049 29.073 30.681 1.00 1.00 C ATOM 624 O PHE A 41 -6.434 28.198 31.451 1.00 1.00 O ATOM 625 CB PHE A 41 -7.448 29.648 28.693 1.00 1.00 C ATOM 626 CG PHE A 41 -8.844 30.100 28.355 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.937 29.745 29.169 1.00 1.00 C ATOM 628 CD2 PHE A 41 -9.089 30.813 27.171 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.243 30.111 28.817 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.393 31.176 26.811 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.468 30.830 27.638 1.00 1.00 C ATOM 0 H PHE A 41 -6.461 31.876 29.181 1.00 1.00 H new ATOM 0 HA PHE A 41 -7.886 30.124 30.791 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.747 30.052 27.962 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.390 28.562 28.624 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.767 29.184 30.076 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -8.263 31.085 26.531 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.072 29.839 29.453 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.569 31.722 25.896 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.473 31.118 27.366 1.00 1.00 H new ATOM 641 N MET A 42 -4.745 29.145 30.358 1.00 1.00 N ATOM 642 CA MET A 42 -3.772 28.176 30.843 1.00 1.00 C ATOM 643 C MET A 42 -3.438 28.319 32.321 1.00 1.00 C ATOM 644 O MET A 42 -2.966 27.370 32.945 1.00 1.00 O ATOM 645 CB MET A 42 -2.458 28.234 30.032 1.00 1.00 C ATOM 646 CG MET A 42 -2.606 27.667 28.606 1.00 1.00 C ATOM 647 SD MET A 42 -1.049 27.538 27.676 1.00 1.00 S ATOM 648 CE MET A 42 -0.356 26.091 28.532 1.00 1.00 C ATOM 0 H MET A 42 -4.349 29.871 29.760 1.00 1.00 H new ATOM 0 HA MET A 42 -4.259 27.210 30.706 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.119 29.268 29.973 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.686 27.676 30.561 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.060 26.678 28.668 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.296 28.300 28.048 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.620 26.346 28.946 1.00 1.00 H new ATOM 0 HE2 MET A 42 -1.025 25.790 29.338 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.247 25.268 27.825 1.00 1.00 H new ATOM 658 N THR A 43 -3.711 29.485 32.941 1.00 1.00 N ATOM 659 CA THR A 43 -3.619 29.632 34.395 1.00 1.00 C ATOM 660 C THR A 43 -4.994 29.509 35.051 1.00 1.00 C ATOM 661 O THR A 43 -5.149 29.683 36.258 1.00 1.00 O ATOM 662 CB THR A 43 -2.867 30.898 34.811 1.00 1.00 C ATOM 663 OG1 THR A 43 -2.398 30.823 36.154 1.00 1.00 O ATOM 664 CG2 THR A 43 -3.711 32.169 34.668 1.00 1.00 C ATOM 0 H THR A 43 -3.996 30.333 32.452 1.00 1.00 H new ATOM 0 HA THR A 43 -3.016 28.804 34.769 1.00 1.00 H new ATOM 0 HB THR A 43 -2.021 30.958 34.126 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.093 30.429 36.722 1.00 1.00 H new ATOM 0 HG21 THR A 43 -3.123 33.033 34.978 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.013 32.290 33.628 1.00 1.00 H new ATOM 0 HG23 THR A 43 -4.598 32.089 35.296 1.00 1.00 H new ATOM 672 N HIS A 44 -6.044 29.156 34.269 1.00 1.00 N ATOM 673 CA HIS A 44 -7.365 28.816 34.803 1.00 1.00 C ATOM 674 C HIS A 44 -8.056 27.659 34.063 1.00 1.00 C ATOM 675 O HIS A 44 -9.129 27.877 33.489 1.00 1.00 O ATOM 676 CB HIS A 44 -8.330 30.031 34.751 1.00 1.00 C ATOM 677 CG HIS A 44 -7.838 31.223 35.516 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.723 31.215 36.878 1.00 1.00 N ATOM 679 CD2 HIS A 44 -7.319 32.396 35.082 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.137 32.333 37.265 1.00 1.00 C ATOM 681 NE2 HIS A 44 -6.877 33.065 36.193 1.00 1.00 N ATOM 0 H HIS A 44 -5.988 29.102 33.252 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.167 28.510 35.830 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.485 30.317 33.711 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.300 29.731 35.147 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -7.264 32.738 34.059 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.908 32.605 38.285 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -6.422 33.978 36.194 1.00 1.00 H new ATOM 690 N PRO A 45 -7.550 26.424 34.029 1.00 1.00 N ATOM 691 CA PRO A 45 -8.222 25.303 33.377 1.00 1.00 C ATOM 692 C PRO A 45 -9.368 24.753 34.221 1.00 1.00 C ATOM 693 O PRO A 45 -9.382 24.919 35.444 1.00 1.00 O ATOM 694 CB PRO A 45 -7.094 24.263 33.248 1.00 1.00 C ATOM 695 CG PRO A 45 -6.226 24.500 34.487 1.00 1.00 C ATOM 696 CD PRO A 45 -6.286 26.019 34.658 1.00 1.00 C ATOM 0 HA PRO A 45 -8.680 25.581 32.428 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.489 23.247 33.226 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.525 24.404 32.329 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.617 23.979 35.361 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.205 24.150 34.338 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.262 26.299 35.711 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.435 26.504 34.180 1.00 1.00 H new ATOM 704 N GLU A 46 -10.354 24.109 33.564 1.00 1.00 N ATOM 705 CA GLU A 46 -11.512 23.450 34.147 1.00 1.00 C ATOM 706 C GLU A 46 -12.426 24.390 34.924 1.00 1.00 C ATOM 707 O GLU A 46 -12.876 24.096 36.032 1.00 1.00 O ATOM 708 CB GLU A 46 -11.158 22.170 34.951 1.00 1.00 C ATOM 709 CG GLU A 46 -10.494 21.051 34.107 1.00 1.00 C ATOM 710 CD GLU A 46 -10.265 19.791 34.918 1.00 1.00 C ATOM 711 OE1 GLU A 46 -9.463 19.831 35.890 1.00 1.00 O ATOM 712 OE2 GLU A 46 -10.855 18.724 34.599 1.00 1.00 O ATOM 0 H GLU A 46 -10.350 24.038 32.546 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.093 23.114 33.288 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.487 22.441 35.766 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.068 21.776 35.404 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -11.125 20.821 33.249 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.542 21.409 33.715 1.00 1.00 H new ATOM 719 N ARG A 47 -12.726 25.557 34.329 1.00 1.00 N ATOM 720 CA ARG A 47 -13.692 26.501 34.852 1.00 1.00 C ATOM 721 C ARG A 47 -14.308 27.255 33.685 1.00 1.00 C ATOM 722 O ARG A 47 -13.619 27.601 32.724 1.00 1.00 O ATOM 723 CB ARG A 47 -13.018 27.478 35.852 1.00 1.00 C ATOM 724 CG ARG A 47 -13.911 28.628 36.358 1.00 1.00 C ATOM 725 CD ARG A 47 -13.284 29.414 37.512 1.00 1.00 C ATOM 726 NE ARG A 47 -14.160 30.605 37.734 1.00 1.00 N ATOM 727 CZ ARG A 47 -13.748 31.728 38.335 1.00 1.00 C ATOM 728 NH1 ARG A 47 -12.658 31.769 39.085 1.00 1.00 N ATOM 729 NH2 ARG A 47 -14.479 32.822 38.149 1.00 1.00 N ATOM 0 H ARG A 47 -12.290 25.863 33.459 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.473 25.969 35.396 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.669 26.907 36.712 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.137 27.908 35.376 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.118 29.309 35.533 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -14.869 28.220 36.682 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.225 28.802 38.412 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -12.267 29.720 37.267 1.00 1.00 H new ATOM 0 HE ARG A 47 -15.126 30.559 37.409 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -12.100 30.926 39.221 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -12.376 32.644 39.527 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -15.316 32.783 37.568 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -14.203 33.701 38.588 1.00 1.00 H new ATOM 743 N VAL A 48 -15.626 27.527 33.725 1.00 1.00 N ATOM 744 CA VAL A 48 -16.323 28.263 32.681 1.00 1.00 C ATOM 745 C VAL A 48 -16.198 29.758 32.913 1.00 1.00 C ATOM 746 O VAL A 48 -16.330 30.267 34.026 1.00 1.00 O ATOM 747 CB VAL A 48 -17.804 27.900 32.586 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.516 28.639 31.429 1.00 1.00 C ATOM 749 CG2 VAL A 48 -17.946 26.378 32.388 1.00 1.00 C ATOM 0 H VAL A 48 -16.231 27.235 34.492 1.00 1.00 H new ATOM 0 HA VAL A 48 -15.848 27.982 31.741 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.280 28.211 33.516 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.566 28.348 31.403 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.442 29.715 31.584 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.043 28.376 30.483 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.002 26.117 32.320 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.439 26.082 31.470 