USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 526 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 NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 42 SER OG : rot 5:sc= 0.277 USER MOD Set 1.2: A 47 ASN : amide:sc= 0 X(o=0.28,f=0.18) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 35:sc= 0.658 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 150:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0721 K(o=-0.072,f=-0.59) USER MOD Single : A 23 CYS SG : rot 55:sc= 1.08 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc=-0.000198 (180deg=-0.804) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 36 MET CE :methyl -124:sc= -0.148 (180deg=-0.982) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -160:sc=-0.00752 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.0972 K(o=0.097,f=-0.73) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 44:sc= 1.29 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.501 -12.207 7.796 1.00 0.00 N ATOM 2 CA GLY A 1 3.319 -11.860 7.029 1.00 0.00 C ATOM 3 C GLY A 1 3.656 -11.354 5.640 1.00 0.00 C ATOM 4 O GLY A 1 3.351 -10.213 5.297 1.00 0.00 O ATOM 0 H1 GLY A 1 4.217 -12.547 8.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.028 -12.955 7.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.106 -11.368 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.673 -12.734 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.754 -11.096 7.563 1.00 0.00 H new ATOM 8 N SER A 2 4.291 -12.205 4.840 1.00 0.00 N ATOM 9 CA SER A 2 4.676 -11.836 3.483 1.00 0.00 C ATOM 10 C SER A 2 4.105 -12.824 2.469 1.00 0.00 C ATOM 11 O SER A 2 3.486 -12.428 1.482 1.00 0.00 O ATOM 12 CB SER A 2 6.200 -11.784 3.359 1.00 0.00 C ATOM 13 OG SER A 2 6.593 -11.072 2.199 1.00 0.00 O ATOM 0 H SER A 2 4.550 -13.154 5.108 1.00 0.00 H new ATOM 0 HA SER A 2 4.268 -10.848 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.624 -11.308 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.600 -12.797 3.320 1.00 0.00 H new ATOM 0 HG SER A 2 7.571 -11.051 2.143 1.00 0.00 H new ATOM 19 N SER A 3 4.319 -14.111 2.721 1.00 0.00 N ATOM 20 CA SER A 3 3.830 -15.156 1.830 1.00 0.00 C ATOM 21 C SER A 3 2.352 -15.437 2.081 1.00 0.00 C ATOM 22 O SER A 3 2.000 -16.323 2.857 1.00 0.00 O ATOM 23 CB SER A 3 4.644 -16.438 2.018 1.00 0.00 C ATOM 24 OG SER A 3 4.251 -17.432 1.088 1.00 0.00 O ATOM 0 H SER A 3 4.828 -14.455 3.535 1.00 0.00 H new ATOM 0 HA SER A 3 3.946 -14.807 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.705 -16.220 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.510 -16.812 3.033 1.00 0.00 H new ATOM 0 HG SER A 3 4.787 -18.241 1.228 1.00 0.00 H new ATOM 30 N GLY A 4 1.490 -14.673 1.416 1.00 0.00 N ATOM 31 CA GLY A 4 0.059 -14.854 1.580 1.00 0.00 C ATOM 32 C GLY A 4 -0.618 -13.626 2.155 1.00 0.00 C ATOM 33 O GLY A 4 -1.084 -13.642 3.295 1.00 0.00 O ATOM 0 H GLY A 4 1.757 -13.933 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.387 -15.092 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.124 -15.706 2.235 1.00 0.00 H new ATOM 37 N SER A 5 -0.673 -12.558 1.366 1.00 0.00 N ATOM 38 CA SER A 5 -1.294 -11.314 1.805 1.00 0.00 C ATOM 39 C SER A 5 -2.710 -11.188 1.252 1.00 0.00 C ATOM 40 O SER A 5 -2.939 -11.373 0.057 1.00 0.00 O ATOM 41 CB SER A 5 -0.452 -10.115 1.363 1.00 0.00 C ATOM 42 OG SER A 5 0.682 -9.953 2.196 1.00 0.00 O ATOM 0 H SER A 5 -0.295 -12.529 0.419 1.00 0.00 H new ATOM 0 HA SER A 5 -1.349 -11.329 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.132 -10.253 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.059 -9.210 1.390 1.00 0.00 H new ATOM 0 HG SER A 5 1.204 -9.182 1.891 1.00 0.00 H new ATOM 48 N SER A 6 -3.656 -10.871 2.130 1.00 0.00 N ATOM 49 CA SER A 6 -5.051 -10.724 1.731 1.00 0.00 C ATOM 50 C SER A 6 -5.201 -9.636 0.671 1.00 0.00 C ATOM 51 O SER A 6 -5.677 -9.892 -0.434 1.00 0.00 O ATOM 52 CB SER A 6 -5.918 -10.391 2.946 1.00 0.00 C ATOM 53 OG SER A 6 -7.265 -10.166 2.565 1.00 0.00 O ATOM 0 H SER A 6 -3.482 -10.711 3.122 1.00 0.00 H new ATOM 0 HA SER A 6 -5.383 -11.671 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.872 -11.209 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.525 -9.505 3.445 1.00 0.00 H new ATOM 0 HG SER A 6 -7.799 -9.957 3.360 1.00 0.00 H new ATOM 59 N GLY A 7 -4.790 -8.420 1.018 1.00 0.00 N ATOM 60 CA GLY A 7 -4.886 -7.311 0.088 1.00 0.00 C ATOM 61 C GLY A 7 -4.264 -6.041 0.633 1.00 0.00 C ATOM 62 O GLY A 7 -4.892 -4.982 0.627 1.00 0.00 O ATOM 0 H GLY A 7 -4.392 -8.184 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.394 -7.581 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.935 -7.127 -0.146 1.00 0.00 H new ATOM 66 N SER A 8 -3.027 -6.146 1.106 1.00 0.00 N ATOM 67 CA SER A 8 -2.321 -4.997 1.662 1.00 0.00 C ATOM 68 C SER A 8 -2.408 -3.799 0.722 1.00 0.00 C ATOM 69 O SER A 8 -1.845 -3.811 -0.373 1.00 0.00 O ATOM 70 CB SER A 8 -0.856 -5.350 1.924 1.00 0.00 C ATOM 71 OG SER A 8 -0.205 -5.746 0.729 1.00 0.00 O ATOM 0 H SER A 8 -2.492 -7.015 1.116 1.00 0.00 H new ATOM 0 HA SER A 8 -2.797 -4.731 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.343 -4.490 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.798 -6.155 2.657 1.00 0.00 H new ATOM 0 HG SER A 8 -0.563 -5.232 -0.025 1.00 0.00 H new ATOM 77 N LYS A 9 -3.117 -2.763 1.158 1.00 0.00 N ATOM 78 CA LYS A 9 -3.278 -1.555 0.358 1.00 0.00 C ATOM 79 C LYS A 9 -2.764 -0.332 1.111 1.00 0.00 C ATOM 80 O LYS A 9 -2.302 0.634 0.503 1.00 0.00 O ATOM 81 CB LYS A 9 -4.749 -1.357 -0.014 1.00 0.00 C ATOM 82 CG LYS A 9 -5.141 -2.022 -1.323 1.00 0.00 C ATOM 83 CD LYS A 9 -6.264 -1.270 -2.016 1.00 0.00 C ATOM 84 CE LYS A 9 -7.620 -1.621 -1.421 1.00 0.00 C ATOM 85 NZ LYS A 9 -8.740 -1.054 -2.222 1.00 0.00 N ATOM 0 H LYS A 9 -3.589 -2.736 2.062 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.692 -1.672 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.374 -1.753 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.957 -0.289 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.274 -2.070 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.453 -3.049 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.093 -0.197 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.260 -1.507 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.724 -2.705 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.677 -1.245 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.647 -1.315 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.656 -0.018 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.701 -1.433 -3.190 1.00 0.00 H new ATOM 99 N VAL A 10 -2.848 -0.380 2.436 1.00 0.00 N ATOM 100 CA VAL A 10 -2.388 0.723 3.272 1.00 0.00 C ATOM 101 C VAL A 10 -0.896 0.608 3.563 1.00 0.00 C ATOM 102 O VAL A 10 -0.440 0.937 4.658 1.00 0.00 O ATOM 103 CB VAL A 10 -3.158 0.775 4.605 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.760 -0.391 5.498 1.00 0.00 C ATOM 105 CG2 VAL A 10 -2.916 2.102 5.308 1.00 0.00 C ATOM 0 H VAL A 10 -3.230 -1.171 2.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.576 1.641 2.716 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.224 0.691 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.314 -0.337 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.989 -1.330 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.691 -0.342 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.467 2.122 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.851 2.218 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.256 2.919 4.671 1.00 0.00 H new ATOM 115 N TRP A 11 -0.141 0.139 2.577 1.00 0.00 N ATOM 116 CA TRP A 11 1.301 -0.019 2.727 1.00 0.00 C ATOM 117 C TRP A 11 2.047 0.698 1.607 1.00 0.00 C ATOM 118 O TRP A 11 3.145 1.216 1.811 1.00 0.00 O ATOM 119 CB TRP A 11 1.673 -1.503 2.736 1.00 0.00 C ATOM 120 CG TRP A 11 1.397 -2.176 4.046 1.00 0.00 C ATOM 121 CD1 TRP A 11 0.284 -2.894 4.380 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.247 -2.193 5.198 1.00 0.00 C ATOM 123 NE1 TRP A 11 0.391 -3.356 5.669 1.00 0.00 N ATOM 124 CE2 TRP A 11 1.587 -2.940 6.193 1.00 0.00 C ATOM 125 CE3 TRP A 11 3.503 -1.651 5.485 1.00 0.00 C ATOM 126 CZ2 TRP A 11 2.141 -3.156 7.452 1.00 0.00 C ATOM 127 CZ3 TRP A 11 4.051 -1.866 6.735 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.371 -2.614 7.705 1.00 0.00 C ATOM 0 H TRP A 11 -0.503 -0.139 1.665 1.00 0.00 H new ATOM 0 HA TRP A 11 1.594 0.428 3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.118 -2.014 1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.732 -1.606 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.557 -3.072 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.307 -3.918 6.157 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.036 -1.075 4.