USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 40 TYR OH : rot 130:sc= 0.954 USER MOD Set 1.2: A 93 GLN : amide:sc= 0 K(o=0.95,f=-0.29) USER MOD Set 2.1: A 55 SER OG : rot 50:sc= -0.179 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.8 K(o=-2,f=-3.8!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -1.43 X(o=-1.5,f=-1.8) USER MOD Set 3.2: A 39 THR OG1 : rot -151:sc= -0.576 USER MOD Set 3.3: A 113 SER OG : rot 94:sc= 0.464 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -8:sc= 0.923 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.98! C(o=-3!,f=-4!) USER MOD Single : A 23 MET CE :methyl 164:sc= -3.12! (180deg=-4.26!) USER MOD Single : A 26 GLN : amide:sc= -0.0987 K(o=-0.099,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 70:sc= 0.671 USER MOD Single : A 30 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.025 (180deg=-0.29) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -1.81 (180deg=-1.81) USER MOD Single : A 59 ASN : amide:sc= -2.45 K(o=-2.5,f=-3.6!) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.0444 (180deg=-0.818) USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= -1.32! (180deg=-3.06!) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00947) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-5!) USER MOD Single : A 77 THR OG1 : rot -44:sc= 0.645 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 33:sc= 0.46 USER MOD Single : A 91 TYR OH : rot 178:sc= 0.0551 USER MOD Single : A 92 TYR OH : rot 130:sc= -0.515 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -6.1! C(o=-6.1!,f=-14!) USER MOD Single : A 96 SER OG : rot 179:sc= 0.377 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -2.48! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -131:sc= 0.292 (180deg=-0.287) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -48:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 2.037 -11.056 -9.806 1.00 0.00 N ATOM 117 CA ILE A 11 2.218 -9.655 -10.163 1.00 0.00 C ATOM 118 C ILE A 11 3.428 -9.058 -9.452 1.00 0.00 C ATOM 119 O ILE A 11 3.579 -9.197 -8.237 1.00 0.00 O ATOM 120 CB ILE A 11 0.971 -8.820 -9.818 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.240 -9.325 -10.606 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.223 -7.348 -10.108 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.558 -8.779 -10.104 1.00 0.00 C ATOM 0 HA ILE A 11 2.380 -9.623 -11.240 1.00 0.00 H new ATOM 0 HB ILE A 11 0.760 -8.929 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.120 -9.054 -11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.266 -10.414 -10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.333 -6.771 -9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.062 -6.997 -9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.455 -7.220 -11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.372 -9.179 -10.709 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.701 -9.072 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.553 -7.691 -10.177 1.00 0.00 H new ATOM 135 N ASP A 12 4.287 -8.391 -10.215 1.00 0.00 N ATOM 136 CA ASP A 12 5.482 -7.770 -9.658 1.00 0.00 C ATOM 137 C ASP A 12 5.170 -6.379 -9.115 1.00 0.00 C ATOM 138 O ASP A 12 5.004 -5.427 -9.877 1.00 0.00 O ATOM 139 CB ASP A 12 6.580 -7.681 -10.720 1.00 0.00 C ATOM 140 CG ASP A 12 7.915 -7.261 -10.139 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.949 -6.263 -9.388 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.928 -7.929 -10.435 1.00 0.00 O ATOM 0 H ASP A 12 4.177 -8.267 -11.221 1.00 0.00 H new ATOM 0 HA ASP A 12 5.833 -8.392 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.688 -8.649 -11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.281 -6.968 -11.488 1.00 0.00 H new ATOM 147 N TYR A 13 5.088 -6.270 -7.794 1.00 0.00 N ATOM 148 CA TYR A 13 4.791 -4.996 -7.149 1.00 0.00 C ATOM 149 C TYR A 13 6.053 -4.150 -7.007 1.00 0.00 C ATOM 150 O TYR A 13 5.990 -2.921 -6.969 1.00 0.00 O ATOM 151 CB TYR A 13 4.163 -5.231 -5.773 1.00 0.00 C ATOM 152 CG TYR A 13 3.145 -6.349 -5.755 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.108 -6.384 -6.679 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.219 -7.368 -4.814 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.175 -7.402 -6.666 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.291 -8.391 -4.795 1.00 0.00 C ATOM 157 CZ TYR A 13 1.270 -8.404 -5.722 1.00 0.00 C ATOM 158 OH TYR A 13 0.343 -9.420 -5.706 1.00 0.00 O ATOM 0 H TYR A 13 5.223 -7.048 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 13 4.082 -4.456 -7.777 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.952 -5.458 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.685 -4.310 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.030 -5.602 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.016 -7.360 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.375 -7.414 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.365 -9.177 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 13 0.554 -10.044 -4.980 1.00 0.00 H new ATOM 168 N THR A 14 7.200 -4.818 -6.928 1.00 0.00 N ATOM 169 CA THR A 14 8.476 -4.129 -6.790 1.00 0.00 C ATOM 170 C THR A 14 8.913 -3.509 -8.112 1.00 0.00 C ATOM 171 O THR A 14 10.013 -2.969 -8.223 1.00 0.00 O ATOM 172 CB THR A 14 9.579 -5.085 -6.296 1.00 0.00 C ATOM 173 OG1 THR A 14 9.760 -6.152 -7.234 1.00 0.00 O ATOM 174 CG2 THR A 14 9.228 -5.657 -4.932 1.00 0.00 C ATOM 0 H THR A 14 7.271 -5.835 -6.957 1.00 0.00 H new ATOM 0 HA THR A 14 8.331 -3.340 -6.052 1.00 0.00 H new ATOM 0 HB THR A 14 10.506 -4.519 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.058 -6.110 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.021 -6.329 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.120 -4.844 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.290 -6.208 -4.999 1.00 0.00 H new ATOM 182 N ALA A 15 8.043 -3.590 -9.115 1.00 0.00 N ATOM 183 CA ALA A 15 8.339 -3.034 -10.429 1.00 0.00 C ATOM 184 C ALA A 15 7.758 -1.630 -10.574 1.00 0.00 C ATOM 185 O ALA A 15 8.257 -0.820 -11.355 1.00 0.00 O ATOM 186 CB ALA A 15 7.798 -3.946 -11.521 1.00 0.00 C ATOM 0 H ALA A 15 7.128 -4.035 -9.042 1.00 0.00 H new ATOM 0 HA ALA A 15 9.422 -2.964 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.026 -3.519 -12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.262 -4.929 -11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.718 -4.044 -11.411 1.00 0.00 H new ATOM 192 N TYR A 16 6.703 -1.350 -9.817 1.00 0.00 N ATOM 193 CA TYR A 16 6.054 -0.046 -9.864 1.00 0.00 C ATOM 194 C TYR A 16 6.849 0.987 -9.071 1.00 0.00 C ATOM 195 O TYR A 16 7.533 0.669 -8.098 1.00 0.00 O ATOM 196 CB TYR A 16 4.630 -0.142 -9.315 1.00 0.00 C ATOM 197 CG TYR A 16 3.679 -0.887 -10.223 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.182 -0.295 -11.378 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.277 -2.184 -9.927 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.312 -0.971 -12.210 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.409 -2.869 -10.755 1.00 0.00 C ATOM 202 CZ TYR A 16 1.930 -2.258 -11.895 1.00 0.00 C ATOM 203 OH TYR A 16 1.063 -2.937 -12.722 1.00 0.00 O ATOM 0 H TYR A 16 6.279 -2.009 -9.164 1.00 0.00 H new ATOM 0 HA TYR A 16 6.014 0.275 -10.905 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.657 -0.638 -8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.246 0.864 -9.148 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.482 0.712 -11.629 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.650 -2.665 -9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.933 -0.495 -13.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.107 -3.877 -10.511 1.00 0.00 H new ATOM 0 HH TYR A 16 0.896 -3.831 -12.358 1.00 0.00 H new ATOM 213 N PRO A 17 6.757 2.256 -9.497 1.00 0.00 N ATOM 214 CA PRO A 17 7.460 3.363 -8.840 1.00 0.00 C ATOM 215 C PRO A 17 6.885 3.680 -7.464 1.00 0.00 C ATOM 216 O PRO A 17 7.588 4.187 -6.590 1.00 0.00 O ATOM 217 CB PRO A 17 7.238 4.539 -9.795 1.00 0.00 C ATOM 218 CG PRO A 17 5.981 4.206 -10.521 1.00 0.00 C ATOM 219 CD PRO A 17 5.961 2.708 -10.649 1.00 0.00 C ATOM 0 HA PRO A 17 8.510 3.131 -8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.144 5.479 -9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.075 4.653 -10.484 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.108 4.563 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.959 4.682 -11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.945 2.315 -10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.397 2.380 -11.592 1.00 0.00 H new ATOM 227 N TRP A 18 5.605 3.378 -7.278 1.00 0.00 N ATOM 228 CA TRP A 18 4.936 3.629 -6.007 1.00 0.00 C ATOM 229 C TRP A 18 5.223 2.513 -5.010 1.00 0.00 C ATOM 230 O TRP A 18 4.567 2.408 -3.973 1.00 0.00 O ATOM 231 CB TRP A 18 3.428 3.767 -6.219 1.00 0.00 C ATOM 232 CG TRP A 18 2.870 2.758 -7.176 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.489 2.978 -8.469 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.626 1.371 -6.915 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.023 1.813 -9.028 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.099 0.812 -8.095 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.804 0.548 -5.800 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.747 -0.532 -8.189 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.455 -0.786 -5.895 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.932 -1.315 -7.082 1.00 0.00 C ATOM 0 H TRP A 18 5.009 2.959 -7.992 1.00 0.00 H new ATOM 0 HA TRP A 18 5.325 4.562 -5.599 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.922 3.666 -5.259 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.210 4.769 -6.590 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.546 3.929 -8.978 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.677 1.710 -9.982 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.207 0.947 -4.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.343 -0.942 -9.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.588 -1.432 -5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.670 -2.362 -7.124 1.00 0.00 H new ATOM 251 N PHE A 19 6.208 1.679 -5.329 1.00 0.00 N ATOM 252 CA PHE A 19 6.581 0.568 -4.460 1.00 0.00 C ATOM 253 C PHE A 19 7.582 1.019 -3.400 1.00 0.00 C ATOM 254 O PHE A 19 8.639 1.560 -3.720 1.00 0.00 O ATOM 255 CB PHE A 19 7.176 -0.575 -5.286 1.00 0.00 C ATOM 256 CG PHE A 19 8.035 -1.510 -4.483 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.460 -2.454 -3.647 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.417 -1.445 -4.565 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.248 -3.314 -2.907 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.209 -2.303 -3.828 1.00 0.00 C ATOM 261 CZ PHE A 19 9.625 -3.240 -2.998 1.00 0.00 C ATOM 0 H PHE A 19 6.762 1.751 -6.182 1.00 0.00 H new ATOM 0 HA PHE A 19 5.681 0.214 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.366 -1.142 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.770 -0.155 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.384 -2.518 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.880 -0.715 -5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.788 -4.044 -2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.285 -2.241 -3.900 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.243 -3.913 -2.422 1.00 0.00 H new ATOM 271 N ALA A 20 7.238 0.791 -2.137 1.00 0.00 N ATOM 272 CA ALA A 20 8.105 1.172 -1.029 1.00 0.00 C ATOM 273 C ALA A 20 9.096 0.061 -0.700 1.00 0.00 C ATOM 274 O ALA A 20 10.305 0.229 -0.851 1.00 0.00 O ATOM 275 CB ALA A 20 7.273 1.520 0.197 1.00 0.00 C ATOM 0 H ALA A 20 6.365 0.344 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 20 8.673 2.052 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.934 1.803 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.609 2.352 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.679 0.655 0.491 1.00 0.00 H new ATOM 281 N GLY A 21 8.575 -1.077 -0.249 1.00 0.00 N ATOM 282 CA GLY A 21 9.428 -2.199 0.094 1.00 0.00 C ATOM 283 C GLY A 21 9.993 -2.089 1.496 1.00 0.00 C ATOM 284 O GLY A 21 10.881 -1.278 1.754 1.00 0.00 O ATOM 0 H GLY A 21 7.577 -1.241 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.859 -3.124 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.248 -2.260 -0.621 1.00 0.00 H new ATOM 288 N ASN A 22 9.476 -2.909 2.406 1.00 0.00 N ATOM 289 CA ASN A 22 9.932 -2.899 3.792 1.00 0.00 C ATOM 290 C ASN A 22 10.322 -1.489 4.225 1.00 0.00 C ATOM 291 O ASN A 22 11.438 -1.259 4.691 1.00 0.00 O ATOM 292 CB ASN A 22 11.122 -3.846 3.964 1.00 0.00 C ATOM 293 CG ASN A 22 12.414 -3.252 3.438 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.626 -3.174 2.228 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.286 -2.832 4.347 1.00 0.00 N ATOM 0 H ASN A 22 8.741 -3.589 2.209 1.00 0.00 H