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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.66 K(o=0.66,f=-3.6!) USER MOD Set 3.1: A 43 THR OG1 : rot -69:sc= 1.17 USER MOD Set 3.2: A 44 HIS : no HD1:sc= -0.278 X(o=0.89,f=1.2) USER MOD Set 3.3: A 49 TYR OH : rot 30:sc=-0.000923 USER MOD Single : A 9 MET CE :methyl -165:sc= 0 (180deg=-0.301) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00781 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -33:sc= 0.123 USER MOD Single : A 19 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 156:sc= -0.0703 (180deg=-0.661) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= -0.0094 (180deg=-0.0695) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 175:sc= -0.0542 (180deg=-0.0773) USER MOD Single : A 56 ASN : amide:sc= 0.998 K(o=1,f=-3.1!) USER MOD Single : A 57 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.15) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 93:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-6.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : +bothHN:sc= 1.11 K(o=1.1,f=-8.9!) USER MOD Single : A 89 MET CE :methyl 164:sc= -0.194 (180deg=-0.501) USER MOD Single : A 91 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.52) USER MOD Single : A 92 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.373 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.462 30.056 32.469 1.00 1.00 N ATOM 77 CA VAL A 6 6.800 29.114 31.565 1.00 1.00 C ATOM 78 C VAL A 6 5.713 28.212 32.170 1.00 1.00 C ATOM 79 O VAL A 6 5.844 27.663 33.268 1.00 1.00 O ATOM 80 CB VAL A 6 7.839 28.287 30.794 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.726 27.467 31.754 1.00 1.00 C ATOM 82 CG2 VAL A 6 7.221 27.379 29.709 1.00 1.00 C ATOM 0 HA VAL A 6 6.238 29.756 30.887 1.00 1.00 H new ATOM 0 HB VAL A 6 8.464 29.010 30.269 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.451 26.892 31.178 1.00 1.00 H new ATOM 0 HG12 VAL A 6 9.252 28.142 32.429 1.00 1.00 H new ATOM 0 HG13 VAL A 6 8.102 26.787 32.334 1.00 1.00 H new ATOM 0 HG21 VAL A 6 8.012 26.824 29.205 1.00 1.00 H new ATOM 0 HG22 VAL A 6 6.526 26.679 30.173 1.00 1.00 H new ATOM 0 HG23 VAL A 6 6.688 27.992 28.982 1.00 1.00 H new ATOM 92 N ILE A 7 4.594 28.034 31.443 1.00 1.00 N ATOM 93 CA ILE A 7 3.527 27.108 31.798 1.00 1.00 C ATOM 94 C ILE A 7 3.593 25.978 30.791 1.00 1.00 C ATOM 95 O ILE A 7 3.534 26.224 29.589 1.00 1.00 O ATOM 96 CB ILE A 7 2.136 27.744 31.722 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.055 28.999 32.626 1.00 1.00 C ATOM 98 CG2 ILE A 7 1.055 26.704 32.110 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.715 29.737 32.522 1.00 1.00 C ATOM 0 H ILE A 7 4.413 28.544 30.578 1.00 1.00 H new ATOM 0 HA ILE A 7 3.669 26.780 32.828 1.00 1.00 H new ATOM 0 HB ILE A 7 1.952 28.065 30.697 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.219 28.703 33.662 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.860 29.683 32.359 1.00 1.00 H new ATOM 0 HG21 ILE A 7 0.069 27.165 32.053 1.00 1.00 H new ATOM 0 HG22 ILE A 7 1.100 25.859 31.423 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.234 26.355 33.127 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.726 30.606 33.181 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.558 30.063 31.494 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.093 29.068 32.818 1.00 1.00 H new ATOM 111 N GLU A 8 3.735 24.712 31.239 1.00 1.00 N ATOM 112 CA GLU A 8 3.759 23.569 30.343 1.00 1.00 C ATOM 113 C GLU A 8 2.755 22.520 30.775 1.00 1.00 C ATOM 114 O GLU A 8 2.853 21.934 31.853 1.00 1.00 O ATOM 115 CB GLU A 8 5.164 22.934 30.265 1.00 1.00 C ATOM 116 CG GLU A 8 5.250 21.768 29.250 1.00 1.00 C ATOM 117 CD GLU A 8 6.665 21.261 29.115 1.00 1.00 C ATOM 118 OE1 GLU A 8 7.231 20.738 30.110 1.00 1.00 O ATOM 119 OE2 GLU A 8 7.247 21.396 28.003 1.00 1.00 O ATOM 0 H GLU A 8 3.834 24.470 32.225 1.00 1.00 H new ATOM 0 HA GLU A 8 3.491 23.937 29.353 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.888 23.701 29.990 1.00 1.00 H new ATOM 0 HB3 GLU A 8 5.446 22.569 31.253 1.00 1.00 H new ATOM 0 HG2 GLU A 8 4.599 20.955 29.571 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.887 22.102 28.278 1.00 1.00 H new ATOM 126 N MET A 9 1.754 22.234 29.927 1.00 1.00 N ATOM 127 CA MET A 9 0.668 21.332 30.270 1.00 1.00 C ATOM 128 C MET A 9 0.197 20.599 29.027 1.00 1.00 C ATOM 129 O MET A 9 0.036 21.197 27.965 1.00 1.00 O ATOM 130 CB MET A 9 -0.505 22.110 30.934 1.00 1.00 C ATOM 131 CG MET A 9 -1.128 23.214 30.050 1.00 1.00 C ATOM 132 SD MET A 9 -2.121 24.458 30.933 1.00 1.00 S ATOM 133 CE MET A 9 -3.451 23.353 31.472 1.00 1.00 C ATOM 0 H MET A 9 1.684 22.626 28.988 1.00 1.00 H new ATOM 0 HA MET A 9 1.031 20.600 30.991 1.00 1.00 H new ATOM 0 HB2 MET A 9 -1.285 21.400 31.209 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.146 22.563 31.858 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.325 23.726 29.519 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.757 22.740 29.297 1.00 1.00 H new ATOM 0 HE1 MET A 9 -4.304 23.945 31.804 1.00 1.00 H new ATOM 0 HE2 MET A 9 -3.753 22.715 30.641 1.00 1.00 H new ATOM 0 HE3 MET A 9 -3.097 22.733 32.296 1.00 1.00 H new ATOM 143 N GLN A 10 -0.007 19.262 29.110 1.00 1.00 N ATOM 144 CA GLN A 10 -0.508 18.421 28.025 1.00 1.00 C ATOM 145 C GLN A 10 0.163 18.614 26.660 1.00 1.00 C ATOM 146 O GLN A 10 -0.488 18.714 25.622 1.00 1.00 O ATOM 147 CB GLN A 10 -2.056 18.496 27.931 1.00 1.00 C ATOM 148 CG GLN A 10 -2.789 17.745 29.073 1.00 1.00 C ATOM 149 CD GLN A 10 -2.741 16.225 28.887 1.00 1.00 C ATOM 150 OE1 GLN A 10 -2.273 15.707 27.867 1.00 1.00 O ATOM 151 NE2 GLN A 10 -3.256 15.469 29.880 1.00 1.00 N ATOM 0 H GLN A 10 0.182 18.736 29.963 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.216 17.409 28.306 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.361 19.542 27.942 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.373 18.082 26.974 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -2.335 18.007 30.029 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.828 18.072 29.113 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -3.638 15.914 30.714 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -3.263 14.453 29.796 1.00 1.00 H new ATOM 160 N GLY A 11 1.509 18.684 26.622 1.00 1.00 N ATOM 161 CA GLY A 11 2.262 18.871 25.383 1.00 1.00 C ATOM 162 C GLY A 11 2.291 20.280 24.835 1.00 1.00 C ATOM 163 O GLY A 11 2.796 20.502 23.739 1.00 1.00 O ATOM 0 H GLY A 11 2.096 18.612 27.453 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.289 18.546 25.552 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.841 18.214 24.622 1.00 1.00 H new ATOM 167 N LEU A 12 1.743 21.270 25.561 1.00 1.00 N ATOM 168 CA LEU A 12 1.689 22.657 25.140 1.00 1.00 C ATOM 169 C LEU A 12 2.452 23.508 26.139 1.00 1.00 C ATOM 170 O LEU A 12 2.214 23.430 27.344 1.00 1.00 O ATOM 171 CB LEU A 12 0.210 23.129 25.087 1.00 1.00 C ATOM 172 CG LEU A 12 -0.046 24.532 24.495 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.245 24.588 22.988 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.497 24.963 24.760 1.00 1.00 C ATOM 0 H LEU A 12 1.319 21.111 26.475 1.00 1.00 H new ATOM 0 HA LEU A 12 2.135 22.756 24.150 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.358 22.404 24.504 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.191 23.108 26.100 1.00 1.00 H new ATOM 0 HG LEU A 12 0.639 25.220 24.990 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.050 25.594 22.617 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.289 24.331 22.809 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.398 23.879 22.467 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.665 25.954 24.338 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.179 24.250 24.296 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.678 24.991 25.835 1.00 1.00 H new ATOM 186 N SER A 13 3.404 24.341 25.672 1.00 1.00 N ATOM 187 CA SER A 13 4.216 25.190 26.531 1.00 1.00 C ATOM 188 C SER A 13 4.126 26.652 26.138 1.00 1.00 C ATOM 189 O SER A 13 4.310 27.039 24.984 1.00 1.00 O ATOM 190 CB SER A 13 5.710 24.765 26.625 1.00 1.00 C ATOM 191 OG SER A 13 6.385 24.812 25.363 1.00 1.00 O ATOM 0 H SER A 13 3.623 24.435 24.680 1.00 1.00 H new ATOM 0 HA SER A 13 3.785 25.055 27.523 1.00 1.00 H new ATOM 0 HB2 SER A 13 6.224 25.418 27.330 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.770 23.753 27.025 1.00 1.00 H new ATOM 0 HG SER A 13 7.318 24.537 25.481 1.00 1.00 H new ATOM 197 N LEU A 14 3.835 27.529 27.112 1.00 1.00 N ATOM 198 CA LEU A 14 3.684 28.956 26.908 1.00 1.00 C ATOM 199 C LEU A 14 4.614 29.692 27.848 1.00 1.00 C ATOM 200 O LEU A 14 4.595 29.474 29.057 1.00 1.00 O ATOM 201 CB LEU A 14 2.209 29.360 27.145 1.00 1.00 C ATOM 202 CG LEU A 14 1.838 30.855 27.004 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.357 30.981 26.638 1.00 1.00 C ATOM 204 CD2 LEU A 14 2.066 31.682 28.279 1.00 1.00 C ATOM 0 H LEU A 14 3.697 27.246 28.082 1.00 1.00 H new ATOM 0 HA LEU A 14 3.946 29.221 25.884 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.591 28.795 26.448 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.931 29.040 28.149 1.00 1.00 H new ATOM 0 HG LEU A 14 2.496 31.248 26.229 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.095 32.034 26.539 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.171 30.470 25.693 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.251 30.528 27.421 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.782 32.718 28.096 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.459 31.277 29.089 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.119 31.638 28.558 1.00 1.00 H new ATOM 216 N ASP A 15 5.459 30.594 27.318 1.00 1.00 N ATOM 217 CA ASP A 15 6.409 31.370 28.088 1.00 1.00 C ATOM 218 C ASP A 15 5.943 32.828 28.102 1.00 1.00 C ATOM 219 O ASP A 15 5.977 33.481 27.051 1.00 1.00 O ATOM 220 CB ASP A 15 7.811 31.208 27.445 1.00 1.00 C ATOM 221 CG ASP A 15 8.940 31.789 28.261 1.00 1.00 C ATOM 222 OD1 ASP A 15 9.068 33.039 28.341 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.718 31.001 28.855 1.00 1.00 O ATOM 0 H ASP A 15 5.490 30.798 26.319 1.00 1.00 H new ATOM 0 HA ASP A 15 6.471 31.026 29.120 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.003 30.147 27.284 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.805 31.684 26.464 1.00 1.00 H new ATOM 228 N PRO A 16 5.491 33.392 29.232 1.00 1.00 N ATOM 229 CA PRO A 16 5.005 34.767 29.287 1.00 1.00 C ATOM 230 C PRO A 16 6.084 35.795 29.038 1.00 1.00 C ATOM 231 O PRO A 16 5.773 36.890 28.574 1.00 1.00 O ATOM 232 CB PRO A 16 4.421 34.910 30.703 1.00 1.00 C ATOM 233 CG PRO A 16 4.015 33.487 31.084 1.00 1.00 C ATOM 234 CD PRO A 16 5.123 32.652 30.448 1.00 1.00 C ATOM 0 HA PRO A 16 4.274 34.952 28.500 1.00 1.00 H new ATOM 0 HB2 PRO A 16 5.156 35.314 31.399 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.566 35.585 30.715 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.973 33.352 32.165 1.00 1.00 H new ATOM 0 HG3 PRO A 16 3.032 33.225 30.692 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.974 32.545 31.120 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.776 31.646 30.211 1.00 1.00 H new ATOM 242 N THR A 17 7.355 35.497 29.374 1.00 1.00 N ATOM 243 CA THR A 17 8.451 36.456 29.213 1.00 1.00 C ATOM 244 C THR A 17 8.802 36.644 27.754 1.00 1.00 C ATOM 245 O THR A 17 8.957 37.758 27.260 1.00 1.00 O ATOM 246 CB THR A 17 9.736 36.081 29.947 1.00 1.00 C ATOM 247 OG1 THR A 17 9.477 35.797 31.312 1.00 1.00 O ATOM 248 CG2 THR A 17 10.728 37.251 29.946 1.00 1.00 C ATOM 0 H THR A 17 7.642 34.597 29.759 1.00 1.00 H new ATOM 0 HA THR A 17 8.065 37.374 29.656 1.00 1.00 H new ATOM 0 HB THR A 17 10.142 35.212 29.430 1.00 1.00 H new ATOM 0 HG1 THR A 17 10.315 35.558 31.761 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.635 36.959 30.475 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.976 37.517 28.918 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.278 38.110 30.444 1.00 1.00 H new ATOM 256 N SER A 18 8.905 35.540 26.992 1.00 1.00 N ATOM 257 CA SER A 18 9.354 35.602 25.605 1.00 1.00 C ATOM 258 C SER A 18 8.203 35.799 24.627 1.00 1.00 C ATOM 259 O SER A 18 8.407 36.067 23.441 1.00 1.00 O ATOM 260 CB SER A 18 10.116 34.303 25.228 1.00 1.00 C ATOM 261 OG SER A 18 10.860 34.463 24.019 1.00 1.00 O ATOM 0 H SER A 18 8.682 34.600 27.320 1.00 1.00 H new ATOM 0 HA SER A 18 10.014 36.466 25.529 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.792 34.028 26.038 1.00 1.00 H new ATOM 0 HB3 SER A 18 9.406 33.484 25.114 1.00 1.00 H new ATOM 0 HG SER A 18 10.385 35.078 23.422 1.00 1.00 H new ATOM 267 N HIS A 19 6.947 35.683 25.118 1.00 1.00 N ATOM 268 CA HIS A 19 5.721 35.686 24.323 1.00 1.00 C ATOM 269 C HIS A 19 5.685 34.524 