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.497 25.858 33.234 1.00 1.00 H new ATOM 759 N TYR A 49 -15.945 30.501 31.831 1.00 1.00 N ATOM 760 CA TYR A 49 -15.922 31.946 31.821 1.00 1.00 C ATOM 761 C TYR A 49 -16.870 32.388 30.736 1.00 1.00 C ATOM 762 O TYR A 49 -16.791 31.964 29.581 1.00 1.00 O ATOM 763 CB TYR A 49 -14.506 32.504 31.540 1.00 1.00 C ATOM 764 CG TYR A 49 -13.600 32.291 32.725 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.523 33.259 33.740 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.805 31.137 32.829 1.00 1.00 C ATOM 767 CE1 TYR A 49 -12.651 33.095 34.827 1.00 1.00 C ATOM 768 CE2 TYR A 49 -11.937 30.965 33.918 1.00 1.00 C ATOM 769 CZ TYR A 49 -11.849 31.953 34.907 1.00 1.00 C ATOM 770 OH TYR A 49 -10.933 31.801 35.967 1.00 1.00 O ATOM 0 H TYR A 49 -15.746 30.091 30.918 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.217 32.325 32.800 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.085 32.014 30.662 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.569 33.568 31.311 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.143 34.141 33.683 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.863 30.376 32.065 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -12.600 33.848 35.599 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.337 30.070 33.994 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.273 32.262 36.762 1.00 1.00 H new ATOM 780 N SER A 50 -17.826 33.261 31.099 1.00 1.00 N ATOM 781 CA SER A 50 -18.679 33.947 30.148 1.00 1.00 C ATOM 782 C SER A 50 -17.881 34.875 29.250 1.00 1.00 C ATOM 783 O SER A 50 -16.773 35.295 29.588 1.00 1.00 O ATOM 784 CB SER A 50 -19.855 34.713 30.815 1.00 1.00 C ATOM 785 OG SER A 50 -19.422 35.861 31.548 1.00 1.00 O ATOM 0 H SER A 50 -18.019 33.503 32.071 1.00 1.00 H new ATOM 0 HA SER A 50 -19.123 33.163 29.535 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.563 35.024 30.047 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.388 34.039 31.486 1.00 1.00 H new ATOM 0 HG SER A 50 -20.199 36.307 31.946 1.00 1.00 H new ATOM 791 N ARG A 51 -18.415 35.240 28.069 1.00 1.00 N ATOM 792 CA ARG A 51 -17.775 36.221 27.203 1.00 1.00 C ATOM 793 C ARG A 51 -17.592 37.557 27.904 1.00 1.00 C ATOM 794 O ARG A 51 -16.557 38.198 27.769 1.00 1.00 O ATOM 795 CB ARG A 51 -18.538 36.426 25.875 1.00 1.00 C ATOM 796 CG ARG A 51 -18.575 35.157 25.008 1.00 1.00 C ATOM 797 CD ARG A 51 -19.210 35.395 23.636 1.00 1.00 C ATOM 798 NE ARG A 51 -19.152 34.119 22.855 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.085 33.164 22.906 1.00 1.00 C ATOM 800 NH1 ARG A 51 -20.949 33.055 23.905 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.189 32.340 21.865 1.00 1.00 N ATOM 0 H ARG A 51 -19.289 34.864 27.702 1.00 1.00 H new ATOM 0 HA ARG A 51 -16.793 35.812 26.966 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.558 36.742 26.092 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.068 37.232 25.312 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.559 34.784 24.874 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -19.133 34.381 25.532 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.243 35.723 23.749 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -18.681 36.187 23.106 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.349 33.969 22.245 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -20.919 33.718 24.680 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.644 32.308 23.899 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.568 32.450 21.064 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.890 31.599 21.869 1.00 1.00 H new ATOM 815 N GLU A 52 -18.564 37.952 28.748 1.00 1.00 N ATOM 816 CA GLU A 52 -18.466 39.099 29.629 1.00 1.00 C ATOM 817 C GLU A 52 -17.302 39.020 30.627 1.00 1.00 C ATOM 818 O GLU A 52 -16.568 39.994 30.792 1.00 1.00 O ATOM 819 CB GLU A 52 -19.804 39.293 30.386 1.00 1.00 C ATOM 820 CG GLU A 52 -21.017 39.492 29.438 1.00 1.00 C ATOM 821 CD GLU A 52 -22.338 39.468 30.179 1.00 1.00 C ATOM 822 OE1 GLU A 52 -22.585 38.500 30.941 1.00 1.00 O ATOM 823 OE2 GLU A 52 -23.173 40.396 29.996 1.00 1.00 O ATOM 0 H GLU A 52 -19.455 37.461 28.827 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.259 39.959 28.993 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -19.985 38.425 31.020 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.720 40.157 31.045 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -20.914 40.443 28.915 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -21.014 38.709 28.680 1.00 1.00 H new ATOM 830 N GLN A 53 -17.042 37.857 31.284 1.00 1.00 N ATOM 831 CA GLN A 53 -15.875 37.701 32.138 1.00 1.00 C ATOM 832 C GLN A 53 -14.569 37.764 31.363 1.00 1.00 C ATOM 833 O GLN A 53 -13.610 38.416 31.775 1.00 1.00 O ATOM 834 CB GLN A 53 -15.919 36.355 32.890 1.00 1.00 C ATOM 835 CG GLN A 53 -17.042 36.277 33.943 1.00 1.00 C ATOM 836 CD GLN A 53 -17.174 34.845 34.444 1.00 1.00 C ATOM 837 OE1 GLN A 53 -17.942 34.048 33.898 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.387 34.482 35.476 1.00 1.00 N ATOM 0 H GLN A 53 -17.634 37.028 31.227 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.908 38.534 32.840 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.051 35.549 32.169 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -14.960 36.190 33.380 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -16.821 36.945 34.775 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -17.985 36.610 33.509 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -15.763 35.164 35.906 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.416 33.525 35.827 1.00 1.00 H new ATOM 847 N LEU A 54 -14.508 37.108 30.186 1.00 1.00 N ATOM 848 CA LEU A 54 -13.351 37.151 29.307 1.00 1.00 C ATOM 849 C LEU A 54 -13.045 38.555 28.813 1.00 1.00 C ATOM 850 O LEU A 54 -11.892 38.982 28.825 1.00 1.00 O ATOM 851 CB LEU A 54 -13.520 36.199 28.099 1.00 1.00 C ATOM 852 CG LEU A 54 -13.630 34.708 28.480 1.00 1.00 C ATOM 853 CD1 LEU A 54 -13.921 33.857 27.237 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.378 34.194 29.207 1.00 1.00 C ATOM 0 H LEU A 54 -15.271 36.534 29.828 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.506 36.816 29.909 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.413 36.488 27.545 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.672 36.329 27.427 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.462 34.616 29.178 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -13.995 32.808 27.524 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -14.861 34.178 26.788 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.114 33.979 26.515 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.507 33.140 29.453 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.508 34.312 28.561 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.230 34.765 30.124 1.00 1.00 H new ATOM 866 N LEU A 55 -14.078 39.335 28.433 1.00 1.00 N ATOM 867 CA LEU A 55 -13.947 40.743 28.105 1.00 1.00 C ATOM 868 C LEU A 55 -13.396 41.565 29.253 1.00 1.00 C ATOM 869 O LEU A 55 -12.409 42.274 29.085 1.00 1.00 O ATOM 870 CB LEU A 55 -15.306 41.331 27.652 1.00 1.00 C ATOM 871 CG LEU A 55 -15.717 40.892 26.233 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.192 41.216 25.953 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.801 41.520 25.173 1.00 1.00 C ATOM 0 H LEU A 55 -15.033 38.986 28.349 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.230 40.800 27.286 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.079 41.026 28.357 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.253 42.419 27.687 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.601 39.810 26.176 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.450 40.894 24.944 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.822 40.694 26.673 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.352 42.290 26.043 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.114 41.193 24.182 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.866 42.606 25.234 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.772 41.207 25.350 1.00 1.00 H new ATOM 885 N ASN A 56 -13.945 41.422 30.474 1.00 1.00 N ATOM 886 CA ASN A 56 -13.442 42.128 31.641 1.00 1.00 C ATOM 887 C ASN A 56 -11.996 41.771 31.998 1.00 1.00 C ATOM 888 O ASN A 