new ATOM 0 HA ASN A 22 9.111 -3.239 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.240 -4.088 5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.917 -4.781 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.174 -2.425 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.068 -2.916 5.340 1.00 0.00 H new ATOM 302 N MET A 23 9.394 -0.550 4.071 1.00 0.00 N ATOM 303 CA MET A 23 9.641 0.836 4.449 1.00 0.00 C ATOM 304 C MET A 23 9.387 1.046 5.939 1.00 0.00 C ATOM 305 O MET A 23 8.586 0.338 6.547 1.00 0.00 O ATOM 306 CB MET A 23 8.752 1.775 3.632 1.00 0.00 C ATOM 307 CG MET A 23 9.049 3.248 3.863 1.00 0.00 C ATOM 308 SD MET A 23 10.378 3.863 2.811 1.00 0.00 S ATOM 309 CE MET A 23 9.486 5.031 1.788 1.00 0.00 C ATOM 0 H MET A 23 8.465 -0.724 3.687 1.00 0.00 H new ATOM 0 HA MET A 23 10.686 1.063 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.876 1.550 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.708 1.580 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.146 3.830 3.678 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.318 3.401 4.908 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.194 5.693 1.289 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.906 4.491 1.040 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.814 5.622 2.411 1.00 0.00 H new ATOM 319 N GLU A 24 10.075 2.025 6.520 1.00 0.00 N ATOM 320 CA GLU A 24 9.925 2.326 7.938 1.00 0.00 C ATOM 321 C GLU A 24 8.941 3.473 8.148 1.00 0.00 C ATOM 322 O GLU A 24 9.114 4.562 7.600 1.00 0.00 O ATOM 323 CB GLU A 24 11.279 2.682 8.554 1.00 0.00 C ATOM 324 CG GLU A 24 12.296 1.556 8.479 1.00 0.00 C ATOM 325 CD GLU A 24 12.202 0.605 9.657 1.00 0.00 C ATOM 326 OE1 GLU A 24 11.087 0.115 9.935 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.241 0.352 10.301 1.00 0.00 O ATOM 0 H GLU A 24 10.741 2.622 6.030 1.00 0.00 H new ATOM 0 HA GLU A 24 9.533 1.437 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.681 3.558 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.132 2.959 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.148 0.999 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.299 1.980 8.438 1.00 0.00 H new ATOM 334 N ARG A 25 7.908 3.221 8.946 1.00 0.00 N ATOM 335 CA ARG A 25 6.895 4.231 9.228 1.00 0.00 C ATOM 336 C ARG A 25 7.519 5.622 9.298 1.00 0.00 C ATOM 337 O ARG A 25 7.283 6.463 8.431 1.00 0.00 O ATOM 338 CB ARG A 25 6.181 3.915 10.543 1.00 0.00 C ATOM 339 CG ARG A 25 4.955 3.033 10.373 1.00 0.00 C ATOM 340 CD ARG A 25 4.198 2.874 11.683 1.00 0.00 C ATOM 341 NE ARG A 25 5.021 2.255 12.719 1.00 0.00 N ATOM 342 CZ ARG A 25 4.529 1.753 13.845 1.00 0.00 C ATOM 343 NH1 ARG A 25 3.225 1.794 14.080 1.00 0.00 N ATOM 344 NH2 ARG A 25 5.342 1.206 14.740 1.00 0.00 N ATOM 0 H ARG A 25 7.751 2.326 9.409 1.00 0.00 H new ATOM 0 HA ARG A 25 6.169 4.217 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.881 3.423 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.883 4.849 11.019 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.296 3.465 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.259 2.053 10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.858 3.851 12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.308 2.267 11.516 1.00 0.00 H new ATOM 0 HE ARG A 25 6.029 2.206 12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.596 2.212 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.851 1.407 14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.346 1.171 14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.963 0.821 15.605 1.00 0.00 H new ATOM 358 N GLN A 26 8.317 5.855 10.335 1.00 0.00 N ATOM 359 CA GLN A 26 8.974 7.145 10.517 1.00 0.00 C ATOM 360 C GLN A 26 9.569 7.643 9.205 1.00 0.00 C ATOM 361 O GLN A 26 9.208 8.715 8.718 1.00 0.00 O ATOM 362 CB GLN A 26 10.070 7.036 11.580 1.00 0.00 C ATOM 363 CG GLN A 26 10.362 8.349 12.288 1.00 0.00 C ATOM 364 CD GLN A 26 11.760 8.398 12.874 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.670 7.721 12.394 1.00 0.00 O ATOM 366 NE2 GLN A 26 11.938 9.203 13.914 1.00 0.00 N ATOM 0 H GLN A 26 8.524 5.169 11.061 1.00 0.00 H new ATOM 0 HA GLN A 26 8.224 7.863 10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.775 6.292 12.320 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.985 6.674 11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.238 9.172 11.584 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.633 8.498 13.084 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.155 9.746 14.279 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.858 9.279 14.348 1.00 0.00 H new ATOM 375 N GLN A 27 10.481 6.861 8.638 1.00 0.00 N ATOM 376 CA GLN A 27 11.126 7.224 7.383 1.00 0.00 C ATOM 377 C GLN A 27 10.092 7.649 6.343 1.00 0.00 C ATOM 378 O GLN A 27 10.362 8.502 5.496 1.00 0.00 O ATOM 379 CB GLN A 27 11.951 6.052 6.849 1.00 0.00 C ATOM 380 CG GLN A 27 13.151 6.479 6.020 1.00 0.00 C ATOM 381 CD GLN A 27 14.178 5.375 5.868 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.994 5.143 6.760 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.143 4.685 4.733 1.00 0.00 N ATOM 0 H GLN A 27 10.790 5.971 9.029 1.00 0.00 H new ATOM 0 HA GLN A 27 11.790 8.067 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.296 5.449 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.309 5.414 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.812 6.793 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.620 7.345 6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.449 4.911 4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.810 3.929 4.575 1.00 0.00 H new ATOM 392 N THR A 28 8.909 7.049 6.413 1.00 0.00 N ATOM 393 CA THR A 28 7.835 7.363 5.478 1.00 0.00 C ATOM 394 C THR A 28 7.227 8.729 5.778 1.00 0.00 C ATOM 395 O THR A 28 6.971 9.517 4.868 1.00 0.00 O ATOM 396 CB THR A 28 6.723 6.298 5.521 1.00 0.00 C ATOM 397 OG1 THR A 28 7.300 4.992 5.631 1.00 0.00 O ATOM 398 CG2 THR A 28 5.857 6.371 4.272 1.00 0.00 C ATOM 0 H THR A 28 8.669 6.342 7.108 1.00 0.00 H new ATOM 0 HA THR A 28 8.277 7.376 4.482 1.00 0.00 H new ATOM 0 HB THR A 28 6.096 6.493 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.700 4.885 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.078 5.610 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.397 7.357 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.475 6.199 3.391 1.00 0.00 H new ATOM 406 N ASP A 29 7.001 9.002 7.058 1.00 0.00 N ATOM 407 CA ASP A 29 6.424 10.273 7.478 1.00 0.00 C ATOM 408 C ASP A 29 7.459 11.391 7.403 1.00 0.00 C ATOM 409 O ASP A 29 7.123 12.570 7.508 1.00 0.00 O ATOM 410 CB ASP A 29 5.876 10.164 8.902 1.00 0.00 C ATOM 411 CG ASP A 29 4.951 11.312 9.256 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.457 12.425 9.506 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.721 11.097 9.284 1.00 0.00 O ATOM 0 H ASP A 29 7.209 8.360 7.823 1.00 0.00 H new ATOM 0 HA ASP A 29 5.605 10.513 6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.339 9.222 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.707 10.140 9.607 1.00 0.00 H new ATOM 418 N ASN A 30 8.720 11.011 7.221 1.00 0.00 N ATOM 419 CA ASN A 30 9.805 11.981 7.134 1.00 0.00 C ATOM 420 C ASN A 30 10.010 12.439 5.693 1.00 0.00 C ATOM 421 O ASN A 30 10.351 13.595 5.440 1.00 0.00 O ATOM 422 CB ASN A 30 11.102 11.378 7.679 1.00 0.00 C ATOM 423 CG ASN A 30 11.202 11.491 9.188 1.00 0.00 C ATOM 424 OD1 ASN A 30 11.026 12.569 9.754 1.00 0.00 O ATOM 425 ND2 ASN A 30 11.486 10.373 9.847 1.00 0.00 N ATOM 0 H ASN A 30 9.015 10.039 7.131 1.00 0.00 H new ATOM 0 HA ASN A 30 9.534 12.847 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.161 10.328 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.954 11.882 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.566 10.387 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.624 9.501 9.336 1.00 0.00 H new ATOM 432 N LEU A 31 9.801 11.525 4.752 1.00 0.00 N ATOM 433 CA LEU A 31 9.962 11.834 3.336 1.00 0.00 C ATOM 434 C LEU A 31 8.647 12.316 2.730 1.00 0.00 C ATOM 435 O LEU A 31 8.636 13.170 1.843 1.00 0.00 O ATOM 436 CB LEU A 31 10.465 10.603 2.579 1.00 0.00 C ATOM 437 CG LEU A 31 9.445 9.483 2.369 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.676 9.695 1.075 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.138 8.127 2.364 1.00 0.00 C ATOM 0 H LEU A 31 9.520 10.564 4.944 1.00 0.00 H new ATOM 0 HA LEU A 31 10.697 12.634 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.828 10.924 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.319 10.193 3.118 1.00 0.00 H new ATOM 0 HG LEU A 31 8.735 9.504 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.955 8.888 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.149 10.648 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.371 9.701 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.398 7.341 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.870 8.096 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.642 7.973 3.318 1.00 0.00 H new ATOM 451 N LEU A 32 7.541 11.765 3.218 1.00 0.00 N ATOM 452 CA LEU A 32 6.220 12.141 2.727 1.00 0.00 C ATOM 453 C LEU A 32 5.848 13.548 3.185 1.00 0.00 C ATOM 454 O LEU A 32 5.319 14.345 2.411 1.00 0.00 O ATOM 455 CB LEU A 32 5.170 11.140 3.213 1.00 0.00 C ATOM 456 CG LEU A 32 5.094 9.821 2.443 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.948 8.966 2.962 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.933 10.083 0.952 1.00 0.00 C ATOM 0 H LEU A 32 7.533 11.057 3.952 1.00 0.00 H new ATOM 0 HA LEU A 32 6.248 12.129 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.369 10.915 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.192 11.620 3.170 1.00 0.00 H new ATOM 0 HG LEU A 32 6.026 9.277 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.909 8.031 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.105 8.750 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.008 9.503 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.881 9.133 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.017 10.647 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.786 10.656 0.589 1.00 0.00 H new ATOM 470 N LYS A 33 6.131 13.847 4.449 1.00 0.00 N ATOM 471 CA LYS A 33 5.831 15.158 5.010 1.00 0.00 C ATOM 472 C LYS A 33 6.277 16.270 4.066 1.00 0.00 C ATOM 473 O LYS A 33 5.645 17.324 3.991 1.00 0.00 O ATOM 474 CB LYS A 33 6.515 15.323 6.369 1.00 0.00 C ATOM 475 CG LYS A 33 8.030 15.231 6.302 1.00 0.00 C ATOM 476 CD LYS A 33 8.656 15.333 7.683 1.00 0.00 C ATOM 477 CE LYS A 33 8.828 16.782 8.110 1.00 0.00 C ATOM 478 NZ LYS A 33 9.881 17.474 7.315 1.00 0.00 N ATOM 0 H LYS A 33 6.568 13.198 5.104 1.00 0.00 H new ATOM 0 HA LYS A 33 4.751 15.230 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.236 16.288 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.142 14.557 7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.318 14.287 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.416 16.028 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.030 14.811 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.626 14.835 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.881 17.309 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.088 16.820 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.220 18.306 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.675 16.823 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.484 17.777 6.402 1.00 0.00 H new ATOM 492 N SER A 34 7.367 16.028 3.347 1.00 0.00 N ATOM 493 CA SER A 34 7.899 17.009 2.409 1.00 0.00 C ATOM 494 C SER A 34 7.163 16.940 1.075 1.00 0.00 C ATOM 495 O SER A 34 7.088 17.926 0.341 1.00 0.00 O ATOM 496 CB SER A 34 9.396 16.780 2.192 1.00 0.00 C ATOM 497 OG SER A 34 10.132 17.059 3.370 1.00 0.00 O ATOM 0 H SER A 34 7.900 15.160 3.396 1.00 0.00 H new ATOM 0 HA SER A 34 7.749 18.001 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.569 15.748 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.750 17.415 1.380 1.00 0.00 H new ATOM 0 HG SER A 34 11.085 16.903 3.205 1.00 0.00 H new ATOM 503 N HIS A 35 6.620 15.766 0.765 1.00 0.00 N ATOM 504 CA HIS A 35 5.889 15.566 -0.481 1.00 0.00 C ATOM 505 C HIS A 35 4.613 16.401 -0.502 1.00 0.00 C ATOM 506 O HIS A 35 4.311 17.115 0.454 1.00 0.00 O ATOM 507 CB HIS A 35 5.549 14.088 -0.666 1.00 0.00 C ATOM 508 CG HIS A 35 6.621 13.309 -1.365 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.893 13.446 -2.710 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.490 12.383 -0.899 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.883 12.635 -3.041 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.264 11.980 -1.959 1.00 0.00 N ATOM 0 H HIS A 35 6.673 14.939 1.360 1.00 0.00 H new ATOM 0 HA HIS A 35 6.527 15.889 -1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.365 13.641 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.622 