USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 1.53 K(o=1.1,f=-9.8!) USER MOD Set 1.2: A 58 THR OG1 : rot -140:sc= -0.406 USER MOD Set 2.1: A 27 ASN : amide:sc= 0.124 X(o=0.14,f=0) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -159:sc= 0.0135 (180deg=0) USER MOD Set 3.1: A 10 THR OG1 : rot 150:sc= -0.072 USER MOD Set 3.2: A 11 THR OG1 : rot 59:sc= 0.603 USER MOD Set 3.3: A 14 CYS SG : rot -29:sc= 1.31 USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 0.949 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -150:sc= 1.11 (180deg=-0.0787) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -80:sc= 0.777 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.213 (180deg=0.191) USER MOD Single : A 22 THR OG1 : rot -29:sc= 1.67 USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.406 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0.065) USER MOD Single : A 39 ASN : amide:sc= 0.194 K(o=0.19,f=-0.46) USER MOD Single : A 48 SER OG : rot 86:sc= 1.2 USER MOD Single : A 53 ASN : amide:sc= 0.00805 X(o=0.0081,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 85:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 68 THR OG1 : rot -85:sc= 0.301 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.85 (180deg=0.846) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 6.183 7.117 7.664 1.00 0.00 N ATOM 51 CA ALA A 4 5.478 5.939 7.300 1.00 0.00 C ATOM 52 C ALA A 4 6.223 5.354 6.152 1.00 0.00 C ATOM 53 O ALA A 4 6.857 6.104 5.406 1.00 0.00 O ATOM 54 CB ALA A 4 4.053 6.274 6.879 1.00 0.00 C ATOM 0 HA ALA A 4 5.413 5.244 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.530 5.358 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.532 6.755 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.076 6.950 6.024 1.00 0.00 H new ATOM 60 N ALA A 5 6.210 4.068 6.022 1.00 0.00 N ATOM 61 CA ALA A 5 6.838 3.451 4.887 1.00 0.00 C ATOM 62 C ALA A 5 5.872 3.540 3.729 1.00 0.00 C ATOM 63 O ALA A 5 6.104 4.251 2.738 1.00 0.00 O ATOM 64 CB ALA A 5 7.186 1.999 5.200 1.00 0.00 C ATOM 0 H ALA A 5 5.775 3.422 6.681 1.00 0.00 H new ATOM 0 HA ALA A 5 7.769 3.959 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.661 1.543 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.870 1.963 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.276 1.451 5.445 1.00 0.00 H new ATOM 70 N LEU A 6 4.756 2.875 3.892 1.00 0.00 N ATOM 71 CA LEU A 6 3.701 2.887 2.936 1.00 0.00 C ATOM 72 C LEU A 6 2.392 2.529 3.607 1.00 0.00 C ATOM 73 O LEU A 6 2.333 1.604 4.429 1.00 0.00 O ATOM 74 CB LEU A 6 4.026 2.076 1.620 1.00 0.00 C ATOM 75 CG LEU A 6 4.414 0.552 1.650 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.572 0.212 2.557 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.236 -0.326 1.912 1.00 0.00 C ATOM 0 H LEU A 6 4.561 2.302 4.713 1.00 0.00 H new ATOM 0 HA LEU A 6 3.591 3.904 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.153 2.165 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.844 2.598 1.124 1.00 0.00 H new ATOM 0 HG LEU A 6 4.772 0.345 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.767 -0.860 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.459 0.756 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.327 0.494 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.554 -1.368 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.799 -0.070 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.493 -0.182 1.127 1.00 0.00 H new ATOM 89 N THR A 7 1.381 3.301 3.323 1.00 0.00 N ATOM 90 CA THR A 7 0.106 3.166 3.962 1.00 0.00 C ATOM 91 C THR A 7 -0.915 2.523 3.016 1.00 0.00 C ATOM 92 O THR A 7 -1.153 3.002 1.912 1.00 0.00 O ATOM 93 CB THR A 7 -0.380 4.549 4.429 1.00 0.00 C ATOM 94 OG1 THR A 7 0.690 5.182 5.166 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.592 4.421 5.341 1.00 0.00 C ATOM 0 H THR A 7 1.422 4.051 2.632 1.00 0.00 H new ATOM 0 HA THR A 7 0.211 2.512 4.828 1.00 0.00 H new ATOM 0 HB THR A 7 -0.662 5.139 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.399 6.067 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.916 5.413 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.402 3.929 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.327 3.829 6.217 1.00 0.00 H new ATOM 103 N ILE A 8 -1.480 1.449 3.463 1.00 0.00 N ATOM 104 CA ILE A 8 -2.438 0.678 2.726 1.00 0.00 C ATOM 105 C ILE A 8 -3.869 1.115 3.054 1.00 0.00 C ATOM 106 O ILE A 8 -4.236 1.253 4.229 1.00 0.00 O ATOM 107 CB ILE A 8 -2.259 -0.829 3.058 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.909 -1.343 2.540 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.416 -1.667 2.541 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.616 -2.780 2.909 1.00 0.00 C ATOM 0 H ILE A 8 -1.282 1.067 4.388 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.268 0.844 1.662 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.263 -0.931 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.887 -1.245 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.115 -0.708 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.249 -2.714 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.345 -1.326 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.485 -1.563 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.355 -3.068 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.604 -2.882 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.388 -3.427 2.492 1.00 0.00 H new ATOM 122 N TYR A 9 -4.643 1.357 2.020 1.00 0.00 N ATOM 123 CA TYR A 9 -6.046 1.663 2.150 1.00 0.00 C ATOM 124 C TYR A 9 -6.853 0.469 1.701 1.00 0.00 C ATOM 125 O TYR A 9 -6.721 0.030 0.547 1.00 0.00 O ATOM 126 CB TYR A 9 -6.433 2.878 1.304 1.00 0.00 C ATOM 127 CG TYR A 9 -5.800 4.176 1.727 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.145 4.777 2.924 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.876 4.811 0.924 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.581 5.973 3.311 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.313 6.007 1.309 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.663 6.582 2.495 1.00 0.00 C ATOM 133 OH TYR A 9 -4.074 7.774 2.870 1.00 0.00 O ATOM 0 H TYR A 9 -4.311 1.346 1.056 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.252 1.895 3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.163 2.680 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.517 2.993 1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.870 4.300 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.591 4.365 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.860 6.427 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.591 6.492 0.669 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.017 7.817 3.847 1.00 0.00 H new ATOM 143 N THR A 10 -7.645 -0.080 2.600 1.00 0.00 N ATOM 144 CA THR A 10 -8.477 -1.211 2.282 1.00 0.00 C ATOM 145 C THR A 10 -9.557 -1.374 3.360 1.00 0.00 C ATOM 146 O THR A 10 -9.464 -0.777 4.446 1.00 0.00 O ATOM 147 CB THR A 10 -7.610 -2.524 2.163 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.395 -3.630 1.675 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.983 -2.906 3.506 1.00 0.00 C ATOM 0 H THR A 10 -7.726 0.246 3.563 1.00 0.00 H new ATOM 0 HA THR A 10 -8.958 -1.038 1.319 1.00 0.00 H new ATOM 0 HB THR A 10 -6.815 -2.309 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.820 -4.242 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.393 -3.815 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.338 -2.097 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.771 -3.079 4.239 1.00 0.00 H new ATOM 157 N THR A 11 -10.586 -2.112 3.032 1.00 0.00 N ATOM 158 CA THR A 11 -11.601 -2.494 3.968 1.00 0.00 C ATOM 159 C THR A 11 -11.629 -4.018 4.066 1.00 0.00 C ATOM 160 O THR A 11 -10.929 -4.700 3.297 1.00 0.00 O ATOM 161 CB THR A 11 -12.966 -1.975 3.528 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.874 -1.442 2.201 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.478 -0.914 4.482 1.00 0.00 C ATOM 0 H THR A 11 -10.741 -2.469 2.089 1.00 0.00 H new ATOM 0 HA THR A 11 -11.374 -2.060 4.942 1.00 0.00 H new ATOM 0 HB THR A 11 -13.672 -2.806 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.566 -2.142 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.453 -0.561 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.572 -1.338 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.778 -0.079 4.506 1.00 0.00 H new ATOM 171 N SER A 12 -12.446 -4.559 4.953 1.00 0.00 N ATOM 172 CA SER A 12 -12.507 -5.993 5.158 1.00 0.00 C ATOM 173 C SER A 12 -13.276 -6.676 4.029 1.00 0.00 C ATOM 174 O SER A 12 -13.106 -7.868 3.792 1.00 0.00 O ATOM 175 CB SER A 12 -13.142 -6.319 6.527 1.00 0.00 C ATOM 176 OG SER A 12 -13.171 -7.731 6.783 1.00 0.00 O ATOM 0 H SER A 12 -13.079 -4.022 5.545 1.00 0.00 H new ATOM 0 HA SER A 12 -11.488 -6.379 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.580 -5.819 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.157 -5.924 6.559 1.00 0.00 H new ATOM 0 HG SER A 12 -13.578 -7.896 7.659 1.00 0.00 H new ATOM 182 N TRP A 13 -14.111 -5.923 3.331 1.00 0.00 N ATOM 183 CA TRP A 13 -14.883 -6.487 2.235 1.00 0.00 C ATOM 184 C TRP A 13 -14.026 -6.661 0.975 1.00 0.00 C ATOM 185 O TRP A 13 -14.410 -7.382 0.046 1.00 0.00 O ATOM 186 CB TRP A 13 -16.164 -5.667 1.944 1.00 0.00 C ATOM 187 CG TRP A 13 -15.939 -4.217 1.613 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.013 -3.163 2.470 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.632 -3.662 0.327 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.733 -1.996 1.809 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.508 -2.272 0.492 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.440 -4.207 -0.942 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.204 -1.421 -0.561 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.144 -3.365 -1.982 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.025 -1.985 -1.787 1.00 0.00 C ATOM 0 H TRP A 13 -14.271 -4.930 3.501 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.207 -7.479 2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.693 -6.134 1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.819 -5.727 2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.257 -3.236 3.520 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.698 -1.069 2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.523 -5.272 -1.