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.618 -3.731 8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.020 -1.450 6.968 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.827 -2.766 8.672 1.00 0.00 H new ATOM 139 N LYS A 12 1.444 0.725 0.423 1.00 0.00 N ATOM 140 CA LYS A 12 2.050 1.380 -0.730 1.00 0.00 C ATOM 141 C LYS A 12 2.560 2.769 -0.360 1.00 0.00 C ATOM 142 O LYS A 12 3.583 3.223 -0.875 1.00 0.00 O ATOM 143 CB LYS A 12 1.039 1.484 -1.874 1.00 0.00 C ATOM 144 CG LYS A 12 0.509 0.139 -2.341 1.00 0.00 C ATOM 145 CD LYS A 12 1.447 -0.511 -3.345 1.00 0.00 C ATOM 146 CE LYS A 12 0.693 -1.415 -4.308 1.00 0.00 C ATOM 147 NZ LYS A 12 1.447 -1.629 -5.574 1.00 0.00 N ATOM 0 H LYS A 12 0.535 0.300 0.237 1.00 0.00 H new ATOM 0 HA LYS A 12 2.897 0.776 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.202 2.103 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.507 1.993 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.380 -0.520 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.474 0.271 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.973 0.261 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.203 -1.091 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.504 -2.377 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.278 -0.975 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.900 -2.250 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.605 -0.714 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.363 -2.072 -5.362 1.00 0.00 H new ATOM 161 N TYR A 13 1.843 3.439 0.535 1.00 0.00 N ATOM 162 CA TYR A 13 2.223 4.777 0.973 1.00 0.00 C ATOM 163 C TYR A 13 3.304 4.712 2.048 1.00 0.00 C ATOM 164 O TYR A 13 4.273 5.471 2.017 1.00 0.00 O ATOM 165 CB TYR A 13 1.002 5.527 1.506 1.00 0.00 C ATOM 166 CG TYR A 13 -0.207 5.437 0.602 1.00 0.00 C ATOM 167 CD1 TYR A 13 -0.378 6.326 -0.452 1.00 0.00 C ATOM 168 CD2 TYR A 13 -1.178 4.464 0.803 1.00 0.00 C ATOM 169 CE1 TYR A 13 -1.481 6.248 -1.280 1.00 0.00 C ATOM 170 CE2 TYR A 13 -2.283 4.377 -0.021 1.00 0.00 C ATOM 171 CZ TYR A 13 -2.431 5.271 -1.061 1.00 0.00 C ATOM 172 OH TYR A 13 -3.531 5.189 -1.883 1.00 0.00 O ATOM 0 H TYR A 13 0.995 3.077 0.972 1.00 0.00 H new ATOM 0 HA TYR A 13 2.624 5.313 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.742 5.130 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.263 6.576 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.364 7.091 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.067 3.764 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.599 6.948 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.027 3.613 0.148 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.101 4.447 -1.593 1.00 0.00 H new ATOM 182 N PHE A 14 3.130 3.799 2.998 1.00 0.00 N ATOM 183 CA PHE A 14 4.089 3.634 4.084 1.00 0.00 C ATOM 184 C PHE A 14 4.979 2.417 3.843 1.00 0.00 C ATOM 185 O PHE A 14 4.727 1.336 4.374 1.00 0.00 O ATOM 186 CB PHE A 14 3.359 3.489 5.420 1.00 0.00 C ATOM 187 CG PHE A 14 2.323 4.552 5.655 1.00 0.00 C ATOM 188 CD1 PHE A 14 2.674 5.766 6.223 1.00 0.00 C ATOM 189 CD2 PHE A 14 0.999 4.336 5.308 1.00 0.00 C ATOM 190 CE1 PHE A 14 1.723 6.745 6.441 1.00 0.00 C ATOM 191 CE2 PHE A 14 0.044 5.312 5.523 1.00 0.00 C ATOM 192 CZ PHE A 14 0.406 6.518 6.090 1.00 0.00 C ATOM 0 H PHE A 14 2.334 3.162 3.038 1.00 0.00 H new ATOM 0 HA PHE A 14 4.719 4.523 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.880 2.511 5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.089 3.519 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.702 5.949 6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.710 3.395 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.009 7.687 6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.985 5.131 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.339 7.282 6.259 1.00 0.00 H new ATOM 202 N GLY A 15 6.021 2.603 3.038 1.00 0.00 N ATOM 203 CA GLY A 15 6.931 1.513 2.741 1.00 0.00 C ATOM 204 C GLY A 15 8.324 1.755 3.289 1.00 0.00 C ATOM 205 O GLY A 15 8.978 2.735 2.931 1.00 0.00 O ATOM 0 H GLY A 15 6.251 3.488 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.535 0.588 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.988 1.375 1.661 1.00 0.00 H new ATOM 209 N PHE A 16 8.778 0.861 4.161 1.00 0.00 N ATOM 210 CA PHE A 16 10.101 0.984 4.762 1.00 0.00 C ATOM 211 C PHE A 16 11.158 0.309 3.892 1.00 0.00 C ATOM 212 O PHE A 16 11.202 -0.917 3.789 1.00 0.00 O ATOM 213 CB PHE A 16 10.108 0.367 6.162 1.00 0.00 C ATOM 214 CG PHE A 16 9.543 -1.024 6.207 1.00 0.00 C ATOM 215 CD1 PHE A 16 8.174 -1.229 6.265 1.00 0.00 C ATOM 216 CD2 PHE A 16 10.382 -2.127 6.192 1.00 0.00 C ATOM 217 CE1 PHE A 16 7.651 -2.508 6.306 1.00 0.00 C ATOM 218 CE2 PHE A 16 9.865 -3.408 6.233 1.00 0.00 C ATOM 219 CZ PHE A 16 8.498 -3.599 6.291 1.00 0.00 C ATOM 0 H PHE A 16 8.250 0.044 4.467 1.00 0.00 H new ATOM 0 HA PHE A 16 10.341 2.045 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.131 0.347 6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.535 1.005 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.507 -0.379 6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.452 -1.984 6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.582 -2.654 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.529 -4.259 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.092 -4.599 6.325 1.00 0.00 H new ATOM 229 N ASP A 17 12.007 1.119 3.269 1.00 0.00 N ATOM 230 CA ASP A 17 13.065 0.602 2.408 1.00 0.00 C ATOM 231 C ASP A 17 14.424 0.715 3.090 1.00 0.00 C ATOM 232 O ASP A 17 15.197 1.632 2.811 1.00 0.00 O ATOM 233 CB ASP A 17 13.083 1.356 1.078 1.00 0.00 C ATOM 234 CG ASP A 17 11.697 1.524 0.488 1.00 0.00 C ATOM 235 OD1 ASP A 17 11.025 0.499 0.251 1.00 0.00 O ATOM 236 OD2 ASP A 17 11.284 2.681 0.263 1.00 0.00 O ATOM 0 H ASP A 17 11.983 2.136 3.344 1.00 0.00 H new ATOM 0 HA ASP A 17 12.862 -0.452 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.533 2.338 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.714 0.820 0.369 1.00 0.00 H new ATOM 241 N THR A 18 14.711 -0.224 3.987 1.00 0.00 N ATOM 242 CA THR A 18 15.976 -0.229 4.711 1.00 0.00 C ATOM 243 C THR A 18 16.661 -1.587 4.611 1.00 0.00 C ATOM 244 O THR A 18 16.005 -2.627 4.643 1.00 0.00 O ATOM 245 CB THR A 18 15.774 0.124 6.197 1.00 0.00 C ATOM 246 OG1 THR A 18 17.034 0.117 6.877 1.00 0.00 O ATOM 247 CG2 THR A 18 14.826 -0.862 6.863 1.00 0.00 C ATOM 0 H THR A 18 14.084 -0.991 4.229 1.00 0.00 H new ATOM 0 HA THR A 18 16.608 0.529 4.248 1.00 0.00 H new ATOM 0 HB THR A 18 15.336 1.120 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 18 17.011 0.761 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.699 -0.593 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.859 -0.833 6.