56 -11.178 42.647 32.271 1.00 1.00 O ATOM 889 CB ASN A 56 -14.358 41.871 32.866 1.00 1.00 C ATOM 890 CG ASN A 56 -15.719 42.533 32.658 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.854 43.552 31.969 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.764 41.973 33.307 1.00 1.00 N ATOM 0 H ASN A 56 -14.743 40.816 30.666 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.451 43.186 31.378 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.486 40.799 33.014 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.889 42.264 33.768 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.692 42.391 33.235 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.625 41.133 33.868 1.00 1.00 H new ATOM 899 N HIS A 57 -11.627 40.476 31.982 1.00 1.00 N ATOM 900 CA HIS A 57 -10.267 40.038 32.263 1.00 1.00 C ATOM 901 C HIS A 57 -9.218 40.325 31.191 1.00 1.00 C ATOM 902 O HIS A 57 -8.097 40.706 31.523 1.00 1.00 O ATOM 903 CB HIS A 57 -10.215 38.539 32.637 1.00 1.00 C ATOM 904 CG HIS A 57 -10.960 38.237 33.904 1.00 1.00 C ATOM 905 ND1 HIS A 57 -10.592 38.870 35.081 1.00 1.00 N ATOM 906 CD2 HIS A 57 -12.008 37.401 34.126 1.00 1.00 C ATOM 907 CE1 HIS A 57 -11.433 38.402 35.994 1.00 1.00 C ATOM 908 NE2 HIS A 57 -12.307 37.515 35.464 1.00 1.00 N ATOM 0 H HIS A 57 -12.271 39.713 31.773 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.990 40.663 33.112 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.636 37.950 31.822 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.175 38.231 32.749 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.505 36.775 33.400 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -11.422 38.693 37.034 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -13.048 37.023 35.963 1.00 1.00 H new ATOM 916 N VAL A 58 -9.511 40.134 29.886 1.00 1.00 N ATOM 917 CA VAL A 58 -8.461 40.128 28.863 1.00 1.00 C ATOM 918 C VAL A 58 -8.430 41.407 28.045 1.00 1.00 C ATOM 919 O VAL A 58 -7.366 41.909 27.676 1.00 1.00 O ATOM 920 CB VAL A 58 -8.655 38.927 27.938 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.659 38.910 26.761 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.497 37.650 28.779 1.00 1.00 C ATOM 0 H VAL A 58 -10.454 39.985 29.527 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.505 40.058 29.381 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.649 38.990 27.496 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -7.845 38.034 26.139 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.786 39.813 26.164 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.640 38.871 27.147 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.631 36.776 28.142 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.501 37.627 29.222 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.246 37.640 29.570 1.00 1.00 H new ATOM 932 N TRP A 59 -9.604 41.993 27.756 1.00 1.00 N ATOM 933 CA TRP A 59 -9.708 43.244 27.032 1.00 1.00 C ATOM 934 C TRP A 59 -9.699 44.410 28.011 1.00 1.00 C ATOM 935 O TRP A 59 -9.049 45.434 27.795 1.00 1.00 O ATOM 936 CB TRP A 59 -11.011 43.266 26.190 1.00 1.00 C ATOM 937 CG TRP A 59 -10.987 42.452 24.901 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.886 42.949 23.633 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.158 41.026 24.755 1.00 1.00 C ATOM 940 NE1 TRP A 59 -11.001 41.939 22.706 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.185 40.752 23.372 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.309 40.000 25.682 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.381 39.459 22.905 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.489 38.690 25.211 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.528 38.422 23.837 1.00 1.00 C ATOM 0 H TRP A 59 -10.506 41.599 28.025 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.855 43.337 26.360 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.828 42.901 26.812 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.240 44.302 25.938 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.737 43.991 23.391 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.957 42.053 21.693 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.288 40.207 26.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.419 39.256 21.845 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.599 37.879 25.916 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.672 37.409 23.493 1.00 1.00 H new ATOM 956 N GLY A 60 -10.415 44.252 29.140 1.00 1.00 N ATOM 957 CA GLY A 60 -10.554 45.279 30.165 1.00 1.00 C ATOM 958 C GLY A 60 -11.985 45.616 30.499 1.00 1.00 C ATOM 959 O GLY A 60 -12.936 45.343 29.768 1.00 1.00 O ATOM 0 H GLY A 60 -10.917 43.392 29.360 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -10.048 44.946 31.071 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -10.046 46.184 29.831 1.00 1.00 H new ATOM 963 N THR A 61 -12.175 46.254 31.663 1.00 1.00 N ATOM 964 CA THR A 61 -13.477 46.637 32.205 1.00 1.00 C ATOM 965 C THR A 61 -13.964 47.954 31.639 1.00 1.00 C ATOM 966 O THR A 61 -15.164 48.223 31.609 1.00 1.00 O ATOM 967 CB THR A 61 -13.502 46.732 33.733 1.00 1.00 C ATOM 968 OG1 THR A 61 -12.372 47.425 34.256 1.00 1.00 O ATOM 969 CG2 THR A 61 -13.454 45.313 34.315 1.00 1.00 C ATOM 0 H THR A 61 -11.400 46.524 32.268 1.00 1.00 H new ATOM 0 HA THR A 61 -14.143 45.830 31.900 1.00 1.00 H new ATOM 0 HB THR A 61 -14.409 47.272 34.005 1.00 1.00 H new ATOM 0 HG1 THR A 61 -12.434 47.461 35.233 1.00 1.00 H new ATOM 0 HG21 THR A 61 -13.471 45.365 35.404 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.317 44.747 33.965 1.00 1.00 H new ATOM 0 HG23 THR A 61 -12.539 44.817 33.990 1.00 1.00 H new ATOM 977 N ASN A 62 -13.051 48.780 31.094 1.00 1.00 N ATOM 978 CA ASN A 62 -13.372 50.032 30.427 1.00 1.00 C ATOM 979 C ASN A 62 -13.348 49.848 28.915 1.00 1.00 C ATOM 980 O ASN A 62 -13.171 50.803 28.162 1.00 1.00 O ATOM 981 CB ASN A 62 -12.377 51.166 30.795 1.00 1.00 C ATOM 982 CG ASN A 62 -12.414 51.467 32.285 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.179 52.326 32.741 1.00 1.00 O ATOM 984 ND2 ASN A 62 -11.567 50.771 33.076 1.00 1.00 N ATOM 0 H ASN A 62 -12.051 48.581 31.112 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.368 50.317 30.764 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.367 50.876 30.505 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -12.624 52.067 30.233 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -11.546 50.948 34.080 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.949 50.069 32.668 1.00 1.00 H new ATOM 991 N VAL A 63 -13.511 48.604 28.432 1.00 1.00 N ATOM 992 CA VAL A 63 -13.554 48.273 27.023 1.00 1.00 C ATOM 993 C VAL A 63 -14.947 47.786 26.717 1.00 1.00 C ATOM 994 O VAL A 63 -15.592 47.083 27.493 1.00 1.00 O ATOM 995 CB VAL A 63 -12.507 47.232 26.654 1.00 1.00 C ATOM 996 CG1 VAL A 63 -12.620 46.792 25.182 1.00 1.00 C ATOM 997 CG2 VAL A 63 -11.112 47.835 26.896 1.00 1.00 C ATOM 0 H VAL A 63 -13.618 47.790 29.038 1.00 1.00 H new ATOM 0 HA VAL A 63 -13.320 49.154 26.426 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.669 46.350 27.274 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -11.853 46.049 24.965 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -13.605 46.359 25.006 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -12.482 47.656 24.532 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -10.349 47.102 26.636 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.987 48.723 26.277 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -11.011 48.108 27.946 1.00 1.00 H new ATOM 1007 N TYR A 64 -15.469 48.262 25.580 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.889 48.468 25.393 1.00 1.00 C ATOM 1009 C TYR A 64 -17.450 47.777 24.166 1.00 1.00 C ATOM 1010 O TYR A 64 -18.592 47.976 23.748 1.00 1.00 O ATOM 1011 CB TYR A 64 -17.098 49.983 25.214 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.786 50.786 26.457 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -17.236 50.401 27.735 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -16.036 51.970 26.339 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -16.920 51.169 28.867 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -15.729 52.744 27.466 1.00 1.00 C ATOM 1017 CZ TYR A 64 -16.165 52.339 28.731 1.00 1.00 C ATOM 1018 OH TYR A 64 -15.866 53.123 29.866 1.00 1.00 O ATOM 