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.113 -0.355 -0.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.000 -3.775 -2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.786 -1.352 -2.629 1.00 0.00 H new ATOM 206 N CYS A 14 -12.872 -6.015 0.953 1.00 0.00 N ATOM 207 CA CYS A 14 -11.969 -6.109 -0.173 1.00 0.00 C ATOM 208 C CYS A 14 -11.260 -7.458 -0.144 1.00 0.00 C ATOM 209 O CYS A 14 -10.412 -7.687 0.707 1.00 0.00 O ATOM 210 CB CYS A 14 -10.947 -4.981 -0.116 1.00 0.00 C ATOM 211 SG CYS A 14 -11.677 -3.335 -0.069 1.00 0.00 S ATOM 0 H CYS A 14 -12.540 -5.417 1.710 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.537 -6.021 -1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.321 -5.115 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.293 -5.053 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.824 -3.351 -0.680 1.00 0.00 H new ATOM 217 N GLY A 15 -11.603 -8.336 -1.078 1.00 0.00 N ATOM 218 CA GLY A 15 -11.046 -9.696 -1.109 1.00 0.00 C ATOM 219 C GLY A 15 -9.532 -9.741 -1.259 1.00 0.00 C ATOM 220 O GLY A 15 -8.888 -10.720 -0.903 1.00 0.00 O ATOM 0 H GLY A 15 -12.265 -8.137 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.326 -10.213 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.499 -10.245 -1.935 1.00 0.00 H new ATOM 224 N TYR A 16 -8.973 -8.689 -1.789 1.00 0.00 N ATOM 225 CA TYR A 16 -7.545 -8.595 -1.996 1.00 0.00 C ATOM 226 C TYR A 16 -6.775 -8.163 -0.751 1.00 0.00 C ATOM 227 O TYR A 16 -5.545 -8.162 -0.776 1.00 0.00 O ATOM 228 CB TYR A 16 -7.216 -7.669 -3.143 1.00 0.00 C ATOM 229 CG TYR A 16 -7.620 -8.166 -4.501 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.855 -9.116 -5.160 1.00 0.00 C ATOM 231 CD2 TYR A 16 -8.747 -7.672 -5.136 1.00 0.00 C ATOM 232 CE1 TYR A 16 -7.205 -9.560 -6.416 1.00 0.00 C ATOM 233 CE2 TYR A 16 -9.106 -8.115 -6.390 1.00 0.00 C ATOM 234 CZ TYR A 16 -8.333 -9.056 -7.025 1.00 0.00 C ATOM 235 OH TYR A 16 -8.683 -9.483 -8.289 1.00 0.00 O ATOM 0 H TYR A 16 -9.493 -7.866 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.222 -9.607 -2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.702 -6.710 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.141 -7.487 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.972 -9.514 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.354 -6.928 -4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.599 -10.298 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.991 -7.724 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.505 -9.030 -8.572 1.00 0.00 H new ATOM 245 N CYS A 17 -7.478 -7.780 0.320 1.00 0.00 N ATOM 246 CA CYS A 17 -6.820 -7.263 1.527 1.00 0.00 C ATOM 247 C CYS A 17 -5.768 -8.239 2.072 1.00 0.00 C ATOM 248 O CYS A 17 -4.580 -7.915 2.119 1.00 0.00 O ATOM 249 CB CYS A 17 -7.845 -6.874 2.613 1.00 0.00 C ATOM 250 SG CYS A 17 -8.956 -8.203 3.138 1.00 0.00 S ATOM 0 H CYS A 17 -8.496 -7.817 0.377 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.293 -6.355 1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.304 -6.509 3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.447 -6.045 2.241 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.918 -8.332 2.273 1.00 0.00 H new ATOM 256 N LEU A 18 -6.195 -9.450 2.417 1.00 0.00 N ATOM 257 CA LEU A 18 -5.282 -10.461 2.954 1.00 0.00 C ATOM 258 C LEU A 18 -4.326 -10.963 1.872 1.00 0.00 C ATOM 259 O LEU A 18 -3.206 -11.395 2.164 1.00 0.00 O ATOM 260 CB LEU A 18 -6.027 -11.651 3.623 1.00 0.00 C ATOM 261 CG LEU A 18 -6.802 -12.642 2.720 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.314 -13.806 3.543 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.962 -11.974 1.995 1.00 0.00 C ATOM 0 H LEU A 18 -7.164 -9.757 2.336 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.702 -9.971 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.293 -12.224 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.733 -11.237 4.343 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.105 -13.003 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.857 -14.497 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.473 -14.325 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.981 -13.436 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.475 -12.709 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.660 -11.565 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.583 -11.169 1.366 1.00 0.00 H new ATOM 275 N ARG A 19 -4.761 -10.871 0.617 1.00 0.00 N ATOM 276 CA ARG A 19 -3.949 -11.268 -0.514 1.00 0.00 C ATOM 277 C ARG A 19 -2.666 -10.455 -0.543 1.00 0.00 C ATOM 278 O ARG A 19 -1.573 -11.013 -0.613 1.00 0.00 O ATOM 279 CB ARG A 19 -4.711 -11.098 -1.836 1.00 0.00 C ATOM 280 CG ARG A 19 -3.911 -11.451 -3.107 1.00 0.00 C ATOM 281 CD ARG A 19 -3.565 -12.944 -3.218 1.00 0.00 C ATOM 282 NE ARG A 19 -2.631 -13.433 -2.179 1.00 0.00 N ATOM 283 CZ ARG A 19 -2.516 -14.728 -1.805 1.00 0.00 C ATOM 284 NH1 ARG A 19 -3.270 -15.664 -2.381 1.00 0.00 N ATOM 285 NH2 ARG A 19 -1.661 -15.071 -0.853 1.00 0.00 N ATOM 0 H ARG A 19 -5.684 -10.519 0.364 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.705 -12.324 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.605 -11.721 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.046 -10.064 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.487 -11.153 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.989 -10.870 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.487 -13.523 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.129 -13.132 -4.199 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.035 -12.748 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.938 -15.405 -3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.179 -16.639 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.088 -14.358 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.575 -16.048 -0.572 1.00 0.00 H new ATOM 299 N LEU A 20 -2.806 -9.158 -0.444 1.00 0.00 N ATOM 300 CA LEU A 20 -1.674 -8.261 -0.456 1.00 0.00 C ATOM 301 C LEU A 20 -0.807 -8.434 0.804 1.00 0.00 C ATOM 302 O LEU A 20 0.428 -8.463 0.714 1.00 0.00 O ATOM 303 CB LEU A 20 -2.154 -6.808 -0.619 1.00 0.00 C ATOM 304 CG LEU A 20 -1.083 -5.717 -0.521 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.006 -5.890 -1.579 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.705 -4.337 -0.612 1.00 0.00 C ATOM 0 H LEU A 20 -3.708 -8.691 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.044 -8.511 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.644 -6.718 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.911 -6.612 0.141 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.609 -5.818 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.745 -5.096 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.491 -6.857 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.441 -5.841 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.924 -3.580 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.223 -4.234 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.416 -4.204 0.204 1.00 0.00 H new ATOM 318 N LYS A 21 -1.466 -8.618 1.962 1.00 0.00 N ATOM 319 CA LYS A 21 -0.765 -8.753 3.257 1.00 0.00 C ATOM 320 C LYS A 21 0.256 -9.887 3.228 1.00 0.00 C ATOM 321 O LYS A 21 1.400 -9.706 3.650 1.00 0.00 O ATOM 322 CB LYS A 21 -1.742 -9.008 4.417 1.00 0.00 C ATOM 323 CG LYS A 21 -2.838 -7.970 4.601 1.00 0.00 C ATOM 324 CD LYS A 21 -2.305 -6.570 4.838 1.00 0.00 C ATOM 325 CE LYS A 21 -3.457 -5.589 5.030 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.219 -5.854 6.272 1.00 0.00 N ATOM 0 H LYS A 21 -2.482 -8.677 2.030 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.254 -7.804 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.211 -9.980 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.169 -9.071 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.475 -7.964 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.466 -8.260 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.662 -6.563 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.691 -6.259 