USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 2 GLN : amide:sc= -1.04 K(o=-2.7,f=-5) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -1.67 K(o=-2.7,f=-3.5!) USER MOD Set 2.1: A 72 LYS NZ :NH3+ 150:sc= -0.134 (180deg=-0.979) USER MOD Set 2.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.15 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.267 (180deg=-1.14!) USER MOD Single : A 6 THR OG1 : rot -130:sc= 0.0753 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot 14:sc= 0.135 USER MOD Single : A 15 THR OG1 : rot 115:sc= 0.00787 USER MOD Single : A 22 ASN : amide:sc= -0.0429 K(o=-0.043,f=-0.56) USER MOD Single : A 24 MET CE :methyl -135:sc= -0.355 (180deg=-2.79!) USER MOD Single : A 26 THR OG1 : rot -51:sc= -1.17 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.02 K(o=-2,f=-3.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0854 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 36:sc= 0.643 USER MOD Single : A 60 SER OG : rot 26:sc= -2.46 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 62 SER OG : rot 180:sc= -0.241 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.94 K(o=-2.9,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= -0.173 (180deg=-1.52!) USER MOD Single : A 79 TYR OH : rot 98:sc= -0.249! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 19:sc= 0.98 USER MOD Single : A 85 SER OG : rot 43:sc= 0.272 USER MOD Single : A 86 ASN : amide:sc= -3.77 K(o=-3.8,f=-4.5) USER MOD Single : A 94 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.402 14.223 3.939 1.00 0.00 N ATOM 2 CA MET A 1 -6.123 13.997 2.653 1.00 0.00 C ATOM 3 C MET A 1 -5.549 12.759 1.963 1.00 0.00 C ATOM 4 O MET A 1 -4.348 12.655 1.772 1.00 0.00 O ATOM 5 CB MET A 1 -5.938 15.214 1.745 1.00 0.00 C ATOM 6 CG MET A 1 -6.502 16.459 2.433 1.00 0.00 C ATOM 7 SD MET A 1 -5.945 17.938 1.553 1.00 0.00 S ATOM 8 CE MET A 1 -6.701 17.547 -0.044 1.00 0.00 C ATOM 0 H1 MET A 1 -6.026 14.723 4.604 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.124 13.307 4.347 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.552 14.796 3.764 1.00 0.00 H new ATOM 0 HA MET A 1 -7.184 13.848 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.881 15.357 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.445 15.051 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.591 16.419 2.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.172 16.495 3.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.007 18.470 -0.537 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.979 17.023 -0.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.574 16.913 0.112 1.00 0.00 H new ATOM 20 N GLN A 2 -6.402 11.826 1.591 1.00 0.00 N ATOM 21 CA GLN A 2 -5.927 10.580 0.907 1.00 0.00 C ATOM 22 C GLN A 2 -7.081 9.932 0.139 1.00 0.00 C ATOM 23 O GLN A 2 -8.204 9.885 0.613 1.00 0.00 O ATOM 24 CB GLN A 2 -5.393 9.594 1.950 1.00 0.00 C ATOM 25 CG GLN A 2 -6.435 9.393 3.052 1.00 0.00 C ATOM 26 CD GLN A 2 -5.850 8.506 4.152 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.132 7.325 4.209 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.043 9.027 5.034 1.00 0.00 N ATOM 0 H GLN A 2 -7.411 11.878 1.734 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.132 10.840 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.161 8.640 1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.464 9.971 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.732 10.356 3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.333 8.934 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.806 10.018 4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.648 8.443 5.772 1.00 0.00 H new ATOM 37 N ASP A 3 -6.793 9.427 -1.041 1.00 0.00 N ATOM 38 CA ASP A 3 -7.836 8.760 -1.882 1.00 0.00 C ATOM 39 C ASP A 3 -7.251 7.483 -2.489 1.00 0.00 C ATOM 40 O ASP A 3 -6.170 7.052 -2.116 1.00 0.00 O ATOM 41 CB ASP A 3 -8.269 9.704 -3.008 1.00 0.00 C ATOM 42 CG ASP A 3 -8.667 11.058 -2.420 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.797 11.905 -2.294 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.834 11.226 -2.106 1.00 0.00 O ATOM 0 H ASP A 3 -5.864 9.451 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.700 8.514 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.455 9.832 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.108 9.273 -3.555 1.00 0.00 H new ATOM 49 N TRP A 4 -7.959 6.881 -3.426 1.00 0.00 N ATOM 50 CA TRP A 4 -7.464 5.628 -4.082 1.00 0.00 C ATOM 51 C TRP A 4 -6.094 5.896 -4.717 1.00 0.00 C ATOM 52 O TRP A 4 -5.253 5.014 -4.790 1.00 0.00 O ATOM 53 CB TRP A 4 -8.455 5.185 -5.163 1.00 0.00 C ATOM 54 CG TRP A 4 -8.015 3.877 -5.747 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.899 3.620 -7.070 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.623 2.649 -5.058 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.465 2.321 -7.239 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.280 1.680 -6.031 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.536 2.283 -3.701 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -6.860 0.399 -5.669 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.113 0.993 -3.338 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.778 0.054 -4.320 1.00 0.00 C ATOM 0 H TRP A 4 -8.864 7.210 -3.763 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.372 4.838 -3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.453 5.086 -4.736 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.516 5.941 -5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.112 4.319 -7.866 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.301 1.887 -8.147 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.796 2.998 -2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.600 -0.322 -6.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.046 0.724 -2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.456 -0.936 -4.034 1.00 0.00 H new ATOM 73 N ALA A 5 -5.874 7.115 -5.168 1.00 0.00 N ATOM 74 CA ALA A 5 -4.569 7.482 -5.801 1.00 0.00 C ATOM 75 C ALA A 5 -3.456 7.406 -4.749 1.00 0.00 C ATOM 76 O ALA A 5 -2.315 7.100 -5.066 1.00 0.00 O ATOM 77 CB ALA A 5 -4.658 8.908 -6.359 1.00 0.00 C ATOM 0 H ALA A 5 -6.553 7.875 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.346 6.790 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.708 9.178 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.451 8.958 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.878 9.603 -5.548 1.00 0.00 H new ATOM 83 N THR A 6 -3.793 7.669 -3.501 1.00 0.00 N ATOM 84 CA THR A 6 -2.781 7.609 -2.403 1.00 0.00 C ATOM 85 C THR A 6 -2.445 6.142 -2.155 1.00 0.00 C ATOM 86 O THR A 6 -1.288 5.758 -2.141 1.00 0.00 O ATOM 87 CB THR A 6 -3.366 8.248 -1.137 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.670 9.615 -1.395 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.353 8.162 0.007 1.00 0.00 C ATOM 0 H THR A 6 -4.734 7.924 -3.201 1.00 0.00 H new ATOM 0 HA THR A 6 -1.877 8.154 -2.676 1.00 0.00 H new ATOM 0 HB THR A 6 -4.274 7.715 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.286 10.175 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.776 8.618 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.119 7.117 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.442 8.690 -0.273 1.00 0.00 H new ATOM 97 N PHE A 7 -3.464 5.327 -1.999 1.00 0.00 N ATOM 98 CA PHE A 7 -3.260 3.860 -1.791 1.00 0.00 C ATOM 99 C PHE A 7 -2.555 3.282 -3.027 1.00 0.00 C ATOM 100 O PHE A 7 -1.928 2.239 -2.956 1.00 0.00 O ATOM 101 CB PHE A 7 -4.628 3.194 -1.611 1.00 0.00 C ATOM 102 CG PHE A 7 -4.458 1.739 -1.237 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.349 0.769 -2.238 1.00 0.00 C ATOM 104 CD2 PHE A 7 -4.431 1.361 0.110 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.212 -0.580 -1.895 1.00 0.00 C ATOM 106 CE2 PHE A 7 -4.290 0.009 0.455 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.183 -0.961 -0.548 1.00 0.00 C ATOM 0 H PHE A 7 -4.440 5.623 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.650 3.678 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.193 3.712 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.204 3.275 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.371 1.062 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.519 2.110 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.129 -1.328 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.264 -0.283 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.078 -2.003 -0.283 1.00 0.00 H new ATOM 117 N LYS A 8 -2.656 3.967 -4.156 1.00 0.00 N ATOM 118 CA LYS A 8 -2.000 3.495 -5.409 1.00 0.00 C ATOM 119 C LYS A 8 -0.481 3.580 -5.243 1.00 0.00 C ATOM 120 O LYS A 8 0.234 2.618 -5.477 1.00 0.00 O ATOM 121 CB LYS A 8 -2.447 4.383 -6.574 1.00 0.00 C ATOM 122 CG LYS A 8 -2.295 3.624 -7.902 1.00 0.00 C ATOM 123 CD LYS A 8 -3.599 3.711 -8.705 1.00 0.00 C ATOM 124 CE LYS A 8 -3.309 3.462 -10.186 1.00 0.00 C ATOM 125 NZ LYS A 8 -4.249 4.270 -11.014 1.00 0.00 N ATOM 0 H LYS A 8 -3.173 4.841 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.283 2.462 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.485 4.684 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.851 5.295 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.473 4.046 