23.345 1.00 1.00 C ATOM 270 O HIS A 19 5.365 34.680 22.171 1.00 1.00 O ATOM 271 CB HIS A 19 5.439 37.014 23.571 1.00 1.00 C ATOM 272 CG HIS A 19 5.405 38.231 24.451 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.516 39.488 23.927 1.00 1.00 N ATOM 274 CD2 HIS A 19 5.123 38.380 25.766 1.00 1.00 C ATOM 275 CE1 HIS A 19 5.316 40.380 24.882 1.00 1.00 C ATOM 276 NE2 HIS A 19 5.075 39.728 26.006 1.00 1.00 N ATOM 0 H HIS A 19 6.765 35.582 26.117 1.00 1.00 H new ATOM 0 HA HIS A 19 4.924 35.574 25.058 1.00 1.00 H new ATOM 0 HB2 HIS A 19 6.204 37.154 22.807 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.484 36.928 23.053 1.00 1.00 H new ATOM 0 HD2 HIS A 19 4.966 37.590 26.486 1.00 1.00 H new ATOM 0 HE1 HIS A 19 5.345 41.453 24.764 1.00 1.00 H new ATOM 0 HE2 HIS A 19 4.883 40.160 26.910 1.00 1.00 H new ATOM 285 N ARG A 20 6.048 33.321 23.821 1.00 1.00 N ATOM 286 CA ARG A 20 6.350 32.195 22.964 1.00 1.00 C ATOM 287 C ARG A 20 5.480 30.998 23.302 1.00 1.00 C ATOM 288 O ARG A 20 5.488 30.500 24.431 1.00 1.00 O ATOM 289 CB ARG A 20 7.839 31.829 23.160 1.00 1.00 C ATOM 290 CG ARG A 20 8.428 30.765 22.215 1.00 1.00 C ATOM 291 CD ARG A 20 8.609 31.233 20.763 1.00 1.00 C ATOM 292 NE ARG A 20 9.625 30.317 20.154 1.00 1.00 N ATOM 293 CZ ARG A 20 9.981 30.326 18.864 1.00 1.00 C ATOM 294 NH1 ARG A 20 9.339 31.028 17.936 1.00 1.00 N ATOM 295 NH2 ARG A 20 11.025 29.601 18.460 1.00 1.00 N ATOM 0 H ARG A 20 6.136 33.116 24.816 1.00 1.00 H new ATOM 0 HA ARG A 20 6.150 32.467 21.928 1.00 1.00 H new ATOM 0 HB2 ARG A 20 8.428 32.740 23.054 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.970 31.482 24.185 1.00 1.00 H new ATOM 0 HG2 ARG A 20 9.395 30.447 22.604 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.778 29.890 22.223 1.00 1.00 H new ATOM 0 HD2 ARG A 20 7.666 31.186 20.218 1.00 1.00 H new ATOM 0 HD3 ARG A 20 8.947 32.269 20.727 1.00 1.00 H new ATOM 0 HE ARG A 20 10.078 29.638 20.766 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.532 31.596 18.194 1.00 1.00 H new ATOM 0 HH12 ARG A 20 9.653 30.999 16.966 1.00 1.00 H new ATOM 0 HH21 ARG A 20 11.549 29.042 19.133 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.299 29.605 17.478 1.00 1.00 H new ATOM 309 N VAL A 21 4.717 30.495 22.314 1.00 1.00 N ATOM 310 CA VAL A 21 3.838 29.345 22.458 1.00 1.00 C ATOM 311 C VAL A 21 4.425 28.226 21.620 1.00 1.00 C ATOM 312 O VAL A 21 4.752 28.415 20.450 1.00 1.00 O ATOM 313 CB VAL A 21 2.415 29.611 21.957 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.505 28.394 22.229 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.843 30.854 22.661 1.00 1.00 C ATOM 0 H VAL A 21 4.702 30.894 21.376 1.00 1.00 H new ATOM 0 HA VAL A 21 3.770 29.100 23.518 1.00 1.00 H new ATOM 0 HB VAL A 21 2.451 29.784 20.881 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.499 28.604 21.866 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.902 27.520 21.713 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.470 28.198 23.301 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.831 31.041 22.303 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.822 30.685 23.738 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.471 31.718 22.442 1.00 1.00 H new ATOM 325 N MET A 22 4.594 27.025 22.195 1.00 1.00 N ATOM 326 CA MET A 22 5.128 25.881 21.489 1.00 1.00 C ATOM 327 C MET A 22 4.285 24.666 21.815 1.00 1.00 C ATOM 328 O MET A 22 3.769 24.522 22.919 1.00 1.00 O ATOM 329 CB MET A 22 6.611 25.589 21.853 1.00 1.00 C ATOM 330 CG MET A 22 7.533 26.825 21.783 1.00 1.00 C ATOM 331 SD MET A 22 9.289 26.472 22.092 1.00 1.00 S ATOM 332 CE MET A 22 9.687 26.045 20.374 1.00 1.00 C ATOM 0 H MET A 22 4.359 26.833 23.169 1.00 1.00 H new ATOM 0 HA MET A 22 5.096 26.108 20.423 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.652 25.175 22.861 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.995 24.824 21.179 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.435 27.281 20.798 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.190 27.561 22.510 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.742 25.782 20.299 1.00 1.00 H new ATOM 0 HE2 MET A 22 9.079 25.197 20.060 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.479 26.899 19.729 1.00 1.00 H new ATOM 342 N ALA A 23 4.110 23.755 20.845 1.00 1.00 N ATOM 343 CA ALA A 23 3.404 22.508 21.044 1.00 1.00 C ATOM 344 C ALA A 23 4.349 21.388 20.666 1.00 1.00 C ATOM 345 O ALA A 23 4.861 21.341 19.546 1.00 1.00 O ATOM 346 CB ALA A 23 2.125 22.447 20.186 1.00 1.00 C ATOM 0 H ALA A 23 4.463 23.877 19.896 1.00 1.00 H new ATOM 0 HA ALA A 23 3.092 22.417 22.085 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.617 21.498 20.358 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.463 23.268 20.461 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.390 22.531 19.132 1.00 1.00 H new ATOM 352 N GLY A 24 4.659 20.480 21.613 1.00 1.00 N ATOM 353 CA GLY A 24 5.625 19.399 21.423 1.00 1.00 C ATOM 354 C GLY A 24 7.033 19.862 21.136 1.00 1.00 C ATOM 355 O GLY A 24 7.775 19.185 20.425 1.00 1.00 O ATOM 0 H GLY A 24 4.235 20.484 22.541 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.636 18.777 22.318 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.288 18.768 20.600 1.00 1.00 H new ATOM 359 N GLU A 25 7.410 21.047 21.658 1.00 1.00 N ATOM 360 CA GLU A 25 8.660 21.753 21.407 1.00 1.00 C ATOM 361 C GLU A 25 8.852 22.186 19.953 1.00 1.00 C ATOM 362 O GLU A 25 9.966 22.252 19.428 1.00 1.00 O ATOM 363 CB GLU A 25 9.901 21.005 21.961 1.00 1.00 C ATOM 364 CG GLU A 25 9.792 20.644 23.463 1.00 1.00 C ATOM 365 CD GLU A 25 9.820 21.852 24.375 1.00 1.00 C ATOM 366 OE1 GLU A 25 10.854 22.569 24.414 1.00 1.00 O ATOM 367 OE2 GLU A 25 8.845 22.076 25.138 1.00 1.00 O ATOM 0 H GLU A 25 6.807 21.558 22.303 1.00 1.00 H new ATOM 0 HA GLU A 25 8.568 22.677 21.977 1.00 1.00 H new ATOM 0 HB2 GLU A 25 10.049 20.091 21.387 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.785 21.624 21.809 1.00 1.00 H new ATOM 0 HG2 GLU A 25 8.867 20.093 23.630 1.00 1.00 H new ATOM 0 HG3 GLU A 25 10.612 19.978 23.729 1.00 1.00 H new ATOM 374 N GLU A 26 7.746 22.553 19.282 1.00 1.00 N ATOM 375 CA GLU A 26 7.732 23.151 17.961 1.00 1.00 C ATOM 376 C GLU A 26 6.840 24.387 18.033 1.00 1.00 C ATOM 377 O GLU A 26 5.738 24.273 18.580 1.00 1.00 O ATOM 378 CB GLU A 26 7.169 22.142 16.933 1.00 1.00 C ATOM 379 CG GLU A 26 7.073 22.672 15.484 1.00 1.00 C ATOM 380 CD GLU A 26 6.641 21.576 14.535 1.00 1.00 C ATOM 381 OE1 GLU A 26 7.437 20.618 14.329 1.00 1.00 O ATOM 382 OE2 GLU A 26 5.521 21.652 13.968 1.00 1.00 O ATOM 0 H GLU A 26 6.810 22.431 19.670 1.00 1.00 H new ATOM 0 HA GLU A 26 8.739 23.424 17.646 1.00 1.00 H new ATOM 0 HB2 GLU A 26 7.798 21.252 16.938 1.00 1.00 H new ATOM 0 HB3 GLU A 26 6.176 21.832 17.257 1.00 1.00 H new ATOM 0 HG2 GLU A 26 6.362 23.497 15.441 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.040 23.068 15.173 1.00 1.00 H new ATOM 389 N PRO A 27 7.221 25.580 17.580 1.00 1.00 N ATOM 390 CA PRO A 27 6.477 26.810 17.850 1.00 1.00 C ATOM 391 C PRO A 27 5.115 26.904 17.176 1.00 1.00 C ATOM 392 O PRO A 27 4.862 26.266 16.153 1.00 1.00 O ATOM 393 CB PRO A 27 7.422 27.921 17.369 1.00 1.00 C ATOM 394 CG PRO A 27 8.268 27.256 16.282 1.00 1.00 C ATOM 395 CD PRO A 27 8.437 25.832 16.801 1.00 1.00 C ATOM 0 HA PRO A 27 6.219 26.873 18.907 1.00 1.00 H new ATOM 0 HB2 PRO A 27 6.867 28.772 16.975 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.043 28.295 18.183 1.00 1.00 H new ATOM 0 HG2 PRO A 27 7.768 27.276 15.313 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.228 27.756 16.156 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.539 25.120 15.982 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.331 25.738 17.418 1.00 1.00 H new ATOM 403 N LEU A 28 4.218 27.713 17.760 1.00 1.00 N ATOM 404 CA LEU A 28 2.957 28.126 17.180 1.00 1.00 C ATOM 405 C LEU A 28 2.947 29.637 17.195 1.00 1.00 C ATOM 406 O LEU A 28 3.660 30.265 17.976 1.00 1.00 O ATOM 407 CB LEU A 28 1.734 27.627 17.986 1.00 1.00 C ATOM 408 CG LEU A 28 1.500 26.109 17.913 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.381 25.721 18.885 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.142 25.649 16.490 1.00 1.00 C ATOM 0 H LEU A 28 4.370 28.107 18.688 1.00 1.00 H new ATOM 0 HA LEU A 28 2.878 27.704 16.178 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.862 27.913 19.030 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.842 28.137 17.623 1.00 1.00 H new ATOM 0 HG LEU A 28 2.429 25.611 18.192 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.213 24.645 18.835 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.668 25.997 19.900 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.535 26.244 18.612 1.00 1.00 H new ATOM 0 HD21 LEU A 28 0.985 24.570 16.485 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.230 26.150 16.164 1.00 1.00 H new ATOM 0 HD23 LEU A 28 1.956 25.901 15.811 1.00 1.00 H new ATOM 422 N GLU A 29 2.161 30.261 16.303 1.00 1.00 N ATOM 423 CA GLU A 29 2.245 31.695 16.075 1.00 1.00 C ATOM 424 C GLU A 29 0.886 32.356 16.214 1.00 1.00 C ATOM 425 O GLU A 29 -0.112 31.868 15.684 1.00 1.00 O ATOM 426 CB GLU A 29 2.849 32.010 14.683 1.00 1.00 C ATOM 427 CG GLU A 29 4.253 31.385 14.477 1.00 1.00 C ATOM 428 CD GLU A 29 4.922 31.914 13.227 1.00 1.00 C ATOM 429 OE1 GLU A 29 4.583 31.438 12.112 1.00 1.00 O ATOM 430 OE2 GLU A 29 5.777 32.838 13.344 1.00 1.00 O ATOM 0 H GLU A 29 1.462 29.786 15.732 1.00 1.00 H new ATOM 0 HA GLU A 29 2.907 32.103 16.839 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.176 31.641 13.909 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.916 33.091 14.558 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.878 31.600 15.344 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.163 30.301 14.411 1.00 1.00 H new ATOM 437 N MET A 30 0.805 33.481 16.950 1.00 1.00 N ATOM 438 CA MET A 30 -0.445 34.171 17.175 1.00 1.00 C ATOM 439 C MET A 30 -0.234 35.612 17.611 1.00 1.00 C ATOM 440 O MET A 30 0.826 35.999 18.109 1.00 1.00 O ATOM 441 CB MET A 30 -1.319 33.444 18.228 1.00 1.00 C ATOM 442 CG MET A 30 -0.696 33.337 19.637 1.00 1.00 C ATOM 443 SD MET A 30 -1.640 32.290 20.786 1.00 1.00 S ATOM 444 CE MET A 30 -1.218 30.707 19.999 1.00 1.00 C ATOM 0 H MET A 30 1.609 33.922 17.396 1.00 1.00 H new ATOM 0 HA MET A 30 -0.965 34.169 16.217 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.273 33.966 18.308 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.535 32.439 17.866 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.315 32.940 19.547 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.609 34.337 20.061 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.311 29.902 20.728 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.896 30.522 19.166 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.193 30.746 19.630 1.00 1.00 H new ATOM 454 N GLY A 31 -1.267 36.457 17.417 1.00 1.00 N ATOM 455 CA GLY A 31 -1.284 37.845 17.861 1.00 1.00 C ATOM 456 C GLY A 31 -1.419 38.040 19.362 1.00 1.00 C ATOM 457 O GLY A 31 -1.649 37.086 20.109 1.00 1.00 O ATOM 0 H GLY A 31 -2.123 36.178 16.938 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.365 38.328 17.529 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.110 38.358 17.368 1.00 1.00 H new ATOM 461 N PRO A 32 -1.332 39.269 19.851 1.00 1.00 N ATOM 462 CA PRO A 32 -1.185 39.529 21.282 1.00 1.00 C ATOM 463 C PRO A 32 -2.496 39.410 22.042 1.00 1.00 C ATOM 464 O PRO A 32 -2.462 39.031 23.215 1.00 1.00 O ATOM 465 CB PRO A 32 -0.596 40.952 21.345 1.00 1.00 C ATOM 466 CG PRO A 32 -0.998 41.592 20.014 1.00 1.00 C ATOM 467 CD PRO A 32 -0.938 40.421 19.040 1.00 1.00 C ATOM 0 HA PRO A 32 -0.544 38.792 21.766 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -0.997 41.510 22.191 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.487 40.928 21.463 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.996 42.028 20.061 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.314 42.391 19.727 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.614 40.567 18.198 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.063 40.295 18.627 1.00 1.00 H new ATOM 475 N THR A 33 -3.666 39.714 21.436 1.00 1.00 N ATOM 476 CA THR A 33 -4.979 39.478 22.057 1.00 1.00 C ATOM 477 C THR A 33 -5.242 37.989 22.215 1.00 1.00 C ATOM 478 O THR A 33 -5.763 37.515 23.226 1.00 1.00 O ATOM 479 CB THR A 33 -6.151 40.120 21.313 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.892 41.497 21.085 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.446 40.063 22.138 1.00 1.00 C ATOM 0 H THR A 33 -3.721 40.128 20.506 1.00 1.00 H new ATOM 0 HA THR A 33 -4.922 39.962 23.032 1.00 1.00 H new ATOM 0 HB THR A 33 -6.265 39.566 20.381 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.648 