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.065 -4.572 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.129 -5.649 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.981 -5.152 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.630 -6.808 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.582 -5.788 7.091 1.00 0.00 H new ATOM 340 N THR A 22 -0.156 -11.041 2.691 1.00 0.00 N ATOM 341 CA THR A 22 0.700 -12.228 2.647 1.00 0.00 C ATOM 342 C THR A 22 2.042 -11.973 1.943 1.00 0.00 C ATOM 343 O THR A 22 3.100 -12.395 2.428 1.00 0.00 O ATOM 344 CB THR A 22 -0.022 -13.447 2.007 1.00 0.00 C ATOM 345 OG1 THR A 22 -0.521 -13.122 0.688 1.00 0.00 O ATOM 346 CG2 THR A 22 -1.175 -13.915 2.881 1.00 0.00 C ATOM 0 H THR A 22 -1.080 -11.176 2.280 1.00 0.00 H new ATOM 0 HA THR A 22 0.918 -12.467 3.688 1.00 0.00 H new ATOM 0 HB THR A 22 0.710 -14.250 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.730 -12.166 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.664 -14.769 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.794 -14.208 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.894 -13.105 2.999 1.00 0.00 H new ATOM 354 N ALA A 23 2.002 -11.218 0.850 1.00 0.00 N ATOM 355 CA ALA A 23 3.189 -10.946 0.067 1.00 0.00 C ATOM 356 C ALA A 23 4.142 -10.041 0.838 1.00 0.00 C ATOM 357 O ALA A 23 5.373 -10.220 0.797 1.00 0.00 O ATOM 358 CB ALA A 23 2.809 -10.322 -1.268 1.00 0.00 C ATOM 0 H ALA A 23 1.152 -10.784 0.490 1.00 0.00 H new ATOM 0 HA ALA A 23 3.702 -11.888 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.711 -10.123 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.168 -11.008 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.276 -9.387 -1.094 1.00 0.00 H new ATOM 364 N LEU A 24 3.576 -9.107 1.582 1.00 0.00 N ATOM 365 CA LEU A 24 4.376 -8.172 2.350 1.00 0.00 C ATOM 366 C LEU A 24 5.001 -8.858 3.545 1.00 0.00 C ATOM 367 O LEU A 24 6.174 -8.650 3.833 1.00 0.00 O ATOM 368 CB LEU A 24 3.571 -6.958 2.806 1.00 0.00 C ATOM 369 CG LEU A 24 2.863 -6.117 1.733 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.233 -4.908 2.373 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.802 -5.669 0.632 1.00 0.00 C ATOM 0 H LEU A 24 2.568 -8.977 1.670 1.00 0.00 H new ATOM 0 HA LEU A 24 5.164 -7.814 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.815 -7.304 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.243 -6.300 3.357 1.00 0.00 H new ATOM 0 HG LEU A 24 2.102 -6.750 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.731 -4.313 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.506 -5.229 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.005 -4.307 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.250 -5.079 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.601 -5.063 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.232 -6.543 0.143 1.00 0.00 H new ATOM 383 N THR A 25 4.233 -9.688 4.212 1.00 0.00 N ATOM 384 CA THR A 25 4.711 -10.434 5.357 1.00 0.00 C ATOM 385 C THR A 25 5.826 -11.427 4.943 1.00 0.00 C ATOM 386 O THR A 25 6.788 -11.654 5.693 1.00 0.00 O ATOM 387 CB THR A 25 3.528 -11.155 6.046 1.00 0.00 C ATOM 388 OG1 THR A 25 2.536 -10.169 6.394 1.00 0.00 O ATOM 389 CG2 THR A 25 3.972 -11.883 7.314 1.00 0.00 C ATOM 0 H THR A 25 3.257 -9.867 3.977 1.00 0.00 H new ATOM 0 HA THR A 25 5.150 -9.741 6.075 1.00 0.00 H new ATOM 0 HB THR A 25 3.124 -11.897 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.042 -9.905 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.114 -12.377 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.727 -12.627 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.393 -11.165 8.018 1.00 0.00 H new ATOM 397 N ALA A 26 5.730 -11.945 3.717 1.00 0.00 N ATOM 398 CA ALA A 26 6.729 -12.873 3.170 1.00 0.00 C ATOM 399 C ALA A 26 8.098 -12.197 3.003 1.00 0.00 C ATOM 400 O ALA A 26 9.140 -12.852 3.064 1.00 0.00 O ATOM 401 CB ALA A 26 6.257 -13.429 1.834 1.00 0.00 C ATOM 0 H ALA A 26 4.964 -11.737 3.077 1.00 0.00 H new ATOM 0 HA ALA A 26 6.843 -13.691 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.007 -14.115 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.316 -13.961 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.110 -12.610 1.130 1.00 0.00 H new ATOM 407 N ASN A 27 8.082 -10.893 2.802 1.00 0.00 N ATOM 408 CA ASN A 27 9.312 -10.106 2.636 1.00 0.00 C ATOM 409 C ASN A 27 9.587 -9.269 3.863 1.00 0.00 C ATOM 410 O ASN A 27 10.563 -8.511 3.903 1.00 0.00 O ATOM 411 CB ASN A 27 9.211 -9.190 1.412 1.00 0.00 C ATOM 412 CG ASN A 27 9.406 -9.903 0.093 1.00 0.00 C ATOM 413 OD1 ASN A 27 10.523 -9.987 -0.417 1.00 0.00 O ATOM 414 ND2 ASN A 27 8.343 -10.417 -0.474 1.00 0.00 N ATOM 0 H ASN A 27 7.226 -10.342 2.748 1.00 0.00 H new ATOM 0 HA ASN A 27 10.133 -10.808 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.234 -8.708 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.956 -8.400 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.426 -10.905 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.432 -10.329 -0.024 1.00 0.00 H new ATOM 421 N ARG A 28 8.735 -9.439 4.870 1.00 0.00 N ATOM 422 CA ARG A 28 8.740 -8.638 6.091 1.00 0.00 C ATOM 423 C ARG A 28 8.828 -7.164 5.802 1.00 0.00 C ATOM 424 O ARG A 28 9.785 -6.477 6.185 1.00 0.00 O ATOM 425 CB ARG A 28 9.772 -9.068 7.124 1.00 0.00 C ATOM 426 CG ARG A 28 9.482 -10.406 7.761 1.00 0.00 C ATOM 427 CD ARG A 28 10.347 -10.615 8.979 1.00 0.00 C ATOM 428 NE ARG A 28 10.086 -9.596 10.016 1.00 0.00 N ATOM 429 CZ ARG A 28 10.428 -9.697 11.304 1.00 0.00 C ATOM 430 NH1 ARG A 28 11.098 -10.759 11.746 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.116 -8.719 12.147 1.00 0.00 N ATOM 0 H ARG A 28 8.006 -10.153 4.860 1.00 0.00 H new ATOM 0 HA ARG A 28 7.772 -8.834 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.752 -9.108 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.827 -8.310 7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.430 -10.460 8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.661 -11.204 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.163 -11.608 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.397 -10.579 8.690 1.00 0.00 H new ATOM 0 HE ARG A 28 9.605 -8.745 9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.355 -11.505 11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.354 -10.827 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.617 -7.895 11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.375 -8.792 13.131 1.00 0.00 H new ATOM 445 N ILE A 29 7.874 -6.701 5.065 1.00 0.00 N ATOM 446 CA ILE A 29 7.806 -5.328 4.713 1.00 0.00 C ATOM 447 C ILE A 29 7.015 -4.612 5.771 1.00 0.00 C ATOM 448 O ILE A 29 5.947 -5.078 6.176 1.00 0.00 O ATOM 449 CB ILE A 29 7.155 -5.139 3.323 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.966 -5.933 2.287 1.00 0.00 C ATOM 451 CG2 ILE A 29 7.115 -3.649 2.954 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.350 -6.027 0.925 1.00 0.00 C ATOM 0 H ILE A 29 7.116 -7.271 4.689 1.00 0.00 H new ATOM 0 HA ILE A 29 8.813 -4.915 4.653 1.00 0.00 H new ATOM 0 HB ILE A 29 6.129 -5.507 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.950 -5.474 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.121 -6.943 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.654 -3.529 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.532 -3.106 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.130 -3.253 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.001 -6.607 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.379 -6.517 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.221 -5.026 0.514 1.00 0.00 H new ATOM 464 N ALA A 30 7.573 -3.557 6.271 1.00 0.00 N ATOM 465 CA ALA A 30 6.923 -2.748 7.248 1.00 0.00 C ATOM 466 C ALA A 30 5.904 -1.869 6.566 1.00 0.00 C ATOM 467 O ALA A 30 6.249 -0.944 5.841 1.00 0.00 O ATOM 468 CB ALA A 30 7.935 -1.907 7.974 1.00 0.00 C ATOM 0 H ALA A 30 8.503 -3.230 6.009 1.00 0.00 H new ATOM 0 HA ALA A 30 6.419 -3.386 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.430 -1.292 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.659 -2.555 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.451 -1.264 7.262 1.00 0.00 H new ATOM 474 N TYR A 31 4.676 -2.177 6.756 1.00 0.00 N ATOM 475 CA TYR A 31 3.621 -1.419 6.168 1.00 0.00 C ATOM 476 C TYR A 31 2.785 -0.787 7.242 1.00 0.00 C ATOM 477 O TYR A 31 3.025 -0.992 8.434 1.00 0.00 O ATOM 478 CB TYR A 31 2.748 -2.294 5.243 1.00 0.00 C ATOM 479 CG TYR A 31 2.149 -3.524 5.893 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.842 -4.720 5.920 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.888 -3.487 6.462 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.301 -5.850 6.499 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.338 -4.605 7.045 1.00 0.00 C ATOM 484 CZ TYR A 31 1.046 -5.788 7.063 1.00 0.00 C ATOM 485 OH TYR A 31 0.497 -6.913 7.658 1.00 0.00 O ATOM 0 H TYR A 31 4.366 -2.964 7.325 1.00 0.00 H new ATOM 0 HA TYR A 31 4.065 -0.634 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.938 -1.681 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.352 -2.610 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.827 -4.771 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.326 -2.565 6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.857 -6.776 6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.646 -4.556 7.488 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.393 -6.697 8.007 1.00 0.00 H new ATOM 495 N ASP A 32 1.857 0.004 6.836 1.00 0.00 N ATOM 496 CA ASP A 32 0.906 0.598 7.726 1.00 0.00 C ATOM 497 C ASP A 32 -0.411 0.559 7.015 1.00 0.00 C ATOM 498 O ASP A 32 -0.450 0.752 5.815 1.00 0.00 O ATOM 499 CB ASP A 32 1.303 2.038 8.067 1.00 0.00 C ATOM 500 CG ASP A 32 0.391 2.668 9.089 1.00 0.00 C ATOM 501 OD1 ASP A 32 0.424 2.249 10.268 1.00 0.00 O ATOM 502 OD2 ASP A 32 -0.331 3.618 8.756 1.00 0.00 O ATOM 0 H ASP A 32 1.729 0.266 5.859 1.00 0.00 H new ATOM 0 HA ASP A 32 0.859 0.058 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.326 2.049 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.292 2.638 7.157 1.00 0.00 H new ATOM 507 N GLU A 33 -1.455 0.259 7.701 1.00 0.00 N ATOM 508 CA GLU A 33 -2.750 0.136 7.084 1.00 0.00 C ATOM 509 C GLU A 33 -3.763 0.934 7.867 1.00 0.00 C ATOM 510 O GLU A 33 -3.694 1.005 9.101 1.00 0.00 O ATOM 511 CB GLU A 33 -3.149 -1.346 6.994 1.00 0.00 C ATOM 512 CG GLU A 33 -3.125 -2.094 8.316 1.00 0.00 C ATOM 513 CD GLU A 33 -3.522 -3.527 8.151 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.713 -3.843 8.210 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.656 -4.378 7.922 1.00 0.00 O ATOM 0 H GLU A 33 -1.448 0.090 8.707 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.714 0.535 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.152 -1.413 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.477 -1.847 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.125 -2.041 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.800 -1.609 9.021 1.00 0.00 H new ATOM 522 N VAL A 34 -4.658 1.569 7.177 1.00 0.00 N ATOM 523 CA VAL A 34 -5.684 2.340 7.814 1.00 0.00 C ATOM 524 C VAL A 34 -7.000 2.087 7.096 1.00 0.00 C ATOM 525 O VAL A 34 -7.020 1.892 5.868 1.00 0.00 O ATOM 526 CB VAL A 34 -5.318 3.868 7.881 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.186 4.501 6.511 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.298 4.640 8.740 1.00 0.00 C ATOM 0 H VAL A 34 -4.700 1.569 6.158 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.783 2.023 8.852 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.336 3.923 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.933 5.555 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.400 3.995 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.131 4.409 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.012 5.692 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.301 4.545 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.287 4.240 9.754 1.00 0.00 H new ATOM 538 N ASP A 35 -8.077 2.028 7.852 1.00 0.00 N ATOM 539 CA ASP A 35 -9.378 1.739 7.285 1.00 0.00 C ATOM 540 C ASP A 35 -9.930 2.931 6.524 1.00 0.00 C ATOM 541 O ASP A 35 -9.750 4.084 6.915 1.00 0.00 O ATOM 542 CB ASP A 35 -10.334 1.323 8.404 1.00 0.00 C ATOM 543 CG ASP A 35 -11.790 1.348 7.995 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.232 0.480 7.222 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.502 2.251 8.430 1.00 0.00 O ATOM 0 H ASP A 35 -8.077 2.176 8.861 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.274 0.921 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.076 0.318 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.193 1.987 9.257 1.00 0.00 H new ATOM 550 N ILE A 36 -10.551 2.636 5.415 1.00 0.00 N ATOM 551 CA ILE A 36 -11.162 3.633 4.564 1.00 0.00 C ATOM 552 C ILE A 36 -12.591 3.986 4.973 1.00 0.00 C ATOM 553 O ILE A 36 -13.075 5.072 4.693 1.00 0.00 O ATOM 554 CB ILE A 36 -11.104 3.224 3.079 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.919 1.953 2.811 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.655 3.006 2.696 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.977 1.555 1.347 1.00 0.00 C ATOM 0 H ILE A 36 -10.651 1.682 5.067 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.568 4.537 4.698 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.540 4.020 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.490 1.131 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.935 2.101 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.596 2.716 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.095 3.929 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.230 2.217 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.571 0.647 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.434 2.358 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.967 1.373 0.979 1.00 0.00 H new ATOM 569 N GLU A 37 -13.254 3.073 5.642 1.00 0.00 N ATOM 570 CA GLU A 37 -14.675 3.199 5.894 1.00 0.00 C ATOM 571 C GLU A 37 -14.973 4.263 6.945 1.00 0.00 C ATOM 572 O GLU A 37 -15.924 5.041 6.807 1.00 0.00 O ATOM 573 CB GLU A 37 -15.233 1.842 6.273 1.00 0.00 C ATOM 574 CG GLU A 37 -16.727 1.777 6.439 1.00 0.00 C ATOM 575 CD GLU A 37 -17.181 0.369 6.646 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.184 -0.111 7.801 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.534 -0.298 5.664 1.00 0.00 O ATOM 0 H GLU A 37 -12.831 2.228 6.025 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.171 3.537 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.939 1.122 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.768 1.525 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.029 2.389 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.213 2.194 5.557 1.00 0.00 H new ATOM 584 N HIS A 38 -14.156 4.327 7.953 1.00 0.00 N ATOM 585 CA HIS A 38 -14.324 5.321 9.000 1.00 0.00 C ATOM 586 C HIS A 38 -13.579 6.615 8.671 1.00 0.00 C ATOM 587 O HIS A 38 -13.569 7.569 9.459 1.00 0.00 O ATOM 588 CB HIS A 38 -13.889 4.759 10.360 1.00 0.00 C ATOM 589 CG HIS A 38 -14.769 3.646 10.856 1.00 0.00 C ATOM 590 ND1 HIS A 38 -15.627 3.760 11.919 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.907 2.372 10.411 1.00 0.00 C ATOM 592 CE1 HIS A 38 -16.240 2.595 12.082 1.00 0.00 C ATOM 593 NE2 HIS A 38 -15.838 1.712 11.190 1.00 0.00 N ATOM 0 H HIS A 38 -13.359 3.704 8.084 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.385 5.565 9.059 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.864 4.395 10.283 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.887 5.565 11.094 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.372 1.941 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.975 2.396 12.848 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.149 0.745 11.095 1.00 0.00 H new ATOM 601 N ASN A 39 -12.984 6.656 7.498 1.00 0.00 N ATOM 602 CA ASN A 39 -12.210 7.805 7.058 1.00 0.00 C ATOM 603 C ASN A 39 -12.653 8.234 5.670 1.00 0.00 C ATOM 604 O ASN A 39 -12.170 7.687 4.667 1.00 0.00 O ATOM 605 CB ASN A 39 -10.707 7.472 7.049 1.00 0.00 C ATOM 606 CG ASN A 39 -10.112 7.270 8.433 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.498 7.926 9.400 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.213 6.336 8.551 1.00 0.00 N ATOM 0 H ASN A 39 -13.021 5.895 6.820 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.382 8.624 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.549 6.568 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.170 8.277 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.808 6.131 9.464 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.914 5.810 7.730 1.00 0.00 H new ATOM 615 N ARG A 40 -13.595 9.187 5.611 1.00 0.00 N ATOM 616 CA ARG A 40 -14.153 9.687 4.336 1.00 0.00 C ATOM 617 C ARG A 40 -13.079 10.010 3.303 1.00 0.00 C ATOM 618 O ARG A 40 -13.105 9.478 2.200 1.00 0.00 O ATOM 619 CB ARG A 40 -15.012 10.944 4.530 1.00 0.00 C ATOM 620 CG ARG A 40 -15.396 11.567 3.190 1.00 0.00 C ATOM 621 CD ARG A 40 -16.009 12.931 3.313 1.00 0.00 C ATOM 622 NE ARG A 40 -15.992 13.599 2.004 1.00 0.00 N ATOM 623 CZ ARG A 40 -16.327 14.857 1.768 1.00 0.00 C ATOM 624 NH1 ARG A 40 -16.893 15.595 2.710 1.00 0.00 N ATOM 625 NH2 ARG A 40 -16.112 15.359 0.564 1.00 0.00 N ATOM 0 H ARG A 40 -13.992 9.633 6.438 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.770 8.868 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.914 10.688 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.464 11.672 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.508 11.633 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.098 10.907 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.033 12.849 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.458 13.524 4.042 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.694 13.041 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.076 15.195 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.147 16.564 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.695 14.779 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.364 16.327 0.363 1.00 0.00 H new ATOM 639 N ALA A 41 -12.141 10.870 3.679 1.00 0.00 N ATOM 640 CA ALA A 41 -11.111 11.359 2.768 1.00 0.00 C ATOM 641 C ALA A 41 -10.280 10.229 2.221 1.00 0.00 C ATOM 642 O ALA A 41 -9.914 10.243 1.063 1.00 0.00 O ATOM 643 CB ALA A 41 -10.225 12.391 3.451 1.00 0.00 C ATOM 0 H ALA A 41 -12.072 