14.005 -1.234 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.407 14.075 -3.349 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.562 12.027 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.308 12.526 -4.028 1.00 0.00 H new ATOM 521 N ALA A 36 3.867 16.307 -1.598 1.00 0.00 N ATOM 522 CA ALA A 36 2.623 17.052 -1.742 1.00 0.00 C ATOM 523 C ALA A 36 1.454 16.293 -1.124 1.00 0.00 C ATOM 524 O ALA A 36 1.636 15.230 -0.530 1.00 0.00 O ATOM 525 CB ALA A 36 2.349 17.343 -3.210 1.00 0.00 C ATOM 0 H ALA A 36 4.103 15.722 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 36 2.731 17.997 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.417 17.900 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.167 17.933 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.267 16.404 -3.758 1.00 0.00 H new ATOM 531 N SER A 37 0.253 16.845 -1.268 1.00 0.00 N ATOM 532 CA SER A 37 -0.945 16.222 -0.720 1.00 0.00 C ATOM 533 C SER A 37 -1.543 15.228 -1.711 1.00 0.00 C ATOM 534 O SER A 37 -2.757 15.036 -1.760 1.00 0.00 O ATOM 535 CB SER A 37 -1.983 17.289 -0.362 1.00 0.00 C ATOM 536 OG SER A 37 -2.794 16.868 0.721 1.00 0.00 O ATOM 0 H SER A 37 0.085 17.723 -1.760 1.00 0.00 H new ATOM 0 HA SER A 37 -0.662 15.682 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.478 18.219 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.609 17.498 -1.230 1.00 0.00 H new ATOM 0 HG SER A 37 -3.448 17.567 0.931 1.00 0.00 H new ATOM 542 N GLY A 38 -0.678 14.598 -2.501 1.00 0.00 N ATOM 543 CA GLY A 38 -1.138 13.631 -3.481 1.00 0.00 C ATOM 544 C GLY A 38 -0.148 12.502 -3.690 1.00 0.00 C ATOM 545 O GLY A 38 -0.312 11.681 -4.594 1.00 0.00 O ATOM 0 H GLY A 38 0.332 14.740 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.093 13.217 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.314 14.136 -4.431 1.00 0.00 H new ATOM 549 N THR A 39 0.885 12.459 -2.854 1.00 0.00 N ATOM 550 CA THR A 39 1.906 11.425 -2.953 1.00 0.00 C ATOM 551 C THR A 39 1.503 10.178 -2.175 1.00 0.00 C ATOM 552 O THR A 39 1.214 10.246 -0.980 1.00 0.00 O ATOM 553 CB THR A 39 3.265 11.927 -2.429 1.00 0.00 C ATOM 554 OG1 THR A 39 3.630 13.141 -3.096 1.00 0.00 O ATOM 555 CG2 THR A 39 4.348 10.879 -2.644 1.00 0.00 C ATOM 0 H THR A 39 1.036 13.129 -2.100 1.00 0.00 H new ATOM 0 HA THR A 39 2.002 11.175 -4.010 1.00 0.00 H new ATOM 0 HB THR A 39 3.170 12.115 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.607 13.211 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.299 11.255 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.082 9.966 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.440 10.664 -3.709 1.00 0.00 H new ATOM 563 N TYR A 40 1.486 9.039 -2.860 1.00 0.00 N ATOM 564 CA TYR A 40 1.117 7.777 -2.233 1.00 0.00 C ATOM 565 C TYR A 40 2.207 6.728 -2.436 1.00 0.00 C ATOM 566 O TYR A 40 3.104 6.900 -3.262 1.00 0.00 O ATOM 567 CB TYR A 40 -0.207 7.268 -2.803 1.00 0.00 C ATOM 568 CG TYR A 40 -0.093 6.725 -4.210 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.021 7.580 -5.299 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.097 5.356 -4.449 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.127 7.088 -6.585 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.009 4.855 -5.733 1.00 0.00 C ATOM 573 CZ TYR A 40 0.120 5.725 -6.798 1.00 0.00 C ATOM 574 OH TYR A 40 0.225 5.231 -8.077 1.00 0.00 O ATOM 0 H TYR A 40 1.724 8.965 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 40 1.001 7.953 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.596 6.486 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.933 8.081 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.027 8.648 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.184 4.672 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.215 7.767 -7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.005 3.788 -5.902 1.00 0.00 H new ATOM 0 HH TYR A 40 0.925 4.545 -8.106 1.00 0.00 H new ATOM 584 N LEU A 41 2.122 5.642 -1.675 1.00 0.00 N ATOM 585 CA LEU A 41 3.100 4.563 -1.770 1.00 0.00 C ATOM 586 C LEU A 41 2.570 3.289 -1.122 1.00 0.00 C ATOM 587 O LEU A 41 1.630 3.329 -0.328 1.00 0.00 O ATOM 588 CB LEU A 41 4.413 4.979 -1.105 1.00 0.00 C ATOM 589 CG LEU A 41 4.542 4.658 0.384 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.779 3.171 0.592 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.667 5.471 1.010 1.00 0.00 C ATOM 0 H LEU A 41 1.387 5.485 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 41 3.282 4.363 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.234 4.494 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.539 6.054 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 41 3.607 4.928 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.868 2.962 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.941 2.608 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.698 2.875 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.744 5.229 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.608 5.232 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.455 6.534 0.895 1.00 0.00 H new ATOM 603 N ILE A 42 3.179 2.159 -1.466 1.00 0.00 N ATOM 604 CA ILE A 42 2.770 0.873 -0.914 1.00 0.00 C ATOM 605 C ILE A 42 3.955 0.138 -0.295 1.00 0.00 C ATOM 606 O ILE A 42 4.863 -0.301 -1.000 1.00 0.00 O ATOM 607 CB ILE A 42 2.131 -0.024 -1.991 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.744 0.504 -2.367 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.043 -1.461 -1.500 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.763 1.498 -3.506 1.00 0.00 C ATOM 0 H ILE A 42 3.957 2.108 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 42 2.031 1.082 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 42 2.760 -0.004 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.106 -0.337 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.294 0.975 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.589 -2.082 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.044 -1.831 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.433 -1.500 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.254 1.829 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.374 2.357 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.183 1.026 -4.394 1.00 0.00 H new ATOM 622 N ARG A 43 3.937 0.007 1.027 1.00 0.00 N ATOM 623 CA ARG A 43 5.009 -0.675 1.742 1.00 0.00 C ATOM 624 C ARG A 43 4.560 -2.058 2.203 1.00 0.00 C ATOM 625 O ARG A 43 3.399 -2.430 2.043 1.00 0.00 O ATOM 626 CB ARG A 43 5.458 0.155 2.945 1.00 0.00 C ATOM 627 CG ARG A 43 4.354 0.402 3.960 1.00 0.00 C ATOM 628 CD ARG A 43 4.594 1.682 4.745 1.00 0.00 C ATOM 629 NE ARG A 43 5.434 1.456 5.918 1.00 0.00 N ATOM 630 CZ ARG A 43 5.003 0.870 7.029 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.749 0.452 7.118 1.00 0.00 N ATOM 632 NH2 ARG A 43 5.830 0.699 8.054 1.00 0.00 N ATOM 0 H ARG A 43 3.192 0.364 1.625 1.00 0.00 H new ATOM 0 HA ARG A 43 5.850 -0.794 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.286 -0.354 3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.838 1.114 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.394 0.463 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.295 -0.442 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.067 2.421 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.637 2.099 5.059 1.00 0.00 H new ATOM 0 HE ARG A 43 6.405 1.765 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.112 0.580 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.421 0.002 7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.797 1.018 7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.498 0.249 8.907 1.00 0.00 H new ATOM 646 N GLU A 44 5.490 -2.816 2.776 1.00 0.00 N ATOM 647 CA GLU A 44 5.191 -4.159 3.259 1.00 0.00 C ATOM 648 C GLU A 44 5.623 -4.323 4.713 1.00 0.00 C ATOM 649 O GLU A 44 6.810 -4.471 5.005 1.00 0.00 O ATOM 650 CB GLU A 44 5.885 -5.206 2.387 1.00 0.00 C ATOM 651 CG GLU A 44 6.094 -6.539 3.086 1.00 0.00 C ATOM 652 CD GLU A 44 6.550 -7.630 2.137 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.777 -7.981 1.221 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.679 -8.134 2.311 1.00 0.00 O ATOM 0 H GLU A 44 6.457 -2.523 2.917 1.00 0.00 H new ATOM 0 HA GLU A 44 4.113 -4.306 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.293 -5.367 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.852 -4.817 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.834 -6.418 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.163 -6.844 3.564 1.00 0.00 H new ATOM 749 N ARG A 51 0.542 -8.783 5.361 1.00 0.00 N ATOM 750 CA ARG A 51 1.922 -8.504 4.983 1.00 0.00 C ATOM 751 C ARG A 51 1.984 -7.419 3.912 1.00 0.00 C ATOM 752 O ARG A 51 2.705 -7.548 2.923 1.00 0.00 O ATOM 753 CB ARG A 51 2.600 -9.777 4.473 1.00 0.00 C ATOM 754 CG ARG A 51 4.115 -9.675 4.403 1.00 0.00 C ATOM 755 CD ARG A 51 4.763 -10.098 5.712 1.00 0.00 C ATOM 756 NE ARG A 51 5.062 -11.528 5.737 1.00 0.00 N ATOM 757 CZ ARG A 51 5.425 -12.182 6.835 1.00 0.00 C ATOM 758 NH1 ARG A 51 5.533 -11.540 7.989 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.681 -13.483 6.778 1.00 0.00 N ATOM 0 HA ARG A 51 2.450 -8.148 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.330 -10.608 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.214 -10.011 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.486 -10.303 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.401 -8.650 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.683 -9.533 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.100 -9.852 6.541 1.00 0.00 H new ATOM 0 HE ARG A 51 4.988 -12.052 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.337 -10.540 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.812 -12.046 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.599 -13.981 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.960 -13.985 7.621 1.00 0.00 H new ATOM 773 N PHE A 52 1.223 -6.349 4.118 1.00 0.00 N ATOM 774 CA PHE A 52 1.189 -5.241 3.170 1.00 0.00 C ATOM 775 C PHE A 52 0.607 -3.989 3.818 1.00 0.00 C ATOM 776 O PHE A 52 -0.245 -4.072 4.702 1.00 0.00 O ATOM 777 CB PHE A 52 0.367 -5.621 1.938 1.00 0.00 C ATOM 778 CG PHE A 52 1.096 -6.525 0.985 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.257 -6.102 0.360 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.619 -7.798 0.717 1.00 0.00 C ATOM 781 CE1 PHE A 52 2.932 -6.932 -0.517 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.290 -8.632 -0.158 1.00 0.00 C ATOM 783 CZ PHE A 52 2.446 -8.199 -0.777 1.00 0.00 C ATOM 0 H PHE A 52 0.622 -6.226 4.933 1.00 0.00 H new ATOM 0 HA PHE A 52 2.213 -5.027 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.551 -6.112 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.074 -4.712 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.640 -5.112 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.286 -8.142 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.837 -6.590 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.910 -9.623 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.969 -8.849 -1.463 1.00 0.00 H new ATOM 793 N ALA A 53 1.075 -2.827 3.372 1.00 0.00 N ATOM 794 CA ALA A 53 0.599 -1.557 3.907 1.00 0.00 C ATOM 795 C ALA A 53 0.635 -0.465 2.842 1.00 0.00 C ATOM 796 O ALA A 53 1.327 -0.594 1.832 1.00 0.00 O ATOM 797 CB ALA A 53 1.432 -1.147 5.113 1.00 0.00 C ATOM 0 H ALA A 53 1.782 -2.739 2.642 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.436 -1.689 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.066 -0.197 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.353 -1.911 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.475 -1.039 4.815 1.00 0.00 H new ATOM 803 N ILE A 54 -0.114 0.607 3.075 1.00 0.00 N ATOM 804 CA ILE A 54 -0.168 1.720 2.136 1.00 0.00 C ATOM 805 C ILE A 54 -0.070 3.057 2.862 1.00 0.00 C ATOM 806 O ILE A 54 -0.763 3.289 3.853 1.00 0.00 O ATOM 807 CB ILE A 54 -1.463 1.693 1.304 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.673 0.307 0.691 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.416 2.756 0.216 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.127 -0.035 0.456 1.00 0.00 C ATOM 0 H ILE A 54 -0.692 0.728 3.907 1.00 0.00 H new ATOM 0 HA ILE A 54 0.685 1.610 1.467 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.304 1.910 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.138 0.253 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.233 -0.443 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.339 2.724 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.308 3.740 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.568 2.566 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.201 -1.031 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.664 -0.013 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.566 