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.046 2.581 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.315 2.976 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.054 4.693 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.279 3.732 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.421 2.403 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.055 4.103 -12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.228 3.992 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.121 5.279 -10.799 1.00 0.00 H new ATOM 139 N LYS A 9 0.008 4.724 -4.823 1.00 0.00 N ATOM 140 CA LYS A 9 1.482 4.900 -4.616 1.00 0.00 C ATOM 141 C LYS A 9 1.891 4.289 -3.271 1.00 0.00 C ATOM 142 O LYS A 9 3.048 3.963 -3.062 1.00 0.00 O ATOM 143 CB LYS A 9 1.819 6.393 -4.615 1.00 0.00 C ATOM 144 CG LYS A 9 1.596 6.965 -6.015 1.00 0.00 C ATOM 145 CD LYS A 9 2.428 8.235 -6.184 1.00 0.00 C ATOM 146 CE LYS A 9 1.713 9.405 -5.509 1.00 0.00 C ATOM 147 NZ LYS A 9 0.872 10.120 -6.511 1.00 0.00 N ATOM 0 H LYS A 9 -0.555 5.548 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 9 2.022 4.400 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.194 6.918 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.855 6.543 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.877 6.230 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.539 7.187 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.416 8.097 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.576 8.447 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.092 9.042 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.442 10.090 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.386 10.916 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.476 10.479 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.167 9.464 -6.904 1.00 0.00 H new ATOM 161 N LYS A 10 0.952 4.163 -2.356 1.00 0.00 N ATOM 162 CA LYS A 10 1.257 3.609 -1.002 1.00 0.00 C ATOM 163 C LYS A 10 1.270 2.077 -0.994 1.00 0.00 C ATOM 164 O LYS A 10 2.231 1.475 -0.540 1.00 0.00 O ATOM 165 CB LYS A 10 0.192 4.098 -0.017 1.00 0.00 C ATOM 166 CG LYS A 10 0.678 5.376 0.673 1.00 0.00 C ATOM 167 CD LYS A 10 1.391 5.023 1.988 1.00 0.00 C ATOM 168 CE LYS A 10 0.551 5.493 3.179 1.00 0.00 C ATOM 169 NZ LYS A 10 0.896 6.906 3.502 1.00 0.00 N ATOM 0 H LYS A 10 -0.024 4.425 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 10 2.250 3.954 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.743 4.290 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.012 3.327 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.357 5.919 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.167 6.035 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.551 3.946 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.374 5.494 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.510 5.411 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.737 4.855 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.326 7.226 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.906 6.970 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.697 7.509 2.678 1.00 0.00 H new ATOM 183 N HIS A 11 0.192 1.446 -1.426 1.00 0.00 N ATOM 184 CA HIS A 11 0.121 -0.052 -1.370 1.00 0.00 C ATOM 185 C HIS A 11 -0.103 -0.704 -2.745 1.00 0.00 C ATOM 186 O HIS A 11 -0.373 -1.892 -2.801 1.00 0.00 O ATOM 187 CB HIS A 11 -1.034 -0.441 -0.445 1.00 0.00 C ATOM 188 CG HIS A 11 -0.726 -0.004 0.961 1.00 0.00 C ATOM 189 ND1 HIS A 11 0.048 -0.766 1.823 1.00 0.00 N ATOM 190 CD2 HIS A 11 -1.088 1.113 1.674 1.00 0.00 C ATOM 191 CE1 HIS A 11 0.127 -0.105 2.993 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.548 1.047 2.956 1.00 0.00 N ATOM 0 H HIS A 11 -0.634 1.904 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 11 1.082 -0.412 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.959 0.024 -0.786 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.190 -1.519 -0.475 1.00 0.00 H new ATOM 0 HD1 HIS A 11 0.480 -1.665 1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.699 1.920 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.670 -0.462 3.856 1.00 0.00 H new ATOM 200 N LEU A 12 0.005 0.022 -3.845 1.00 0.00 N ATOM 201 CA LEU A 12 -0.203 -0.632 -5.189 1.00 0.00 C ATOM 202 C LEU A 12 1.067 -0.536 -6.033 1.00 0.00 C ATOM 203 O LEU A 12 1.697 0.507 -6.113 1.00 0.00 O ATOM 204 CB LEU A 12 -1.367 0.014 -5.949 1.00 0.00 C ATOM 205 CG LEU A 12 -2.662 -0.084 -5.132 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.817 0.567 -5.911 1.00 0.00 C ATOM 207 CD2 LEU A 12 -2.994 -1.559 -4.873 1.00 0.00 C ATOM 0 H LEU A 12 0.223 1.018 