0 H TYR A 64 -14.906 48.513 24.767 1.00 1.00 H new ATOM 0 HA TYR A 64 -17.405 48.050 26.257 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -16.469 50.334 24.396 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -18.132 50.167 24.922 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -17.830 49.506 27.845 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -15.692 52.287 25.366 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -17.260 50.856 29.843 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -15.156 53.653 27.357 1.00 1.00 H new ATOM 0 HH TYR A 64 -15.333 53.900 29.596 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.607 46.948 23.567 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.857 46.067 22.430 1.00 1.00 C ATOM 1030 C VAL A 65 -18.051 45.131 22.573 1.00 1.00 C ATOM 1031 O VAL A 65 -18.465 44.756 23.674 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.655 45.217 22.025 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.493 46.114 21.597 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -15.197 44.290 23.157 1.00 1.00 C ATOM 0 H VAL A 65 -15.644 46.866 23.892 1.00 1.00 H new ATOM 0 HA VAL A 65 -17.081 46.795 21.651 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.969 44.594 21.188 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.642 45.496 21.311 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.799 46.726 20.748 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -14.208 46.761 22.427 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.340 43.705 22.824 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.914 44.887 24.024 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -16.011 43.618 23.429 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.622 44.714 21.426 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.561 43.616 21.310 1.00 1.00 C ATOM 1046 C GLU A 66 -18.986 42.283 21.777 1.00 1.00 C ATOM 1047 O GLU A 66 -17.779 42.050 21.787 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.047 43.396 19.856 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.646 44.640 19.169 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.093 44.304 17.758 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -20.698 43.372 17.078 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.999 45.210 17.272 1.00 1.00 O ATOM 0 H GLU A 66 -18.425 45.159 20.530 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.388 43.917 21.953 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.207 43.040 19.259 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.796 42.604 19.856 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -21.493 45.009 19.747 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -19.906 45.440 19.142 1.00 1.00 H new ATOM 1060 N ASP A 67 -19.867 41.341 22.142 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.507 39.999 22.553 1.00 1.00 C ATOM 1062 C ASP A 67 -18.804 39.195 21.454 1.00 1.00 C ATOM 1063 O ASP A 67 -17.975 38.328 21.726 1.00 1.00 O ATOM 1064 CB ASP A 67 -20.781 39.253 23.007 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.455 40.018 24.112 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -21.042 39.922 25.294 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -22.436 40.755 23.831 1.00 1.00 O ATOM 0 H ASP A 67 -20.873 41.507 22.156 1.00 1.00 H new ATOM 0 HA ASP A 67 -18.795 40.093 23.373 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.464 39.135 22.165 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -20.523 38.251 23.351 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.093 39.492 20.167 1.00 1.00 N ATOM 1073 CA ARG A 68 -18.680 38.693 19.033 1.00 1.00 C ATOM 1074 C ARG A 68 -17.202 38.786 18.716 1.00 1.00 C ATOM 1075 O ARG A 68 -16.655 37.901 18.056 1.00 1.00 O ATOM 1076 CB ARG A 68 -19.477 39.093 17.768 1.00 1.00 C ATOM 1077 CG ARG A 68 -20.969 38.722 17.823 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.245 37.220 17.674 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.725 37.090 17.510 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.347 37.261 16.334 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.713 37.133 15.178 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.642 37.553 16.335 1.00 1.00 N ATOM 0 H ARG A 68 -19.633 40.316 19.901 1.00 1.00 H new ATOM 0 HA ARG A 68 -18.888 37.662 19.320 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -19.386 40.169 17.620 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.026 38.612 16.900 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.383 39.065 18.771 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -21.495 39.258 17.033 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -20.719 36.810 16.812 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.899 36.671 18.550 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.287 36.861 18.329 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.721 36.897 15.164 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -23.217 37.270 14.302 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.144 37.643 17.218 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -25.135 37.687 15.452 1.00 1.00 H new ATOM 1096 N THR A 69 -16.465 39.811 19.206 1.00 1.00 N ATOM 1097 CA THR A 69 -15.016 39.793 19.035 1.00 1.00 C ATOM 1098 C THR A 69 -14.341 38.727 19.896 1.00 1.00 C ATOM 1099 O THR A 69 -13.265 38.223 19.571 1.00 1.00 O ATOM 1100 CB THR A 69 -14.412 41.182 19.172 1.00 1.00 C ATOM 1101 OG1 THR A 69 -13.056 41.235 18.740 1.00 1.00 O ATOM 1102 CG2 THR A 69 -14.448 41.739 20.585 1.00 1.00 C ATOM 0 H THR A 69 -16.840 40.621 19.700 1.00 1.00 H new ATOM 0 HA THR A 69 -14.811 39.490 18.008 1.00 1.00 H new ATOM 0 HB THR A 69 -15.048 41.792 18.530 1.00 1.00 H new ATOM 0 HG1 THR A 69 -12.714 42.147 18.847 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.998 42.732 20.596 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.482 41.805 20.924 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.889 41.080 21.250 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.003 38.249 20.977 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.561 37.059 21.694 1.00 1.00 C ATOM 1112 C VAL A 70 -14.641 35.808 20.820 1.00 1.00 C ATOM 1113 O VAL A 70 -13.658 35.082 20.693 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.328 36.826 22.993 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.667 35.695 23.810 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.345 38.121 23.827 1.00 1.00 C ATOM 0 H VAL A 70 -15.844 38.679 21.361 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.519 37.247 21.952 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.350 36.536 22.749 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.224 35.540 24.734 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.669 34.775 23.226 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.640 35.971 24.048 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -15.894 37.950 24.753 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.322 38.417 24.060 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -15.831 38.914 23.258 1.00 1.00 H new ATOM 1126 N ASP A 71 -15.777 35.580 20.116 1.00 1.00 N ATOM 1127 CA ASP A 71 -15.983 34.463 19.204 1.00 1.00 C ATOM 1128 C ASP A 71 -14.968 34.437 18.060 1.00 1.00 C ATOM 1129 O ASP A 71 -14.404 33.393 17.728 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.408 34.504 18.564 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.541 34.471 19.569 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.608 35.378 20.434 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.420 33.567 19.485 1.00 1.00 O ATOM 0 H ASP A 71 -16.589 36.194 20.179 1.00 1.00 H new ATOM 0 HA ASP A 71 -15.860 33.569 19.816 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.498 35.408 17.962 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.514 33.657 17.886 1.00 1.00 H new ATOM 1138 N VAL A 72 -14.693 35.608 17.450 1.00 1.00 N ATOM 1139 CA VAL A 72 -13.694 35.797 16.405 1.00 1.00 C ATOM 1140 C VAL A 72 -12.265 35.532 16.883 1.00 1.00 C ATOM 1141 O VAL A 72 -11.489 34.828 16.235 1.00 1.00 O ATOM 1142 CB VAL A 72 -13.847 37.191 15.798 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -12.725 37.525 14.798 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.211 37.249 15.076 1.00 1.00 C ATOM 0 