0.693 -0.226 1.00 0.00 H new ATOM 822 N SER A 55 0.792 3.935 2.361 1.00 0.00 N ATOM 823 CA SER A 55 0.982 5.250 2.963 1.00 0.00 C ATOM 824 C SER A 55 0.736 6.356 1.941 1.00 0.00 C ATOM 825 O SER A 55 1.343 6.372 0.870 1.00 0.00 O ATOM 826 CB SER A 55 2.395 5.373 3.536 1.00 0.00 C ATOM 827 OG SER A 55 2.524 4.635 4.739 1.00 0.00 O ATOM 0 H SER A 55 1.370 3.760 1.539 1.00 0.00 H new ATOM 0 HA SER A 55 0.260 5.360 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.120 5.013 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.625 6.422 3.723 1.00 0.00 H new ATOM 0 HG SER A 55 2.185 3.726 4.603 1.00 0.00 H new ATOM 833 N ILE A 56 -0.157 7.279 2.282 1.00 0.00 N ATOM 834 CA ILE A 56 -0.482 8.390 1.395 1.00 0.00 C ATOM 835 C ILE A 56 -0.508 9.711 2.155 1.00 0.00 C ATOM 836 O ILE A 56 -1.081 9.805 3.241 1.00 0.00 O ATOM 837 CB ILE A 56 -1.844 8.179 0.706 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.960 6.747 0.182 1.00 0.00 C ATOM 839 CG2 ILE A 56 -2.025 9.181 -0.426 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.547 5.782 1.188 1.00 0.00 C ATOM 0 H ILE A 56 -0.668 7.280 3.165 1.00 0.00 H new ATOM 0 HA ILE A 56 0.299 8.427 0.635 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.634 8.341 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.579 6.746 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.971 6.395 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.992 9.020 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.982 10.194 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.231 9.048 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.600 4.786 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.916 5.754 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.549 6.110 1.465 1.00 0.00 H new ATOM 852 N LYS A 57 0.116 10.732 1.577 1.00 0.00 N ATOM 853 CA LYS A 57 0.163 12.050 2.198 1.00 0.00 C ATOM 854 C LYS A 57 -1.095 12.849 1.874 1.00 0.00 C ATOM 855 O LYS A 57 -1.323 13.229 0.725 1.00 0.00 O ATOM 856 CB LYS A 57 1.402 12.816 1.725 1.00 0.00 C ATOM 857 CG LYS A 57 1.487 14.231 2.268 1.00 0.00 C ATOM 858 CD LYS A 57 1.793 14.240 3.756 1.00 0.00 C ATOM 859 CE LYS A 57 1.909 15.657 4.293 1.00 0.00 C ATOM 860 NZ LYS A 57 1.029 16.604 3.553 1.00 0.00 N ATOM 0 H LYS A 57 0.596 10.672 0.679 1.00 0.00 H new ATOM 0 HA LYS A 57 0.218 11.913 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.295 12.267 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.402 12.853 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.261 14.781 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.545 14.749 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.007 13.710 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.723 13.703 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.646 15.667 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.944 15.990 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.137 17.560 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.297 16.613 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.038 16.301 3.645 1.00 0.00 H new ATOM 874 N PHE A 58 -1.909 13.102 2.894 1.00 0.00 N ATOM 875 CA PHE A 58 -3.144 13.857 2.718 1.00 0.00 C ATOM 876 C PHE A 58 -3.499 14.624 3.988 1.00 0.00 C ATOM 877 O PHE A 58 -3.322 14.123 5.098 1.00 0.00 O ATOM 878 CB PHE A 58 -4.291 12.918 2.339 1.00 0.00 C ATOM 879 CG PHE A 58 -5.642 13.570 2.389 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.006 14.514 1.443 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.549 13.241 3.384 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.249 15.117 1.486 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.793 13.840 3.432 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.144 14.780 2.483 1.00 0.00 C ATOM 0 H PHE A 58 -1.735 12.795 3.851 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.989 14.575 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.119 12.535 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.285 12.061 3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.310 14.782 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.280 12.508 4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.520 15.851 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.491 13.573 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.115 15.250 2.520 1.00 0.00 H new ATOM 894 N ASN A 59 -4.000 15.842 3.816 1.00 0.00 N ATOM 895 CA ASN A 59 -4.379 16.681 4.948 1.00 0.00 C ATOM 896 C ASN A 59 -3.191 16.905 5.880 1.00 0.00 C ATOM 897 O ASN A 59 -3.281 16.670 7.085 1.00 0.00 O ATOM 898 CB ASN A 59 -5.533 16.039 5.721 1.00 0.00 C ATOM 899 CG ASN A 59 -6.888 16.430 5.166 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.996 17.343 4.347 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.931 15.739 5.610 1.00 0.00 N ATOM 0 H ASN A 59 -4.153 16.271 2.903 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.702 17.647 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.429 14.954 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.474 16.334 6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.868 15.957 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.795 14.990 6.289 1.00 0.00 H new ATOM 908 N ASP A 60 -2.080 17.362 5.313 1.00 0.00 N ATOM 909 CA ASP A 60 -0.875 17.621 6.092 1.00 0.00 C ATOM 910 C ASP A 60 -0.631 16.503 7.102 1.00 0.00 C ATOM 911 O ASP A 60 -0.134 16.746 8.201 1.00 0.00 O ATOM 912 CB ASP A 60 -0.988 18.963 6.817 1.00 0.00 C ATOM 913 CG ASP A 60 -1.238 20.116 5.864 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.543 20.191 4.830 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.128 20.944 6.153 1.00 0.00 O ATOM 0 H ASP A 60 -1.989 17.561 4.317 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.029 17.658 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.799 18.913 7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.071 19.149 7.376 1.00 0.00 H new ATOM 920 N GLU A 61 -0.982 15.279 6.719 1.00 0.00 N ATOM 921 CA GLU A 61 -0.801 14.126 7.592 1.00 0.00 C ATOM 922 C GLU A 61 -0.623 12.849 6.776 1.00 0.00 C ATOM 923 O GLU A 61 -1.358 12.601 5.820 1.00 0.00 O ATOM 924 CB GLU A 61 -1.999 13.979 8.533 1.00 0.00 C ATOM 925 CG GLU A 61 -2.045 15.030 9.630 1.00 0.00 C ATOM 926 CD GLU A 61 -3.154 14.781 10.632 1.00 0.00 C ATOM 927 OE1 GLU A 61 -4.338 14.865 10.242 1.00 0.00 O ATOM 928 OE2 GLU A 61 -2.839 14.501 11.808 1.00 0.00 O ATOM 0 H GLU A 61 -1.393 15.061 5.811 1.00 0.00 H new ATOM 0 HA GLU A 61 0.100 14.288 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.918 14.035 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.972 12.990 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.088 15.048 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.181 16.013 9.180 1.00 0.00 H new ATOM 935 N VAL A 62 0.361 12.041 7.160 1.00 0.00 N ATOM 936 CA VAL A 62 0.638 10.789 6.465 1.00 0.00 C ATOM 937 C VAL A 62 -0.163 9.639 7.066 1.00 0.00 C ATOM 938 O VAL A 62 0.165 9.133 8.139 1.00 0.00 O ATOM 939 CB VAL A 62 2.136 10.439 6.517 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.360 8.994 6.099 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.936 11.388 5.635 1.00 0.00 C ATOM 0 H VAL A 62 0.979 12.231 7.949 1.00 0.00 H new ATOM 0 HA VAL A 62 0.342 10.930 5.426 1.00 0.00 H new ATOM 0 HB VAL A 62 2.484 10.554 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.425 8.764 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.818 8.332 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.998 8.849 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.993 11.126 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.589 11.307 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.799 12.411 5.984 1.00 0.00 H new ATOM 951 N LYS A 63 -1.216 9.230 6.366 1.00 0.00 N ATOM 952 CA LYS A 63 -2.064 8.137 6.828 1.00 0.00 C ATOM 953 C LYS A 63 -1.473 6.787 6.436 1.00 0.00 C ATOM 954 O LYS A 63 -1.000 6.606 5.314 1.00 0.00 O ATOM 955 CB LYS A 63 -3.473 8.278 6.246 1.00 0.00 C ATOM 956 CG LYS A 63 -4.415 9.086 7.121 1.00 0.00 C ATOM 957 CD LYS A 63 -3.863 10.474 7.400 1.00 0.00 C ATOM 958 CE LYS A 63 -4.261 11.460 6.312 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.675 11.903 6.454 1.00 0.00 N ATOM 0 H LYS A 63 -1.503 9.639 5.477 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.119 8.187 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.406 8.750 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.895 7.285 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.385 9.171 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.578 8.562 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.230 10.826 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.776 10.427 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.603 12.328 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.122 10.998 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.786 12.850 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.300 11.233 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.929 11.936 7.462 1.00 0.00 H new ATOM 973 N HIS A 64 -1.505 5.839 7.368 1.00 0.00 N ATOM 974 CA HIS A 64 -0.973 4.504 7.119 1.00 0.00 C ATOM 975 C HIS A 64 -2.086 3.461 7.158 1.00 0.00 C ATOM 976 O HIS A 64 -2.868 3.408 8.108 1.00 0.00 O ATOM 977 CB HIS A 64 0.101 4.160 8.152 1.00 0.00 C ATOM 978 CG HIS A 64 1.353 4.967 8.005 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.548 4.432 7.572 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.592 6.280 8.235 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.468 5.380 7.544 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.914 6.510 7.941 1.00 0.00 N ATOM 0 H HIS A 64 -1.894 5.971 8.302 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.526 4.496 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.305 4.314 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.349 3.102 8.068 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.698 3.457 7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.877 7.010 8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.498 5.252 7.247 1.00 0.00 H new ATOM 991 N ILE A 65 -2.152 2.634 6.120 1.00 0.00 N ATOM 992 CA ILE A 65 -3.169 1.593 6.037 1.00 0.00 C ATOM 993 C ILE A 65 -2.540 0.205 6.089 1.00 0.00 C ATOM 994 O ILE A 65 -1.455 -0.018 5.551 1.00 0.00 O ATOM 995 CB ILE A 65 -3.999 1.720 4.746 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.533 3.145 4.594 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.144 0.718 4.753 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.010 3.466 3.196 1.00 0.00 C ATOM 0 H ILE A 65 -1.514 2.665 5.325 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.826 1.724 6.897 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.355 1.502 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.357 3.292 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.749 3.850 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.722 0.819 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.742 -0.293 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.789 0.909 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.375 4.493 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.184 3.352 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.816 2.786 2.921 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.229 -0.726 6.740 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.740 -2.095 6.862 1.00 0.00 C ATOM 1012 C LYS A 66 -3.478 -3.022 5.900 1.00 0.00 C ATOM 1013 O LYS A 66 -4.618 -3.412 6.149 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.911 -2.594 8.298 1.00 0.00 C ATOM 1015 CG LYS A 66 -2.670 -1.521 9.347 1.00 0.00 C ATOM 1016 CD LYS A 66 -3.212 -1.936 10.703 1.00 0.00 C ATOM 1017 CE LYS A 66 -4.695 -2.268 10.635 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.928 -3.710 10.343 1.00 0.00 N ATOM 0 H LYS A 66 -4.128 -0.558 7.191 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.680 -2.101 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.920 -2.989 8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.222 -3.421 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.601 -1.322 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.145 -0.591 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.661 -2.803 11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.051 -1.132 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.169 -2.008 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.168 -1.660 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.421 -3.804 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.015 -4.206 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.510 -4.127 11.097 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.816 -3.374 4.801 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.408 -4.258 3.804 1.00 0.00 C ATOM 1034 C