11.249 4.624 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.616 11.840 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.466 12.739 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.833 13.235 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.740 11.939 4.316 1.00 0.00 H new ATOM 649 N ALA A 42 -10.038 9.228 3.039 1.00 0.00 N ATOM 650 CA ALA A 42 -9.263 8.096 2.613 1.00 0.00 C ATOM 651 C ALA A 42 -10.032 7.290 1.585 1.00 0.00 C ATOM 652 O ALA A 42 -9.501 6.981 0.537 1.00 0.00 O ATOM 653 CB ALA A 42 -8.846 7.227 3.781 1.00 0.00 C ATOM 0 H ALA A 42 -10.369 9.180 4.002 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.350 8.472 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.262 6.382 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.242 7.813 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.734 6.859 4.296 1.00 0.00 H new ATOM 659 N ALA A 43 -11.307 7.009 1.870 1.00 0.00 N ATOM 660 CA ALA A 43 -12.169 6.237 0.959 1.00 0.00 C ATOM 661 C ALA A 43 -12.430 7.000 -0.333 1.00 0.00 C ATOM 662 O ALA A 43 -12.508 6.414 -1.425 1.00 0.00 O ATOM 663 CB ALA A 43 -13.483 5.899 1.627 1.00 0.00 C ATOM 0 H ALA A 43 -11.771 7.305 2.729 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.645 5.313 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.106 5.329 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.294 5.305 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.998 6.819 1.904 1.00 0.00 H new ATOM 669 N GLU A 44 -12.570 8.296 -0.199 1.00 0.00 N ATOM 670 CA GLU A 44 -12.789 9.189 -1.311 1.00 0.00 C ATOM 671 C GLU A 44 -11.539 9.188 -2.209 1.00 0.00 C ATOM 672 O GLU A 44 -11.631 9.192 -3.437 1.00 0.00 O ATOM 673 CB GLU A 44 -13.113 10.592 -0.751 1.00 0.00 C ATOM 674 CG GLU A 44 -13.482 11.640 -1.775 1.00 0.00 C ATOM 675 CD GLU A 44 -13.947 12.929 -1.142 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.163 13.056 -0.827 1.00 0.00 O ATOM 677 OE2 GLU A 44 -13.133 13.846 -0.961 1.00 0.00 O ATOM 0 H GLU A 44 -12.534 8.769 0.704 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.631 8.867 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.936 10.498 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.248 10.947 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.620 11.842 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.270 11.251 -2.420 1.00 0.00 H new ATOM 684 N PHE A 45 -10.394 9.110 -1.571 1.00 0.00 N ATOM 685 CA PHE A 45 -9.109 9.059 -2.232 1.00 0.00 C ATOM 686 C PHE A 45 -8.901 7.704 -2.935 1.00 0.00 C ATOM 687 O PHE A 45 -8.788 7.643 -4.163 1.00 0.00 O ATOM 688 CB PHE A 45 -8.017 9.318 -1.188 1.00 0.00 C ATOM 689 CG PHE A 45 -6.612 9.267 -1.683 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.110 10.283 -2.478 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.779 8.218 -1.326 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.804 10.257 -2.912 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.476 8.190 -1.762 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.987 9.212 -2.554 1.00 0.00 C ATOM 0 H PHE A 45 -10.328 9.079 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.062 9.825 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.190 10.300 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.126 8.585 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.750 11.105 -2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.155 7.420 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.423 11.055 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.833 7.368 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.961 9.189 -2.892 1.00 0.00 H new ATOM 704 N VAL A 46 -8.911 6.626 -2.151 1.00 0.00 N ATOM 705 CA VAL A 46 -8.661 5.270 -2.658 1.00 0.00 C ATOM 706 C VAL A 46 -9.663 4.841 -3.745 1.00 0.00 C ATOM 707 O VAL A 46 -9.280 4.202 -4.728 1.00 0.00 O ATOM 708 CB VAL A 46 -8.564 4.215 -1.497 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.761 4.249 -0.638 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.403 2.820 -2.004 1.00 0.00 C ATOM 0 H VAL A 46 -9.092 6.664 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.686 5.305 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.679 4.492 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.661 3.507 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.864 5.240 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.644 4.025 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.341 2.131 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.260 2.557 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.491 2.751 -2.597 1.00 0.00 H new ATOM 720 N GLY A 47 -10.909 5.256 -3.606 1.00 0.00 N ATOM 721 CA GLY A 47 -11.922 4.899 -4.580 1.00 0.00 C ATOM 722 C GLY A 47 -11.700 5.570 -5.923 1.00 0.00 C ATOM 723 O GLY A 47 -12.097 5.043 -6.959 1.00 0.00 O ATOM 0 H GLY A 47 -11.241 5.835 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.927 3.817 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.904 5.177 -4.197 1.00 0.00 H new ATOM 727 N SER A 48 -11.050 6.706 -5.912 1.00 0.00 N ATOM 728 CA SER A 48 -10.787 7.437 -7.126 1.00 0.00 C ATOM 729 C SER A 48 -9.540 6.887 -7.836 1.00 0.00 C ATOM 730 O SER A 48 -9.457 6.881 -9.065 1.00 0.00 O ATOM 731 CB SER A 48 -10.621 8.914 -6.788 1.00 0.00 C ATOM 732 OG SER A 48 -11.780 9.403 -6.122 1.00 0.00 O ATOM 0 H SER A 48 -10.690 7.149 -5.067 1.00 0.00 H new ATOM 0 HA SER A 48 -11.627 7.319 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.744 9.053 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.449 9.485 -7.700 1.00 0.00 H new ATOM 0 HG SER A 48 -11.704 9.227 -5.161 1.00 0.00 H new ATOM 738 N VAL A 49 -8.609 6.367 -7.057 1.00 0.00 N ATOM 739 CA VAL A 49 -7.338 5.858 -7.583 1.00 0.00 C ATOM 740 C VAL A 49 -7.378 4.336 -7.755 1.00 0.00 C ATOM 741 O VAL A 49 -6.340 3.678 -7.956 1.00 0.00 O ATOM 742 CB VAL A 49 -6.157 6.243 -6.655 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.037 7.743 -6.557 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.339 5.658 -5.274 1.00 0.00 C ATOM 0 H VAL A 49 -8.704 6.282 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.187 6.318 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.244 5.834 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.204 7.999 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.861 8.159 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.960 8.156 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.497 5.944 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.263 6.036 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.389 4.571 -5.343 1.00 0.00 H new ATOM 754 N ASN A 50 -8.562 3.786 -7.686 1.00 0.00 N ATOM 755 CA ASN A 50 -8.749 2.348 -7.800 1.00 0.00 C ATOM 756 C ASN A 50 -8.742 1.914 -9.254 1.00 0.00 C ATOM 757 O ASN A 50 -8.739 2.747 -10.160 1.00 0.00 O ATOM 758 CB ASN A 50 -10.076 1.918 -7.162 1.00 0.00 C ATOM 759 CG ASN A 50 -9.892 0.957 -6.019 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.687 0.047 -5.820 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.901 1.170 -5.236 1.00 0.00 N ATOM 0 H ASN A 50 -9.425 4.312 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.921 1.871 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.605 2.802 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.705 1.455 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.758 0.574 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.255 1.936 -5.428 1.00 0.00 H new ATOM 768 N GLY A 51 -8.773 0.616 -9.474 1.00 0.00 N ATOM 769 CA GLY A 51 -8.825 0.084 -10.817 1.00 0.00 C ATOM 770 C GLY A 51 -10.258 -0.068 -11.263 1.00 0.00 C ATOM 771 O GLY A 51 -10.737 -1.179 -11.513 1.00 0.00 O ATOM 0 H GLY A 51 -8.763 -0.090 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.293 0.747 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.321 -0.882 -10.853 1.00 0.00 H new ATOM 775 N GLY A 52 -10.936 1.037 -11.351 1.00 0.00 N ATOM 776 CA GLY A 52 -12.326 1.046 -11.672 1.00 0.00 C ATOM 777 C GLY A 52 -13.086 1.613 -10.513 1.00 0.00 C ATOM 778 O GLY A 52 -12.851 2.759 -10.112 1.00 0.00 O ATOM 0 H GLY A 52 -10.535 1.962 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.503 1.642 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.669 0.035 -11.890 1.00 0.00 H new ATOM 782 N ASN A 53 -13.968 0.835 -9.952 1.00 0.00 N ATOM 783 CA ASN A 53 -14.679 1.256 -8.766 1.00 0.00 C ATOM 784 C ASN A 53 -13.942 0.745 -7.559 1.00 0.00 C ATOM 785 O ASN A 53 -13.061 -0.103 -7.689 1.00 0.00 O ATOM 786 CB ASN A 53 -16.154 0.768 -8.741 1.00 0.00 C ATOM 787 CG ASN A 53 -16.322 -0.751 -8.621 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.318 -1.470 -9.619 1.00 0.00 O ATOM 789 ND2 ASN A 53 -16.512 -1.249 -7.419 1.00 0.00 N ATOM 0 H ASN A 53 -14.216 -0.094 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.717 2.345 -8.764 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.666 1.244 -7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.650 1.104 -9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.660 -2.251 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.511 -0.633 -6.606 1.00 0.00 H new ATOM 796 N ARG A 54 -14.264 1.297 -6.416 1.00 0.00 N ATOM 797 CA ARG A 54 -13.720 0.884 -5.134 1.00 0.00 C ATOM 