41.897 20.607 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.256 40.529 21.577 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.700 39.023 22.346 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.303 40.596 23.078 1.00 1.00 H new ATOM 489 N GLU A 34 -4.844 37.193 21.202 1.00 1.00 N ATOM 490 CA GLU A 34 -4.902 35.737 21.198 1.00 1.00 C ATOM 491 C GLU A 34 -3.995 35.129 22.262 1.00 1.00 C ATOM 492 O GLU A 34 -4.404 34.242 23.009 1.00 1.00 O ATOM 493 CB GLU A 34 -4.566 35.188 19.780 1.00 1.00 C ATOM 494 CG GLU A 34 -5.769 35.063 18.794 1.00 1.00 C ATOM 495 CD GLU A 34 -6.614 36.313 18.603 1.00 1.00 C ATOM 496 OE1 GLU A 34 -7.288 36.728 19.576 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.667 36.879 17.479 1.00 1.00 O ATOM 0 H GLU A 34 -4.460 37.572 20.336 1.00 1.00 H new ATOM 0 HA GLU A 34 -5.920 35.440 21.449 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.817 35.838 19.328 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.109 34.205 19.891 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.384 34.758 17.821 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.418 34.261 19.146 1.00 1.00 H new ATOM 504 N PHE A 35 -2.752 35.645 22.406 1.00 1.00 N ATOM 505 CA PHE A 35 -1.826 35.247 23.456 1.00 1.00 C ATOM 506 C PHE A 35 -2.358 35.528 24.861 1.00 1.00 C ATOM 507 O PHE A 35 -2.300 34.669 25.740 1.00 1.00 O ATOM 508 CB PHE A 35 -0.463 35.968 23.247 1.00 1.00 C ATOM 509 CG PHE A 35 0.627 35.414 24.135 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.425 34.341 23.703 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.854 35.952 25.414 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.415 33.807 24.540 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.834 35.414 26.256 1.00 1.00 C ATOM 514 CZ PHE A 35 2.613 34.337 25.820 1.00 1.00 C ATOM 0 H PHE A 35 -2.373 36.357 21.781 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.699 34.167 23.381 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.161 35.872 22.204 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.584 37.033 23.447 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.274 33.924 22.718 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.264 36.792 25.751 1.00 1.00 H new ATOM 0 HE1 PHE A 35 3.026 32.985 24.196 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.989 35.830 27.241 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.366 33.915 26.470 1.00 1.00 H new ATOM 524 N LYS A 36 -2.931 36.724 25.109 1.00 1.00 N ATOM 525 CA LYS A 36 -3.503 37.066 26.403 1.00 1.00 C ATOM 526 C LYS A 36 -4.706 36.211 26.787 1.00 1.00 C ATOM 527 O LYS A 36 -4.820 35.746 27.920 1.00 1.00 O ATOM 528 CB LYS A 36 -3.834 38.573 26.488 1.00 1.00 C ATOM 529 CG LYS A 36 -4.175 39.048 27.914 1.00 1.00 C ATOM 530 CD LYS A 36 -4.053 40.575 28.058 1.00 1.00 C ATOM 531 CE LYS A 36 -4.396 41.142 29.445 1.00 1.00 C ATOM 532 NZ LYS A 36 -3.626 40.465 30.503 1.00 1.00 N ATOM 0 H LYS A 36 -3.004 37.467 24.414 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.732 36.839 27.139 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.984 39.145 26.117 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.676 38.790 25.830 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.190 38.740 28.166 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -3.509 38.562 28.627 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.032 40.865 27.809 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -4.706 41.044 27.322 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.185 42.211 29.466 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -5.463 41.024 29.636 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.801 40.935 31.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.921 39.470 30.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.612 40.512 30.278 1.00 1.00 H new ATOM 546 N LEU A 37 -5.614 35.920 25.830 1.00 1.00 N ATOM 547 CA LEU A 37 -6.711 34.986 26.041 1.00 1.00 C ATOM 548 C LEU A 37 -6.237 33.567 26.343 1.00 1.00 C ATOM 549 O LEU A 37 -6.724 32.913 27.265 1.00 1.00 O ATOM 550 CB LEU A 37 -7.649 34.980 24.810 1.00 1.00 C ATOM 551 CG LEU A 37 -8.920 34.109 24.933 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.797 34.514 26.126 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.741 34.174 23.637 1.00 1.00 C ATOM 0 H LEU A 37 -5.596 36.331 24.897 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.254 35.332 26.921 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.954 36.006 24.605 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.080 34.638 23.946 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.586 33.086 25.105 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.676 33.871 26.166 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.227 34.408 27.049 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.111 35.551 26.011 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.633 33.555 23.740 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -10.035 35.206 23.444 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.139 33.807 22.806 1.00 1.00 H new ATOM 565 N LEU A 38 -5.221 33.073 25.606 1.00 1.00 N ATOM 566 CA LEU A 38 -4.587 31.795 25.877 1.00 1.00 C ATOM 567 C LEU A 38 -3.902 31.738 27.239 1.00 1.00 C ATOM 568 O LEU A 38 -4.046 30.768 27.979 1.00 1.00 O ATOM 569 CB LEU A 38 -3.579 31.446 24.757 1.00 1.00 C ATOM 570 CG LEU A 38 -2.965 30.031 24.834 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.025 28.917 24.843 1.00 1.00 C ATOM 572 CD2 LEU A 38 -1.987 29.814 23.672 1.00 1.00 C ATOM 0 H LEU A 38 -4.825 33.563 24.804 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.385 31.053 25.899 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.079 31.554 23.795 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.770 32.176 24.779 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.433 29.971 25.783 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.532 27.946 24.898 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.677 29.042 25.707 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.618 28.972 23.930 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.561 28.813 23.737 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.517 29.922 22.726 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.188 30.553 23.726 1.00 1.00 H new ATOM 584 N HIS A 39 -3.182 32.806 27.640 1.00 1.00 N ATOM 585 CA HIS A 39 -2.583 32.938 28.961 1.00 1.00 C ATOM 586 C HIS A 39 -3.614 32.910 30.084 1.00 1.00 C ATOM 587 O HIS A 39 -3.438 32.226 31.095 1.00 1.00 O ATOM 588 CB HIS A 39 -1.758 34.246 29.066 1.00 1.00 C ATOM 589 CG HIS A 39 -0.972 34.390 30.339 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.651 35.656 30.801 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.460 33.444 31.170 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.047 35.450 31.905 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.189 34.132 32.170 1.00 1.00 N ATOM 0 H HIS A 39 -3.004 33.608 27.036 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.930 32.074 29.082 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.070 34.295 28.222 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.435 35.095 28.974 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.545 32.372 31.067 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.454 36.239 32.520 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.684 33.724 32.963 1.00 1.00 H new ATOM 601 N PHE A 40 -4.752 33.613 29.917 1.00 1.00 N ATOM 602 CA PHE A 40 -5.865 33.565 30.846 1.00 1.00 C ATOM 603 C PHE A 40 -6.482 32.166 30.963 1.00 1.00 C ATOM 604 O PHE A 40 -6.695 31.652 32.061 1.00 1.00 O ATOM 605 CB PHE A 40 -6.932 34.613 30.419 1.00 1.00 C ATOM 606 CG PHE A 40 -8.023 34.719 31.448 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.754 35.290 32.702 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.293 34.171 31.201 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.734 35.299 33.700 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.276 34.182 32.199 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.992 34.742 33.450 1.00 1.00 C ATOM 0 H PHE A 40 -4.912 34.231 29.122 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.485 33.808 31.838 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.458 35.585 30.284 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.360 34.331 29.457 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.785 35.725 32.897 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.513 33.739 30.236 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.519 35.736 34.664 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.251 33.759 32.004 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.746 34.744 34.223 1.00 1.00 H new ATOM 621 N PHE A 41 -6.732 31.480 29.831 1.00 1.00 N ATOM 622 CA PHE A 41 -7.205 30.106 29.834 1.00 1.00 C ATOM 623 C PHE A 41 -6.223 29.091 30.420 1.00 1.00 C ATOM 624 O PHE A 41 -6.608 28.244 31.220 1.00 1.00 O ATOM 625 CB PHE A 41 -7.625 29.668 28.405 1.00 1.00 C ATOM 626 CG PHE A 41 -9.004 30.154 28.021 1.00 1.00 C ATOM 627 CD1 PHE A 41 -10.117 30.006 28.875 1.00 1.00 C ATOM 628 CD2 PHE A 41 -9.213 30.684 26.738 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.398 30.395 28.463 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.494 31.066 26.318 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.585 30.929 27.182 1.00 1.00 C ATOM 0 H PHE A 41 -6.608 31.872 28.898 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.067 30.106 30.501 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.899 30.047 27.686 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.598 28.580 28.341 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.979 29.587 29.861 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -8.375 30.799 26.066 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.239 30.283 29.131 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.639 31.467 25.326 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.570 31.235 26.862 1.00 1.00 H new ATOM 641 N MET A 42 -4.916 29.160 30.099 1.00 1.00 N ATOM 642 CA MET A 42 -3.924 28.236 30.636 1.00 1.00 C ATOM 643 C MET A 42 -3.601 28.472 32.107 1.00 1.00 C ATOM 644 O MET A 42 -3.144 27.572 32.807 1.00 1.00 O ATOM 645 CB MET A 42 -2.605 28.304 29.832 1.00 1.00 C ATOM 646 CG MET A 42 -2.729 27.697 28.419 1.00 1.00 C ATOM 647 SD MET A 42 -1.212 27.778 27.415 1.00 1.00 S ATOM 648 CE MET A 42 -0.249 26.496 28.263 1.00 1.00 C ATOM 0 H MET A 42 -4.530 29.858 29.463 1.00 1.00 H new ATOM 0 HA MET A 42 -4.380 27.250 30.545 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.290 29.344 29.748 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.824 27.778 30.380 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.030 26.654 28.513 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.528 28.213 27.886 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.689 26.335 27.732 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.039 26.815 29.284 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.818 25.567 28.283 1.00 1.00 H new ATOM 658 N THR A 43 -3.875 29.676 32.641 1.00 1.00 N ATOM 659 CA THR A 43 -3.788 29.933 34.080 1.00 1.00 C ATOM 660 C THR A 43 -5.070 29.541 34.795 1.00 1.00 C ATOM 661 O THR A 43 -5.096 29.417 36.020 1.00 1.00 O ATOM 662 CB THR A 43 -3.423 31.373 34.449 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.205 32.342 33.763 1.00 1.00 O ATOM 664 CG2 THR A 43 -1.962 31.636 34.067 1.00 1.00 C ATOM 0 H THR A 43 -4.159 30.486 32.090 1.00 1.00 H new ATOM 0 HA THR A 43 -2.964 29.304 34.416 1.00 1.00 H new ATOM 0 HB THR A 43 -3.604 31.469 35.520 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.968 32.340 32.812 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.697 32.661 34.328 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.315 30.945 34.607 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.834 31.490 32.994 1.00 1.00 H new ATOM 672 N HIS A 44 -6.163 29.277 34.047 1.00 1.00 N ATOM 673 CA HIS A 44 -7.441 28.852 34.610 1.00 1.00 C ATOM 674 C HIS A 44 -8.087 27.656 33.903 1.00 1.00 C ATOM 675 O HIS A 44 -9.197 27.810 33.383 1.00 1.00 O ATOM 676 CB HIS A 44 -8.454 30.016 34.542 1.00 1.00 C ATOM 677 CG HIS A 44 -8.026 31.207 35.339 1.00 1.00 C ATOM 678 ND1 HIS A 44 -8.166 31.249 36.697 1.00 1.00 N ATOM 679 CD2 HIS A 44 -7.510 32.397 34.953 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.753 32.427 37.133 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.352 33.138 36.093 1.00 1.00 N ATOM 0 H HIS A 44 -6.172 29.356 33.030 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.210 28.549 35.631 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.591 30.311 33.502 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.422 