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.443 -1.680 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.139 1.060 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.499 -0.480 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.527 0.434 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.735 0.496 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.585 1.616 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.950 0.052 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.914 -1.628 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.125 -2.075 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.179 -2.023 -4.318 1.00 0.00 H new ATOM 219 N THR A 13 1.425 -1.630 -6.669 1.00 0.00 N ATOM 220 CA THR A 13 2.641 -1.669 -7.540 1.00 0.00 C ATOM 221 C THR A 13 2.388 -2.624 -8.708 1.00 0.00 C ATOM 222 O THR A 13 1.502 -3.461 -8.646 1.00 0.00 O ATOM 223 CB THR A 13 3.845 -2.159 -6.729 1.00 0.00 C ATOM 224 OG1 THR A 13 3.438 -3.197 -5.846 1.00 0.00 O ATOM 225 CG2 THR A 13 4.419 -0.994 -5.923 1.00 0.00 C ATOM 0 H THR A 13 0.914 -2.512 -6.618 1.00 0.00 H new ATOM 0 HA THR A 13 2.850 -0.669 -7.919 1.00 0.00 H new ATOM 0 HB THR A 13 4.607 -2.544 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.551 -3.521 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.276 -1.339 -5.345 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.735 -0.202 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.656 -0.609 -5.246 1.00 0.00 H new ATOM 233 N ASP A 14 3.159 -2.499 -9.769 1.00 0.00 N ATOM 234 CA ASP A 14 2.977 -3.389 -10.960 1.00 0.00 C ATOM 235 C ASP A 14 4.218 -4.274 -11.152 1.00 0.00 C ATOM 236 O ASP A 14 4.495 -4.736 -12.250 1.00 0.00 O ATOM 237 CB ASP A 14 2.752 -2.527 -12.207 1.00 0.00 C ATOM 238 CG ASP A 14 3.902 -1.529 -12.356 1.00 0.00 C ATOM 239 OD1 ASP A 14 3.919 -0.560 -11.615 1.00 0.00 O ATOM 240 OD2 ASP A 14 4.746 -1.751 -13.207 1.00 0.00 O ATOM 0 H ASP A 14 3.909 -1.814 -9.858 1.00 0.00 H new ATOM 0 HA ASP A 14 2.111 -4.032 -10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.689 -3.160 -13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.804 -1.995 -12.128 1.00 0.00 H new ATOM 245 N THR A 15 4.955 -4.519 -10.087 1.00 0.00 N ATOM 246 CA THR A 15 6.179 -5.378 -10.176 1.00 0.00 C ATOM 247 C THR A 15 6.545 -5.899 -8.786 1.00 0.00 C ATOM 248 O THR A 15 6.451 -5.179 -7.806 1.00 0.00 O ATOM 249 CB THR A 15 7.348 -4.556 -10.726 1.00 0.00 C ATOM 250 OG1 THR A 15 7.337 -3.266 -10.131 1.00 0.00 O ATOM 251 CG2 THR A 15 7.219 -4.424 -12.245 1.00 0.00 C ATOM 0 H THR A 15 4.756 -4.156 -9.155 1.00 0.00 H new ATOM 0 HA THR A 15 5.976 -6.218 -10.841 1.00 0.00 H new ATOM 0 HB THR A 15 8.286 -5.058 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.136 -3.155 -9.575 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.053 -3.838 -12.631 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.231 -5.415 -12.699 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.281 -3.924 -12.488 1.00 0.00 H new ATOM 259 N TRP A 16 6.977 -7.141 -8.709 1.00 0.00 N ATOM 260 CA TRP A 16 7.376 -7.740 -7.400 1.00 0.00 C ATOM 261 C TRP A 16 8.606 -6.994 -6.880 1.00 0.00 C ATOM 262 O TRP A 16 8.778 -6.820 -5.684 1.00 0.00 O ATOM 263 CB TRP A 16 7.709 -9.223 -7.606 1.00 0.00 C ATOM 264 CG TRP A 16 7.984 -9.892 -6.292 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.341 -9.638 -5.125 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.960 -10.933 -6.001 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.865 -10.456 -4.139 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.867 -11.272 -4.630 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.912 -11.607 -6.788 1.00 0.00 C ATOM 270 CZ2 TRP A 16 9.688 -12.248 -4.062 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.737 -12.589 -6.219 1.00 0.00 C ATOM 272 CH2 TRP A 16 10.626 -12.909 -4.859 1.00 0.00 C ATOM 0 H TRP A 16 7.069 -7.767 -9.509 1.00 0.00 H new ATOM 0 HA TRP A 16 6.564 -7.656 -6.678 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.879 -9.721 -8.107 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.578 -9.319 -8.257 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.550 -8.916 -4.988 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.550 -10.457 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 16 10.008 -11.367 -7.