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.240 -1.868 6.794 1.00 0.00 H new ATOM 255 N ASN A 19 17.985 -1.569 4.492 1.00 0.00 N ATOM 256 CA ASN A 19 18.759 -2.801 4.388 1.00 0.00 C ATOM 257 C ASN A 19 20.216 -2.561 4.771 1.00 0.00 C ATOM 258 O ASN A 19 20.926 -1.804 4.109 1.00 0.00 O ATOM 259 CB ASN A 19 18.679 -3.360 2.966 1.00 0.00 C ATOM 260 CG ASN A 19 18.916 -2.295 1.912 1.00 0.00 C ATOM 261 OD1 ASN A 19 18.033 -1.488 1.620 1.00 0.00 O ATOM 262 ND2 ASN A 19 20.112 -2.288 1.336 1.00 0.00 N ATOM 0 H ASN A 19 18.544 -0.716 4.465 1.00 0.00 H new ATOM 0 HA ASN A 19 18.334 -3.527 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.416 -4.154 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.699 -3.810 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.329 -1.595 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.814 -2.976 1.609 1.00 0.00 H new ATOM 269 N ALA A 20 20.655 -3.211 5.844 1.00 0.00 N ATOM 270 CA ALA A 20 22.028 -3.071 6.313 1.00 0.00 C ATOM 271 C ALA A 20 22.329 -4.061 7.433 1.00 0.00 C ATOM 272 O ALA A 20 21.450 -4.803 7.870 1.00 0.00 O ATOM 273 CB ALA A 20 22.282 -1.646 6.784 1.00 0.00 C ATOM 0 H ALA A 20 20.080 -3.840 6.405 1.00 0.00 H new ATOM 0 HA ALA A 20 22.695 -3.291 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 23.311 -1.556 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 22.116 -0.955 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.601 -1.406 7.600 1.00 0.00 H new ATOM 279 N GLU A 21 23.577 -4.068 7.891 1.00 0.00 N ATOM 280 CA GLU A 21 23.993 -4.970 8.959 1.00 0.00 C ATOM 281 C GLU A 21 22.887 -5.129 9.999 1.00 0.00 C ATOM 282 O GLU A 21 22.628 -6.230 10.482 1.00 0.00 O ATOM 283 CB GLU A 21 25.267 -4.450 9.629 1.00 0.00 C ATOM 284 CG GLU A 21 25.120 -3.056 10.216 1.00 0.00 C ATOM 285 CD GLU A 21 26.425 -2.515 10.767 1.00 0.00 C ATOM 286 OE1 GLU A 21 27.296 -2.129 9.961 1.00 0.00 O ATOM 287 OE2 GLU A 21 26.573 -2.477 12.007 1.00 0.00 O ATOM 0 H GLU A 21 24.317 -3.460 7.540 1.00 0.00 H new ATOM 0 HA GLU A 21 24.196 -5.946 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.559 -5.140 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.076 -4.444 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.746 -2.380 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.375 -3.077 11.011 1.00 0.00 H new ATOM 294 N GLY A 22 22.238 -4.019 10.338 1.00 0.00 N ATOM 295 CA GLY A 22 21.169 -4.056 11.319 1.00 0.00 C ATOM 296 C GLY A 22 19.865 -4.562 10.735 1.00 0.00 C ATOM 297 O GLY A 22 19.140 -5.319 11.382 1.00 0.00 O ATOM 0 H GLY A 22 22.433 -3.096 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.464 -4.697 12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.018 -3.056 11.725 1.00 0.00 H new ATOM 301 N CYS A 23 19.564 -4.143 9.511 1.00 0.00 N ATOM 302 CA CYS A 23 18.336 -4.557 8.841 1.00 0.00 C ATOM 303 C CYS A 23 17.119 -4.284 9.718 1.00 0.00 C ATOM 304 O CYS A 23 16.330 -5.186 10.001 1.00 0.00 O ATOM 305 CB CYS A 23 18.401 -6.044 8.486 1.00 0.00 C ATOM 306 SG CYS A 23 19.250 -6.394 6.929 1.00 0.00 S ATOM 0 H CYS A 23 20.153 -3.517 8.962 1.00 0.00 H new ATOM 0 HA CYS A 23 18.238 -3.976 7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 23 18.907 -6.577 9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 23 17.386 -6.438 8.431 1.00 0.00 H new ATOM 0 HG CYS A 23 20.442 -5.876 6.958 1.00 0.00 H new ATOM 312 N ILE A 24 16.975 -3.035 10.148 1.00 0.00 N ATOM 313 CA ILE A 24 15.854 -2.643 10.994 1.00 0.00 C ATOM 314 C ILE A 24 14.524 -3.037 10.361 1.00 0.00 C ATOM 315 O ILE A 24 13.510 -3.167 11.049 1.00 0.00 O ATOM 316 CB ILE A 24 15.854 -1.127 11.262 1.00 0.00 C ATOM 317 CG1 ILE A 24 14.745 -0.762 12.251 1.00 0.00 C ATOM 318 CG2 ILE A 24 15.683 -0.359 9.960 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.412 -0.488 11.591 1.00 0.00 C ATOM 0 H ILE A 24 17.620 -2.277 9.925 1.00 0.00 H new ATOM 0 HA ILE A 24 15.973 -3.170 11.941 1.00 0.00 H new ATOM 0 HB ILE A 24 16.813 -0.851 11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 24 14.626 -1.575 12.967 1.00 0.00 H new ATOM 0 HG13 ILE A 24 15.049 0.119 12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 24 15.685 0.711 10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.504 -0.600 9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 24 14.737 -0.637 9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.674 -0.236 12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.515 0.345 10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.085 -1.375 11.049 1.00 0.00 H new ATOM 331 N LEU A 25 14.534 -3.227 9.046 1.00 0.00 N ATOM 332 CA LEU A 25 13.328 -3.608 8.319 1.00 0.00 C ATOM 333 C LEU A 25 12.551 -4.679 9.077 1.00 0.00 C ATOM 334 O LEU A 25 11.320 -4.692 9.063 1.00 0.00 O ATOM 335 CB LEU A 25 13.690 -4.116 6.922 1.00 0.00 C ATOM 336 CG LEU A 25 13.975 -5.614 6.806 1.00 0.00 C ATOM 337 CD1 LEU A 25 12.683 -6.387 6.586 1.00 0.00 C ATOM 338 CD2 LEU A 25 14.959 -5.883 5.677 1.00 0.00 C ATOM 0 H LEU A 25 15.364 -3.123 8.462 1.00 0.00 H new ATOM 0 HA LEU A 25 12.696 -2.725 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.873 -3.868 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.568 -3.571 6.575 1.00 0.00 H new ATOM 0 HG LEU A 25 14.423 -5.954 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.905 -7.451 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.011 -6.219 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.207 -6.045 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.150 -6.954 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.539 -5.529 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.894 -5.359 5.877 1.00 0.00 H new ATOM 350 N GLN A 26 13.278 -5.574 9.737 1.00 0.00 N ATOM 351 CA GLN A 26 12.656 -6.648 10.502 1.00 0.00 C ATOM 352 C GLN A 26 11.829 -6.088 11.655 1.00 0.00 C ATOM 353 O GLN A 26 10.703 -6.526 11.894 1.00 0.00 O ATOM 354 CB GLN A 26 13.722 -7.603 11.041 1.00 0.00 C ATOM 355 CG GLN A 26 14.655 -6.962 12.056 1.00 0.00 C ATOM 356 CD GLN A 26 15.990 -7.675 12.153 1.00 0.00 C ATOM 357 OE1 GLN A 26 16.114 -8.840 11.775 1.00 0.00 O ATOM 358 NE2 GLN A 26 16.999 -6.976 12.661 1.00 0.00 N ATOM 0 H GLN A 26 14.298 -5.577 9.758 1.00 0.00 H new ATOM 0 HA GLN A 26 11.991 -7.196 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.231 -8.460 11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.312 -7.984 10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.823 -5.920 11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.176 -6.961 13.035 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.852 -6.013 12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.921 -7.403 12.750 1.00 0.00 H new ATOM 367 N TRP A 27 12.394 -5.118 12.365 1.00 0.00 N ATOM 368 CA TRP A 27 11.708 -4.498 13.493 1.00 0.00 C ATOM 369 C TRP A 27 10.393 -3.866 13.050 1.00 0.00 C ATOM 370 O TRP A 27 10.098 -3.794 11.857 1.00 0.00 O ATOM 371 CB TRP A 27 12.603 -3.442 14.142 1.00 0.00 C ATOM 372 CG TRP A 27 13.660 -4.025 15.032 1.00 0.00 C ATOM 373 CD1 TRP A 27 14.946 -4.326 14.688 1.00 0.00 C ATOM 374 CD2 TRP A 27 13.518 -4.378 16.412 1.00 0.00 C ATOM 375 NE1 TRP A 27 15.614 -4.845 15.771 1.00 0.00 N ATOM 376 CE2 TRP A 27 14.760 -4.886 16.842 1.00 0.00 C ATOM 377 CE3 TRP A 27 12.465 -4.312 17.328 1.00 0.00 C ATOM 378 CZ2 TRP A 27 14.973 -5.326 18.145 1.00 0.00 C ATOM 379 CZ3 TRP A 27 12.678 -4.749 18.621 1.00 0.00 C ATOM 380 CH2 TRP A 27 13.924 -5.251 19.021 1.00 0.00 C ATOM 0 H TRP A 27 13.325 -4.744 12.180 1.00 0.00 H new ATOM 0 HA TRP A 27 11.487 -5.276 14.224 1.00 0.00 H new ATOM 0 HB2 TRP A 27 13.081 -2.851 13.361 1.00 0.00 H new ATOM 0 HB3 TRP A 27 11.984 -2.759 14.724 1.00 0.00 H new ATOM 0 HD1 TRP A 27 15.376 -4.178 13.708 1.00 0.00 H new ATOM 0 HE1 TRP A 27 16.587 -5.150 15.777 1.00 0.00 H new ATOM 0 HE3 TRP A 27 11.501 -3.926 17.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 15.933 -5.713 18.