29.671 34.905 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -7.270 32.702 33.945 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -7.745 32.753 38.163 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -6.983 34.088 36.134 1.00 1.00 H new ATOM 690 N PRO A 45 -7.516 26.452 33.860 1.00 1.00 N ATOM 691 CA PRO A 45 -8.196 25.277 33.322 1.00 1.00 C ATOM 692 C PRO A 45 -9.262 24.765 34.280 1.00 1.00 C ATOM 693 O PRO A 45 -9.127 24.940 35.495 1.00 1.00 O ATOM 694 CB PRO A 45 -7.058 24.258 33.149 1.00 1.00 C ATOM 695 CG PRO A 45 -6.059 24.614 34.252 1.00 1.00 C ATOM 696 CD PRO A 45 -6.169 26.137 34.344 1.00 1.00 C ATOM 0 HA PRO A 45 -8.727 25.481 32.392 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.420 23.236 33.256 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.603 24.334 32.161 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.314 24.134 35.197 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.048 24.298 33.997 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.028 26.481 35.368 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.407 26.625 33.736 1.00 1.00 H new ATOM 704 N GLU A 46 -10.337 24.157 33.738 1.00 1.00 N ATOM 705 CA GLU A 46 -11.460 23.591 34.472 1.00 1.00 C ATOM 706 C GLU A 46 -12.323 24.651 35.168 1.00 1.00 C ATOM 707 O GLU A 46 -12.657 24.577 36.353 1.00 1.00 O ATOM 708 CB GLU A 46 -11.039 22.425 35.414 1.00 1.00 C ATOM 709 CG GLU A 46 -12.192 21.554 35.980 1.00 1.00 C ATOM 710 CD GLU A 46 -12.948 20.810 34.907 1.00 1.00 C ATOM 711 OE1 GLU A 46 -12.515 19.701 34.490 1.00 1.00 O ATOM 712 OE2 GLU A 46 -14.011 21.308 34.447 1.00 1.00 O ATOM 0 H GLU A 46 -10.439 24.048 32.729 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.109 23.142 33.720 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.353 21.775 34.870 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -10.483 22.845 36.252 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -11.783 20.837 36.692 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -12.885 22.191 36.530 1.00 1.00 H new ATOM 719 N ARG A 47 -12.694 25.713 34.427 1.00 1.00 N ATOM 720 CA ARG A 47 -13.642 26.700 34.910 1.00 1.00 C ATOM 721 C ARG A 47 -14.388 27.324 33.741 1.00 1.00 C ATOM 722 O ARG A 47 -13.804 27.588 32.690 1.00 1.00 O ATOM 723 CB ARG A 47 -12.926 27.784 35.753 1.00 1.00 C ATOM 724 CG ARG A 47 -13.837 28.910 36.277 1.00 1.00 C ATOM 725 CD ARG A 47 -13.198 29.699 37.419 1.00 1.00 C ATOM 726 NE ARG A 47 -14.080 30.872 37.686 1.00 1.00 N ATOM 727 CZ ARG A 47 -13.792 31.829 38.573 1.00 1.00 C ATOM 728 NH1 ARG A 47 -12.788 31.715 39.432 1.00 1.00 N ATOM 729 NH2 ARG A 47 -14.549 32.920 38.612 1.00 1.00 N ATOM 0 H ARG A 47 -12.341 25.898 33.488 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.366 26.202 35.555 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.444 27.302 36.604 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.135 28.229 35.149 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.075 29.590 35.459 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -14.779 28.481 36.619 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.102 29.078 38.310 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -12.194 30.025 37.148 1.00 1.00 H new ATOM 0 HE ARG A 47 -14.952 30.948 37.162 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -12.207 30.877 39.429 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -12.597 32.466 40.096 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -15.336 33.018 37.971 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -14.343 33.660 39.283 1.00 1.00 H new ATOM 743 N VAL A 48 -15.703 27.577 33.881 1.00 1.00 N ATOM 744 CA VAL A 48 -16.502 28.189 32.826 1.00 1.00 C ATOM 745 C VAL A 48 -16.464 29.704 32.945 1.00 1.00 C ATOM 746 O VAL A 48 -16.596 30.283 34.024 1.00 1.00 O ATOM 747 CB VAL A 48 -17.953 27.713 32.816 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.735 28.290 31.614 1.00 1.00 C ATOM 749 CG2 VAL A 48 -17.986 26.174 32.748 1.00 1.00 C ATOM 0 H VAL A 48 -16.230 27.361 34.727 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.055 27.875 31.883 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.428 28.065 33.732 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.763 27.929 31.641 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.732 29.379 31.666 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.263 27.970 30.685 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.021 25.832 32.741 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.487 25.839 31.839 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.473 25.760 33.616 1.00 1.00 H new ATOM 759 N TYR A 49 -16.269 30.378 31.803 1.00 1.00 N ATOM 760 CA TYR A 49 -16.196 31.817 31.688 1.00 1.00 C ATOM 761 C TYR A 49 -17.187 32.272 30.648 1.00 1.00 C ATOM 762 O TYR A 49 -17.187 31.804 29.509 1.00 1.00 O ATOM 763 CB TYR A 49 -14.786 32.275 31.243 1.00 1.00 C ATOM 764 CG TYR A 49 -13.815 32.090 32.369 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.790 33.023 33.414 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.930 30.998 32.410 1.00 1.00 C ATOM 767 CE1 TYR A 49 -12.897 32.884 34.482 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.027 30.858 33.474 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.007 31.808 34.503 1.00 1.00 C ATOM 770 OH TYR A 49 -11.085 31.687 35.556 1.00 1.00 O ATOM 0 H TYR A 49 -16.155 29.905 30.907 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.416 32.249 32.664 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.464 31.700 30.374 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.812 33.322 30.941 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.470 33.862 33.395 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.946 30.264 31.618 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -12.896 33.605 35.286 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.348 30.019 33.500 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.464 32.081 36.369 1.00 1.00 H new ATOM 780 N SER A 50 -18.066 33.223 31.012 1.00 1.00 N ATOM 781 CA SER A 50 -18.929 33.897 30.059 1.00 1.00 C ATOM 782 C SER A 50 -18.145 34.890 29.225 1.00 1.00 C ATOM 783 O SER A 50 -17.020 35.269 29.554 1.00 1.00 O ATOM 784 CB SER A 50 -20.164 34.587 30.704 1.00 1.00 C ATOM 785 OG SER A 50 -19.822 35.730 31.493 1.00 1.00 O ATOM 0 H SER A 50 -18.188 33.536 31.975 1.00 1.00 H new ATOM 0 HA SER A 50 -19.322 33.111 29.414 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.855 34.890 29.917 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.690 33.866 31.330 1.00 1.00 H new ATOM 0 HG SER A 50 -20.637 36.122 31.871 1.00 1.00 H new ATOM 791 N ARG A 51 -18.718 35.358 28.096 1.00 1.00 N ATOM 792 CA ARG A 51 -18.075 36.348 27.248 1.00 1.00 C ATOM 793 C ARG A 51 -17.807 37.660 27.982 1.00 1.00 C ATOM 794 O ARG A 51 -16.780 38.299 27.771 1.00 1.00 O ATOM 795 CB ARG A 51 -18.873 36.546 25.937 1.00 1.00 C ATOM 796 CG ARG A 51 -18.840 35.280 25.053 1.00 1.00 C ATOM 797 CD ARG A 51 -19.770 35.331 23.835 1.00 1.00 C ATOM 798 NE ARG A 51 -19.626 34.029 23.100 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.323 32.922 23.368 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.083 32.773 24.446 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.246 31.909 22.513 1.00 1.00 N ATOM 0 H ARG A 51 -19.632 35.055 27.760 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.092 35.964 26.976 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.907 36.798 26.174 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.459 37.388 25.382 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.819 35.120 24.708 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -19.109 34.418 25.664 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.803 35.482 24.148 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.508 36.168 23.187 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.946 33.987 22.341 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.158 33.530 25.126 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.592 31.902 24.595 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.666 31.989 21.678 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.767 31.051 22.691 1.00 1.00 H new ATOM 815 N GLU A 52 -18.683 38.042 28.935 1.00 1.00 N ATOM 816 CA GLU A 52 -18.472 39.153 29.846 1.00 1.00 C ATOM 817 C GLU A 52 -17.231 39.031 30.727 1.00 1.00 C ATOM 818 O GLU A 52 -16.466 39.989 30.860 1.00 1.00 O ATOM 819 CB GLU A 52 -19.689 39.311 30.788 1.00 1.00 C ATOM 820 CG GLU A 52 -20.999 39.623 30.035 1.00 1.00 C ATOM 821 CD GLU A 52 -22.134 39.893 31.000 1.00 1.00 C ATOM 822 OE1 GLU A 52 -22.803 38.928 31.459 1.00 1.00 O ATOM 823 OE2 GLU A 52 -22.358 41.092 31.317 1.00 1.00 O ATOM 0 H GLU A 52 -19.573 37.566 29.084 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.333 40.017 29.196 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -19.817 38.394 31.364 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.488 40.110 31.502 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -20.853 40.489 29.390 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -21.259 38.784 29.389 1.00 1.00 H new ATOM 830 N GLN A 53 -16.965 37.848 31.326 1.00 1.00 N ATOM 831 CA GLN A 53 -15.777 37.633 32.136 1.00 1.00 C ATOM 832 C GLN A 53 -14.500 37.720 31.316 1.00 1.00 C ATOM 833 O GLN A 53 -13.512 38.345 31.707 1.00 1.00 O ATOM 834 CB GLN A 53 -15.852 36.254 32.822 1.00 1.00 C ATOM 835 CG GLN A 53 -17.055 36.132 33.782 1.00 1.00 C ATOM 836 CD GLN A 53 -17.174 34.715 34.335 1.00 1.00 C ATOM 837 OE1 GLN A 53 -17.982 33.915 33.853 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.351 34.378 35.348 1.00 1.00 N ATOM 0 H GLN A 53 -17.571 37.031 31.254 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.747 38.425 32.885 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -15.919 35.477 32.061 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -14.930 36.078 33.377 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -16.941 36.838 34.604 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -17.972 36.399 33.257 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -15.695 35.064 35.722 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.384 33.437 35.740 1.00 1.00 H new ATOM 847 N LEU A 54 -14.519 37.128 30.104 1.00 1.00 N ATOM 848 CA LEU A 54 -13.434 37.220 29.147 1.00 1.00 C ATOM 849 C LEU A 54 -13.175 38.648 28.682 1.00 1.00 C ATOM 850 O LEU A 54 -12.027 39.079 28.606 1.00 1.00 O ATOM 851 CB LEU A 54 -13.682 36.297 27.928 1.00 1.00 C ATOM 852 CG LEU A 54 -13.819 34.800 28.284 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.154 33.976 27.033 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.563 34.233 28.967 1.00 1.00 C ATOM 0 H LEU A 54 -15.305 36.569 29.773 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.539 36.884 29.670 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.589 36.622 27.419 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.860 36.417 27.222 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.637 34.724 29.000 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.246 32.924 27.304 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.095 34.325 26.608 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.359 34.092 26.297 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.717 33.178 29.194 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.707 34.340 28.301 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.374 34.779 29.891 1.00 1.00 H new ATOM 866 N LEU A 55 -14.228 39.450 28.410 1.00 1.00 N ATOM 867 CA LEU A 55 -14.086 40.865 28.104 1.00 1.00 C ATOM 868 C LEU A 55 -13.453 41.678 29.223 1.00 1.00 C ATOM 869 O LEU A 55 -12.503 42.417 28.981 1.00 1.00 O ATOM 870 CB LEU A 55 -15.443 41.505 27.722 1.00 1.00 C ATOM 871 CG LEU A 55 -15.948 41.121 26.316 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.390 41.608 26.116 1.00 1.00 C ATOM 873 CD2 LEU A 55 -15.044 41.685 25.209 1.00 1.00 C ATOM 0 H LEU A 55 -15.194 39.122 28.400 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.406 40.895 27.252 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.191 41.210 28.458 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.350 42.590 27.779 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.920 40.034 26.245 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.733 41.330 25.119 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -18.036 41.148 26.864 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.426 42.692 26.223 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.435 41.391 24.235 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -15.020 42.773 25.278 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -14.034 