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.599 -12.490 -3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.462 -13.102 -6.833 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.265 -13.666 -4.428 1.00 0.00 H new ATOM 283 N ASP A 17 9.447 -6.539 -7.786 1.00 0.00 N ATOM 284 CA ASP A 17 10.673 -5.777 -7.397 1.00 0.00 C ATOM 285 C ASP A 17 10.377 -4.282 -7.543 1.00 0.00 C ATOM 286 O ASP A 17 10.203 -3.790 -8.646 1.00 0.00 O ATOM 287 CB ASP A 17 11.827 -6.166 -8.320 1.00 0.00 C ATOM 288 CG ASP A 17 12.448 -7.477 -7.835 1.00 0.00 C ATOM 289 OD1 ASP A 17 11.958 -8.524 -8.228 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.403 -7.412 -7.079 1.00 0.00 O ATOM 0 H ASP A 17 9.329 -6.668 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 17 10.950 -6.005 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.467 -6.278 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.579 -5.377 -8.332 1.00 0.00 H new ATOM 295 N VAL A 18 10.301 -3.570 -6.438 1.00 0.00 N ATOM 296 CA VAL A 18 9.993 -2.106 -6.486 1.00 0.00 C ATOM 297 C VAL A 18 11.275 -1.285 -6.362 1.00 0.00 C ATOM 298 O VAL A 18 12.284 -1.753 -5.859 1.00 0.00 O ATOM 299 CB VAL A 18 9.050 -1.756 -5.332 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.638 -0.283 -5.425 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.803 -2.634 -5.422 1.00 0.00 C ATOM 0 H VAL A 18 10.441 -3.947 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 18 9.521 -1.873 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 18 9.559 -1.927 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.967 -0.040 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.525 0.347 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.128 -0.107 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.126 -2.390 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.301 -2.456 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.091 -3.683 -5.355 1.00 0.00 H new ATOM 311 N ASP A 19 11.213 -0.052 -6.808 1.00 0.00 N ATOM 312 CA ASP A 19 12.386 0.869 -6.729 1.00 0.00 C ATOM 313 C ASP A 19 12.146 1.858 -5.586 1.00 0.00 C ATOM 314 O ASP A 19 11.459 2.855 -5.749 1.00 0.00 O ATOM 315 CB ASP A 19 12.542 1.624 -8.053 1.00 0.00 C ATOM 316 CG ASP A 19 13.017 0.656 -9.138 1.00 0.00 C ATOM 317 OD1 ASP A 19 14.138 0.184 -9.033 1.00 0.00 O ATOM 318 OD2 ASP A 19 12.253 0.403 -10.054 1.00 0.00 O ATOM 0 H ASP A 19 10.381 0.360 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 19 13.298 0.302 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.592 2.073 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.258 2.438 -7.938 1.00 0.00 H new ATOM 323 N CYS A 20 12.692 1.563 -4.430 1.00 0.00 N ATOM 324 CA CYS A 20 12.505 2.442 -3.236 1.00 0.00 C ATOM 325 C CYS A 20 13.595 3.513 -3.198 1.00 0.00 C ATOM 326 O CYS A 20 13.335 4.654 -2.849 1.00 0.00 O ATOM 327 CB CYS A 20 12.565 1.571 -1.984 1.00 0.00 C ATOM 328 SG CYS A 20 10.999 0.673 -1.845 1.00 0.00 S ATOM 0 H CYS A 20 13.267 0.738 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 20 11.540 2.946 -3.287 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.400 0.873 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.730 2.187 -1.100 1.00 0.00 H new ATOM 333 N ASP A 21 14.804 3.154 -3.573 1.00 0.00 N ATOM 334 CA ASP A 21 15.935 4.137 -3.586 1.00 0.00 C ATOM 335 C ASP A 21 15.567 5.341 -4.463 1.00 0.00 C ATOM 336 O ASP A 21 16.085 6.430 -4.275 1.00 0.00 O ATOM 337 CB ASP A 21 17.187 3.463 -4.149 1.00 0.00 C ATOM 338 CG ASP A 21 16.865 2.834 -5.506 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.580 3.578 -6.429 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.906 1.618 -5.597 1.00 0.00 O ATOM 0 H ASP A 21 15.055 2.212 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 21 16.127 4.478 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.989 4.194 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.543 2.699 -3.458 1.00 0.00 H new ATOM 345 N ASN A 22 14.672 5.144 -5.414 1.00 0.00 N ATOM 346 CA ASN A 22 14.248 6.257 -6.319 1.00 0.00 C ATOM 347 C ASN A 22 13.083 7.018 -5.684 1.00 0.00 C ATOM 348 O ASN A 22 13.023 8.234 -5.751 1.00 0.00 O ATOM 349 CB ASN A 22 13.803 5.680 -7.664 1.00 0.00 C ATOM 350 CG ASN A 22 13.813 6.786 -8.720 1.00 0.00 C ATOM 351 OD1 ASN A 22 14.774 7.521 -8.835 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.778 6.940 -9.500 1.00 0.00 N ATOM 0 H ASN A 22 14.218 4.250 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 22 15.086 6.937 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.469 4.871 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.803 5.254 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.776 7.677 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.971 6.324 -9.404 1.00 0.00 H new ATOM 359 N LEU A 23 12.159 6.303 -5.076 1.00 0.00 N ATOM 360 CA LEU A 23 10.975 6.953 -4.427 1.00 0.00 C ATOM 361 C LEU A 23 11.297 7.348 -2.980 1.00 0.00 C ATOM 362 O LEU A 23 10.401 7.706 -2.232 