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.870 -4.703 19.336 1.00 0.00 H new ATOM 0 HH2 TRP A 27 14.059 -5.585 20.039 1.00 0.00 H new ATOM 391 N LYS A 28 9.607 -3.407 14.018 1.00 0.00 N ATOM 392 CA LYS A 28 8.324 -2.778 13.728 1.00 0.00 C ATOM 393 C LYS A 28 8.475 -1.265 13.603 1.00 0.00 C ATOM 394 O LYS A 28 8.119 -0.518 14.514 1.00 0.00 O ATOM 395 CB LYS A 28 7.310 -3.111 14.825 1.00 0.00 C ATOM 396 CG LYS A 28 6.672 -4.480 14.669 1.00 0.00 C ATOM 397 CD LYS A 28 5.521 -4.673 15.641 1.00 0.00 C ATOM 398 CE LYS A 28 6.018 -5.076 17.021 1.00 0.00 C ATOM 399 NZ LYS A 28 6.286 -3.891 17.882 1.00 0.00 N ATOM 0 H LYS A 28 9.836 -3.459 15.011 1.00 0.00 H new ATOM 0 HA LYS A 28 7.963 -3.169 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.806 -3.059 15.794 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.527 -2.353 14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.311 -4.600 13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.422 -5.253 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.947 -3.749 15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.845 -5.438 15.259 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.277 -5.714 17.502 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.929 -5.666 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.233 -3.975 18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.239 -3.026 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.574 -3.843 18.638 1.00 0.00 H new ATOM 413 N LYS A 29 9.004 -0.820 12.468 1.00 0.00 N ATOM 414 CA LYS A 29 9.200 0.604 12.221 1.00 0.00 C ATOM 415 C LYS A 29 8.678 0.994 10.842 1.00 0.00 C ATOM 416 O LYS A 29 9.006 0.356 9.841 1.00 0.00 O ATOM 417 CB LYS A 29 10.683 0.963 12.338 1.00 0.00 C ATOM 418 CG LYS A 29 10.937 2.451 12.506 1.00 0.00 C ATOM 419 CD LYS A 29 10.704 2.897 13.940 1.00 0.00 C ATOM 420 CE LYS A 29 10.830 4.407 14.081 1.00 0.00 C ATOM 421 NZ LYS A 29 10.143 4.909 15.303 1.00 0.00 N ATOM 0 H LYS A 29 9.305 -1.425 11.704 1.00 0.00 H new ATOM 0 HA LYS A 29 8.638 1.159 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.111 0.432 13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.205 0.612 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.962 2.682 12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.282 3.011 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.712 2.582 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.424 2.408 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.884 4.682 14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.406 4.891 13.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.252 5.942 15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.132 4.669 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.565 4.467 16.145 1.00 0.00 H new ATOM 435 N ILE A 30 7.866 2.044 10.797 1.00 0.00 N ATOM 436 CA ILE A 30 7.302 2.520 9.540 1.00 0.00 C ATOM 437 C ILE A 30 7.511 4.022 9.377 1.00 0.00 C ATOM 438 O ILE A 30 7.510 4.769 10.356 1.00 0.00 O ATOM 439 CB ILE A 30 5.796 2.210 9.446 1.00 0.00 C ATOM 440 CG1 ILE A 30 5.537 0.733 9.752 1.00 0.00 C ATOM 441 CG2 ILE A 30 5.267 2.571 8.066 1.00 0.00 C ATOM 442 CD1 ILE A 30 4.106 0.308 9.510 1.00 0.00 C ATOM 0 H ILE A 30 7.584 2.582 11.616 1.00 0.00 H new ATOM 0 HA ILE A 30 7.824 1.994 8.741 1.00 0.00 H new ATOM 0 HB ILE A 30 5.269 2.813 10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.198 0.122 9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.795 0.535 10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.202 2.346 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.423 3.634 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.797 1.991 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.996 -0.750 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.440 0.894 10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.849 0.474 8.464 1.00 0.00 H new ATOM 454 N TYR A 31 7.689 4.457 8.135 1.00 0.00 N ATOM 455 CA TYR A 31 7.900 5.870 7.843 1.00 0.00 C ATOM 456 C TYR A 31 7.251 6.255 6.517 1.00 0.00 C ATOM 457 O TYR A 31 7.351 5.527 5.529 1.00 0.00 O ATOM 458 CB TYR A 31 9.396 6.186 7.802 1.00 0.00 C ATOM 459 CG TYR A 31 10.059 5.812 6.496 1.00 0.00 C ATOM 460 CD1 TYR A 31 9.888 6.593 5.359 1.00 0.00 C ATOM 461 CD2 TYR A 31 10.855 4.678 6.397 1.00 0.00 C ATOM 462 CE1 TYR A 31 10.490 6.255 4.163 1.00 0.00 C ATOM 463 CE2 TYR A 31 11.462 4.333 5.206 1.00 0.00 C ATOM 464 CZ TYR A 31 11.277 5.124 4.091 1.00 0.00 C ATOM 465 OH TYR A 31 11.880 4.783 2.902 1.00 0.00 O ATOM 0 H TYR A 31 7.691 3.852 7.314 1.00 0.00 H new ATOM 0 HA TYR A 31 7.434 6.453 8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.538 7.252 7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.893 5.658 8.616 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.274 7.480 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.002 4.055 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.346 6.873 3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.079 3.448 5.147 1.00 0.00 H new ATOM 0 HH TYR A 31 12.578 4.116 3.069 1.00 0.00 H new ATOM 475 N CYS A 32 6.587 7.406 6.503 1.00 0.00 N ATOM 476 CA CYS A 32 5.921 7.891 5.300 1.00 0.00 C ATOM 477 C CYS A 32 6.928 8.499 4.329 1.00 0.00 C ATOM 478 O CYS A 32 7.413 9.611 4.537 1.00 0.00 O ATOM 479 CB CYS A 32 4.856 8.928 5.664 1.00 0.00 C ATOM 480 SG CYS A 32 3.705 9.319 4.308 1.00 0.00 S ATOM 0 H CYS A 32 6.496 8.021 7.312 1.00 0.00 H new ATOM 0 HA CYS A 32 5.440 7.042 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.285 8.562 6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.351 9.846 5.982 1.00 0.00 H new ATOM 485 N ARG A 33 7.237 7.762 3.267 1.00 0.00 N ATOM 486 CA ARG A 33 8.187 8.227 2.264 1.00 0.00 C ATOM 487 C ARG A 33 7.678 9.493 1.580 1.00 0.00 C ATOM 488 O ARG A 33 8.452 10.401 1.278 1.00 0.00 O ATOM 489 CB ARG A 33 8.436 7.136 1.221 1.00 0.00 C ATOM 490 CG ARG A 33 7.193 6.746 0.439 1.00 0.00 C ATOM 491 CD ARG A 33 7.529 5.808 -0.710 1.00 0.00 C ATOM 492 NE ARG A 33 8.006 4.512 -0.236 1.00 0.00 N ATOM 493 CZ ARG A 33 7.927 3.394 -0.950 1.00 0.00 C ATOM 494 NH1 ARG A 33 7.392 3.414 -2.163 1.00 0.00 N ATOM 495 NH2 ARG A 33 8.383 2.252 -0.450 1.00 0.00 N ATOM 0 H ARG A 33 6.843 6.840 3.079 1.00 0.00 H new ATOM 0 HA ARG A 33 9.125 8.458 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.201 7.479 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.833 6.252 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.478 6.264 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.711 7.642 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.645 5.664 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.291 6.266 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 33 8.423 4.462 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.040 4.289 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.333 2.554 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.794 2.232 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.322 1.394 -0.999 1.00 0.00 H new ATOM 509 N ILE A 34 6.372 9.544 1.337 1.00 0.00 N ATOM 510 CA ILE A 34 5.761 10.697 0.689 1.00 0.00 C ATOM 511 C ILE A 34 6.259 12.001 1.304 1.00 0.00 C ATOM 512 O ILE A 34 6.791 12.866 0.607 1.00 0.00 O ATOM 513 CB ILE A 34 4.225 10.650 0.788 1.00 0.00 C ATOM 514 CG1 ILE A 34 3.691 9.361 0.160 1.00 0.00 C ATOM 515 CG2 ILE A 34 3.613 11.868 0.113 1.00 0.00 C ATOM 516 CD1 ILE A 34 2.324 8.961 0.670 1.00 0.00 C ATOM 0 H ILE A 34 5.718 8.800 1.579 1.00 0.00 H new ATOM 0 HA ILE A 34 6.051 10.659 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 34 3.943 10.663 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.644 9.486 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.394 8.552 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.527 11.820 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.973 12.774 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.900 11.884 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.009 8.039 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.369 8.804 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.607 9.752 0.449 1.00 0.00 H new ATOM 528 N CYS A 35 6.084 12.136 2.614 1.00 0.00 N ATOM 529 CA CYS A 35 6.516 13.333 3.325 1.00 0.00 C ATOM 530 C CYS A 35 7.748 13.044 4.178 1.00 0.00 C ATOM 531 O CYS A 35 7.994 13.716 5.179 1.00 0.00 O ATOM 532 CB CYS A 35 5.385 13.864 4.207 1.00 0.00 C ATOM 533 SG CYS A 35 4.824 12.692 5.484 1.00 0.00 S ATOM 0 H CYS A 35 5.645 11.430 3.205 1.00 0.00 H new ATOM 0 HA CYS A 35 6.777 14.090 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.718 14.782 4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.538 14.127 3.574 1.00 0.00 H new ATOM 538 N MET A 36 8.519 12.040 3.774 1.00 0.00 N ATOM 539 CA MET A 36 9.726 11.663 4.500 1.00 0.00 C ATOM 540 C MET A 36 9.523 11.809 6.005 1.00 0.00 C ATOM 541 O MET A 36 10.383 12.338 6.708 1.00 0.00 O ATOM 542 CB MET A 36 10.908 12.522 4.048 1.00 0.00 