41.292 25.328 1.00 1.00 H new ATOM 885 N ASN A 56 -13.901 41.523 30.486 1.00 1.00 N ATOM 886 CA ASN A 56 -13.312 42.232 31.616 1.00 1.00 C ATOM 887 C ASN A 56 -11.853 41.845 31.886 1.00 1.00 C ATOM 888 O ASN A 56 -11.002 42.708 32.109 1.00 1.00 O ATOM 889 CB ASN A 56 -14.164 42.055 32.903 1.00 1.00 C ATOM 890 CG ASN A 56 -15.401 42.948 32.853 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.385 44.090 33.330 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.517 42.448 32.286 1.00 1.00 N ATOM 0 H ASN A 56 -14.674 40.907 30.739 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.311 43.284 31.333 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.465 41.012 33.006 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.565 42.302 33.779 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.365 43.013 32.245 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.513 41.505 31.898 1.00 1.00 H new ATOM 899 N HIS A 57 -11.509 40.541 31.844 1.00 1.00 N ATOM 900 CA HIS A 57 -10.129 40.099 31.998 1.00 1.00 C ATOM 901 C HIS A 57 -9.197 40.397 30.826 1.00 1.00 C ATOM 902 O HIS A 57 -8.091 40.903 31.018 1.00 1.00 O ATOM 903 CB HIS A 57 -10.065 38.579 32.283 1.00 1.00 C ATOM 904 CG HIS A 57 -10.329 38.243 33.716 1.00 1.00 C ATOM 905 ND1 HIS A 57 -9.353 38.543 34.652 1.00 1.00 N ATOM 906 CD2 HIS A 57 -11.365 37.594 34.308 1.00 1.00 C ATOM 907 CE1 HIS A 57 -9.811 38.057 35.793 1.00 1.00 C ATOM 908 NE2 HIS A 57 -11.024 37.479 35.639 1.00 1.00 N ATOM 0 H HIS A 57 -12.177 39.783 31.704 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.768 40.690 32.840 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.793 38.066 31.655 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.081 38.203 32.002 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.269 37.241 33.834 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -9.282 38.114 36.733 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -11.582 37.040 36.371 1.00 1.00 H new ATOM 916 N VAL A 58 -9.583 40.095 29.571 1.00 1.00 N ATOM 917 CA VAL A 58 -8.624 40.079 28.469 1.00 1.00 C ATOM 918 C VAL A 58 -8.602 41.394 27.723 1.00 1.00 C ATOM 919 O VAL A 58 -7.554 42.017 27.553 1.00 1.00 O ATOM 920 CB VAL A 58 -8.909 38.923 27.517 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.936 38.912 26.318 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.785 37.614 28.319 1.00 1.00 C ATOM 0 H VAL A 58 -10.540 39.863 29.306 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.635 39.933 28.903 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.912 39.033 27.105 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.174 38.073 25.664 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -8.034 39.844 25.762 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.913 38.811 26.681 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.984 36.766 27.664 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.777 37.530 28.725 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.506 37.618 29.136 1.00 1.00 H new ATOM 932 N TRP A 59 -9.775 41.868 27.266 1.00 1.00 N ATOM 933 CA TRP A 59 -9.916 43.144 26.593 1.00 1.00 C ATOM 934 C TRP A 59 -9.751 44.305 27.562 1.00 1.00 C ATOM 935 O TRP A 59 -9.025 45.260 27.286 1.00 1.00 O ATOM 936 CB TRP A 59 -11.277 43.228 25.853 1.00 1.00 C ATOM 937 CG TRP A 59 -11.311 42.458 24.538 1.00 1.00 C ATOM 938 CD1 TRP A 59 -11.168 42.976 23.281 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.474 41.034 24.368 1.00 1.00 C ATOM 940 NE1 TRP A 59 -11.228 41.976 22.336 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.420 40.776 22.982 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.656 39.994 25.277 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.551 39.483 22.494 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.783 38.688 24.784 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.733 38.433 23.407 1.00 1.00 C ATOM 0 H TRP A 59 -10.654 41.359 27.362 1.00 1.00 H new ATOM 0 HA TRP A 59 -9.120 43.219 25.853 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -12.060 42.845 26.508 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.509 44.275 25.656 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -11.028 44.024 23.060 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -11.144 42.103 21.327 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.698 40.190 26.338 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.514 39.289 21.432 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.921 37.868 25.474 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.835 37.420 23.046 1.00 1.00 H new ATOM 956 N GLY A 60 -10.373 44.216 28.751 1.00 1.00 N ATOM 957 CA GLY A 60 -10.324 45.243 29.785 1.00 1.00 C ATOM 958 C GLY A 60 -11.697 45.694 30.208 1.00 1.00 C ATOM 959 O GLY A 60 -12.669 45.643 29.457 1.00 1.00 O ATOM 0 H GLY A 60 -10.934 43.407 29.017 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.788 44.857 30.652 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -9.760 46.100 29.416 1.00 1.00 H new ATOM 963 N THR A 61 -11.810 46.173 31.457 1.00 1.00 N ATOM 964 CA THR A 61 -13.054 46.602 32.100 1.00 1.00 C ATOM 965 C THR A 61 -13.708 47.809 31.444 1.00 1.00 C ATOM 966 O THR A 61 -14.921 47.856 31.225 1.00 1.00 O ATOM 967 CB THR A 61 -12.873 46.917 33.589 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.862 47.895 33.807 1.00 1.00 O ATOM 969 CG2 THR A 61 -12.413 45.655 34.333 1.00 1.00 C ATOM 0 H THR A 61 -11.000 46.275 32.069 1.00 1.00 H new ATOM 0 HA THR A 61 -13.710 45.740 31.976 1.00 1.00 H new ATOM 0 HB THR A 61 -13.834 47.284 33.949 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.778 48.070 34.768 1.00 1.00 H new ATOM 0 HG21 THR A 61 -12.285 45.883 35.391 1.00 1.00 H new ATOM 0 HG22 THR A 61 -13.162 44.872 34.218 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.465 45.314 33.918 1.00 1.00 H new ATOM 977 N ASN A 62 -12.904 48.828 31.082 1.00 1.00 N ATOM 978 CA ASN A 62 -13.395 50.094 30.566 1.00 1.00 C ATOM 979 C ASN A 62 -13.243 50.149 29.053 1.00 1.00 C ATOM 980 O ASN A 62 -13.488 51.174 28.413 1.00 1.00 O ATOM 981 CB ASN A 62 -12.641 51.277 31.221 1.00 1.00 C ATOM 982 CG ASN A 62 -12.774 51.187 32.738 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.877 51.104 33.292 1.00 1.00 O ATOM 984 ND2 ASN A 62 -11.633 51.195 33.458 1.00 1.00 N ATOM 0 H ASN A 62 -11.887 48.782 31.145 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.453 50.176 30.813 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.589 51.255 30.935 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -13.048 52.223 30.865 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -11.671 51.132 34.475 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.732 51.264 32.985 1.00 1.00 H new ATOM 991 N VAL A 63 -12.846 49.018 28.440 1.00 1.00 N ATOM 992 CA VAL A 63 -12.725 48.831 27.003 1.00 1.00 C ATOM 993 C VAL A 63 -14.057 48.335 26.472 1.00 1.00 C ATOM 994 O VAL A 63 -14.753 47.550 27.120 1.00 1.00 O ATOM 995 CB VAL A 63 -11.606 47.851 26.662 1.00 1.00 C ATOM 996 CG1 VAL A 63 -11.428 47.666 25.142 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.293 48.383 27.271 1.00 1.00 C ATOM 0 H VAL A 63 -12.593 48.181 28.965 1.00 1.00 H new ATOM 0 HA VAL A 63 -12.468 49.781 26.534 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.868 46.877 27.075 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -10.620 46.959 24.954 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.353 47.283 24.711 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -11.185 48.625 24.685 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -9.479 47.696 27.038 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.070 49.365 26.853 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.401 48.465 28.353 1.00 1.00 H new ATOM 1007 N TYR A 64 -14.475 48.816 25.289 1.00 1.00 N ATOM 1008 CA TYR A 64 -15.798 48.561 24.750 1.00 1.00 C ATOM 1009 C TYR A 64 -15.764 48.036 23.322 1.00 1.00 C ATOM 1010 O TYR A 64 -15.154 48.613 22.419 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.766 49.771 24.898 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.199 51.083 24.414 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -15.462 51.906 25.284 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -16.458 51.536 23.110 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -14.981 53.150 24.854 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -15.986 52.785 22.680 1.00 1.00 C ATOM 1017 CZ TYR A 64 -15.251 53.592 23.553 1.00 1.00 C ATOM 1018 OH TYR A 64 -14.797 54.861 23.143 1.00 1.00 O ATOM 0 H TYR A 64 -13.892 49.395 24.685 1.00 1.00 H new ATOM 0 HA TYR A 64 -16.208 47.763 25.369 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -17.681 49.559 24.346 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -17.043 49.873 25.947 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -15.265 51.576 26.293 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -17.026 50.917 22.432 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -14.403 53.767 25.525 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -16.190 53.123 21.675 1.00 1.00 H new ATOM 0 HH TYR A 64 -15.064 55.019 22.213 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.447 46.893 23.123 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.678 46.207 21.864 1.00 1.00 C ATOM 1030 C VAL A 65 -17.956 45.410 22.064 1.00 1.00 C ATOM 1031 O VAL A 65 -18.515 45.393 23.166 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.584 45.237 21.399 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.314 45.978 20.991 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -15.194 44.202 22.458 1.00 1.00 C ATOM 0 H VAL A 65 -16.879 46.399 23.904 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.713 46.971 21.087 1.00 1.00 H new ATOM 0 HB VAL A 65 -16.022 44.719 20.546 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.561 45.259 20.667 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.539 46.661 20.172 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -13.934 46.544 21.842 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.416 43.550 22.060 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.821 44.713 23.346 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -16.067 43.606 22.723 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.465 44.753 21.003 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.543 43.788 21.082 1.00 1.00 C ATOM 1046 C GLU A 66 -19.087 42.455 21.665 1.00 1.00 C ATOM 1047 O GLU A 66 -17.915 42.082 21.606 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.162 43.519 19.681 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.750 44.771 18.982 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.880 45.384 19.794 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -22.563 44.803 20.620 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -22.053 46.726 19.547 1.00 1.00 O ATOM 0 H GLU A 66 -18.120 44.892 20.053 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.288 44.229 21.744 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.396 43.086 19.037 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.950 42.773 19.784 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -19.963 45.511 18.836 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -21.118 44.498 17.993 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.031 41.665 22.216 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.793 40.351 22.790 1.00 1.00 C ATOM 1062 C ASP A 67 -19.245 39.362 21.762 1.00 1.00 C ATOM 1063 O ASP A 67 -18.462 38.468 22.070 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.090 39.775 23.413 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.668 40.722 24.433 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -22.410 41.660 24.035 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -21.419 40.561 25.657 1.00 1.00 O ATOM 0 H ASP A 67 -21.010 41.946 22.269 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.042 40.485 23.569 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.823 39.589 22.628 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -20.876 38.815 23.883 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.605 39.549 20.476 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.231 38.645 19.408 1.00 1.00 C ATOM 1074 C ARG A 68 -17.881 38.999 18.788 1.00 1.00 C ATOM 1075 O ARG A 68 -17.415 38.333 17.861 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.342 38.598 18.325 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.688 38.030 18.832 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.608 36.560 19.263 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.950 36.142 19.767 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.124 35.039 20.502 