H VAL A 72 -15.183 36.471 17.687 1.00 1.00 H new ATOM 0 HA VAL A 72 -13.876 35.051 15.631 1.00 1.00 H new ATOM 0 HB VAL A 72 -13.786 37.925 16.601 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -12.882 38.526 14.396 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.761 37.484 15.306 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.737 36.801 13.983 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.346 38.236 14.633 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.240 36.492 14.292 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.010 37.061 15.793 1.00 1.00 H new ATOM 1154 N HIS A 73 -11.879 36.022 18.082 1.00 1.00 N ATOM 1155 CA HIS A 73 -10.570 35.729 18.654 1.00 1.00 C ATOM 1156 C HIS A 73 -10.416 34.262 19.074 1.00 1.00 C ATOM 1157 O HIS A 73 -9.344 33.678 18.929 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.257 36.657 19.854 1.00 1.00 C ATOM 1159 CG HIS A 73 -9.928 38.083 19.468 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -8.700 38.434 18.983 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -10.630 39.235 19.595 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -8.643 39.751 18.844 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -9.798 40.256 19.226 1.00 1.00 N ATOM 0 H HIS A 73 -12.464 36.622 18.664 1.00 1.00 H new ATOM 0 HA HIS A 73 -9.849 35.919 17.859 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.115 36.664 20.527 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -9.418 36.241 20.411 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -7.945 37.784 18.762 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -11.654 39.329 19.925 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -7.796 40.313 18.480 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.489 33.605 19.564 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.533 32.165 19.822 1.00 1.00 C ATOM 1174 C ILE A 74 -11.316 31.329 18.561 1.00 1.00 C ATOM 1175 O ILE A 74 -10.560 30.355 18.576 1.00 1.00 O ATOM 1176 CB ILE A 74 -12.830 31.784 20.543 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -12.788 32.227 22.029 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.176 30.282 20.426 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -11.847 31.416 22.932 1.00 1.00 C ATOM 0 H ILE A 74 -12.363 34.078 19.793 1.00 1.00 H new ATOM 0 HA ILE A 74 -10.696 31.931 20.480 1.00 1.00 H new ATOM 0 HB ILE A 74 -13.630 32.323 20.036 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.490 33.275 22.070 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -13.797 32.167 22.437 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.105 30.080 20.958 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.295 30.017 19.375 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.372 29.688 20.862 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -11.892 31.806 23.949 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.154 30.370 22.931 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -10.826 31.495 22.558 1.00 1.00 H new ATOM 1191 N ARG A 75 -11.912 31.718 17.410 1.00 1.00 N ATOM 1192 CA ARG A 75 -11.671 31.073 16.124 1.00 1.00 C ATOM 1193 C ARG A 75 -10.206 31.104 15.707 1.00 1.00 C ATOM 1194 O ARG A 75 -9.651 30.089 15.281 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.538 31.725 15.009 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.118 31.383 13.559 1.00 1.00 C ATOM 1197 CD ARG A 75 -13.088 31.896 12.495 1.00 1.00 C ATOM 1198 NE ARG A 75 -12.433 31.687 11.160 1.00 1.00 N ATOM 1199 CZ ARG A 75 -12.005 32.660 10.343 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -12.075 33.953 10.647 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -11.521 32.331 9.148 1.00 1.00 N ATOM 0 H ARG A 75 -12.574 32.492 17.360 1.00 1.00 H new ATOM 0 HA ARG A 75 -11.954 30.028 16.253 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.574 31.418 15.151 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.506 32.807 15.133 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -11.130 31.803 13.369 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -12.028 30.301 13.463 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -14.035 31.359 12.547 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.310 32.951 12.654 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.303 30.724 10.849 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -12.470 34.246 11.541 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -11.734 34.651 9.987 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.480 31.352 8.866 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -11.191 33.058 8.514 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.545 32.266 15.869 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.123 32.446 15.635 1.00 1.00 C ATOM 1217 C ARG A 76 -7.237 31.607 16.544 1.00 1.00 C ATOM 1218 O ARG A 76 -6.252 31.015 16.097 1.00 1.00 O ATOM 1219 CB ARG A 76 -7.756 33.934 15.811 1.00 1.00 C ATOM 1220 CG ARG A 76 -8.257 34.804 14.650 1.00 1.00 C ATOM 1221 CD ARG A 76 -7.936 36.290 14.825 1.00 1.00 C ATOM 1222 NE ARG A 76 -8.130 36.888 13.472 1.00 1.00 N ATOM 1223 CZ ARG A 76 -7.131 37.180 12.635 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -5.899 37.460 13.038 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -7.376 37.170 11.328 1.00 1.00 N ATOM 0 H ARG A 76 -10.010 33.121 16.175 1.00 1.00 H new ATOM 0 HA ARG A 76 -7.937 32.108 14.615 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.180 34.301 16.745 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -6.673 34.031 15.892 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -7.811 34.450 13.721 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -9.336 34.681 14.552 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -8.595 36.753 15.559 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -6.915 36.434 15.178 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.083 37.086 13.168 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -5.675 37.459 14.033 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -5.175 37.676 12.353 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -8.310 36.943 10.986 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -6.630 37.389 10.668 1.00 1.00 H new ATOM 1239 N LEU A 77 -7.580 31.524 17.846 1.00 1.00 N ATOM 1240 CA LEU A 77 -6.887 30.701 18.820 1.00 1.00 C ATOM 1241 C LEU A 77 -6.960 29.207 18.503 1.00 1.00 C ATOM 1242 O LEU A 77 -5.951 28.501 18.507 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.464 30.997 20.228 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.762 30.286 21.403 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.262 30.609 21.465 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.435 30.660 22.733 1.00 1.00 C ATOM 0 H LEU A 77 -8.363 32.043 18.243 1.00 1.00 H new ATOM 0 HA LEU A 77 -5.829 30.959 18.785 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.419 32.072 20.400 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.517 30.716 20.235 1.00 1.00 H new ATOM 0 HG LEU A 77 -6.860 29.214 21.234 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.812 30.086 22.308 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -4.782 30.288 20.540 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.126 31.683 21.590 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -6.929 30.151 23.553 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.373 31.738 22.882 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.482 30.357 22.709 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.151 28.690 18.133 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.309 27.338 17.634 1.00 1.00 C ATOM 1260 C ARG A 78 -7.506 27.029 16.379 1.00 1.00 C ATOM 1261 O ARG A 78 -6.864 25.985 16.306 1.00 1.00 O ATOM 1262 CB ARG A 78 -9.799 27.084 17.346 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.621 26.931 18.632 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.121 27.068 18.383 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.762 26.645 19.654 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.070 26.767 19.908 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -14.877 27.476 19.129 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.563 26.156 20.982 1.00 1.00 N ATOM 0 H ARG A 78 -9.025 29.214 18.178 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.922 