798 C ARG A 54 -13.941 -0.618 -4.918 1.00 0.00 C ATOM 799 O ARG A 54 -15.073 -1.086 -4.801 1.00 0.00 O ATOM 800 CB ARG A 54 -14.347 1.746 -4.012 1.00 0.00 C ATOM 801 CG ARG A 54 -15.877 1.761 -4.024 1.00 0.00 C ATOM 802 CD ARG A 54 -16.454 2.857 -3.141 1.00 0.00 C ATOM 803 NE ARG A 54 -16.174 2.683 -1.698 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.284 3.671 -0.773 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.609 4.912 -1.151 1.00 0.00 N ATOM 806 NH2 ARG A 54 -16.088 3.410 0.519 1.00 0.00 N ATOM 0 H ARG A 54 -14.929 2.067 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.642 1.045 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.005 1.373 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.983 2.769 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.228 1.900 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.250 0.793 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.053 3.818 -3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.533 2.896 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.879 1.761 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.775 5.118 -2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.691 5.652 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.854 2.463 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.172 4.157 1.209 1.00 0.00 H new ATOM 820 N THR A 55 -12.856 -1.363 -4.962 1.00 0.00 N ATOM 821 CA THR A 55 -12.893 -2.798 -4.804 1.00 0.00 C ATOM 822 C THR A 55 -11.504 -3.357 -4.463 1.00 0.00 C ATOM 823 O THR A 55 -11.392 -4.408 -3.823 1.00 0.00 O ATOM 824 CB THR A 55 -13.463 -3.507 -6.086 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.524 -4.943 -5.902 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.614 -3.185 -7.319 1.00 0.00 C ATOM 0 H THR A 55 -11.920 -0.986 -5.109 1.00 0.00 H new ATOM 0 HA THR A 55 -13.565 -3.009 -3.972 1.00 0.00 H new ATOM 0 HB THR A 55 -14.472 -3.127 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.883 -5.362 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.032 -3.689 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.612 -2.108 -7.489 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.592 -3.528 -7.157 1.00 0.00 H new ATOM 834 N VAL A 56 -10.462 -2.667 -4.874 1.00 0.00 N ATOM 835 CA VAL A 56 -9.115 -3.136 -4.648 1.00 0.00 C ATOM 836 C VAL A 56 -8.370 -2.227 -3.686 1.00 0.00 C ATOM 837 O VAL A 56 -8.656 -1.029 -3.608 1.00 0.00 O ATOM 838 CB VAL A 56 -8.298 -3.306 -5.969 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.774 -4.507 -6.761 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.382 -2.069 -6.836 1.00 0.00 C ATOM 0 H VAL A 56 -10.524 -1.777 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.213 -4.125 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.259 -3.462 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.185 -4.597 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.654 -5.409 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.826 -4.380 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.802 -2.223 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.423 -1.877 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.981 -1.215 -6.291 1.00 0.00 H new ATOM 850 N PRO A 57 -7.421 -2.780 -2.926 1.00 0.00 N ATOM 851 CA PRO A 57 -6.617 -2.004 -2.010 1.00 0.00 C ATOM 852 C PRO A 57 -5.657 -1.106 -2.775 1.00 0.00 C ATOM 853 O PRO A 57 -5.261 -1.403 -3.922 1.00 0.00 O ATOM 854 CB PRO A 57 -5.848 -3.062 -1.207 1.00 0.00 C ATOM 855 CG PRO A 57 -5.800 -4.246 -2.097 1.00 0.00 C ATOM 856 CD PRO A 57 -7.057 -4.201 -2.910 1.00 0.00 C ATOM 0 HA PRO A 57 -7.212 -1.347 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.846 -2.716 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.353 -3.292 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.919 -4.217 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.742 -5.168 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.894 -4.582 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.843 -4.809 -2.463 1.00 0.00 H new ATOM 864 N THR A 58 -5.330 -0.006 -2.199 1.00 0.00 N ATOM 865 CA THR A 58 -4.416 0.904 -2.805 1.00 0.00 C ATOM 866 C THR A 58 -3.401 1.303 -1.789 1.00 0.00 C ATOM 867 O THR A 58 -3.727 1.525 -0.618 1.00 0.00 O ATOM 868 CB THR A 58 -5.155 2.129 -3.360 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.222 1.664 -4.204 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.241 3.002 -4.196 1.00 0.00 C ATOM 0 H THR A 58 -5.687 0.293 -1.292 1.00 0.00 H new ATOM 0 HA THR A 58 -3.917 0.422 -3.646 1.00 0.00 H new ATOM 0 HB THR A 58 -5.525 2.718 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.286 2.238 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.800 3.859 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.410 3.351 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.855 2.425 -5.036 1.00 0.00 H new ATOM 878 N VAL A 59 -2.191 1.333 -2.206 1.00 0.00 N ATOM 879 CA VAL A 59 -1.133 1.648 -1.345 1.00 0.00 C ATOM 880 C VAL A 59 -0.644 3.068 -1.616 1.00 0.00 C ATOM 881 O VAL A 59 -0.392 3.448 -2.764 1.00 0.00 O ATOM 882 CB VAL A 59 -0.009 0.606 -1.468 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.573 0.546 -2.856 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.044 0.857 -0.472 1.00 0.00 C ATOM 0 H VAL A 59 -1.912 1.136 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.483 1.615 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.456 -0.368 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.362 -0.205 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.209 0.281 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.988 1.519 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.829 0.108 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.465 1.850 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.618 0.799 0.530 1.00 0.00 H new ATOM 894 N LYS A 60 -0.574 3.838 -0.579 1.00 0.00 N ATOM 895 CA LYS A 60 -0.182 5.211 -0.648 1.00 0.00 C ATOM 896 C LYS A 60 1.140 5.331 0.081 1.00 0.00 C ATOM 897 O LYS A 60 1.207 5.140 1.298 1.00 0.00 O ATOM 898 CB LYS A 60 -1.284 6.038 0.034 1.00 0.00 C ATOM 899 CG LYS A 60 -1.327 7.549 -0.261 1.00 0.00 C ATOM 900 CD LYS A 60 -0.235 8.342 0.418 1.00 0.00 C ATOM 901 CE LYS A 60 -0.363 8.346 1.945 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.615 9.003 2.424 1.00 0.00 N ATOM 0 H LYS A 60 -0.794 3.522 0.366 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.058 5.571 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.247 5.613 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.183 5.909 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.255 7.700 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.294 7.942 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.734 7.927 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.258 9.369 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.336 7.319 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.497 8.859 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.448 9.430 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.899 9.743 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.372 8.294 2.499 1.00 0.00 H new ATOM 916 N PHE A 61 2.177 5.604 -0.646 1.00 0.00 N ATOM 917 CA PHE A 61 3.500 5.670 -0.063 1.00 0.00 C ATOM 918 C PHE A 61 3.748 7.006 0.591 1.00 0.00 C ATOM 919 O PHE A 61 2.964 7.943 0.425 1.00 0.00 O ATOM 920 CB PHE A 61 4.573 5.397 -1.102 1.00 0.00 C ATOM 921 CG PHE A 61 4.568 4.009 -1.658 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.652 3.640 -2.617 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.501 3.079 -1.237 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.669 2.383 -3.150 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.516 1.818 -1.763 1.00 0.00 C ATOM 926 CZ PHE A 61 4.604 1.473 -2.721 1.00 0.00 C ATOM 0 H PHE A 61 2.143 5.787 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 61 3.550 4.896 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.452 6.103 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.549 5.591 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.912 4.352 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.226 3.352 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.950 2.105 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.245 1.097 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.619 0.479 -3.143 1.00 0.00 H new ATOM 936 N ALA A 62 4.859 7.107 1.303 1.00 0.00 N ATOM 937 CA ALA A 62 5.242 8.327 2.005 1.00 0.00 C ATOM 938 C ALA A 62 5.514 9.489 1.044 1.00 0.00 C ATOM 939 O ALA A 62 5.538 10.652 1.456 1.00 0.00 O ATOM 940 CB ALA A 62 6.457 8.076 2.882 1.00 0.00 C ATOM 0 H ALA A 62 5.525 6.343 1.412 1.00 0.00 H new ATOM 0 HA ALA A 62 4.398 8.614 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.729 8.996 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.223 7.304 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.291 7.747 2.262 1.00 0.00 H new ATOM 946 N ASP A 63 5.711 9.183 -0.230 1.00 0.00 N ATOM 947 CA ASP A 63 5.965 10.221 -1.224 1.00 0.00 C ATOM 948 C ASP A 63 4.644 10.788 -1.744 1.00 0.00 C ATOM 949 O ASP A 63 4.621 11.812 -2.428 1.00 0.00 O ATOM 950 CB ASP A 63 6.801 9.691 -2.403 1.00 