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.187 34.099 20.624 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.266 34.842 21.155 1.00 1.00 N ATOM 0 H ARG A 68 -20.167 40.341 20.164 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.123 37.654 19.848 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.505 39.605 17.942 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.995 37.991 17.489 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -22.032 38.629 19.675 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.435 38.129 18.044 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.307 35.934 18.423 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.855 36.433 20.041 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.762 36.718 19.543 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.293 34.205 20.145 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.364 33.273 21.196 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.013 35.534 21.096 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.395 33.999 21.715 1.00 1.00 H new ATOM 1096 N THR A 69 -17.141 39.987 19.346 1.00 1.00 N ATOM 1097 CA THR A 69 -15.692 40.074 19.190 1.00 1.00 C ATOM 1098 C THR A 69 -14.993 38.867 19.800 1.00 1.00 C ATOM 1099 O THR A 69 -14.017 38.345 19.259 1.00 1.00 O ATOM 1100 CB THR A 69 -15.162 41.359 19.803 1.00 1.00 C ATOM 1101 OG1 THR A 69 -15.733 42.450 19.104 1.00 1.00 O ATOM 1102 CG2 THR A 69 -13.649 41.509 19.653 1.00 1.00 C ATOM 0 H THR A 69 -17.541 40.736 19.911 1.00 1.00 H new ATOM 0 HA THR A 69 -15.476 40.082 18.122 1.00 1.00 H new ATOM 0 HB THR A 69 -15.416 41.335 20.863 1.00 1.00 H new ATOM 0 HG1 THR A 69 -16.553 42.736 19.558 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.329 42.446 20.110 1.00 1.00 H new ATOM 0 HG22 THR A 69 -13.150 40.675 20.147 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.387 41.513 18.595 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.509 38.342 20.938 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.979 37.151 21.590 1.00 1.00 C ATOM 1112 C VAL A 70 -15.064 35.913 20.701 1.00 1.00 C ATOM 1113 O VAL A 70 -14.077 35.203 20.534 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.658 36.882 22.933 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.959 35.719 23.666 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.597 38.152 23.807 1.00 1.00 C ATOM 0 H VAL A 70 -16.311 38.747 21.422 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.925 37.358 21.775 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.698 36.610 22.752 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.454 35.540 24.620 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -15.013 34.818 23.054 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.914 35.975 23.842 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.081 37.959 24.764 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.556 38.428 23.976 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.110 38.968 23.299 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.213 35.678 20.033 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.463 34.575 19.112 1.00 1.00 C ATOM 1128 C ASP A 71 -15.463 34.494 17.956 1.00 1.00 C ATOM 1129 O ASP A 71 -14.911 33.435 17.648 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.872 34.784 18.487 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.979 34.377 19.432 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.998 34.840 20.594 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.886 33.615 18.995 1.00 1.00 O ATOM 0 H ASP A 71 -17.024 36.288 20.134 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.374 33.655 19.689 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.995 35.832 18.215 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.950 34.204 17.567 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.175 35.640 17.311 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.182 35.759 16.248 1.00 1.00 C ATOM 1140 C VAL A 72 -12.769 35.488 16.750 1.00 1.00 C ATOM 1141 O VAL A 72 -11.985 34.772 16.133 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.285 37.127 15.577 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.167 37.345 14.541 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.649 37.194 14.865 1.00 1.00 C ATOM 0 H VAL A 72 -15.640 36.522 17.525 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.398 34.993 15.503 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.184 37.903 16.336 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.278 38.330 14.088 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.197 37.279 15.033 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.234 36.580 13.767 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.756 38.161 14.374 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.710 36.400 14.121 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.448 37.068 15.596 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.412 36.009 17.937 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.122 35.743 18.555 1.00 1.00 C ATOM 1156 C HIS A 73 -10.945 34.298 19.020 1.00 1.00 C ATOM 1157 O HIS A 73 -9.868 33.728 18.888 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.873 36.718 19.716 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.472 38.086 19.225 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -9.162 38.400 19.021 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -11.171 39.227 19.040 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -9.049 39.687 18.764 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -10.257 40.212 18.786 1.00 1.00 N ATOM 0 H HIS A 73 -13.015 36.623 18.485 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.376 35.900 17.776 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.776 36.800 20.321 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.091 36.321 20.362 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.386 37.739 19.061 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -12.244 39.340 19.084 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -8.129 40.218 18.570 1.00 1.00 H new ATOM 1172 N ILE A 74 -12.012 33.642 19.517 1.00 1.00 N ATOM 1173 CA ILE A 74 -12.049 32.210 19.807 1.00 1.00 C ATOM 1174 C ILE A 74 -11.792 31.365 18.561 1.00 1.00 C ATOM 1175 O ILE A 74 -11.008 30.416 18.598 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.374 31.850 20.482 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.375 32.311 21.963 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.745 30.354 20.364 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.511 31.469 22.912 1.00 1.00 C ATOM 0 H ILE A 74 -12.891 34.113 19.731 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.238 31.979 20.498 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.150 32.390 19.939 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -13.031 33.344 22.005 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.402 32.302 22.329 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.696 30.174 20.866 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.833 30.083 19.312 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.968 29.749 20.831 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.580 31.873 23.922 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.865 30.438 22.909 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.473 31.497 22.580 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.383 31.729 17.401 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.071 31.106 16.121 1.00 1.00 C ATOM 1193 C ARG A 75 -10.609 31.286 15.716 1.00 1.00 C ATOM 1194 O ARG A 75 -9.948 30.335 15.304 1.00 1.00 O ATOM 1195 CB ARG A 75 -13.000 31.656 15.003 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.697 31.167 13.567 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.718 29.644 13.391 1.00 1.00 C ATOM 1198 NE ARG A 75 -12.369 29.379 11.963 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.713 28.299 11.520 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -11.288 27.332 12.323 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -11.455 28.198 10.218 1.00 1.00 N ATOM 0 H ARG A 75 -13.088 32.464 17.339 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.244 30.037 16.247 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.028 31.388 15.248 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.944 32.744 15.014 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.425 31.608 12.886 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -11.717 31.540 13.270 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -12.003 29.166 14.061 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.701 29.239 13.632 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.652 30.074 11.272 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -11.457 27.392 13.327 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -10.792 26.529 11.936 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.756 28.935 9.580 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -10.957 27.384 9.859 1.00 1.00 H new ATOM 1215 N ARG A 76 -10.047 32.501 15.875 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.641 32.784 15.629 1.00 1.00 C ATOM 1217 C ARG A 76 -7.687 31.999 16.524 1.00 1.00 C ATOM 1218 O ARG A 76 -6.662 31.499 16.057 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.358 34.297 15.776 1.00 1.00 C ATOM 1220 CG ARG A 76 -9.001 35.123 14.648 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.881 36.634 14.847 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.526 37.239 13.646 1.00 1.00 N ATOM 1223 CZ ARG A 76 -9.901 38.517 13.521 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.667 39.438 14.448 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.534 38.846 12.400 1.00 1.00 N ATOM 0 H ARG A 76 -10.575 33.317 16.183 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.451 32.460 14.606 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.736 34.643 16.738 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.281 34.465 15.778 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.535 34.852 13.701 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.056 34.858 14.572 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.379 36.951 15.763 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.838 36.939 14.929 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.696 36.624 12.850 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -9.179 39.184 15.307 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.975 40.399 14.301 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -10.711 38.138 11.688 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -10.843 39.807 12.252 1.00 1.00 H new ATOM 1239 N LEU A 77 -8.007 31.859 17.826 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.268 31.027 18.761 1.00 1.00 C ATOM 1241 C LEU A 77 -7.333 29.536 18.435 1.00 1.00 C ATOM 1242 O LEU A 77 -6.311 28.853 18.403 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.759 31.290 20.208 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.967 30.565 21.320 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.471 30.917 21.302 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.561 30.885 22.701 1.00 1.00 C ATOM 0 H LEU A 77 -8.802 32.335 18.252 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.219 31.310 18.668 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.719 32.363 20.398 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.805 30.993 20.278 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.055 29.497 21.123 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.961 30.381 22.103 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.041 30.630 20.342 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.348 31.990 21.448 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -6.991 30.366 23.471 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.514 31.960 22.877 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.600 30.557 22.735 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.524 28.983 18.114 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.653 27.616 17.634 1.00 1.00 C ATOM 1260 C ARG A 78 -7.902 27.354 16.337 1.00 1.00 C ATOM 1261 O ARG A 78 -7.172 26.375 16.232 1.00 1.00 O ATOM 1262 CB ARG A 78 -10.138 27.254 17.433 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.882 27.036 18.760 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.398 27.015 18.577 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.969 26.631 19.898 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.269 26.722 20.212 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.156 27.300 19.411 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.673 