26.680 18.412 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.199 27.910 16.757 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -9.902 26.183 16.742 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.417 25.957 19.077 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.305 27.684 19.354 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.387 28.094 18.129 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.442 26.441 17.551 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.169 26.237 20.377 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.505 27.950 18.306 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -15.869 27.547 19.353 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -13.948 25.612 21.587 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.556 26.231 21.201 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.468 27.939 15.384 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.704 27.762 14.154 1.00 1.00 C ATOM 1284 C LYS A 79 -5.203 27.588 14.382 1.00 1.00 C ATOM 1285 O LYS A 79 -4.543 26.761 13.751 1.00 1.00 O ATOM 1286 CB LYS A 79 -6.969 28.950 13.201 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.421 28.762 11.775 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.056 29.764 10.797 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.537 29.664 9.356 1.00 1.00 C ATOM 1290 NZ LYS A 79 -7.264 30.626 8.510 1.00 1.00 N ATOM 0 H LYS A 79 -7.976 28.823 15.422 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.048 26.831 13.703 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.044 29.120 13.143 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.527 29.849 13.630 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.339 28.890 11.779 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -6.620 27.745 11.438 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.135 29.613 10.792 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.877 30.774 11.165 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -5.467 29.872 9.327 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.675 28.651 8.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.915 30.561 7.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -8.280 30.407 8.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -7.110 31.590 8.869 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.636 28.343 15.343 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.274 28.178 15.809 1.00 1.00 C ATOM 1306 C ALA A 80 -2.994 26.836 16.495 1.00 1.00 C ATOM 1307 O ALA A 80 -1.944 26.221 16.300 1.00 1.00 O ATOM 1308 CB ALA A 80 -2.936 29.334 16.771 1.00 1.00 C ATOM 0 H ALA A 80 -5.135 29.096 15.817 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.639 28.192 14.923 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -1.913 29.222 17.129 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.035 30.284 16.247 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -3.621 29.314 17.618 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.932 26.323 17.323 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.708 25.142 18.126 1.00 1.00 C ATOM 1316 C LEU A 81 -4.109 23.853 17.409 1.00 1.00 C ATOM 1317 O LEU A 81 -3.803 22.754 17.879 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.560 25.247 19.416 1.00 1.00 C ATOM 1319 CG LEU A 81 -4.154 26.365 20.399 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -5.272 26.595 21.427 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.844 26.043 21.128 1.00 1.00 C ATOM 0 H LEU A 81 -4.860 26.731 17.439 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.640 25.096 18.338 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.601 25.400 19.130 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.511 24.293 19.940 1.00 1.00 H new ATOM 0 HG LEU A 81 -3.996 27.271 19.813 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.976 27.386 22.116 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.186 26.887 20.911 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -5.448 25.675 21.985 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.597 26.857 21.809 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.960 25.119 21.694 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -2.042 25.924 20.399 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.809 23.944 16.265 1.00 1.00 N ATOM 1334 CA GLU A 82 -5.310 22.806 15.511 1.00 1.00 C ATOM 1335 C GLU A 82 -4.272 21.893 14.853 1.00 1.00 C ATOM 1336 O GLU A 82 -4.452 20.678 14.970 1.00 1.00 O ATOM 1337 CB GLU A 82 -6.449 23.238 14.550 1.00 1.00 C ATOM 1338 CG GLU A 82 -7.305 22.067 14.009 1.00 1.00 C ATOM 1339 CD GLU A 82 -8.612 22.568 13.399 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -8.750 23.069 12.295 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -9.694 22.448 14.244 1.00 1.00 O ATOM 0 H GLU A 82 -5.043 24.840 15.837 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.723 22.141 16.270 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -7.101 23.939 15.071 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -6.013 23.774 13.707 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -6.738 21.517 13.258 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -7.523 21.370 14.818 1.00 1.00 H new ATOM 1349 N PRO A 83 -3.172 22.317 14.216 1.00 1.00 N ATOM 1350 CA PRO A 83 -2.176 21.395 13.662 1.00 1.00 C ATOM 1351 C PRO A 83 -1.520 20.473 14.678 1.00 1.00 C ATOM 1352 O PRO A 83 -1.200 19.333 14.341 1.00 1.00 O ATOM 1353 CB PRO A 83 -1.156 22.318 12.979 1.00 1.00 C ATOM 1354 CG PRO A 83 -2.007 23.504 12.523 1.00 1.00 C ATOM 1355 CD PRO A 83 -3.008 23.669 13.667 1.00 1.00 C ATOM 0 HA PRO A 83 -2.648 20.688 12.980 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -0.370 22.628 13.667 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.668 21.826 12.138 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -1.405 24.402 12.381 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -2.507 23.302 11.576 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.636 24.361 14.423 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.957 24.069 13.309 1.00 1.00 H new ATOM 1363 N GLY A 84 -1.293 20.929 15.925 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.824 20.083 17.022 1.00 1.00 C ATOM 1365 C GLY A 84 -1.916 19.363 17.780 1.00 1.00 C ATOM 1366 O GLY A 84 -1.650 18.567 18.677 1.00 1.00 O ATOM 0 H GLY A 84 -1.433 21.903 16.194 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -0.131 19.343 16.621 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.261 20.700 17.723 1.00 1.00 H new ATOM 1370 N GLY A 85 -3.196 19.622 17.449 1.00 1.00 N ATOM 1371 CA GLY A 85 -4.346 18.963 18.063 1.00 1.00 C ATOM 1372 C GLY A 85 -4.671 19.393 19.470 1.00 1.00 C ATOM 1373 O GLY A 85 -5.128 18.598 20.286 1.00 1.00 O ATOM 0 H GLY A 85 -3.455 20.305 16.737 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -5.220 19.141 17.437 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -4.168 17.888 18.063 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.441 20.675 19.809 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.749 21.210 21.132 1.00 1.00 C ATOM 1379 C HIS A 86 -5.956 22.135 21.108 1.00 1.00 C ATOM 1380 O HIS A 86 -6.458 22.544 22.151 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.527 21.903 21.788 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.358 20.957 21.909 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.310 20.965 21.030 1.00 1.00 N ATOM 1384 CD2 HIS A 86 -2.178 19.885 22.718 1.00 1.00 C ATOM 1385 CE1 HIS A 86 -0.524 19.929 21.280 1.00 1.00 C ATOM 1386 NE2 HIS A 86 -1.034 19.261 22.300 1.00 1.00 N ATOM 0 H HIS A 86 -4.038 21.360 19.170 1.00 1.00 H new ATOM 0 HA HIS A 86 -5.005 20.352 21.754 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -3.236 22.770 21.194 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.803 22.272 22.776 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -2.815 19.581 23.536 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.378 19.674 20.743 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.638 18.415 22.710 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.494 22.444 19.909 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.694 23.226 19.673 1.00 1.00 C ATOM 1397 C ASP A 87 -8.950 22.708 20.363 1.00 1.00 C ATOM 1398 O ASP A 87 -9.764 23.458 20.895 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.934 23.281 18.134 1.00 1.00 C ATOM 1400 CG ASP A 87 -8.253 21.937 17.486 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -7.526 20.938 17.718 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -9.258 21.865 16.733 1.00 1.00 O ATOM 0 H ASP A 87 -6.066 22.129 19.038 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.517 24.210 20.107 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.755 23.969 17.933 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -7.046 23.697 17.657 1.00 1.00 H new ATOM 1407 N ARG A 88 -9.120 21.381 20.362 1.00 1.00 N ATOM 1408 CA ARG A 88 -10.302 20.657 20.770 1.00 1.00 C ATOM 1409 C ARG A 88 -10.571 20.685 22.272 1.00 1.00 C ATOM 1410 O ARG A 88 -11.685 20.410 22.719 1.00 1.00 O ATOM 1411 CB ARG A 88 -10.182 19.217 20.214 1.00 1.00 C ATOM 1412 CG ARG A 88 -8.892 18.459 20.608 1.00 1.00 C ATOM 1413 CD ARG A 88 -8.394 17.465 19.548 1.00 1.00 C ATOM 1414 NE ARG A 88 -7.958 18.261 18.352 1.00 1.00 N ATOM 1415 CZ ARG A 88 -7.766 17.750 17.129 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -7.730 16.447 16.893 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -7.584 18.624 16.143 1.00 1.00 N ATOM 0 H ARG A 88 -8.378 20.753 20.053 1.00 1.00 H new ATOM 0 HA ARG A 88 -11.177 21.156 20.353 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -11.041 18.640 20.557 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -10.240 19.260 19.126 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -8.104 19.185 20.807 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -9.071 17.920 21.539 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -7.566 16.873 19.937 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -9.185 16.766 19.276 1.00 1.00 H new ATOM 0 HE ARG A 88 -7.797 19.260 18.480 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -7.851 15.786 17.660 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -7.581 16.105 15.944 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -7.595 19.625 16.340 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -7.433 18.293 15.190 1.00 1.00 H new ATOM 1431 N MET A 89 -9.573 21.096 23.083 1.00 1.00 N ATOM 1432 CA MET A 89 -9.729 21.292 24.513 1.00 1.00 C ATOM 1433 C MET A 89 -10.078 22.739 24.859 1.00 1.00 C ATOM 1434 O MET A 89 -10.257 23.079 26.028 1.00 1.00 O ATOM 1435 CB MET A 89 -8.449 20.881 25.284 1.00 1.00 C ATOM 1436 CG MET A 89 -8.154 19.363 25.254 1.00 1.00 C ATOM 1437 SD MET A 89 -7.206 18.765 23.819 1.00 1.00 S ATOM 1438 CE MET A 89 -5.591 19.350 24.405 1.00 1.00 C ATOM 0 H MET A 89 -8.632 21.299 22.745 1.00 1.00 H new ATOM 0 HA MET A 89 -10.556 20.651 24.819 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.597 21.414 24.863 1.00 1.00 H new ATOM 0 HB3 MET A 89 -8.544 21.201 26.322 1.00 1.00 H new ATOM 0 HG2 MET A 89 -7.608 19.101 26.160 1.00 1.00 H new ATOM 0 HG3 MET A 89 -9.103 18.827 25.287 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.799 18.835 23.862 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.509 20.423 24.234 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.494 19.144 25.471 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.245 23.618 23.843 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.878 24.922 23.991 1.00 1.00 C ATOM 1450 C VAL A 90 -12.360 24.735 23.702 1.00 1.00 C ATOM 1451 O VAL A 90 -12.805 24.717 22.554 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.301 25.984 23.051 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -10.965 27.354 23.315 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -8.776 26.091 23.249 1.00 1.00 C ATOM 0 H VAL A 90 -9.935 23.426 22.890 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.696 25.284 25.003 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.507 25.688 22.022 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.544 28.099 22.639 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.039 27.276 23.146 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -10.781 27.655 24.346 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.374 26.849 22.576 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.562 26.371 24.280 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.312 25.129 23.030 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.170 24.559 24.754 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.549 24.135 24.654 1.00 1.00 C ATOM 1466 C GLN A 91 -15.505 25.311 24.717 1.00 1.00 C ATOM 1467 O GLN A 91 -15.195 26.369 25.263 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.897 23.162 25.806 1.00 1.00 C ATOM 1469 CG GLN A 91 -14.077 21.851 25.777 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.391 21.000 27.005 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -15.135 21.407 27.905 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -13.792 19.793 27.073 1.00 1.00 N ATOM 0 H GLN A 91 -12.866 24.714 25.715 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.660 23.639 23.690 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.729 23.665 26.758 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.958 22.918 25.757 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -14.306 21.291 24.870 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.012 22.081 25.749 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -13.183 19.482 26.316 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -13.948 19.191 27.881 1.00 1.00 H new ATOM 1481 N THR A 92 -16.715 25.135 24.159 1.00 1.00 N ATOM 1482 CA THR A 92 -17.730 26.182 24.081 1.00 1.00 C ATOM 1483 C THR A 92 -18.894 25.839 24.979 1.00 1.00 C ATOM 1484 O THR A 92 -19.295 24.681 25.090 1.00 1.00 O ATOM 1485 CB THR A 92 -18.250 26.398 22.663 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.160 26.745 21.822 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.248 27.562 22.570 1.00 1.00 C ATOM 0 H THR A 92 -17.012 24.250 23.747 1.00 1.00 H new ATOM 0 HA THR A 92 -17.250 27.106 24.405 1.00 1.00 H new ATOM 0 HB THR A 92 -18.743 25.473 22.366 1.00 1.00 H new ATOM 0 HG1 THR A 92 -16.788 27.606 22.107 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.585 27.671 21.539 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.105 27.359 23.213 1.00 1.00 H new ATOM 0 HG23 THR A 92 -18.763 28.484 22.892 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.452 26.852 25.667 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.648 26.740 26.479 1.00 1.00 C ATOM 1497 C VAL A 93 -21.719 27.628 25.865 1.00 1.00 C ATOM 1498 O VAL A 93 -21.636 28.858 25.885 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.405 27.162 27.923 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.689 26.985 28.756 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.274 26.299 28.512 1.00 1.00 C ATOM 0 H VAL A 93 -19.061 27.794 25.664 1.00 1.00 H new ATOM 0 HA VAL A 93 -20.960 25.696 26.497 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.120 28.214 27.950 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.500 27.290 29.785 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.484 27.601 28.335 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.993 25.938 28.738 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.092 26.593 29.546 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.563 25.249 28.479 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.365 26.443 27.929 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.767 27.006 25.289 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.853 27.655 24.578 1.00 1.00 C ATOM 1513 C ARG A 94 -24.611 28.669 25.426 1.00 1.00 C ATOM 1514 O ARG A 94 -25.073 28.371 26.529 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.860 26.583 24.086 1.00 1.00 C ATOM 1516 CG ARG A 94 -25.925 27.083 23.091 1.00 1.00 C ATOM 1517 CD ARG A 94 -26.991 26.020 22.787 1.00 1.00 C ATOM 1518 NE ARG A 94 -27.678 26.415 21.522 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.630 27.348 21.391 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -29.280 27.897 22.403 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -28.883 27.753 20.151 1.00 1.00 N ATOM 0 H ARG A 94 -22.871 25.992 25.316 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.399 28.194 23.747 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.302 25.773 23.617 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.367 