1.00 0.00 O ATOM 363 CB LEU A 23 9.805 5.963 -4.423 1.00 0.00 C ATOM 364 CG LEU A 23 9.036 6.033 -5.751 1.00 0.00 C ATOM 365 CD1 LEU A 23 8.442 7.438 -5.950 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.980 5.697 -6.914 1.00 0.00 C ATOM 0 H LEU A 23 12.178 5.286 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 23 10.716 7.852 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.178 4.951 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.133 6.188 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 23 8.222 5.309 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.900 7.473 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.759 7.664 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.246 8.174 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.431 5.748 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.802 6.413 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.379 4.691 -6.780 1.00 0.00 H new ATOM 378 N MET A 24 12.554 7.278 -2.579 1.00 0.00 N ATOM 379 CA MET A 24 12.928 7.641 -1.178 1.00 0.00 C ATOM 380 C MET A 24 12.918 9.185 -1.019 1.00 0.00 C ATOM 381 O MET A 24 12.280 9.675 -0.103 1.00 0.00 O ATOM 382 CB MET A 24 14.303 6.999 -0.847 1.00 0.00 C ATOM 383 CG MET A 24 14.994 7.650 0.370 1.00 0.00 C ATOM 384 SD MET A 24 16.693 8.084 -0.079 1.00 0.00 S ATOM 385 CE MET A 24 16.628 9.825 0.410 1.00 0.00 C ATOM 0 H MET A 24 13.333 6.984 -3.169 1.00 0.00 H new ATOM 0 HA MET A 24 12.204 7.251 -0.462 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.164 5.935 -0.653 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.956 7.082 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.448 8.540 0.681 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.992 6.963 1.216 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.084 10.438 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.589 10.126 0.547 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.172 9.961 1.345 1.00 0.00 H new ATOM 395 N PRO A 25 13.619 9.915 -1.885 1.00 0.00 N ATOM 396 CA PRO A 25 13.676 11.396 -1.799 1.00 0.00 C ATOM 397 C PRO A 25 12.468 12.077 -2.477 1.00 0.00 C ATOM 398 O PRO A 25 12.563 13.230 -2.870 1.00 0.00 O ATOM 399 CB PRO A 25 14.954 11.746 -2.565 1.00 0.00 C ATOM 400 CG PRO A 25 15.223 10.569 -3.531 1.00 0.00 C ATOM 401 CD PRO A 25 14.428 9.363 -3.000 1.00 0.00 C ATOM 0 HA PRO A 25 13.661 11.736 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.833 12.679 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.791 11.885 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.910 10.822 -4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 25 16.288 10.341 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.794 8.933 -3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 25 15.092 8.571 -2.655 1.00 0.00 H new ATOM 409 N THR A 26 11.343 11.394 -2.619 1.00 0.00 N ATOM 410 CA THR A 26 10.148 12.028 -3.275 1.00 0.00 C ATOM 411 C THR A 26 9.363 12.835 -2.241 1.00 0.00 C ATOM 412 O THR A 26 9.716 12.883 -1.075 1.00 0.00 O ATOM 413 CB THR A 26 9.223 10.962 -3.887 1.00 0.00 C ATOM 414 OG1 THR A 26 9.948 9.766 -4.145 1.00 0.00 O ATOM 415 CG2 THR A 26 8.636 11.488 -5.199 1.00 0.00 C ATOM 0 H THR A 26 11.206 10.432 -2.310 1.00 0.00 H new ATOM 0 HA THR A 26 10.504 12.681 -4.071 1.00 0.00 H new ATOM 0 HB THR A 26 8.421 10.746 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.757 9.978 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.981 10.733 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.065 12.396 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.444 11.711 -5.896 1.00 0.00 H new ATOM 423 N SER A 27 8.300 13.466 -2.682 1.00 0.00 N ATOM 424 CA SER A 27 7.445 14.292 -1.770 1.00 0.00 C ATOM 425 C SER A 27 6.398 13.412 -1.081 1.00 0.00 C ATOM 426 O SER A 27 5.912 13.748 -0.012 1.00 0.00 O ATOM 427 CB SER A 27 6.742 15.384 -2.578 1.00 0.00 C ATOM 428 OG SER A 27 6.747 16.593 -1.830 1.00 0.00 O ATOM 0 H SER A 27 7.984 13.443 -3.652 1.00 0.00 H new ATOM 0 HA SER A 27 8.079 14.748 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.248 15.530 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.718 15.085 -2.803 1.00 0.00 H new ATOM 0 HG SER A 27 6.299 17.297 -2.344 1.00 0.00 H new ATOM 434 N LEU A 28 6.050 12.297 -1.690 1.00 0.00 N ATOM 435 CA LEU A 28 5.030 11.382 -1.091 1.00 0.00 C ATOM 436 C LEU A 28 5.697 10.580 0.018 1.00 0.00 C ATOM 437 O LEU A 28 5.141 10.402 1.089 1.00 0.00 O ATOM 438 CB LEU A 28 4.492 10.435 -2.168 1.00 0.00 C ATOM 439 CG LEU A 28 3.390 9.551 -1.576 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.023 10.171 -1.875 