VAL A 67 -3.516 -5.685 4.329 1.00 0.00 C ATOM 1035 O VAL A 67 -2.547 -6.442 4.305 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.586 -4.263 2.501 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.041 -5.391 1.588 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.696 -2.919 1.797 1.00 0.00 C ATOM 0 H VAL A 67 -1.871 -3.061 4.580 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.407 -3.875 3.594 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.539 -4.431 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.449 -5.379 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.906 -6.346 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.094 -5.257 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.109 -2.940 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.740 -2.719 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.318 -2.134 2.451 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.704 -6.046 4.805 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.941 -7.384 5.335 1.00 0.00 C ATOM 1050 C VAL A 68 -5.072 -8.405 4.211 1.00 0.00 C ATOM 1051 O VAL A 68 -5.720 -8.148 3.198 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.213 -7.425 6.202 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.545 -8.858 6.593 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.045 -6.554 7.437 1.00 0.00 C ATOM 0 H VAL A 68 -5.517 -5.431 4.834 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.080 -7.638 5.953 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.043 -7.030 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.447 -8.868 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.710 -9.452 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.716 -9.282 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.954 -6.595 8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.203 -6.917 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.857 -5.524 7.133 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.451 -9.566 4.399 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.498 -10.627 3.399 1.00 0.00 C ATOM 1066 C GLU A 69 -4.962 -11.940 4.023 1.00 0.00 C ATOM 1067 O GLU A 69 -4.198 -12.621 4.708 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.122 -10.813 2.756 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.183 -11.319 1.324 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.915 -12.034 0.904 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.828 -11.428 1.015 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -2.007 -13.199 0.464 1.00 0.00 O ATOM 0 H GLU A 69 -3.910 -9.795 5.233 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.214 -10.337 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.590 -9.862 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.542 -11.514 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.030 -11.997 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.361 -10.479 0.653 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.220 -12.291 3.780 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.789 -13.524 4.315 1.00 0.00 C ATOM 1081 C LYS A 70 -7.439 -14.348 3.208 1.00 0.00 C ATOM 1082 O LYS A 70 -7.935 -13.802 2.224 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.819 -13.204 5.400 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.363 -14.435 6.103 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.736 -14.177 6.700 1.00 0.00 C ATOM 1086 CE LYS A 70 -9.658 -13.227 7.886 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.127 -13.902 9.103 1.00 0.00 N ATOM 0 H LYS A 70 -6.866 -11.739 3.216 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.980 -14.110 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.363 -12.545 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.648 -12.655 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.423 -15.262 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.674 -14.739 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.392 -13.756 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.179 -15.121 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.020 -12.381 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.650 -12.826 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.153 -13.241 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.711 -14.734 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.146 -14.202 8.933 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.433 -15.665 3.379 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.024 -16.566 2.395 1.00 0.00 C ATOM 1103 C ASP A 71 -7.394 -16.360 1.022 1.00 0.00 C ATOM 1104 O ASP A 71 -8.063 -16.478 -0.003 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.536 -16.345 2.315 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.251 -17.486 1.617 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.430 -18.548 2.248 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.631 -17.315 0.440 1.00 0.00 O ATOM 0 H ASP A 71 -7.026 -16.133 4.189 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.830 -17.590 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.937 -16.230 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.737 -15.415 1.784 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.102 -16.051 1.010 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.381 -15.827 -0.238 1.00 0.00 C ATOM 1115 C ASN A 72 -5.982 -14.657 -1.011 1.00 0.00 C ATOM 1116 O ASN A 72 -5.979 -14.646 -2.242 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.408 -17.089 -1.101 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.639 -18.236 -0.473 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -3.801 -18.028 0.405 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -4.920 -19.453 -0.921 1.00 0.00 N ATOM 0 H ASN A 72 -5.532 -15.950 1.850 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.347 -15.585 0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.442 -17.394 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.985 -16.865 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.434 -20.263 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.622 -19.579 -1.650 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.495 -13.673 -0.280 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.099 -12.498 -0.897 1.00 0.00 C ATOM 1129 C TRP A 73 -6.674 -11.225 -0.175 1.00 0.00 C ATOM 1130 O TRP A 73 -6.380 -11.247 1.021 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.624 -12.619 -0.889 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.123 -13.883 -1.520 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -9.972 -14.797 -0.963 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -8.802 -14.374 -2.826 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.197 -15.827 -1.845 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -9.492 -15.590 -2.996 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.001 -13.904 -3.870 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -9.403 -16.339 -4.165 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -7.913 -14.648 -5.031 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -8.612 -15.855 -5.171 1.00 0.00 C ATOM 0 H TRP A 73 -6.505 -13.666 0.740 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.752 -12.441 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.980 -12.570 0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.052 -11.765 -1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.403 -14.721 0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.792 -16.637 -1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.460 -12.975 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -9.940 -17.270 -4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -7.296 -14.294 -5.844 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -8.524 -16.414 -6.091 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.643 -10.116 -0.907 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.255 -8.833 -0.334 1.00 0.00 C ATOM 1153 C ILE A 74 -7.479 -8.014 0.060 1.00 0.00 C ATOM 1154 O ILE A 74 -8.487 -8.005 -0.647 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.396 -8.014 -1.316 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.922 -8.395 -1.178 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.590 -6.525 -1.073 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.502 -9.530 -2.086 1.00 0.00 C ATOM 0 H ILE A 74 -6.882 -10.080 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.665 -9.051 0.556 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.716 -8.241 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.308 -7.521 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.723 -8.676 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.977 -5.959 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.639 -6.266 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.293 -6.281 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.444 -9.746 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.090 -10.418 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.668 -9.245 -3.125 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.384 -7.325 1.193 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.483 -6.499 1.680 1.00 0.00 C ATOM 1172 C HIS A 75 -8.029 -5.619 2.841 1.00 0.00 C ATOM 1173 O HIS A 75 -6.970 -5.846 3.426 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.654 -7.379 2.120 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.312 -8.316 3.237 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.956 -8.301 4.456 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -8.389 -9.303 3.313 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.442 -9.236 5.235 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -8.490 -9.858 4.565 1.00 0.00 N ATOM 0 H HIS A 75 -6.557 -7.322 1.791 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.809 -5.854 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.480 -6.741 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.004 -7.958 1.265 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -10.711 -7.667 4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.701 -9.599 2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.748 -9.454 6.247 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.836 -4.615 3.167 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.517 -3.702 4.257 1.00 0.00 C ATOM 1190 C ILE A 76 -9.759 -3.368 5.076 1.00 0.00 C ATOM 1191 O ILE A 76 -10.864 -3.272 4.540 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.894 -2.395 3.732 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.843 -1.713 2.744 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.549 -2.673 3.078 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.397 -0.326 2.337 1.00 0.00 C ATOM 0 H ILE A 76 -9.716 -4.413 2.692 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.792 -4.210 4.893 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.733 -1.723 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.933 -2.333 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.835 -1.650 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.122 -1.739 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.874 -3.119 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.685 -3.361 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.117 0.097 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.334 0.310 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.418 -0.384 1.861 1.00 0.00 H new ATOM 1207 N THR A 77 -9.571 -3.187 6.380 1.00 0.00 N ATOM 1208 CA THR A 77 -10.675 -2.863 7.273 1.00 0.00 C ATOM 1209 C THR A 77 -11.906 -3.704 6.954 1.00 0.00 C ATOM 1210 O THR A 77 -13.034 -3.302 7.239 1.00 0.00 O ATOM 1211 CB THR A 77 -11.050 -1.371 7.184 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.959 -1.031 8.238 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.682 -1.051 5.839 1.00 0.00 C ATOM 0 H THR A 77 -8.664 -3.260 6.840 1.00 0.00 H new ATOM 0 HA THR A 77 -10.338 -3.086 8.285 1.00 0.00 H new ATOM 0 HB THR A 77 -10.138 -0.783 7.287 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.648 -1.724 8.312 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.938 0.008 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.977 -1.283 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.585 -1.648 5.710 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.682 -4.873 6.363 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.774 -5.771 6.007 1.00 0.00 C ATOM 1223 C GLU A 78 -13.957 -4.989 5.443 1.00 0.00 C ATOM 1224 O GLU A 78 -15.100 -5.191 5.853 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.218 -6.580 7.227 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.188 -7.595 7.691 1.00 0.00 C ATOM 1227 CD GLU A 78 -10.878 -6.952 8.104 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -10.857 -6.262 9.144 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -9.874 -7.138 7.385 1.00 0.00 O ATOM 0 H GLU A 78 -10.754 -5.220 6.121 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.413 -6.456 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.436 -5.895 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.146 -7.099 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.592 -8.159 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.001 -8.309 6.889 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.674 -4.097 4.500 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.714 -3.287 3.878 1.00 0.00 C ATOM 1238 C ALA A 79 -14.850 -3.612 2.395 1.00 0.00 C ATOM 1239 O ALA A 79 -15.953 -3.833 1.895 1.00 0.00 O ATOM 1240 CB ALA A 79 -14.416 -1.807 4.071 1.00 0.00 C ATOM 0 H ALA A 79 -12.733 -3.917 4.150 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.662 -3.522 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -15.201 -1.214 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.377 -1.580 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.456 -1.566 3.614 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.722 -3.640 1.693 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.714 -3.938 0.267 1.00 0.00 C ATOM 1248 C LYS A 80 -12.472 -4.738 -0.115 1.00 0.00 C ATOM 1249 O LYS A 80 -11.363 -4.206 -0.141 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.770 -2.644 -0.548 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.607 -2.857 -2.043 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.921 -3.246 -2.696 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.749 -3.499 -4.186 1.00 0.00 C ATOM 1254 NZ LYS A 80 -15.728 -4.499 -4.696 1.00 0.00 N ATOM 0 H LYS A 80 -12.800 -3.459 2.090 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.596 -4.539 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.723 -2.149 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.987 -1.971 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.227 -1.944 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.866 -3.636 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.316 -4.142 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.654 -2.454 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.870 -2.562 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.736 -3.851 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.578 -4.643 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.596 -5.401 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.695 -4.152 -4.534 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.667 -6.018 -0.412 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.564 -6.892 -0.795 1.00 0.00 C ATOM 1270 C LYS A 81 -11.338 -6.854 -2.303 1.00 0.00 C ATOM 1271 O LYS A 81 -12.231 -6.483 -3.065 1.00 0.00 O ATOM 1272 CB LYS A 81 -11.844 -8.328 -0.347 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.101 -8.922 -0.961 1.00 0.00 C ATOM 1274 CD LYS A 81 -13.044 -10.441 -0.986 1.00 0.00 C ATOM 1275 CE LYS A 81 -13.500 -11.038 0.337 1.00 0.00 C ATOM 1276 NZ LYS A 81 -14.979 -11.206 0.388 1.00 0.00 N ATOM 0 H LYS A 81 -13.579 -6.474 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.661 -6.533 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.991 -8.954 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.935 -8.350 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.973 -8.599 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.225 -8.545 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.674 -10.817 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.025 -10.764 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.019 -12.005 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.179 -10.394 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.250 -11.615 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.438 -10.280 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.283 -11.840 -0.378 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.140 -7.240 -2.728 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.798 -7.250 -4.145 1.00 0.00 C ATOM 1292 C PHE A 82 -9.054 -8.530 -4.516 1.00 0.00 C ATOM 1293 O PHE A 82 -8.490 -9.205 -3.654 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.941 -6.031 -4.493 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.726 -4.753 -4.577 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.636 -4.549 -5.603 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.553 -3.755 -3.631 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.357 -3.373 -5.682 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.273 -2.577 -3.706 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.177 -2.386 -4.732 1.00 0.00 C ATOM 0 H PHE A 82 -9.389 -7.550 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.725 -7.210 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.159 -5.920 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.444 -6.206 -5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.783 -5.317 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.848 -3.899 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.062 -3.225 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.128 -1.807 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.742 -1.467 -4.792 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.059 -8.858 -5.804 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.385 -10.056 -6.289 1.00 0.00 C ATOM 1312 C ASP A 83 -6.923 -10.074 -5.851 1.00 0.00 C ATOM 1313 O ASP A 83 -6.373 -11.128 -5.535 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.474 -10.134 -7.814 1.00 0.00 C ATOM 1315 CG ASP A 83 -8.305 -8.779 -8.474 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -9.139 -7.887 -8.216 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -7.339 -8.612 -9.248 1.00 0.00 O ATOM 0 H ASP A 83 -9.522 -8.311 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.885 -10.923 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.707 -10.814 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.438 -10.555 -8.098 1.00 0.00 H new ATOM 1322 N SER A 84 -6.301 -8.899 -5.836 1.00 0.00 N ATOM 1323 CA SER A 84 -4.903 -8.780 -5.441 1.00 0.00 C ATOM 1324 C SER A 84 -4.586 -7.360 -4.984 1.00 0.00 C ATOM 1325 O SER A 84 -5.422 -6.461 -5.087 1.00 0.00 O ATOM 1326 CB SER A 84 -3.988 -9.170 -6.604 1.00 0.00 C ATOM 1327 OG SER A 84 -3.699 -10.556 -6.582 1.00 0.00 O ATOM 0 H SER A 84 -6.743 -8.017 -6.093 1.00 0.00 H new ATOM 0 HA SER A 84 -4.728 -9.459 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.465 -8.910 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.060 -8.601 -6.548 1.00 0.00 H new ATOM 0 HG SER A 84 -4.472 -11.046 -6.230 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.374 -7.164 -4.478 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.945 -5.853 -4.004 1.00 0.00 C ATOM 1335 C LEU A 85 -2.902 -4.847 -5.149 1.00 0.00 C ATOM 1336 O LEU A 85 -3.240 -3.675 -4.974 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.568 -5.952 -3.346 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.884 -4.624 -3.018 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.616 -3.910 -1.894 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.575 -4.854 -2.645 1.00 0.00 C ATOM 0 H LEU A 85 -2.670 -7.897 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.669 -5.506 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.669 -6.524 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.913 -6.522 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.917 -3.991 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.115 -2.967 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.644 -3.712 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.615 -4.538 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.047 -3.899 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.629 -5.505 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.095 -5.323 -3.481 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.489 -5.312 -6.323 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.405 -4.453 -7.499 1.00 0.00 C ATOM 1354 C LEU A 86 -3.736 -3.756 -7.762 1.00 0.00 C ATOM 1355 O LEU A 86 -3.796 -2.531 -7.861 1.00 0.00 O ATOM 1356 CB LEU A 86 -1.995 -5.272 -8.725 1.00 0.00 C ATOM 1357 CG LEU A 86 -1.932 -4.512 -10.050 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.093 -3.252 -9.902 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.371 -5.402 -11.150 1.00 0.00 C ATOM 0 H LEU A 86 -2.207 -6.279 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.649 -3.691 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.015 -5.710 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.697 -6.098 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.945 -4.220 -10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.059 -2.724 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.537 -2.606 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.081 -3.522 -9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.334 -4.844 -12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.366 -5.725 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.012 -6.275 -11.274 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.801 -4.546 -7.870 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.131 -4.003 -8.118 1.00 0.00 C ATOM 1373 C GLU A 87 -6.525 -3.008 -7.029 1.00 0.00 C ATOM 1374 O GLU A 87 -6.943 -1.886 -7.319 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.161 -5.132 -8.190 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.369 -5.676 -9.593 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.004 -4.662 -10.524 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.849 -3.872 -10.053 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -7.656 -4.657 -11.724 1.00 0.00 O ATOM 0 H GLU A 87 -4.768 -5.562 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.109 -3.479 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.843 -5.945 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.114 -4.769 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.409 -5.989 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.999 -6.564 -9.545 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.390 -3.428 -5.776 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.732 -2.575 -4.643 1.00 0.00 C ATOM 1388 C LEU A 88 -6.159 -1.173 -4.823 1.00 0.00 C ATOM 1389 O LEU A 88 -6.757 -0.187 -4.393 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.209 -3.189 -3.343 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.377 -2.337 -2.084 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.509 -3.221 -0.854 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.206 -1.377 -1.929 1.00 0.00 C ATOM 0 H LEU A 88 -6.046 -4.353 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.818 -2.499 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.716 -4.141 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.149 -3.410 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.291 -1.751 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.628 -2.597 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.380 -3.867 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.614 -3.834 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.343 -0.779 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.278 -1.944 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.157 -0.719 -2.797 1.00 0.00 H new ATOM 1405 N VAL A 89 -4.998 -1.093 -5.465 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.345 0.189 -5.706 1.00 0.00 C ATOM 1407 C VAL A 89 -4.972 0.909 -6.895 1.00 0.00 C ATOM 1408 O VAL A 89 -5.318 2.087 -6.805 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.837 0.011 -5.965 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.177 1.358 -6.224 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.176 -0.699 -4.792 1.00 0.00 C ATOM 0 H VAL A 89 -4.490 -1.900 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.483 0.789 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.708 -0.607 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.112 1.213 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.633 1.825 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.313 2.003 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.111 -0.817 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.313 -0.109 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.631 -1.681 -4.658 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.115 0.193 -8.005 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.700 0.766 -9.212 1.00 0.00 C ATOM 1423 C GLU A 90 -7.113 1.277 -8.941 1.00 0.00 C ATOM 1424 O GLU A 90 -7.604 2.170 -9.633 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.728 -0.273 -10.334 