C ATOM 543 CG MET A 36 12.249 11.813 4.150 1.00 0.00 C ATOM 544 SD MET A 36 12.679 10.919 2.644 1.00 0.00 S ATOM 545 CE MET A 36 12.152 9.262 3.071 1.00 0.00 C ATOM 0 H MET A 36 8.329 11.473 2.948 1.00 0.00 H new ATOM 0 HA MET A 36 9.941 10.617 4.280 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.748 12.832 3.015 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.939 13.429 4.652 1.00 0.00 H new ATOM 0 HG2 MET A 36 13.027 12.545 4.368 1.00 0.00 H new ATOM 0 HG3 MET A 36 12.224 11.116 4.987 1.00 0.00 H new ATOM 0 HE1 MET A 36 12.990 8.574 2.961 1.00 0.00 H new ATOM 0 HE2 MET A 36 11.803 9.246 4.103 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.342 8.956 2.409 1.00 0.00 H new ATOM 555 N ALA A 37 8.380 11.336 6.492 1.00 0.00 N ATOM 556 CA ALA A 37 8.066 11.413 7.913 1.00 0.00 C ATOM 557 C ALA A 37 8.180 10.044 8.575 1.00 0.00 C ATOM 558 O ALA A 37 8.246 9.020 7.896 1.00 0.00 O ATOM 559 CB ALA A 37 6.670 11.984 8.115 1.00 0.00 C ATOM 0 H ALA A 37 7.657 10.896 5.923 1.00 0.00 H new ATOM 0 HA ALA A 37 8.790 12.077 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.449 12.036 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.620 12.984 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.939 11.341 7.624 1.00 0.00 H new ATOM 565 N GLN A 38 8.203 10.035 9.904 1.00 0.00 N ATOM 566 CA GLN A 38 8.311 8.791 10.657 1.00 0.00 C ATOM 567 C GLN A 38 7.025 8.507 11.427 1.00 0.00 C ATOM 568 O GLN A 38 6.582 9.323 12.236 1.00 0.00 O ATOM 569 CB GLN A 38 9.494 8.857 11.625 1.00 0.00 C ATOM 570 CG GLN A 38 10.808 8.399 11.011 1.00 0.00 C ATOM 571 CD GLN A 38 12.015 9.007 11.697 1.00 0.00 C ATOM 572 OE1 GLN A 38 12.155 8.930 12.918 1.00 0.00 O ATOM 573 NE2 GLN A 38 12.897 9.616 10.913 1.00 0.00 N ATOM 0 H GLN A 38 8.148 10.874 10.481 1.00 0.00 H new ATOM 0 HA GLN A 38 8.475 7.980 9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.606 9.882 11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.275 8.240 12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.872 7.312 11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.823 8.665 9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.742 9.656 9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.730 10.043 11.318 1.00 0.00 H new ATOM 582 N ILE A 39 6.431 7.347 11.169 1.00 0.00 N ATOM 583 CA ILE A 39 5.197 6.956 11.838 1.00 0.00 C ATOM 584 C ILE A 39 5.306 5.550 12.417 1.00 0.00 C ATOM 585 O ILE A 39 5.417 4.571 11.679 1.00 0.00 O ATOM 586 CB ILE A 39 3.994 7.012 10.878 1.00 0.00 C ATOM 587 CG1 ILE A 39 3.819 8.428 10.327 1.00 0.00 C ATOM 588 CG2 ILE A 39 2.728 6.554 11.587 1.00 0.00 C ATOM 589 CD1 ILE A 39 2.719 8.543 9.295 1.00 0.00 C ATOM 0 H ILE A 39 6.784 6.662 10.501 1.00 0.00 H new ATOM 0 HA ILE A 39 5.039 7.668 12.648 1.00 0.00 H new ATOM 0 HB ILE A 39 4.183 6.338 10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.604 9.106 11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.759 8.755 9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.887 6.599 10.895 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.857 5.529 11.935 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.532 7.205 12.439 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.652 9.574 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.942 7.890 8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.769 8.247 9.741 1.00 0.00 H new ATOM 601 N ALA A 40 5.274 5.456 13.742 1.00 0.00 N ATOM 602 CA ALA A 40 5.366 4.169 14.420 1.00 0.00 C ATOM 603 C ALA A 40 4.137 3.312 14.139 1.00 0.00 C ATOM 604 O ALA A 40 3.032 3.829 13.973 1.00 0.00 O ATOM 605 CB ALA A 40 5.539 4.373 15.918 1.00 0.00 C ATOM 0 H ALA A 40 5.185 6.257 14.368 1.00 0.00 H new ATOM 0 HA ALA A 40 6.239 3.643 14.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.606 3.404 16.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.451 4.940 16.105 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.684 4.922 16.312 1.00 0.00 H new ATOM 611 N TYR A 41 4.336 2.000 14.086 1.00 0.00 N ATOM 612 CA TYR A 41 3.244 1.071 13.822 1.00 0.00 C ATOM 613 C TYR A 41 2.522 0.697 15.113 1.00 0.00 C ATOM 614 O TYR A 41 3.149 0.500 16.154 1.00 0.00 O ATOM 615 CB TYR A 41 3.773 -0.190 13.137 1.00 0.00 C ATOM 616 CG TYR A 41 2.683 -1.103 12.622 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.581 -0.590 11.949 1.00 0.00 C ATOM 618 CD2 TYR A 41 2.754 -2.478 12.810 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.582 -1.420 11.478 1.00 0.00 C ATOM 620 CE2 TYR A 41 1.761 -3.315 12.341 1.00 0.00 C ATOM 621 CZ TYR A 41 0.677 -2.782 11.675 1.00 0.00 C ATOM 622 OH TYR A 41 -0.316 -3.612 11.208 1.00 0.00 O ATOM 0 H TYR A 41 5.244 1.556 14.222 1.00 0.00 H new ATOM 0 HA TYR A 41 2.533 1.565 13.160 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.415 0.101 12.305 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.395 -0.742 13.842 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.504 0.476 11.791 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.600 -2.899 13.332 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.269 -1.005 10.958 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.833 -4.382 12.495 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.096 -4.541 11.428 1.00 0.00 H new ATOM 632 N SER A 42 1.198 0.601 15.037 1.00 0.00 N ATOM 633 CA SER A 42 0.389 0.254 16.199 1.00 0.00 C ATOM 634 C SER A 42 -0.267 -1.111 16.016 1.00 0.00 C ATOM 635 O SER A 42 -0.069 -1.777 15.001 1.00 0.00 O ATOM 636 CB SER A 42 -0.682 1.319 16.438 1.00 0.00 C ATOM 637 OG SER A 42 -1.588 1.384 15.350 1.00 0.00 O ATOM 0 H SER A 42 0.663 0.759 14.183 1.00 0.00 H new ATOM 0 HA SER A 42 1.046 0.209 17.068 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.226 1.093 17.355 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.208 2.290 16.579 1.00 0.00 H new ATOM 0 HG SER A 42 -1.378 0.675 14.707 1.00 0.00 H new ATOM 643 N GLY A 43 -1.051 -1.522 17.009 1.00 0.00 N ATOM 644 CA GLY A 43 -1.725 -2.806 16.939 1.00 0.00 C ATOM 645 C GLY A 43 -2.244 -3.113 15.549 1.00 0.00 C ATOM 646 O GLY A 43 -2.157 -4.248 15.083 1.00 0.00 O ATOM 0 H GLY A 43 -1.231 -0.989 17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.036 -3.592 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.556 -2.816 17.644 1.00 0.00 H new ATOM 650 N ASN A 44 -2.789 -2.099 14.885 1.00 0.00 N ATOM 651 CA ASN A 44 -3.327 -2.267 13.539 1.00 0.00 C ATOM 652 C ASN A 44 -2.956 -1.081 12.653 1.00 0.00 C ATOM 653 O ASN A 44 -2.278 -0.151 13.092 1.00 0.00 O ATOM 654 CB ASN A 44 -4.848 -2.422 13.592 1.00 0.00 C ATOM 655 CG ASN A 44 -5.272 -3.826 13.977 1.00 0.00 C ATOM 656 OD1 ASN A 44 -5.420 -4.699 13.121 1.00 0.00 O ATOM 657 ND2 ASN A 44 -5.471 -4.050 15.271 1.00 0.00 N ATOM 0 H ASN A 44 -2.870 -1.152 15.256 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.891 -3.169 13.110 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.258 -1.712 14.310 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.270 -2.172 12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.758 -4.975 15.590 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.336 -3.297 15.946 1.00 0.00 H new ATOM 664 N THR A 45 -3.405 -1.121 11.403 1.00 0.00 N ATOM 665 CA THR A 45 -3.121 -0.052 10.454 1.00 0.00 C ATOM 666 C THR A 45 -4.154 1.065 10.558 1.00 0.00 C ATOM 667 O THR A 45 -4.561 1.643 9.551 1.00 0.00 O ATOM 668 CB THR A 45 -3.095 -0.577 9.006 1.00 0.00 C ATOM 669 OG1 THR A 45 -4.403 -1.011 8.619 1.00 0.00 O ATOM 670 CG2 THR A 45 -2.111 -1.729 8.867 1.00 0.00 C ATOM 0 H THR A 45 -3.967 -1.883 11.024 1.00 0.00 H new ATOM 0 HA THR A 45 -2.137 0.341 10.708 1.00 0.00 H new ATOM 0 HB THR A 45 -2.775 0.235 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.333 -1.618 7.853 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.109 -2.084 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.111 -1.388 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.407 -2.542 9.530 1.00 0.00 H new ATOM 678 N SER A 46 -4.573 1.364 11.784 1.00 0.00 N ATOM 679 CA SER A 46 -5.561 2.411 12.019 1.00 0.00 C ATOM 680 C SER A 46 -4.929 3.793 11.893 