0.00 C ATOM 951 CG ASP A 63 6.017 8.812 -3.350 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.762 7.647 -3.030 1.00 0.00 O ATOM 953 OD2 ASP A 63 5.642 9.277 -4.440 1.00 0.00 O ATOM 0 H ASP A 63 5.701 8.233 -0.600 1.00 0.00 H new ATOM 0 HA ASP A 63 6.536 11.010 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.209 10.536 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.648 9.127 -2.013 1.00 0.00 H new ATOM 958 N GLY A 64 3.550 10.111 -1.431 1.00 0.00 N ATOM 959 CA GLY A 64 2.244 10.589 -1.830 1.00 0.00 C ATOM 960 C GLY A 64 1.640 9.812 -2.986 1.00 0.00 C ATOM 961 O GLY A 64 0.428 9.858 -3.198 1.00 0.00 O ATOM 0 H GLY A 64 3.544 9.236 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.570 10.535 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.321 11.640 -2.110 1.00 0.00 H new ATOM 965 N SER A 65 2.455 9.088 -3.714 1.00 0.00 N ATOM 966 CA SER A 65 1.964 8.369 -4.865 1.00 0.00 C ATOM 967 C SER A 65 1.295 7.058 -4.475 1.00 0.00 C ATOM 968 O SER A 65 1.663 6.419 -3.466 1.00 0.00 O ATOM 969 CB SER A 65 3.083 8.122 -5.849 1.00 0.00 C ATOM 970 OG SER A 65 3.724 9.345 -6.196 1.00 0.00 O ATOM 0 H SER A 65 3.453 8.981 -3.533 1.00 0.00 H new ATOM 0 HA SER A 65 1.206 8.991 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.810 7.434 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.687 7.645 -6.746 1.00 0.00 H new ATOM 0 HG SER A 65 4.406 9.559 -5.526 1.00 0.00 H new ATOM 976 N THR A 66 0.323 6.677 -5.262 1.00 0.00 N ATOM 977 CA THR A 66 -0.431 5.488 -5.049 1.00 0.00 C ATOM 978 C THR A 66 -0.230 4.488 -6.163 1.00 0.00 C ATOM 979 O THR A 66 -0.064 4.863 -7.331 1.00 0.00 O ATOM 980 CB THR A 66 -1.921 5.830 -4.960 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.252 6.837 -5.936 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.276 6.313 -3.591 1.00 0.00 C ATOM 0 H THR A 66 0.034 7.204 -6.086 1.00 0.00 H new ATOM 0 HA THR A 66 -0.082 5.043 -4.117 1.00 0.00 H new ATOM 0 HB THR A 66 -2.494 4.925 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.207 7.050 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.339 6.550 -3.553 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.051 5.535 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.697 7.207 -3.359 1.00 0.00 H new ATOM 990 N LEU A 67 -0.206 3.241 -5.806 1.00 0.00 N ATOM 991 CA LEU A 67 -0.191 2.178 -6.772 1.00 0.00 C ATOM 992 C LEU A 67 -1.376 1.277 -6.457 1.00 0.00 C ATOM 993 O LEU A 67 -1.598 0.920 -5.283 1.00 0.00 O ATOM 994 CB LEU A 67 1.148 1.371 -6.762 1.00 0.00 C ATOM 995 CG LEU A 67 2.454 2.153 -7.054 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.669 1.223 -7.015 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.386 2.840 -8.409 1.00 0.00 C ATOM 0 H LEU A 67 -0.196 2.927 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.267 2.595 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.249 0.899 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.064 0.570 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 67 2.561 2.910 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.573 1.796 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.747 0.768 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.554 0.442 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.315 3.382 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.245 2.092 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.550 3.539 -8.421 1.00 0.00 H new ATOM 1009 N THR A 68 -2.171 0.989 -7.452 1.00 0.00 N ATOM 1010 CA THR A 68 -3.313 0.120 -7.302 1.00 0.00 C ATOM 1011 C THR A 68 -2.785 -1.318 -7.107 1.00 0.00 C ATOM 1012 O THR A 68 -1.822 -1.685 -7.790 1.00 0.00 O ATOM 1013 CB THR A 68 -4.186 0.235 -8.573 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.451 1.641 -8.827 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.509 -0.487 -8.395 1.00 0.00 C ATOM 0 H THR A 68 -2.046 1.352 -8.397 1.00 0.00 H new ATOM 0 HA THR A 68 -3.925 0.394 -6.442 1.00 0.00 H new ATOM 0 HB THR A 68 -3.652 -0.220 -9.407 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.230 1.927 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.102 -0.389 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.324 -1.542 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.053 -0.049 -7.558 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.451 -2.104 -6.201 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.017 -3.467 -5.696 1.00 0.00 C ATOM 1025 C ASN A 69 -1.771 -4.059 -6.372 1.00 0.00 C ATOM 1026 O ASN A 69 -1.856 -4.767 -7.389 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.153 -4.504 -5.734 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.748 -5.829 -5.076 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -2.996 -5.854 -4.112 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.216 -6.931 -5.602 1.00 0.00 N ATOM 0 H ASN A 69 -4.333 -1.804 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.741 -3.259 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.029 -4.100 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.441 -4.687 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.955 -7.835 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.842 -6.887 -6.406 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.600 -3.724 -5.838 1.00 0.00 N ATOM 1038 CA PRO A 70 0.666 -4.218 -6.302 1.00 0.00 C ATOM 1039 C PRO A 70 1.064 -5.486 -5.575 1.00 0.00 C ATOM 1040 O PRO A 70 0.277 -6.084 -4.844 1.00 0.00 O ATOM 1041 CB PRO A 70 1.639 -3.079 -5.955 1.00 0.00 C ATOM 1042 CG PRO A 70 0.873 -2.137 -5.075 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.422 -2.805 -4.732 1.00 0.00 C ATOM 0 HA PRO A 70 0.652 -4.473 -7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.521 -3.462 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.988 -2.575 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.439 -1.908 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.694 -1.192 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.370 -3.325 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.242 -2.090 -4.662 1.00 0.00 H new ATOM 1051 N SER A 71 2.251 -5.924 -5.812 1.00 0.00 N ATOM 1052 CA SER A 71 2.779 -7.045 -5.135 1.00 0.00 C ATOM 1053 C SER A 71 4.010 -6.588 -4.342 1.00 0.00 C ATOM 1054 O SER A 71 4.424 -5.421 -4.482 1.00 0.00 O ATOM 1055 CB SER A 71 3.049 -8.145 -6.147 1.00 0.00 C ATOM 1056 OG SER A 71 1.844 -8.412 -6.871 1.00 0.00 O ATOM 0 H SER A 71 2.887 -5.505 -6.491 1.00 0.00 H new ATOM 0 HA SER A 71 2.082 -7.468 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.841 -7.842 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.393 -9.047 -5.641 1.00 0.00 H new ATOM 0 HG SER A 71 2.008 -9.120 -7.529 1.00 0.00 H new ATOM 1062 N ALA A 72 4.581 -7.468 -3.536 1.00 0.00 N ATOM 1063 CA ALA A 72 5.645 -7.110 -2.603 1.00 0.00 C ATOM 1064 C ALA A 72 6.877 -6.528 -3.266 1.00 0.00 C ATOM 1065 O ALA A 72 7.396 -5.525 -2.801 1.00 0.00 O ATOM 1066 CB ALA A 72 6.012 -8.286 -1.739 1.00 0.00 C ATOM 0 H ALA A 72 4.321 -8.454 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 72 5.238 -6.313 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.807 -7.998 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.139 -8.607 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.357 -9.106 -2.368 1.00 0.00 H new ATOM 1072 N ASP A 73 7.323 -7.108 -4.358 1.00 0.00 N ATOM 1073 CA ASP A 73 8.552 -6.628 -4.997 1.00 0.00 C ATOM 1074 C ASP A 73 8.348 -5.237 -5.589 1.00 0.00 C ATOM 1075 O ASP A 73 9.232 -4.379 -5.506 1.00 0.00 O ATOM 1076 CB ASP A 73 9.040 -7.591 -6.068 1.00 0.00 C ATOM 1077 CG ASP A 73 10.410 -7.228 -6.590 1.00 0.00 C ATOM 1078 OD1 ASP A 73 11.415 -7.657 -5.982 1.00 0.00 O ATOM 1079 OD2 ASP A 73 10.513 -6.520 -7.608 1.00 0.00 O ATOM 0 H ASP A 73 6.873 -7.897 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 73 9.319 -6.571 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.066 -8.601 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.330 -7.600 -6.895 1.00 0.00 H new ATOM 1084 N GLU A 74 7.163 -5.020 -6.135 1.00 0.00 N ATOM 1085 CA GLU A 74 6.767 -3.747 -6.740 1.00 0.00 C ATOM 1086 C GLU A 74 6.752 -2.637 -5.704 1.00 0.00 C ATOM 1087 O GLU A 74 7.276 -1.544 -5.938 1.00 0.00 O ATOM 1088 CB GLU A 74 5.371 -3.859 -7.398 1.00 0.00 C ATOM 1089 CG GLU A 74 5.286 -4.736 -8.658 1.00 0.00 C ATOM 1090 CD GLU A 74 5.788 -6.142 -8.459 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.425 -6.768 -7.458 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.608 -6.613 -9.279 1.00 0.00 O ATOM 0 H GLU A 74 6.433 -5.731 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 74 7.502 -3.505 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.674 -4.252 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.031 -2.856 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.249 -4.775 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.861 -4.265 -9.456 1.00 0.00 H new ATOM 1099 N VAL A 75 6.170 -2.918 -4.550 1.00 0.00 N ATOM 1100 CA VAL A 75 6.118 -1.925 -3.496 1.00 0.00 C ATOM 1101 C VAL A 75 7.496 -1.678 -2.881 1.00 0.00 C ATOM 1102 O VAL A 75 7.825 -0.542 -2.551 1.00 0.00 O ATOM 1103 CB VAL A 75 5.033 -2.198 -2.407 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.655 -1.965 -2.968 