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.348 -0.687 -10.815 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.383 -1.375 -12.166 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.855 -0.749 -13.138 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.939 -2.540 -12.251 1.00 0.00 O ATOM 0 H GLU A 90 -4.834 -0.784 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.081 1.608 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.262 -1.157 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.291 0.129 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.709 0.194 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.898 -1.356 -10.082 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.760 0.704 -7.933 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.116 1.100 -7.572 1.00 0.00 C ATOM 1438 C TYR A 91 -9.130 2.490 -6.945 1.00 0.00 C ATOM 1439 O TYR A 91 -9.900 3.361 -7.354 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.725 0.084 -6.604 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.189 0.325 -6.316 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.169 -0.061 -7.223 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.594 0.941 -5.137 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.509 0.157 -6.964 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.931 1.161 -4.869 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.884 0.769 -5.786 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.217 0.989 -5.523 1.00 0.00 O ATOM 0 H TYR A 91 -7.368 -0.036 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.714 1.128 -8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.605 -0.917 -7.018 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.170 0.110 -5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.878 -0.540 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.850 1.253 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.258 -0.150 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.229 1.637 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.313 1.399 -4.638 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.274 2.691 -5.949 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.188 3.974 -5.263 1.00 0.00 C ATOM 1459 C TYR A 92 -7.493 5.014 -6.137 1.00 0.00 C ATOM 1460 O TYR A 92 -7.654 6.217 -5.934 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.436 3.819 -3.939 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.242 3.126 -2.864 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.507 3.582 -2.514 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.738 2.016 -2.197 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.246 2.953 -1.532 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.470 1.380 -1.213 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.724 1.852 -0.884 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.458 1.222 0.095 1.00 0.00 O ATOM 0 H TYR A 92 -7.630 1.982 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.202 4.317 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.520 3.255 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.140 4.805 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.919 4.443 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.757 1.644 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.228 3.321 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.063 0.519 -0.704 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.480 0.258 -0.082 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.720 4.540 -7.109 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.000 5.427 -8.014 1.00 0.00 C ATOM 1480 C GLN A 93 -6.956 6.392 -8.706 1.00 0.00 C ATOM 1481 O GLN A 93 -6.552 7.463 -9.161 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.234 4.613 -9.057 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.823 4.242 -8.625 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.012 3.626 -9.748 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.442 3.606 -10.901 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.830 3.121 -9.416 1.00 0.00 N ATOM 0 H GLN A 93 -6.577 3.546 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.291 6.008 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.790 3.701 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.183 5.183 -9.985 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.313 5.133 -8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.875 3.541 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.513 3.159 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.239 2.695 -10.130 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.225 6.007 -8.781 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.240 6.838 -9.419 1.00 0.00 C ATOM 1497 C CYS A 94 -10.382 7.138 -8.454 1.00 0.00 C ATOM 1498 O CYS A 94 -11.079 8.144 -8.594 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.782 6.145 -10.670 1.00 0.00 C ATOM 1500 SG CYS A 94 -10.428 7.281 -11.920 1.00 0.00 S ATOM 0 H CYS A 94 -8.576 5.125 -8.408 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.775 7.781 -9.707 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.987 5.546 -11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.574 5.456 -10.377 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.861 6.602 -12.941 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.570 6.259 -7.475 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.629 6.429 -6.487 1.00 0.00 C ATOM 1508 C HIS A 95 -11.052 6.859 -5.141 1.00 0.00 C ATOM 1509 O HIS A 95 -10.076 6.283 -4.661 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.419 5.130 -6.324 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.462 4.297 -7.569 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.352 2.922 -7.557 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.607 4.651 -8.866 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.425 2.467 -8.795 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.580 3.495 -9.609 1.00 0.00 N ATOM 0 H HIS A 95 -10.003 5.422 -7.345 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.300 7.211 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.977 4.543 -5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.438 5.369 -6.021 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.233 2.347 -6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.722 5.655 -9.247 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.368 1.430 -9.091 1.00 0.00 H new ATOM 1524 N SER A 96 -11.662 7.876 -4.539 1.00 0.00 N ATOM 1525 CA SER A 96 -11.205 8.386 -3.251 1.00 0.00 C ATOM 1526 C SER A 96 -11.117 7.262 -2.222 1.00 0.00 C ATOM 1527 O SER A 96 -11.779 6.231 -2.353 1.00 0.00 O ATOM 1528 CB SER A 96 -12.150 9.479 -2.749 1.00 0.00 C ATOM 1529 OG SER A 96 -11.707 10.007 -1.511 1.00 0.00 O ATOM 0 H SER A 96 -12.473 8.362 -4.922 1.00 0.00 H new ATOM 0 HA SER A 96 -10.210 8.809 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.212 10.278 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.155 9.072 -2.636 1.00 0.00 H new ATOM 0 HG SER A 96 -12.321 10.713 -1.218 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.295 7.469 -1.199 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.119 6.475 -0.147 1.00 0.00 C ATOM 1537 C LEU A 97 -11.147 6.668 0.963 1.00 0.00 C ATOM 1538 O LEU A 97 -11.125 5.967 1.975 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.705 6.561 0.431 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.645 5.703 -0.259 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.259 6.291 -0.045 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.702 4.271 0.252 1.00 0.00 C ATOM 0 H LEU A 97 -9.740 8.316 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.267 5.488 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.382 7.601 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.746 6.277 1.482 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.853 5.695 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.518 5.666 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.223 7.298 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.041 6.330 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.940 3.675 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.520 4.261 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.686 3.850 0.046 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.049 7.624 0.766 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.089 7.908 1.748 1.00 0.00 C ATOM 1556 C LYS A 98 -13.949 6.675 2.003 1.00 0.00 C ATOM 1557 O LYS A 98 -14.329 6.397 3.140 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.967 9.066 1.269 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.109 8.630 0.367 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.950 9.815 -0.080 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.923 9.423 -1.181 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.959 8.471 -0.694 1.00 0.00 N ATOM 0 H LYS A 98 -12.081 8.215 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.604 8.189 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.377 9.583 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.346 9.785 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.708 8.117 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.739 7.914 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.503 10.212 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.297 10.612 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.407 10.317 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.374 8.971 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.602 8.229 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.499 7.607 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.501 8.912 0.077 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.251 5.938 0.937 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.066 4.734 1.048 1.00 0.00 C ATOM 1578 C GLU A 99 -14.762 3.989 2.345 1.00 0.00 C ATOM 1579 O GLU A 99 -15.672 3.592 3.072 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.821 3.815 -0.151 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.339 4.376 -1.463 1.00 0.00 C ATOM 1582 CD GLU A 99 -15.752 3.291 -2.440 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -15.002 2.301 -2.578 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -16.824 3.432 -3.064 1.00 0.00 O ATOM 0 H GLU A 99 -13.944 6.154 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.114 5.034 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.751 3.629 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.297 2.853 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.192 5.025 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.567 4.995 -1.919 1.00 0.00 H new ATOM 1591 N SER A 100 -13.477 3.803 2.627 1.00 0.00 N ATOM 1592 CA SER A 100 -13.053 3.103 3.834 1.00 0.00 C ATOM 1593 C SER A 100 -12.681 4.092 4.934 1.00 0.00 C ATOM 1594 O SER A 100 -13.087 3.937 6.086 1.00 0.00 O ATOM 1595 CB SER A 100 -11.862 2.192 3.527 1.00 0.00 C ATOM 1596 OG SER A 100 -11.350 1.606 4.712 1.00 0.00 O ATOM 0 H SER A 100 -12.711 4.127 2.036 1.00 0.00 H new ATOM 0 HA SER A 100 -13.887 2.495 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.168 1.409 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.078 2.767 3.033 1.00 0.00 H new ATOM 0 HG SER A 100 -10.591 1.028 4.489 1.00 0.00 H new ATOM 1602 N PHE A 101 -11.907 5.108 4.572 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.478 6.123 5.527 1.00 0.00 C ATOM 1604 C PHE A 101 -12.079 7.482 5.182 1.00 0.00 C ATOM 1605 O PHE A 101 -11.440 8.309 4.531 1.00 0.00 O ATOM 1606 CB PHE A 101 -9.952 6.218 5.552 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.279 4.945 5.979 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.337 4.523 7.296 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -8.587 4.171 5.060 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.718 3.352 7.691 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -7.966 2.999 5.450 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.032 2.589 6.767 1.00 0.00 C ATOM 0 H PHE A 101 -11.563 5.251 3.622 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.832 5.829 6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.597 6.492 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.657 7.020 6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.872 5.116 8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.533 4.487 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.771 3.034 8.722 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.430 2.405 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.548 1.673 7.074 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.313 7.707 5.622 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.001 8.966 5.362 1.00 0.00 C ATOM 1624 C LYS A 102 -13.071 10.153 5.595 1.00 0.00 