1.00 0.00 C ATOM 681 O SER A 46 -5.513 4.703 11.305 1.00 0.00 O ATOM 682 CB SER A 46 -6.186 2.248 13.406 1.00 0.00 C ATOM 683 OG SER A 46 -7.122 1.185 13.422 1.00 0.00 O ATOM 0 H SER A 46 -4.244 0.897 12.629 1.00 0.00 H new ATOM 0 HA SER A 46 -6.341 2.317 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.404 2.059 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.679 3.175 13.697 1.00 0.00 H new ATOM 0 HG SER A 46 -7.506 1.101 14.320 1.00 0.00 H new ATOM 689 N ASN A 47 -3.731 3.943 12.448 1.00 0.00 N ATOM 690 CA ASN A 47 -3.018 5.214 12.399 1.00 0.00 C ATOM 691 C ASN A 47 -2.490 5.487 10.994 1.00 0.00 C ATOM 692 O ASN A 47 -2.468 6.631 10.538 1.00 0.00 O ATOM 693 CB ASN A 47 -1.861 5.213 13.400 1.00 0.00 C ATOM 694 CG ASN A 47 -2.329 5.433 14.825 1.00 0.00 C ATOM 695 OD1 ASN A 47 -2.564 4.479 15.568 1.00 0.00 O ATOM 696 ND2 ASN A 47 -2.469 6.695 15.214 1.00 0.00 N ATOM 0 H ASN A 47 -3.233 3.199 12.937 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.718 6.006 12.665 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.331 4.263 13.337 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.150 5.993 13.130 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.782 6.905 16.162 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.263 7.455 14.565 1.00 0.00 H new ATOM 703 N LEU A 48 -2.065 4.429 10.312 1.00 0.00 N ATOM 704 CA LEU A 48 -1.537 4.554 8.957 1.00 0.00 C ATOM 705 C LEU A 48 -2.427 5.454 8.107 1.00 0.00 C ATOM 706 O LEU A 48 -1.948 6.383 7.457 1.00 0.00 O ATOM 707 CB LEU A 48 -1.417 3.174 8.307 1.00 0.00 C ATOM 708 CG LEU A 48 -0.085 2.451 8.508 1.00 0.00 C ATOM 709 CD1 LEU A 48 1.073 3.332 8.067 1.00 0.00 C ATOM 710 CD2 LEU A 48 0.082 2.037 9.963 1.00 0.00 C ATOM 0 H LEU A 48 -2.075 3.476 10.674 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.548 5.007 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.214 2.540 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.591 3.282 7.236 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.085 1.552 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.013 2.800 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.961 3.579 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.077 4.249 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.035 1.524 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.061 2.923 10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.730 1.368 10.246 1.00 0.00 H new ATOM 722 N SER A 49 -3.727 5.173 8.117 1.00 0.00 N ATOM 723 CA SER A 49 -4.684 5.957 7.345 1.00 0.00 C ATOM 724 C SER A 49 -4.876 7.339 7.960 1.00 0.00 C ATOM 725 O SER A 49 -4.755 8.357 7.278 1.00 0.00 O ATOM 726 CB SER A 49 -6.028 5.229 7.269 1.00 0.00 C ATOM 727 OG SER A 49 -6.491 4.877 8.561 1.00 0.00 O ATOM 0 H SER A 49 -4.141 4.409 8.651 1.00 0.00 H new ATOM 0 HA SER A 49 -4.287 6.079 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.763 5.866 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.925 4.331 6.659 1.00 0.00 H new ATOM 0 HG SER A 49 -7.352 4.415 8.485 1.00 0.00 H new ATOM 733 N TYR A 50 -5.176 7.368 9.254 1.00 0.00 N ATOM 734 CA TYR A 50 -5.388 8.625 9.962 1.00 0.00 C ATOM 735 C TYR A 50 -4.333 9.655 9.570 1.00 0.00 C ATOM 736 O TYR A 50 -4.658 10.788 9.212 1.00 0.00 O ATOM 737 CB TYR A 50 -5.355 8.394 11.474 1.00 0.00 C ATOM 738 CG TYR A 50 -4.866 9.591 12.258 1.00 0.00 C ATOM 739 CD1 TYR A 50 -5.682 10.697 12.457 1.00 0.00 C ATOM 740 CD2 TYR A 50 -3.587 9.614 12.802 1.00 0.00 C ATOM 741 CE1 TYR A 50 -5.239 11.793 13.172 1.00 0.00 C ATOM 742 CE2 TYR A 50 -3.136 10.705 13.519 1.00 0.00 C ATOM 743 CZ TYR A 50 -3.966 11.792 13.701 1.00 0.00 C ATOM 744 OH TYR A 50 -3.521 12.881 14.416 1.00 0.00 O ATOM 0 H TYR A 50 -5.278 6.535 9.834 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.368 9.011 9.681 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.356 8.131 11.815 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.711 7.541 11.689 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.681 10.700 12.046 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.935 8.765 12.662 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.886 12.646 13.316 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.139 10.707 13.935 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.604 12.720 14.721 1.00 0.00 H new ATOM 754 N HIS A 51 -3.068 9.253 9.640 1.00 0.00 N ATOM 755 CA HIS A 51 -1.964 10.140 9.291 1.00 0.00 C ATOM 756 C HIS A 51 -2.268 10.908 8.008 1.00 0.00 C ATOM 757 O HIS A 51 -2.113 12.129 7.952 1.00 0.00 O ATOM 758 CB HIS A 51 -0.672 9.340 9.126 1.00 0.00 C ATOM 759 CG HIS A 51 0.315 9.980 8.199 1.00 0.00 C ATOM 760 ND1 HIS A 51 1.294 10.852 8.628 1.00 0.00 N ATOM 761 CD2 HIS A 51 0.472 9.870 6.859 1.00 0.00 C ATOM 762 CE1 HIS A 51 2.009 11.252 7.591 1.00 0.00 C ATOM 763 NE2 HIS A 51 1.531 10.670 6.506 1.00 0.00 N ATOM 0 H HIS A 51 -2.782 8.319 9.935 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.837 10.858 10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.208 9.209 10.104 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.916 8.345 8.753 1.00 0.00 H new ATOM 0 HD1 HIS A 51 1.443 11.143 9.594 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.125 9.266 6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.842 11.938 7.625 1.00 0.00 H new ATOM 771 N LEU A 52 -2.701 10.186 6.981 1.00 0.00 N ATOM 772 CA LEU A 52 -3.027 10.799 5.698 1.00 0.00 C ATOM 773 C LEU A 52 -4.280 11.661 5.809 1.00 0.00 C ATOM 774 O LEU A 52 -4.298 12.807 5.360 1.00 0.00 O ATOM 775 CB LEU A 52 -3.228 9.721 4.632 1.00 0.00 C ATOM 776 CG LEU A 52 -2.214 8.577 4.635 1.00 0.00 C ATOM 777 CD1 LEU A 52 -2.868 7.283 4.177 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.023 8.917 3.750 1.00 0.00 C ATOM 0 H LEU A 52 -2.835 9.175 7.011 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.194 11.438 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.224 9.297 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.204 10.198 3.652 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.855 8.438 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.131 6.480 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.687 7.031 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.255 7.409 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.312 8.091 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.365 9.084 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.539 9.820 4.123 1.00 0.00 H new ATOM 790 N GLU A 53 -5.325 11.102 6.411 1.00 0.00 N ATOM 791 CA GLU A 53 -6.582 11.821 6.582 1.00 0.00 C ATOM 792 C GLU A 53 -6.329 13.287 6.922 1.00 0.00 C ATOM 793 O GLU A 53 -7.107 14.166 6.551 1.00 0.00 O ATOM 794 CB GLU A 53 -7.423 11.169 7.681 1.00 0.00 C ATOM 795 CG GLU A 53 -8.855 11.675 7.734 1.00 0.00 C ATOM 796 CD GLU A 53 -9.825 10.630 8.250 1.00 0.00 C ATOM 797 OE1 GLU A 53 -9.448 9.876 9.171 1.00 0.00 O ATOM 798 OE2 GLU A 53 -10.960 10.567 7.733 1.00 0.00 O ATOM 0 H GLU A 53 -5.326 10.154 6.788 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.129 11.774 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.434 10.090 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.947 11.348 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.901 12.556 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.162 11.989 6.737 1.00 0.00 H new ATOM 805 N LYS A 54 -5.235 13.543 7.630 1.00 0.00 N ATOM 806 CA LYS A 54 -4.876 14.901 8.021 1.00 0.00 C ATOM 807 C LYS A 54 -3.711 15.419 7.184 1.00 0.00 C ATOM 808 O LYS A 54 -3.721 16.561 6.728 1.00 0.00 O ATOM 809 CB LYS A 54 -4.510 14.947 9.507 1.00 0.00 C ATOM 810 CG LYS A 54 -5.713 15.075 10.425 1.00 0.00 C ATOM 811 CD LYS A 54 -6.673 13.909 10.253 1.00 0.00 C ATOM 812 CE LYS A 54 -7.669 13.833 11.401 1.00 0.00 C ATOM 813 NZ LYS A 54 -8.641 14.961 11.367 1.00 0.00 N ATOM 0 H LYS A 54 -4.581 12.827 7.945 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.740 15.542 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.961 14.042 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.839 15.788 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.378 