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.463 8.153 -2.197 1.00 0.00 C ATOM 0 H LEU A 28 6.434 11.984 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 28 4.199 11.958 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.099 11.009 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.300 9.815 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 28 3.528 9.475 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.238 9.542 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.969 11.165 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.886 10.248 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.678 7.526 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.327 8.227 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.436 7.710 -1.983 1.00 0.00 H new ATOM 453 N PHE A 29 6.896 10.117 -0.241 1.00 0.00 N ATOM 454 CA PHE A 29 7.656 9.335 0.773 1.00 0.00 C ATOM 455 C PHE A 29 8.489 10.304 1.608 1.00 0.00 C ATOM 456 O PHE A 29 8.528 10.204 2.823 1.00 0.00 O ATOM 457 CB PHE A 29 8.575 8.337 0.062 1.00 0.00 C ATOM 458 CG PHE A 29 7.735 7.271 -0.602 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.117 6.281 0.173 1.00 0.00 C ATOM 460 CD2 PHE A 29 7.571 7.272 -1.993 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.335 5.296 -0.442 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.789 6.287 -2.608 1.00 0.00 C ATOM 463 CZ PHE A 29 6.171 5.299 -1.833 1.00 0.00 C ATOM 0 H PHE A 29 7.384 10.252 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 29 6.970 8.786 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.184 8.852 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.261 7.883 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.244 6.278 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.048 8.034 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.858 4.534 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.663 6.290 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.568 4.539 -2.307 1.00 0.00 H new ATOM 473 N ASP A 30 9.140 11.255 0.953 1.00 0.00 N ATOM 474 CA ASP A 30 9.988 12.278 1.670 1.00 0.00 C ATOM 475 C ASP A 30 10.840 11.598 2.768 1.00 0.00 C ATOM 476 O ASP A 30 10.818 11.986 3.930 1.00 0.00 O ATOM 477 CB ASP A 30 9.068 13.345 2.283 1.00 0.00 C ATOM 478 CG ASP A 30 9.884 14.597 2.611 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.626 14.559 3.578 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.752 15.573 1.890 1.00 0.00 O ATOM 0 H ASP A 30 9.117 11.364 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 30 10.669 12.750 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.267 13.593 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.597 12.958 3.187 1.00 0.00 H new ATOM 485 N CYS A 31 11.577 10.571 2.391 1.00 0.00 N ATOM 486 CA CYS A 31 12.426 9.824 3.373 1.00 0.00 C ATOM 487 C CYS A 31 11.502 9.166 4.418 1.00 0.00 C ATOM 488 O CYS A 31 11.601 9.410 5.614 1.00 0.00 O ATOM 489 CB CYS A 31 13.414 10.793 4.044 1.00 0.00 C ATOM 490 SG CYS A 31 15.092 10.440 3.465 1.00 0.00 S ATOM 0 H CYS A 31 11.623 10.219 1.435 1.00 0.00 H new ATOM 0 HA CYS A 31 13.003 9.050 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.146 11.823 3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.362 10.689 5.128 1.00 0.00 H new ATOM 495 N LYS A 32 10.588 8.341 3.949 1.00 0.00 N ATOM 496 CA LYS A 32 9.616 7.654 4.860 1.00 0.00 C ATOM 497 C LYS A 32 10.309 6.511 5.609 1.00 0.00 C ATOM 498 O LYS A 32 11.453 6.181 5.340 1.00 0.00 O ATOM 499 CB LYS A 32 8.450 7.095 4.027 1.00 0.00 C ATOM 500 CG LYS A 32 7.179 7.913 4.289 1.00 0.00 C ATOM 501 CD LYS A 32 6.299 7.181 5.307 1.00 0.00 C ATOM 502 CE LYS A 32 5.019 7.983 5.555 1.00 0.00 C ATOM 503 NZ LYS A 32 4.086 7.182 6.398 1.00 0.00 N ATOM 0 H LYS A 32 10.476 8.114 2.961 1.00 0.00 H new ATOM 0 HA LYS A 32 9.238 8.372 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.701 7.127 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.278 6.049 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.442 8.902 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.631 8.061 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.050 6.186 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.843 7.047 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.257 8.924 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.545 8.234 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.216 7.727 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.850 6.295 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.540 6.964 7.308 1.00 0.00 H new ATOM 517 N ASP A 33 9.607 5.917 6.550 1.00 0.00 N ATOM 518 CA ASP A 33 10.173 4.791 7.359 