C ATOM 1625 O LYS A 102 -12.810 10.934 4.681 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.236 9.089 6.258 1.00 0.00 C ATOM 1627 CG LYS A 102 -14.954 8.815 7.724 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.201 8.340 8.452 1.00 0.00 C ATOM 1629 CE LYS A 102 -15.992 8.315 9.958 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.012 7.477 10.647 1.00 0.00 N ATOM 0 H LYS A 102 -13.857 7.033 6.161 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.314 8.972 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -15.649 10.093 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.999 8.394 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.172 8.061 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.577 9.721 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.037 8.997 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.469 7.342 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.996 7.931 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.035 9.332 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.834 7.486 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.961 7.858 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.954 6.500 10.295 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.576 10.279 6.821 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.675 11.371 7.171 1.00 0.00 C ATOM 1646 C GLN A 103 -10.557 11.505 6.144 1.00 0.00 C ATOM 1647 O GLN A 103 -10.070 12.606 5.881 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.081 11.144 8.563 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.120 11.135 9.674 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.537 11.520 11.020 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.364 11.266 11.297 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -12.355 12.136 11.865 1.00 0.00 N ATOM 0 H GLN A 103 -12.783 9.640 7.588 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.251 12.296 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.545 10.195 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.349 11.925 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.925 11.825 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.563 10.141 9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.320 12.326 11.594 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.019 12.419 12.786 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.153 10.378 5.567 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.091 10.370 4.567 1.00 0.00 C ATOM 1663 C LEU A 104 -9.669 10.415 3.157 1.00 0.00 C ATOM 1664 O LEU A 104 -9.947 9.378 2.555 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.218 9.124 4.733 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.309 8.780 3.552 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -5.955 9.455 3.706 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -7.143 7.272 3.429 1.00 0.00 C ATOM 0 H LEU A 104 -10.544 9.459 5.774 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.478 11.259 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.596 9.256 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.869 8.271 4.925 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.775 9.151 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.322 9.199 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.090 10.536 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.482 9.115 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.493 7.045 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.699 6.879 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.118 6.810 3.272 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.847 11.624 2.635 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.389 11.806 1.293 1.00 0.00 C ATOM 1682 C ASP A 105 -9.292 12.206 0.313 1.00 0.00 C ATOM 1683 O ASP A 105 -8.926 13.379 0.218 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.491 12.866 1.305 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.181 12.999 -0.039 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -11.707 13.798 -0.872 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.197 12.304 -0.256 1.00 0.00 O ATOM 0 H ASP A 105 -9.624 12.493 3.121 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.813 10.856 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.229 12.610 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.063 13.828 1.587 1.00 0.00 H new ATOM 1692 N THR A 106 -8.769 11.225 -0.416 1.00 0.00 N ATOM 1693 CA THR A 106 -7.711 11.474 -1.387 1.00 0.00 C ATOM 1694 C THR A 106 -7.504 10.268 -2.296 1.00 0.00 C ATOM 1695 O THR A 106 -7.787 9.132 -1.913 1.00 0.00 O ATOM 1696 CB THR A 106 -6.379 11.815 -0.693 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.485 12.433 -1.625 1.00 0.00 O ATOM 1698 CG2 THR A 106 -5.733 10.562 -0.119 1.00 0.00 C ATOM 0 H THR A 106 -9.061 10.250 -0.352 1.00 0.00 H new ATOM 0 HA THR A 106 -8.028 12.327 -1.987 1.00 0.00 H new ATOM 0 HB THR A 106 -6.586 12.506 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.641 12.648 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.794 10.827 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.404 10.109 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.539 9.852 -0.923 1.00 0.00 H new ATOM 1706 N THR A 107 -7.009 10.520 -3.503 1.00 0.00 N ATOM 1707 CA THR A 107 -6.764 9.455 -4.468 1.00 0.00 C ATOM 1708 C THR A 107 -5.296 9.410 -4.876 1.00 0.00 C ATOM 1709 O THR A 107 -4.655 10.449 -5.040 1.00 0.00 O ATOM 1710 CB THR A 107 -7.631 9.628 -5.728 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.282 10.842 -6.401 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.110 9.649 -5.369 1.00 0.00 C ATOM 0 H THR A 107 -6.769 11.454 -3.836 1.00 0.00 H new ATOM 0 HA THR A 107 -7.031 8.518 -3.979 1.00 0.00 H new ATOM 0 HB THR A 107 -7.445 8.781 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.837 10.943 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.703 9.772 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.380 8.711 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.308 10.479 -4.690 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.769 8.202 -5.042 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.376 8.022 -5.433 1.00 0.00 C ATOM 1722 C LEU A 108 -3.057 8.819 -6.694 1.00 0.00 C ATOM 1723 O LEU A 108 -3.365 8.390 -7.807 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.078 6.539 -5.664 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.707 5.565 -4.667 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.172 4.159 -4.885 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.448 6.022 -3.238 1.00 0.00 C ATOM 0 H LEU A 108 -5.286 7.332 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.746 8.391 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.417 6.272 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.997 6.399 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.784 5.551 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.631 3.480 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.410 3.832 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.091 4.156 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.903 5.317 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.374 6.066 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.882 7.011 -3.088 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.436 9.979 -6.514 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.071 10.835 -7.636 1.00 0.00 C ATOM 1741 C LYS A 109 -0.656 10.528 -8.118 1.00 0.00 C ATOM 1742 O LYS A 109 -0.467 9.946 -9.186 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.176 12.309 -7.236 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.546 12.913 -7.496 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.806 14.110 -6.598 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.418 13.688 -5.270 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.255 14.738 -4.226 1.00 0.00 N ATOM 0 H LYS A 109 -2.174 10.349 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.765 10.636 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.940 12.407 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.426 12.880 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.618 13.218 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.315 12.158 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.871 14.640 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.475 14.807 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.478 13.476 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.950 12.764 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.879 14.308 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.595 15.466 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.178 15.174 -4.025 1.00 0.00 H new ATOM 1761 N TYR A 110 0.332 10.921 -7.323 1.00 0.00 N ATOM 1762 CA TYR A 110 1.730 10.688 -7.669 1.00 0.00 C ATOM 1763 C TYR A 110 2.370 9.692 -6.707 1.00 0.00 C ATOM 1764 O TYR A 110 2.004 9.596 -5.536 1.00 0.00 O ATOM 1765 CB TYR A 110 2.508 12.004 -7.649 1.00 0.00 C ATOM 1766 CG TYR A 110 1.745 13.168 -8.244 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.782 13.423 -9.609 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.987 14.010 -7.440 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.087 14.485 -10.156 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.288 15.073 -7.978 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.342 15.307 -9.337 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.352 16.365 -9.878 1.00 0.00 O ATOM 0 H TYR A 110 0.192 11.402 -6.435 1.00 0.00 H new ATOM 0 HA TYR A 110 1.764 10.268 -8.674 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.774 12.243 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.441 11.873 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.364 12.781 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.943 13.830 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.127 14.670 -11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.297 15.717 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.826 16.843 -9.166 1.00 0.00 H new ATOM 1782 N PRO A 111 3.351 8.930 -7.213 1.00 0.00 N ATOM 1783 CA PRO A 111 4.065 7.927 -6.419 1.00 0.00 C ATOM 1784 C PRO A 111 4.967 8.559 -5.363 1.00 0.00 C ATOM 1785 O PRO A 111 4.860 9.752 -5.074 1.00 0.00 O ATOM 1786 CB PRO A 111 4.903 7.180 -7.458 1.00 0.00 C ATOM 1787 CG PRO A 111 5.091 8.157 -8.567 1.00 0.00 C ATOM 1788 CD PRO A 111 3.839 8.989 -8.601 1.00 0.00 C ATOM 0 HA PRO A 111 3.381 7.286 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.860 6.864 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.394 6.281 -7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.969 8.780 -8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.245 7.645 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.046 10.013 -8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.108 8.586 -9.301 1.00 0.00 H new ATOM 1796 N TYR A 112 5.854 7.753 -4.791 1.00 0.00 N ATOM 1797 CA TYR A 112 6.774 8.234 -3.765 1.00 0.00 C ATOM 1798 C TYR A 112 8.170 8.445 -4.342 1.00 0.00 C ATOM 1799 O TYR A 112 8.400 8.239 -5.534 1.00 0.00 O ATOM 1800 CB TYR A 112 6.834 7.244 -2.601 1.00 0.00 C ATOM 1801 CG TYR A 112 7.903 6.186 -2.760 1.00 0.00 C ATOM 1802 CD1 TYR A 112 7.892 5.318 -3.846 1.00 0.00 C ATOM 1803 CD2 TYR A 112 8.922 6.054 -1.826 1.00 0.00 C ATOM 1804 CE1 TYR A 112 8.865 4.350 -3.996 1.00 0.00 C ATOM 1805 CE2 TYR A 112 9.901 5.089 -1.968 1.00 0.00 C ATOM 1806 CZ TYR A 112 9.868 4.239 -3.055 1.00 0.00 C ATOM 1807 OH TYR A 112 10.840 3.276 -3.199 1.00 0.00 O ATOM 0 H TYR A 112 5.956 6.764 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 112 6.404 9.192 -3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.013 7.793 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.864 6.756 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.109 5.402 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.950 6.717 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.841 3.683 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.687 5.000 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 112 10.419 2.414 -3.397 1.00 0.00 H new ATOM 1817 N SER A 113 9.100 8.856 -3.487 1.00 0.00 N ATOM 1818 CA SER A 113 10.475 9.098 -3.909 1.00 0.00 C ATOM 1819 C SER A 113 11.242 7.786 -4.041 1.00 0.00 C ATOM 1820 O SER A 113 11.771 7.262 -3.063 1.00 0.00 O ATOM 1821 CB SER A 113 11.183 10.018 -2.912 1.00 0.00 C ATOM 1822 OG SER A 113 11.001 11.380 -3.257 1.00 0.00 O ATOM 0 H SER A 113 8.927 9.029 -2.497 1.00 0.00 H new ATOM 0 HA SER A 113 10.449 9.583 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.796 9.839 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.247 9.784 -2.889 1.00 0.00 H new ATOM 0 HG SER A 113 10.233 11.742 -2.768 1.00 0.00 H new