15.122 11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.233 16.010 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.210 14.014 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.110 12.978 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.208 12.887 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.132 13.845 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.302 14.874 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.129 15.863 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.172 14.935 10.473 1.00 0.00 H new ATOM 827 N ASN A 55 -2.708 14.569 6.985 1.00 0.00 N ATOM 828 CA ASN A 55 -1.535 14.941 6.201 1.00 0.00 C ATOM 829 C ASN A 55 -1.883 15.046 4.719 1.00 0.00 C ATOM 830 O ASN A 55 -2.022 16.144 4.179 1.00 0.00 O ATOM 831 CB ASN A 55 -0.416 13.918 6.403 1.00 0.00 C ATOM 832 CG ASN A 55 0.284 14.083 7.739 1.00 0.00 C ATOM 833 OD1 ASN A 55 1.468 14.414 7.795 1.00 0.00 O ATOM 834 ND2 ASN A 55 -0.448 13.851 8.822 1.00 0.00 N ATOM 0 H ASN A 55 -2.684 13.619 7.355 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.192 15.917 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.830 12.912 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.313 14.018 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.032 13.945 9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.426 13.579 8.728 1.00 0.00 H new ATOM 841 N HIS A 56 -2.021 13.896 4.067 1.00 0.00 N ATOM 842 CA HIS A 56 -2.354 13.858 2.647 1.00 0.00 C ATOM 843 C HIS A 56 -3.815 13.470 2.442 1.00 0.00 C ATOM 844 O HIS A 56 -4.171 12.292 2.404 1.00 0.00 O ATOM 845 CB HIS A 56 -1.444 12.871 1.915 1.00 0.00 C ATOM 846 CG HIS A 56 -0.002 12.982 2.306 1.00 0.00 C ATOM 847 ND1 HIS A 56 0.806 14.026 1.910 1.00 0.00 N ATOM 848 CD2 HIS A 56 0.775 12.173 3.063 1.00 0.00 C ATOM 849 CE1 HIS A 56 2.019 13.854 2.405 1.00 0.00 C ATOM 850 NE2 HIS A 56 2.026 12.736 3.109 1.00 0.00 N ATOM 0 H HIS A 56 -1.908 12.979 4.499 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.201 14.856 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.789 11.856 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.534 13.034 0.841 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.513 14.809 1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.468 11.255 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.861 14.515 2.259 1.00 0.00 H new ATOM 858 N PRO A 57 -4.683 14.484 2.305 1.00 0.00 N ATOM 859 CA PRO A 57 -6.119 14.273 2.101 1.00 0.00 C ATOM 860 C PRO A 57 -6.431 13.693 0.726 1.00 0.00 C ATOM 861 O PRO A 57 -7.534 13.203 0.485 1.00 0.00 O ATOM 862 CB PRO A 57 -6.706 15.681 2.233 1.00 0.00 C ATOM 863 CG PRO A 57 -5.585 16.594 1.871 1.00 0.00 C ATOM 864 CD PRO A 57 -4.329 15.913 2.340 1.00 0.00 C ATOM 0 HA PRO A 57 -6.530 13.556 2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.559 15.818 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.059 15.870 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.556 16.769 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.704 17.566 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.484 16.134 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.049 16.233 3.344 1.00 0.00 H new ATOM 872 N GLU A 58 -5.452 13.751 -0.171 1.00 0.00 N ATOM 873 CA GLU A 58 -5.623 13.230 -1.523 1.00 0.00 C ATOM 874 C GLU A 58 -5.445 11.715 -1.549 1.00 0.00 C ATOM 875 O GLU A 58 -6.244 10.997 -2.148 1.00 0.00 O ATOM 876 CB GLU A 58 -4.625 13.889 -2.477 1.00 0.00 C ATOM 877 CG GLU A 58 -4.946 15.342 -2.786 1.00 0.00 C ATOM 878 CD GLU A 58 -4.346 15.805 -4.099 1.00 0.00 C ATOM 879 OE1 GLU A 58 -4.200 14.966 -5.013 1.00 0.00 O ATOM 880 OE2 GLU A 58 -4.023 17.006 -4.213 1.00 0.00 O ATOM 0 H GLU A 58 -4.533 14.153 0.013 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.636 13.465 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.627 13.831 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.600 13.325 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.028 15.472 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.574 15.972 -1.978 1.00 0.00 H new ATOM 887 N GLU A 59 -4.390 11.238 -0.895 1.00 0.00 N ATOM 888 CA GLU A 59 -4.106 9.809 -0.844 1.00 0.00 C ATOM 889 C GLU A 59 -5.131 9.081 0.021 1.00 0.00 C ATOM 890 O GLU A 59 -5.565 7.977 -0.308 1.00 0.00 O ATOM 891 CB GLU A 59 -2.697 9.565 -0.300 1.00 0.00 C ATOM 892 CG GLU A 59 -1.604 10.222 -1.126 1.00 0.00 C ATOM 893 CD GLU A 59 -1.749 9.947 -2.610 1.00 0.00 C ATOM 894 OE1 GLU A 59 -2.646 10.547 -3.240 1.00 0.00 O ATOM 895 OE2 GLU A 59 -0.966 9.133 -3.142 1.00 0.00 O ATOM 0 H GLU A 59 -3.719 11.820 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.168 9.416 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.642 9.938 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.514 8.491 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.623 11.299 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.632 9.863 -0.787 1.00 0.00 H new ATOM 902 N PHE A 60 -5.511 9.707 1.130 1.00 0.00 N ATOM 903 CA PHE A 60 -6.483 9.119 2.045 1.00 0.00 C ATOM 904 C PHE A 60 -7.763 8.736 1.307 1.00 0.00 C ATOM 905 O PHE A 60 -8.259 7.617 1.442 1.00 0.00 O ATOM 906 CB PHE A 60 -6.806 10.096 3.176 1.00 0.00 C ATOM 907 CG PHE A 60 -7.817 9.568 4.154 1.00 0.00 C ATOM 908 CD1 PHE A 60 -7.471 8.585 5.066 1.00 0.00 C ATOM 909 CD2 PHE A 60 -9.114 10.056 4.161 1.00 0.00 C ATOM 910 CE1 PHE A 60 -8.399 8.097 5.966 1.00 0.00 C ATOM 911 CE2 PHE A 60 -10.047 9.573 5.059 1.00 0.00 C ATOM 912 CZ PHE A 60 -9.689 8.592 5.963 1.00 0.00 C ATOM 0 H PHE A 60 -5.161 10.621 1.417 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.045 8.215 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.887 10.337 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.179 11.026 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.464 8.195 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.399 10.823 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.116 7.329 6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.054 9.962 5.054 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.416 8.213 6.666 1.00 0.00 H new ATOM 922 N CYS A 61 -8.291 9.673 0.527 1.00 0.00 N ATOM 923 CA CYS A 61 -9.514 9.436 -0.232 1.00 0.00 C ATOM 924 C CYS A 61 -9.353 8.238 -1.162 1.00 0.00 C ATOM 925 O CYS A 61 -10.135 7.289 -1.107 1.00 0.00 O ATOM 926 CB CYS A 61 -9.886 10.680 -1.041 1.00 0.00 C ATOM 927 SG CYS A 61 -11.580 10.671 -1.672 1.00 0.00 S ATOM 0 H CYS A 61 -7.892 10.603 0.404 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.315 9.219 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.747 11.562 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.197 10.773 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.800 11.764 -2.340 1.00 0.00 H new ATOM 933 N GLU A 62 -8.336 8.291 -2.016 1.00 0.00 N ATOM 934 CA GLU A 62 -8.075 7.210 -2.959 1.00 0.00 C ATOM 935 C GLU A 62 -8.007 5.865 -2.242 1.00 0.00 C ATOM 936 O GLU A 62 -8.404 4.837 -2.789 1.00 0.00 O ATOM 937 CB GLU A 62 -6.767 7.465 -3.712 1.00 0.00 C ATOM 938 CG GLU A 62 -6.808 8.694 -4.605 1.00 0.00 C ATOM 939 CD GLU A 62 -5.429 9.130 -5.061 1.00 0.00 C ATOM 940 OE1 GLU A 62 -4.513 8.282 -5.076 1.00 0.00 O ATOM 941 OE2 GLU A 62 -5.268 10.320 -5.403 1.00 0.00 O ATOM 0 H GLU A 62 -7.680 9.070 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.898 7.180 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.958 7.578 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.532 6.592 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.426 8.484 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.285 9.514 -4.067 1.00 0.00 H new ATOM 948 N PHE A 63 -7.501 5.882 -1.013 1.00 0.00 N ATOM 949 CA PHE A 63 -7.379 4.664 -0.220 1.00 0.00 C ATOM 950 C PHE A 63 -8.690 4.347 0.494 1.00 0.00 C ATOM 951 O PHE A 63 -9.000 3.185 0.759 1.00 0.00 O ATOM 952 CB PHE A 63 -6.250 4.807 0.803 1.00 0.00 C ATOM 953 CG PHE A 63 -6.276 3.756 1.875 1.00 0.00 C ATOM 954 CD1 PHE A 63 -6.986 3.960 3.047 1.00 0.00 C ATOM 955 CD2 PHE A 63 -5.590 2.563 1.711 1.00 0.00 C ATOM 956 CE1 PHE A 63 -7.013 2.994 4.036 1.00 0.00 C ATOM 957 CE2 PHE A 63 -5.613 1.594 2.696 1.00 0.00 C ATOM 958 CZ PHE A 63 -6.324 1.810 3.860 1.00 0.00 C ATOM 0 H PHE A 63 -7.169 6.725 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.145 3.842 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.292 4.762 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.314 5.791 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.525 4.885 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.031 2.389 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.572 3.165 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.075 0.668 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.341 1.054 4.631 1.00 0.00 H new ATOM 968 N VAL A 64 -9.456 5.388 0.802 1.00 0.00 N ATOM 969 CA VAL A 64 -10.734 5.222 1.484 1.00 0.00 C ATOM 970 C VAL A 64 -11.871 5.037 0.485 1.00 0.00 C ATOM 971 O VAL A 64 -12.689 5.936 0.285 1.00 0.00 O ATOM 972 CB VAL A 64 -11.050 6.430 2.387 1.00 0.00 C ATOM 973 CG1 VAL A 64 -12.339 6.196 3.160 1.00 0.00 C ATOM 974 CG2 VAL A 64 -9.892 6.702 3.335 1.00 0.00 C ATOM 0 H VAL A 64 -9.214 6.356 0.590 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.649 4.328 2.102 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.188 7.308 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.546 7.059 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.162 6.053 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.234 5.307 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.131 7.558 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.721 5.826 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.992 6.917 2.758 1.00 0.00 H new ATOM 984 N LYS A 65 -11.917 3.866 -0.140 1.00 0.00 N ATOM 985 CA LYS A 65 -12.954 3.560 -1.118 1.00 0.00 C ATOM 986 C LYS A 65 -13.926 2.518 -0.573 1.00 0.00 C ATOM 987 O LYS A 65 -13.791 1.326 -0.850 1.00 0.00 O ATOM 988 CB LYS A 65 -12.325 3.056 -2.419 1.00 0.00 C ATOM 989 CG LYS A 65 -11.269 3.989 -2.985 1.00 0.00 C ATOM 990 CD LYS A 65 -11.850 5.354 -3.315 1.00 0.00 C ATOM 991 CE LYS A 65 -12.839 5.275 -4.468 1.00 0.00 C ATOM 992 NZ LYS A 65 -13.061 6.605 -5.100 1.00 0.00 N ATOM 0 H LYS A 65 -11.247 3.112 0.014 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.508 4.476 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.877 2.079 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.110 2.916 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.458 4.102 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.838 3.549 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.347 5.761 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.044 6.041 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.469 4.574 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.789 4.882 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.741 6.509 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.438 7.267 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.159 6.969 -5.469 1.00 0.00 H new ATOM 1006 N SER A 66 -14.904 2.975 0.201 1.00 0.00 N ATOM 1007 CA SER A 66 -15.897 2.082 0.787 1.00 0.00 C ATOM 1008 C SER A 66 -17.110 1.944 -0.128 1.00 0.00 C ATOM 1009 O SER A 66 -17.660 2.937 -0.602 1.00 0.00 O ATOM 1010 CB SER A 66 -16.334 2.599 2.158 1.00 0.00 C ATOM 1011 OG SER A 66 -17.245 1.705 2.774 1.00 0.00 O ATOM 0 H SER A 66 -15.031 3.959 0.437 1.00 0.00 H new ATOM 0 HA SER A 66 -15.440 1.100 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.460 2.730 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.799 3.579 2.049 1.00 0.00 H new ATOM 0 HG SER A 66 -17.508 2.058 3.650 1.00 0.00 H new ATOM 1017 N ASN A 67 -17.522 0.704 -0.372 1.00 0.00 N ATOM 1018 CA ASN A 67 -18.669 0.434 -1.230 1.00 0.00 C ATOM 1019 C ASN A 67 -19.892 0.054 -0.401 1.00 0.00 C ATOM 1020 O ASN A 67 -20.201 -1.126 -0.238 1.00 0.00 O ATOM 1021 CB ASN A 67 -18.341 -0.686 -2.219 1.00 0.00 C ATOM 1022 CG ASN A 67 -17.437 -0.219 -3.343 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -16.216 -0.360 -3.272 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -18.034 0.341 -4.389 1.00 0.00 N ATOM 0 H ASN A 67 -17.078 -0.130 0.013 1.00 0.00 H new ATOM 0 HA ASN A 67 -18.897 1.344 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -17.860 -1.507 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -19.267 -1.078 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -17.477 0.674 -5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -19.049 0.438 -4.405 1.00 0.00 H new ATOM 1031 N SER A 68 -20.583 1.062 0.121 1.00 0.00 N ATOM 1032 CA SER A 68 -21.770 0.833 0.937 1.00 0.00 C ATOM 1033 C SER A 68 -22.464 2.151 1.267 1.00 0.00 C ATOM 1034 O SER A 68 -21.978 3.226 0.919 1.00 0.00 O ATOM 1035 CB SER A 68 -21.395 0.103 2.228 1.00 0.00 C ATOM 1036 OG SER A 68 -21.427 -1.302 2.047 1.00 0.00 O ATOM 0 H SER A 68 -20.342 2.045 -0.006 1.00 0.00 H new ATOM 0 HA SER A 68 -22.460 0.212 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.398 0.409 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 68 -22.085 0.386 3.023 1.00 0.00 H new ATOM 0 HG SER A 68 -20.999 -1.532 1.196 1.00 0.00 H new ATOM 1042 N GLY A 69 -23.605 2.059 1.943 1.00 0.00 N ATOM 1043 CA GLY A 69 -24.349 3.250 2.311 1.00 0.00 C ATOM 1044 C GLY A 69 -23.486 4.278 3.016 1.00 0.00 C ATOM 1045 O GLY A 69 -22.488 3.947 3.657 1.00 0.00 O ATOM 0 H GLY A 69 -24.028 1.180 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -24.781 3.696 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -25.179 2.970 2.960 1.00 0.00 H new ATOM 1049 N PRO A 70 -23.869 5.558 2.900 1.00 0.00 N ATOM 1050 CA PRO A 70 -23.136 6.663 3.524 1.00 0.00 C ATOM 1051 C PRO A 70 -23.265 6.660 5.044 1.00 0.00 C ATOM 1052 O PRO A 70 -24.344 6.414 5.584 1.00 0.00 O ATOM 1053 CB PRO A 70 -23.801 7.909 2.934 1.00 0.00 C ATOM 1054 CG PRO A 70 -25.174 7.465 2.564 1.00 0.00 C ATOM 1055 CD PRO A 70 -25.047 6.025 2.151 1.00 0.00 C ATOM 0 HA PRO A 70 -22.065 6.602 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.830 8.723 3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.255 8.275 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -25.858 7.570 3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -25.574 8.070 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -25.939 5.453 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -24.904 5.927 1.075 1.00 0.00 H new ATOM 1063 N SER A 71 -22.159 6.934 5.728 1.00 0.00 N ATOM 1064 CA SER A 71 -22.149 6.960 7.186 1.00 0.00 C ATOM 1065 C SER A 71 -21.999 8.387 7.704 1.00 0.00 C ATOM 1066 O SER A 71 -21.502 9.265 6.999 1.00 0.00 O ATOM 1067 CB SER A 71 -21.013 6.088 7.724 1.00 0.00 C ATOM 1068 OG SER A 71 -21.218 5.769 9.090 1.00 0.00 O ATOM 0 H SER A 71 -21.258 7.141 5.296 1.00 0.00 H new ATOM 0 HA SER A 71 -23.101 6.563 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.946 5.171 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 71 -20.063 6.610 7.608 1.00 0.00 H new ATOM 0 HG SER A 71 -20.479 5.210 9.410 1.00 0.00 H new ATOM 1074 N SER A 72 -22.433 8.610 8.940 1.00 0.00 N ATOM 1075 CA SER A 72 -22.351 9.931 9.552 1.00 0.00 C ATOM 1076 C SER A 72 -21.034 10.614 9.196 1.00 0.00 C ATOM 1077 O SER A 72 -21.007 11.796 8.854 1.00 0.00 O ATOM 1078 CB SER A 72 -22.487 9.822 11.072 1.00 0.00 C ATOM 1079 OG SER A 72 -23.722 9.227 11.432 1.00 0.00 O ATOM 0 H SER A 72 -22.845 7.893 9.537 1.00 0.00 H new ATOM 0 HA SER A 72 -23.171 10.535 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.664 9.230 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.413 10.813 11.519 1.00 0.00 H new ATOM 0 HG SER A 72 -23.784 9.167 12.408 1.00 0.00 H new ATOM 1085 N GLY A 73 -19.942 9.860 9.279 1.00 0.00 N ATOM 1086 CA GLY A 73 -18.636 10.409 8.964 1.00 0.00 C ATOM 1087 C GLY A 73 -17.746 10.526 10.185 1.00 0.00 C ATOM 1088 O GLY A 73 -17.300 9.503 10.701 1.00 0.00 O ATOM 0 H GLY A 73 -19.938 8.879 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.149 9.776 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.759 11.393 8.512 1.00 0.00 H new TER 1092 GLY A 73 HETATM 1093 ZN ZN A 201 2.957 11.466 4.823 1.00 0.00 ZN