26.161 24.953 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.408 27.972 23.497 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.438 27.381 22.162 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.532 25.037 22.682 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.707 25.951 23.606 1.00 1.00 H new ATOM 0 HE ARG A 94 -27.394 25.926 20.673 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -29.067 27.614 23.360 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -29.994 28.603 22.227 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -28.364 27.355 19.369 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -29.597 28.462 19.982 1.00 1.00 H new ATOM 1535 N GLY A 95 -24.751 29.910 24.917 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.468 30.994 25.569 1.00 1.00 C ATOM 1537 C GLY A 95 -24.672 31.708 26.625 1.00 1.00 C ATOM 1538 O GLY A 95 -25.205 32.595 27.292 1.00 1.00 O ATOM 0 H GLY A 95 -24.353 30.180 24.017 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -25.779 31.716 24.814 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.376 30.595 26.021 1.00 1.00 H new ATOM 1542 N THR A 96 -23.385 31.353 26.812 1.00 1.00 N ATOM 1543 CA THR A 96 -22.595 31.857 27.934 1.00 1.00 C ATOM 1544 C THR A 96 -21.182 32.190 27.517 1.00 1.00 C ATOM 1545 O THR A 96 -20.752 33.340 27.610 1.00 1.00 O ATOM 1546 CB THR A 96 -22.538 30.877 29.104 1.00 1.00 C ATOM 1547 OG1 THR A 96 -23.849 30.627 29.591 1.00 1.00 O ATOM 1548 CG2 THR A 96 -21.752 31.442 30.297 1.00 1.00 C ATOM 0 H THR A 96 -22.878 30.718 26.195 1.00 1.00 H new ATOM 0 HA THR A 96 -23.106 32.762 28.262 1.00 1.00 H new ATOM 0 HB THR A 96 -22.054 29.978 28.723 1.00 1.00 H new ATOM 0 HG1 THR A 96 -23.805 29.997 30.340 1.00 1.00 H new ATOM 0 HG21 THR A 96 -21.739 30.709 31.104 1.00 1.00 H new ATOM 0 HG22 THR A 96 -20.730 31.660 29.989 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.229 32.358 30.646 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.376 31.209 27.066 1.00 1.00 N ATOM 1557 CA GLY A 97 -18.967 31.491 26.827 1.00 1.00 C ATOM 1558 C GLY A 97 -18.151 30.263 26.567 1.00 1.00 C ATOM 1559 O GLY A 97 -18.498 29.443 25.724 1.00 1.00 O ATOM 0 H GLY A 97 -20.671 30.253 26.869 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -18.878 32.164 25.975 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -18.557 32.015 27.691 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.007 30.118 27.261 1.00 1.00 N ATOM 1564 CA TYR A 98 -15.992 29.153 26.871 1.00 1.00 C ATOM 1565 C TYR A 98 -15.282 28.567 28.093 1.00 1.00 C ATOM 1566 O TYR A 98 -15.391 29.069 29.212 1.00 1.00 O ATOM 1567 CB TYR A 98 -14.935 29.774 25.905 1.00 1.00 C ATOM 1568 CG TYR A 98 -15.556 30.351 24.652 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -15.907 29.520 23.572 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -15.800 31.732 24.542 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -16.488 30.063 22.414 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.362 32.272 23.374 1.00 1.00 C ATOM 1573 CZ TYR A 98 -16.698 31.433 22.308 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.242 31.958 21.118 1.00 1.00 O ATOM 0 H TYR A 98 -16.773 30.661 28.092 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.514 28.354 26.344 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.387 30.558 26.428 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.210 29.009 25.627 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -15.728 28.457 23.634 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.552 32.385 25.366 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -16.773 29.412 21.601 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.535 33.336 23.299 1.00 1.00 H new ATOM 0 HH TYR A 98 -17.828 31.290 20.704 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.552 27.450 27.894 1.00 1.00 N ATOM 1585 CA ARG A 99 -13.907 26.681 28.947 1.00 1.00 C ATOM 1586 C ARG A 99 -12.632 26.052 28.393 1.00 1.00 C ATOM 1587 O ARG A 99 -12.584 25.668 27.228 1.00 1.00 O ATOM 1588 CB ARG A 99 -14.884 25.562 29.404 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.366 24.561 30.459 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.400 23.473 30.779 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.819 22.568 31.823 1.00 1.00 N ATOM 1592 CZ ARG A 99 -14.233 21.389 31.591 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -14.021 20.915 30.369 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -13.847 20.611 32.598 1.00 1.00 N ATOM 0 H ARG A 99 -14.398 27.058 26.965 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.655 27.323 29.791 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.781 26.038 29.801 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.187 24.997 28.522 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.450 24.095 30.097 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.110 25.098 31.373 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.326 23.922 31.138 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.647 22.908 29.881 1.00 1.00 H new ATOM 0 HE ARG A 99 -14.876 22.878 32.793 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -14.310 21.457 29.555 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -13.569 20.009 30.245 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -13.997 20.912 33.561 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -13.401 19.714 32.407 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.558 25.915 29.200 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.329 25.260 28.785 1.00 1.00 C ATOM 1610 C PHE A 100 -10.078 24.041 29.653 1.00 1.00 C ATOM 1611 O PHE A 100 -10.404 24.022 30.836 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.131 26.245 28.853 1.00 1.00 C ATOM 1613 CG PHE A 100 -7.870 25.693 28.235 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.861 25.276 26.893 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.687 25.588 28.985 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.698 24.759 26.309 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.520 25.073 28.404 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.525 24.662 27.065 1.00 1.00 C ATOM 0 H PHE A 100 -11.533 26.262 30.159 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.434 24.936 27.750 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.401 27.171 28.345 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -8.936 26.498 29.895 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.763 25.355 26.304 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -6.677 25.906 30.017 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.707 24.436 25.278 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.616 24.993 28.989 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.624 24.270 26.617 1.00 1.00 H new ATOM 1628 N SER A 101 -9.510 22.961 29.086 1.00 1.00 N ATOM 1629 CA SER A 101 -9.248 21.751 29.850 1.00 1.00 C ATOM 1630 C SER A 101 -7.918 21.128 29.472 1.00 1.00 C ATOM 1631 O SER A 101 -7.317 21.434 28.444 1.00 1.00 O ATOM 1632 CB SER A 101 -10.385 20.705 29.680 1.00 1.00 C ATOM 1633 OG SER A 101 -10.291 19.641 30.633 1.00 1.00 O ATOM 0 H SER A 101 -9.229 22.912 28.107 1.00 1.00 H new ATOM 0 HA SER A 101 -9.207 22.050 30.897 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.350 21.200 29.786 1.00 1.00 H new ATOM 0 HB3 SER A 101 -10.348 20.292 28.672 1.00 1.00 H new ATOM 0 HG SER A 101 -11.026 19.008 30.491 1.00 1.00 H new ATOM 1639 N THR A 102 -7.416 20.220 30.327 1.00 1.00 N ATOM 1640 CA THR A 102 -6.272 19.359 30.041 1.00 1.00 C ATOM 1641 C THR A 102 -6.754 17.942 29.828 1.00 1.00 C ATOM 1642 O THR A 102 -5.983 17.039 29.516 1.00 1.00 O ATOM 1643 CB THR A 102 -5.231 19.344 31.157 1.00 1.00 C ATOM 1644 OG1 THR A 102 -5.802 19.048 32.430 1.00 1.00 O ATOM 1645 CG2 THR A 102 -4.604 20.741 31.247 1.00 1.00 C ATOM 0 H THR A 102 -7.809 20.067 31.256 1.00 1.00 H new ATOM 0 HA THR A 102 -5.795 19.765 29.149 1.00 1.00 H new ATOM 0 HB THR A 102 -4.501 18.571 30.918 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.098 19.048 33.112 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.856 20.754 32.040 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.131 20.989 30.297 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.379 21.474 31.469 1.00 1.00 H new