26.208 21.369 1.00 1.00 N ATOM 0 H ARG A 78 -9.411 29.481 18.185 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.204 26.988 18.403 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.629 28.050 16.873 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.208 26.349 16.829 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.559 26.095 19.205 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.613 27.828 19.459 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.766 27.992 18.263 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.687 26.302 17.805 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.330 26.276 20.609 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.857 27.695 18.520 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.137 27.349 19.687 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -14.000 25.760 21.991 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.656 26.262 21.635 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.992 28.266 15.348 1.00 1.00 N ATOM 1283 CA LYS A 79 -7.266 28.198 14.088 1.00 1.00 C ATOM 1284 C LYS A 79 -5.749 28.162 14.282 1.00 1.00 C ATOM 1285 O LYS A 79 -5.037 27.402 13.623 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.679 29.406 13.204 1.00 1.00 C ATOM 1287 CG LYS A 79 -7.022 29.458 11.816 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.458 30.668 10.966 1.00 1.00 C ATOM 1289 CE LYS A 79 -8.861 30.549 10.352 1.00 1.00 C ATOM 1290 NZ LYS A 79 -9.112 31.673 9.432 1.00 1.00 N ATOM 0 H LYS A 79 -8.591 29.088 15.417 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.531 27.263 13.594 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.761 29.388 13.075 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.437 30.325 13.737 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.939 29.483 11.938 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -7.261 28.542 11.276 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -7.423 31.563 11.587 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.735 30.810 10.162 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -8.952 29.604 9.816 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -9.612 30.542 11.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -10.064 31.581 9.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -9.044 32.570 9.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -8.405 31.662 8.669 1.00 1.00 H new ATOM 1304 N ALA A 80 -5.232 28.962 15.237 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.849 28.965 15.663 1.00 1.00 C ATOM 1306 C ALA A 80 -3.363 27.674 16.333 1.00 1.00 C ATOM 1307 O ALA A 80 -2.223 27.260 16.112 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.599 30.163 16.600 1.00 1.00 C ATOM 0 H ALA A 80 -5.801 29.642 15.741 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.266 29.046 14.745 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.557 30.164 16.920 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.817 31.091 16.071 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.246 30.083 17.473 1.00 1.00 H new ATOM 1314 N LEU A 81 -4.195 26.998 17.167 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.781 25.840 17.933 1.00 1.00 C ATOM 1316 C LEU A 81 -4.120 24.544 17.216 1.00 1.00 C ATOM 1317 O LEU A 81 -3.661 23.471 17.610 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.524 25.812 19.294 1.00 1.00 C ATOM 1319 CG LEU A 81 -4.204 26.970 20.262 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -5.184 26.936 21.444 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.757 26.930 20.777 1.00 1.00 C ATOM 0 H LEU A 81 -5.170 27.258 17.313 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.702 25.918 18.067 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.597 25.812 19.100 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.291 24.872 19.794 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.316 27.901 19.706 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.958 27.754 22.128 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.204 27.043 21.074 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -5.087 25.986 21.970 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.588 27.768 21.454 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.586 25.994 21.309 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -2.069 27.000 19.935 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.905 24.610 16.124 1.00 1.00 N ATOM 1334 CA GLU A 82 -5.282 23.480 15.294 1.00 1.00 C ATOM 1335 C GLU A 82 -4.123 22.727 14.639 1.00 1.00 C ATOM 1336 O GLU A 82 -4.116 21.500 14.776 1.00 1.00 O ATOM 1337 CB GLU A 82 -6.332 23.910 14.235 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.992 22.738 13.469 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.984 23.234 12.421 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -7.833 23.182 11.212 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -9.103 23.798 12.971 1.00 1.00 O ATOM 0 H GLU A 82 -5.302 25.490 15.795 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.719 22.759 15.985 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -7.112 24.488 14.730 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.852 24.573 13.515 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -6.220 22.140 12.985 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -7.505 22.085 14.175 1.00 1.00 H new ATOM 1349 N PRO A 83 -3.084 23.302 14.006 1.00 1.00 N ATOM 1350 CA PRO A 83 -2.006 22.508 13.418 1.00 1.00 C ATOM 1351 C PRO A 83 -1.070 22.002 14.496 1.00 1.00 C ATOM 1352 O PRO A 83 -0.272 21.101 14.243 1.00 1.00 O ATOM 1353 CB PRO A 83 -1.300 23.491 12.468 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.581 24.874 13.059 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.999 24.712 13.601 1.00 1.00 C ATOM 0 HA PRO A 83 -2.362 21.619 12.898 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -0.229 23.292 12.417 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -1.688 23.408 11.453 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.872 25.132 13.845 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.521 25.659 12.305 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -3.179 25.378 14.445 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.743 24.952 12.841 1.00 1.00 H new ATOM 1363 N GLY A 84 -1.158 22.573 15.711 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.461 22.104 16.899 1.00 1.00 C ATOM 1365 C GLY A 84 -1.239 21.080 17.681 1.00 1.00 C ATOM 1366 O GLY A 84 -0.803 20.663 18.750 1.00 1.00 O ATOM 0 H GLY A 84 -1.735 23.396 15.887 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.497 21.675 16.604 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.244 22.955 17.544 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.443 20.685 17.213 1.00 1.00 N ATOM 1371 CA GLY A 85 -3.232 19.615 17.820 1.00 1.00 C ATOM 1372 C GLY A 85 -3.916 19.964 19.117 1.00 1.00 C ATOM 1373 O GLY A 85 -4.304 19.075 19.867 1.00 1.00 O ATOM 0 H GLY A 85 -2.889 21.108 16.399 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -3.990 19.297 17.105 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.579 18.760 17.993 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.024 21.263 19.463 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.473 21.682 20.787 1.00 1.00 C ATOM 1379 C HIS A 86 -5.706 22.578 20.775 1.00 1.00 C ATOM 1380 O HIS A 86 -6.114 23.081 21.817 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.334 22.371 21.582 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.314 21.402 22.131 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.284 20.858 21.411 1.00 1.00 N ATOM 1384 CD2 HIS A 86 -2.238 20.870 23.374 1.00 1.00 C ATOM 1385 CE1 HIS A 86 -0.596 20.037 22.192 1.00 1.00 C ATOM 1386 NE2 HIS A 86 -1.158 20.031 23.385 1.00 1.00 N ATOM 0 H HIS A 86 -3.803 22.035 18.834 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.763 20.757 21.286 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.831 23.088 20.933 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.767 22.937 22.407 1.00 1.00 H new ATOM 0 HD1 HIS A 86 -1.079 21.053 20.431 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -2.904 21.070 24.200 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.276 19.470 21.901 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.839 19.488 24.187 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.383 22.763 19.624 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.688 23.399 19.525 1.00 1.00 C ATOM 1397 C ASP A 87 -8.791 22.784 20.408 1.00 1.00 C ATOM 1398 O ASP A 87 -9.636 23.489 20.955 1.00 1.00 O ATOM 1399 CB ASP A 87 -8.120 23.429 18.030 1.00 1.00 C ATOM 1400 CG ASP A 87 -8.278 22.044 17.432 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -7.260 21.314 17.295 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -9.428 21.651 17.103 1.00 1.00 O ATOM 0 H ASP A 87 -6.017 22.462 18.721 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.569 24.408 19.920 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -9.064 23.967 17.941 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -7.380 23.985 17.455 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.779 21.448 20.595 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.799 20.692 21.306 1.00 1.00 C ATOM 1409 C ARG A 88 -9.862 20.904 22.822 1.00 1.00 C ATOM 1410 O ARG A 88 -10.849 20.540 23.466 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.672 19.185 20.967 1.00 1.00 C ATOM 1412 CG ARG A 88 -8.302 18.527 21.242 1.00 1.00 C ATOM 1413 CD ARG A 88 -8.255 17.081 20.724 1.00 1.00 C ATOM 1414 NE ARG A 88 -6.884 16.529 20.982 1.00 1.00 N ATOM 1415 CZ ARG A 88 -5.991 16.204 20.033 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -6.111 16.599 18.771 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -4.943 15.459 20.378 1.00 1.00 N ATOM 0 H ARG A 88 -8.028 20.857 20.238 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.746 21.093 20.946 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.430 18.643 21.533 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.908 19.052 19.911 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -7.515 19.111 20.765 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.101 18.537 22.313 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -9.009 16.474 21.226 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -8.481 17.053 19.658 1.00 1.00 H new ATOM 0 HE ARG A 88 -6.609 16.390 21.954 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -6.906 17.173 18.490 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -5.408 16.328 18.083 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -4.833 15.149 21.344 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -4.250 15.198 19.677 1.00 1.00 H new ATOM 1431 N MET A 89 -8.831 21.529 23.434 1.00 1.00 N ATOM 1432 CA MET A 89 -8.865 22.013 24.807 1.00 1.00 C ATOM 1433 C MET A 89 -9.857 23.154 25.015 1.00 1.00 C ATOM 1434 O MET A 89 -10.491 23.276 26.063 1.00 1.00 O ATOM 1435 CB MET A 89 -7.483 22.546 25.245 1.00 1.00 C ATOM 1436 CG MET A 89 -6.307 21.601 24.940 1.00 1.00 C ATOM 1437 SD MET A 89 -4.697 22.283 25.428 1.00 1.00 S ATOM 1438 CE MET A 89 -4.953 21.890 27.175 1.00 1.00 C ATOM 0 H MET A 89 -7.942 21.708 22.967 1.00 1.00 H new ATOM 0 HA MET A 89 -9.169 21.151 25.400 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.303 23.501 24.751 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.506 22.742 26.317 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.466 20.655 25.458 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.293 21.382 23.872 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.000 21.940 27.703 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.648 22.608 27.611 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.365 20.885 27.265 1.00 1.00 H new ATOM 1448 N VAL A 90 -9.970 24.027 23.993 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.823 25.208 23.945 1.00 1.00 C ATOM 1450 C VAL A 90 -12.255 24.816 23.600 1.00 1.00 C ATOM 1451 O VAL A 90 -12.612 24.627 22.432 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.310 26.220 22.910 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.173 27.502 22.877 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -8.849 26.599 23.232 1.00 1.00 C ATOM 0 H VAL A 90 -9.432 23.910 23.134 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.800 25.672 24.931 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.372 25.747 21.930 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.774 28.190 22.131 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.200 27.243 22.619 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.154 27.979 23.857 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.489 