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.086 -3.616 -1.944 1.00 0.00 C ATOM 0 H VAL A 75 5.734 -3.812 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 75 5.799 -1.005 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 75 5.235 -1.520 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.910 -2.160 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.569 -0.931 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.487 -2.635 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.320 -3.780 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.909 -4.281 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.068 -3.823 -1.519 1.00 0.00 H new ATOM 1115 N LYS A 76 8.315 -2.735 -2.784 1.00 0.00 N ATOM 1116 CA LYS A 76 9.698 -2.604 -2.299 1.00 0.00 C ATOM 1117 C LYS A 76 10.482 -1.686 -3.216 1.00 0.00 C ATOM 1118 O LYS A 76 11.218 -0.822 -2.755 1.00 0.00 O ATOM 1119 CB LYS A 76 10.408 -3.963 -2.253 1.00 0.00 C ATOM 1120 CG LYS A 76 9.896 -4.933 -1.206 1.00 0.00 C ATOM 1121 CD LYS A 76 10.533 -6.313 -1.363 1.00 0.00 C ATOM 1122 CE LYS A 76 12.033 -6.294 -1.118 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.656 -7.590 -1.459 1.00 0.00 N ATOM 0 H LYS A 76 8.046 -3.687 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 76 9.653 -2.192 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.319 -4.433 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.470 -3.792 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.111 -4.543 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.813 -5.020 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.063 -7.008 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.337 -6.688 -2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.489 -5.503 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.228 -6.060 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.569 -7.676 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.029 -8.365 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.809 -7.642 -2.486 1.00 0.00 H new ATOM 1137 N ALA A 77 10.264 -1.857 -4.517 1.00 0.00 N ATOM 1138 CA ALA A 77 10.953 -1.100 -5.554 1.00 0.00 C ATOM 1139 C ALA A 77 10.708 0.387 -5.425 1.00 0.00 C ATOM 1140 O ALA A 77 11.587 1.206 -5.720 1.00 0.00 O ATOM 1141 CB ALA A 77 10.508 -1.573 -6.921 1.00 0.00 C ATOM 0 H ALA A 77 9.595 -2.534 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 77 12.022 -1.274 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.028 -1.002 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.742 -2.631 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.433 -1.427 -7.025 1.00 0.00 H new ATOM 1147 N LYS A 78 9.527 0.745 -4.993 1.00 0.00 N ATOM 1148 CA LYS A 78 9.206 2.127 -4.836 1.00 0.00 C ATOM 1149 C LYS A 78 9.717 2.604 -3.467 1.00 0.00 C ATOM 1150 O LYS A 78 10.420 3.610 -3.368 1.00 0.00 O ATOM 1151 CB LYS A 78 7.696 2.352 -4.950 1.00 0.00 C ATOM 1152 CG LYS A 78 7.352 3.745 -5.423 1.00 0.00 C ATOM 1153 CD LYS A 78 5.879 4.048 -5.329 1.00 0.00 C ATOM 1154 CE LYS A 78 5.567 5.385 -5.974 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.324 6.501 -5.367 1.00 0.00 N ATOM 0 H LYS A 78 8.779 0.097 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 78 9.687 2.700 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.275 1.623 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.232 2.176 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.906 4.472 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.677 3.863 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.308 3.260 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.571 4.062 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.796 5.333 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.499 5.586 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.061 7.393 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.101 6.561 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.344 6.335 -5.488 1.00 0.00 H new ATOM 1169 N LEU A 79 9.406 1.819 -2.439 1.00 0.00 N ATOM 1170 CA LEU A 79 9.760 2.100 -1.044 1.00 0.00 C ATOM 1171 C LEU A 79 11.264 2.320 -0.845 1.00 0.00 C ATOM 1172 O LEU A 79 11.678 3.249 -0.121 1.00 0.00 O ATOM 1173 CB LEU A 79 9.281 0.944 -0.151 1.00 0.00 C ATOM 1174 CG LEU A 79 9.682 1.000 1.326 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.105 2.231 2.013 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.265 -0.275 2.042 1.00 0.00 C ATOM 0 H LEU A 79 8.888 0.948 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 79 9.263 3.029 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.193 0.900 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.659 0.012 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 79 10.768 1.079 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.409 2.240 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.476 3.130 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.017 2.206 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.558 -0.216 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.184 -0.393 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.754 -1.131 1.576 1.00 0.00 H new ATOM 1188 N VAL A 80 12.071 1.497 -1.487 1.00 0.00 N ATOM 1189 CA VAL A 80 13.515 1.561 -1.344 1.00 0.00 C ATOM 1190 C VAL A 80 14.067 2.934 -1.761 1.00 0.00 C ATOM 1191 O VAL A 80 14.994 3.444 -1.142 1.00 0.00 O ATOM 1192 CB VAL A 80 14.230 0.411 -2.122 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.015 0.506 -3.621 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.704 0.360 -1.793 1.00 0.00 C ATOM 0 H VAL A 80 11.746 0.767 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 80 13.731 1.424 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 80 13.772 -0.521 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.532 -0.316 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.949 0.448 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.409 1.455 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.173 -0.451 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.171 1.306 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.833 0.188 -0.724 1.00 0.00 H new ATOM 1204 N LYS A 81 13.425 3.556 -2.738 1.00 0.00 N ATOM 1205 CA LYS A 81 13.874 4.830 -3.266 1.00 0.00 C ATOM 1206 C LYS A 81 13.422 5.983 -2.365 1.00 0.00 C ATOM 1207 O LYS A 81 13.954 7.099 -2.436 1.00 0.00 O ATOM 1208 CB LYS A 81 13.347 5.045 -4.690 1.00 0.00 C ATOM 1209 CG LYS A 81 13.695 3.927 -5.669 1.00 0.00 C ATOM 1210 CD LYS A 81 13.319 4.313 -7.090 1.00 0.00 C ATOM 1211 CE LYS A 81 13.638 3.206 -8.093 1.00 0.00 C ATOM 1212 NZ LYS A 81 12.666 2.089 -8.061 1.00 0.00 N ATOM 0 H LYS A 81 12.583 3.192 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 81 14.964 4.813 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.263 5.152 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.746 5.984 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.762 3.712 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.171 3.014 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.254 4.543 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.853 5.221 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.661 3.630 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.635 2.817 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.069 1.264 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.457 1.839 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.788 2.379 -8.538 1.00 0.00 H new ATOM 1226 N ILE A 82 12.418 5.720 -1.558 1.00 0.00 N ATOM 1227 CA ILE A 82 11.857 6.719 -0.665 1.00 0.00 C ATOM 1228 C ILE A 82 12.643 6.771 0.653 1.00 0.00 C ATOM 1229 O ILE A 82 12.985 7.854 1.154 1.00 0.00 O ATOM 1230 CB ILE A 82 10.361 6.412 -0.369 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.578 6.306 -1.686 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.751 7.495 0.527 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.133 5.901 -1.515 1.00 0.00 C ATOM 0 H ILE A 82 11.965 4.808 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 82 11.929 7.688 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 82 10.300 5.460 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.616 7.268 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.073 5.582 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.704 7.260 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.295 7.535 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.819 8.461 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.652 5.849 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.083 4.924 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.620 6.637 -0.896 1.00 0.00 H new ATOM 1245 N ALA A 83 12.920 5.606 1.212 1.00 0.00 N ATOM 1246 CA ALA A 83 13.596 5.529 2.497 1.00 0.00 C ATOM 1247 C ALA A 83 15.114 5.440 2.357 1.00 0.00 C ATOM 1248 O ALA A 83 15.850 5.858 3.259 1.00 0.00 O ATOM 1249 CB ALA A 83 13.064 4.364 3.316 1.00 0.00 C ATOM 0 H ALA A 83 12.689 4.703 0.799 1.00 0.00 H new ATOM 0 HA ALA A 83 13.380 6.459 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.584 4.325 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.996 4.498 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.230 3.433 2.775 1.00 0.00 H new