27.317 22.495 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.799 27.043 24.226 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.226 25.705 23.202 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.127 24.689 24.619 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.451 24.105 24.501 1.00 1.00 C ATOM 1466 C GLN A 91 -15.561 25.118 24.755 1.00 1.00 C ATOM 1467 O GLN A 91 -15.357 26.185 25.335 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.613 22.934 25.495 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.662 21.749 25.211 1.00 1.00 C ATOM 1470 CD GLN A 91 -13.826 20.673 26.280 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.919 20.460 26.816 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -12.726 19.976 26.631 1.00 1.00 N ATOM 0 H GLN A 91 -12.912 25.002 25.566 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.542 23.750 23.475 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.434 23.299 26.506 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.643 22.579 25.462 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -13.875 21.330 24.228 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -12.630 22.098 25.192 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -11.834 20.168 26.176 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -12.786 19.257 27.352 1.00 1.00 H new ATOM 1481 N THR A 92 -16.785 24.795 24.295 1.00 1.00 N ATOM 1482 CA THR A 92 -17.907 25.726 24.221 1.00 1.00 C ATOM 1483 C THR A 92 -19.047 25.298 25.111 1.00 1.00 C ATOM 1484 O THR A 92 -19.495 24.150 25.092 1.00 1.00 O ATOM 1485 CB THR A 92 -18.446 25.880 22.801 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.404 26.352 21.959 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.564 26.923 22.710 1.00 1.00 C ATOM 0 H THR A 92 -17.017 23.860 23.960 1.00 1.00 H new ATOM 0 HA THR A 92 -17.510 26.683 24.559 1.00 1.00 H new ATOM 0 HB THR A 92 -18.828 24.903 22.503 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.215 27.291 22.167 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.912 26.994 21.680 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.392 26.626 23.353 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.184 27.893 23.032 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.567 26.241 25.923 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.735 26.044 26.757 1.00 1.00 C ATOM 1497 C VAL A 93 -21.858 26.888 26.172 1.00 1.00 C ATOM 1498 O VAL A 93 -21.904 28.112 26.322 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.470 26.447 28.203 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.720 26.184 29.063 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.281 25.631 28.749 1.00 1.00 C ATOM 0 H VAL A 93 -19.166 27.175 26.008 1.00 1.00 H new ATOM 0 HA VAL A 93 -21.003 24.988 26.770 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.233 27.510 28.243 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.520 26.475 30.094 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.556 26.767 28.677 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.970 25.124 29.027 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.088 25.916 29.783 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.518 24.568 28.704 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.395 25.831 28.146 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.805 26.246 25.461 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.899 26.905 24.768 1.00 1.00 C ATOM 1513 C ARG A 94 -24.844 27.645 25.711 1.00 1.00 C ATOM 1514 O ARG A 94 -25.328 27.101 26.707 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.647 25.878 23.874 1.00 1.00 C ATOM 1516 CG ARG A 94 -25.825 26.414 23.028 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.213 26.191 23.650 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.191 26.848 22.740 1.00 1.00 N ATOM 1519 CZ ARG A 94 -29.366 27.382 23.096 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -29.894 27.241 24.306 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -30.006 28.111 22.186 1.00 1.00 N ATOM 0 H ARG A 94 -22.820 25.231 25.358 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.472 27.679 24.130 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -23.922 25.426 23.198 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.025 25.082 24.515 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -25.682 27.482 22.865 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.799 25.936 22.049 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -27.428 25.127 23.749 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.264 26.621 24.650 1.00 1.00 H new ATOM 0 HE ARG A 94 -27.942 26.896 21.752 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -29.400 26.704 25.019 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -30.794 27.670 24.523 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -29.598 28.244 21.260 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -30.904 28.537 22.414 1.00 1.00 H new ATOM 1535 N GLY A 95 -25.116 28.934 25.413 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.973 29.796 26.217 1.00 1.00 C ATOM 1537 C GLY A 95 -25.288 30.425 27.403 1.00 1.00 C ATOM 1538 O GLY A 95 -25.940 31.082 28.213 1.00 1.00 O ATOM 0 H GLY A 95 -24.734 29.401 24.591 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.371 30.587 25.581 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.824 29.214 26.571 1.00 1.00 H new ATOM 1542 N THR A 96 -23.961 30.238 27.545 1.00 1.00 N ATOM 1543 CA THR A 96 -23.215 30.773 28.684 1.00 1.00 C ATOM 1544 C THR A 96 -21.874 31.309 28.245 1.00 1.00 C ATOM 1545 O THR A 96 -21.570 32.484 28.434 1.00 1.00 O ATOM 1546 CB THR A 96 -22.965 29.768 29.808 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.186 29.209 30.267 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.325 30.452 31.027 1.00 1.00 C ATOM 0 H THR A 96 -23.389 29.718 26.879 1.00 1.00 H new ATOM 0 HA THR A 96 -23.855 31.562 29.078 1.00 1.00 H new ATOM 0 HB THR A 96 -22.308 29.002 29.396 1.00 1.00 H new ATOM 0 HG1 THR A 96 -24.003 28.568 30.985 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.158 29.714 31.812 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.372 30.895 30.737 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.990 31.232 31.398 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.993 30.473 27.658 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.645 30.928 27.352 1.00 1.00 C ATOM 1558 C GLY A 97 -18.723 29.826 26.921 1.00 1.00 C ATOM 1559 O GLY A 97 -19.065 29.003 26.077 1.00 1.00 O ATOM 0 H GLY A 97 -21.194 29.508 27.397 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.694 31.679 26.563 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.227 31.417 28.232 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.506 29.792 27.487 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.440 28.917 27.040 1.00 1.00 C ATOM 1565 C TYR A 98 -15.700 28.342 28.249 1.00 1.00 C ATOM 1566 O TYR A 98 -15.815 28.840 29.369 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.428 29.673 26.128 1.00 1.00 C ATOM 1568 CG TYR A 98 -16.078 30.235 24.880 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.492 29.385 23.840 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.258 31.624 24.723 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -17.049 29.915 22.667 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.784 32.150 23.530 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.156 31.289 22.492 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.674 31.761 21.263 1.00 1.00 O ATOM 0 H TYR A 98 -17.244 30.383 28.276 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.890 28.111 26.460 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.972 30.486 26.693 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.625 28.994 25.841 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.380 28.316 23.945 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.989 32.292 25.528 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.398 29.248 21.892 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.901 33.217 23.415 1.00 1.00 H new ATOM 0 HH TYR A 98 -17.696 32.741 21.272 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.924 27.260 28.045 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.204 26.555 29.094 1.00 1.00 C ATOM 1586 C ARG A 99 -12.902 26.030 28.499 1.00 1.00 C ATOM 1587 O ARG A 99 -12.815 25.782 27.298 1.00 1.00 O ATOM 1588 CB ARG A 99 -15.089 25.400 29.652 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.426 24.417 30.646 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.425 23.440 31.296 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.654 22.298 31.898 1.00 1.00 N ATOM 1592 CZ ARG A 99 -14.319 21.178 31.247 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -14.565 20.962 29.965 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -13.705 20.214 31.922 1.00 1.00 N ATOM 0 H ARG A 99 -14.785 26.852 27.121 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.973 27.219 29.927 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.954 25.845 30.144 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.464 24.823 28.806 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.658 23.846 30.124 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -13.924 24.986 31.428 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.008 23.949 32.063 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -16.131 23.070 30.552 1.00 1.00 H new ATOM 0 HE ARG A 99 -14.366 22.383 32.873 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -15.039 21.674 29.409 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -14.281 20.083 29.532 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -13.499 20.337 32.913 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -13.439 19.350 31.449 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.828 25.896 29.303 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.552 25.346 28.883 1.00 1.00 C ATOM 1610 C PHE A 100 -10.288 24.104 29.712 1.00 1.00 C ATOM 1611 O PHE A 100 -10.595 24.051 30.903 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.418 26.379 29.101 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.118 25.985 28.449 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.985 26.037 27.052 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -7.000 25.647 29.227 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.750 25.778 26.445 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.767 25.369 28.623 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.641 25.442 27.229 1.00 1.00 C ATOM 0 H PHE A 100 -11.839 26.178 30.283 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.581 25.100 27.822 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.735 27.345 28.708 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.255 26.509 30.171 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.842 26.279 26.441 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.091 25.601 30.302 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.653 25.838 25.371 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.916 25.099 29.230 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.689 25.239 26.761 1.00 1.00 H new ATOM 1628 N SER A 101 -9.748 23.040 29.096 1.00 1.00 N ATOM 1629 CA SER A 101 -9.654 21.767 29.791 1.00 1.00 C ATOM 1630 C SER A 101 -8.463 20.994 29.281 1.00 1.00 C ATOM 1631 O SER A 101 -8.112 21.077 28.108 1.00 1.00 O ATOM 1632 CB SER A 101 -10.936 20.935 29.528 1.00 1.00 C ATOM 1633 OG SER A 101 -10.960 19.672 30.198 1.00 1.00 O ATOM 0 H SER A 101 -9.382 23.043 28.144 1.00 1.00 H new ATOM 0 HA SER A 101 -9.544 21.954 30.859 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.804 21.516 29.840 1.00 1.00 H new ATOM 0 HB3 SER A 101 -11.034 20.767 28.455 1.00 1.00 H new ATOM 0 HG SER A 101 -11.796 19.206 29.987 1.00 1.00 H new ATOM 1639 N THR A 102 -7.811 20.199 30.149 1.00 1.00 N ATOM 1640 CA THR A 102 -6.734 19.283 29.772 1.00 1.00 C ATOM 1641 C THR A 102 -7.164 18.200 28.797 1.00 1.00 C ATOM 1642 O THR A 102 -6.412 17.828 27.894 1.00 1.00 O ATOM 1643 CB THR A 102 -6.082 18.608 30.972 1.00 1.00 C ATOM 1644 OG1 THR A 102 -7.051 18.020 31.831 1.00 1.00 O ATOM 1645 CG2 THR A 102 -5.321 19.673 31.775 1.00 1.00 C ATOM 0 H THR A 102 -8.026 20.179 31.146 1.00 1.00 H new ATOM 0 HA THR A 102 -6.011 19.932 29.278 1.00 1.00 H new ATOM 0 HB THR A 102 -5.418 17.825 30.605 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.600 17.594 32.590 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.847 19.207 32.639 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.558 20.128 31.144 1.00 1.00 H new ATOM 0 HG23 THR A 102 -6.017 20.441 32.113 1.00 1.00 H new