1.00 0.00 C ATOM 519 C ASP A 33 10.064 3.479 6.578 1.00 0.00 C ATOM 520 O ASP A 33 11.065 2.874 6.230 1.00 0.00 O ATOM 521 CB ASP A 33 9.392 4.667 8.670 1.00 0.00 C ATOM 522 CG ASP A 33 9.814 5.787 9.624 1.00 0.00 C ATOM 523 OD1 ASP A 33 9.244 6.862 9.535 1.00 0.00 O ATOM 524 OD2 ASP A 33 10.699 5.549 10.429 1.00 0.00 O ATOM 0 H ASP A 33 8.650 6.172 6.793 1.00 0.00 H new ATOM 0 HA ASP A 33 11.223 4.995 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.321 4.726 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.580 3.695 9.127 1.00 0.00 H new ATOM 529 N LYS A 34 8.850 3.039 6.310 1.00 0.00 N ATOM 530 CA LYS A 34 8.637 1.764 5.556 1.00 0.00 C ATOM 531 C LYS A 34 7.312 1.834 4.796 1.00 0.00 C ATOM 532 O LYS A 34 6.459 2.649 5.103 1.00 0.00 O ATOM 533 CB LYS A 34 8.600 0.583 6.531 1.00 0.00 C ATOM 534 CG LYS A 34 7.579 0.860 7.638 1.00 0.00 C ATOM 535 CD LYS A 34 7.205 -0.452 8.331 1.00 0.00 C ATOM 536 CE LYS A 34 6.286 -1.270 7.420 1.00 0.00 C ATOM 537 NZ LYS A 34 5.280 -1.995 8.248 1.00 0.00 N ATOM 0 H LYS A 34 7.993 3.518 6.587 1.00 0.00 H new ATOM 0 HA LYS A 34 9.457 1.625 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.336 -0.331 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.588 0.426 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.994 1.560 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.689 1.327 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.105 -1.022 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.706 -0.246 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.783 -0.614 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.873 -1.980 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.656 -2.550 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.769 -2.632 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.713 -1.308 8.785 1.00 0.00 H new ATOM 551 N ASN A 35 7.146 0.981 3.808 1.00 0.00 N ATOM 552 CA ASN A 35 5.887 0.967 3.000 1.00 0.00 C ATOM 553 C ASN A 35 5.667 -0.431 2.420 1.00 0.00 C ATOM 554 O ASN A 35 6.576 -1.026 1.864 1.00 0.00 O ATOM 555 CB ASN A 35 6.004 1.978 1.856 1.00 0.00 C ATOM 556 CG ASN A 35 5.604 3.371 2.350 1.00 0.00 C ATOM 557 OD1 ASN A 35 6.361 4.024 3.037 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.438 3.860 2.023 1.00 0.00 N ATOM 0 H ASN A 35 7.839 0.288 3.527 1.00 0.00 H new ATOM 0 HA ASN A 35 5.044 1.233 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.026 1.996 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.363 1.678 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.166 4.789 2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.799 3.313 1.445 1.00 0.00 H new ATOM 565 N THR A 36 4.462 -0.946 2.542 1.00 0.00 N ATOM 566 CA THR A 36 4.144 -2.302 1.998 1.00 0.00 C ATOM 567 C THR A 36 3.348 -2.140 0.703 1.00 0.00 C ATOM 568 O THR A 36 2.325 -1.474 0.679 1.00 0.00 O ATOM 569 CB THR A 36 3.316 -3.087 3.020 1.00 0.00 C ATOM 570 OG1 THR A 36 4.032 -3.166 4.244 1.00 0.00 O ATOM 571 CG2 THR A 36 3.050 -4.500 2.493 1.00 0.00 C ATOM 0 H THR A 36 3.681 -0.477 3.000 1.00 0.00 H new ATOM 0 HA THR A 36 5.067 -2.846 1.798 1.00 0.00 H new ATOM 0 HB THR A 36 2.366 -2.579 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.504 -3.666 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.461 -5.056 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.501 -4.440 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.998 -5.011 2.328 1.00 0.00 H new ATOM 579 N PHE A 37 3.822 -2.739 -0.368 1.00 0.00 N ATOM 580 CA PHE A 37 3.118 -2.630 -1.685 1.00 0.00 C ATOM 581 C PHE A 37 2.455 -3.963 -2.038 1.00 0.00 C ATOM 582 O PHE A 37 2.887 -5.017 -1.601 1.00 0.00 O ATOM 583 CB PHE A 37 4.127 -2.259 -2.773 1.00 0.00 C ATOM 584 CG PHE A 37 4.808 -0.960 -2.407 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.040 0.181 -2.142 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.204 -0.898 -2.331 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.669 1.384 -1.800 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.833 0.304 -1.988 1.00 0.00 C ATOM 589 CZ PHE A 37 6.065 1.446 -1.724 1.00 0.00 C ATOM 0 H PHE A 37 4.672 -3.302 -0.383 1.00 0.00 H new ATOM 0 HA PHE A 37 2.351 -1.858 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.867 -3.052 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.622 -2.159 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.963 0.133 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.796 -1.778 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.077 2.264 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.910 0.352 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.551 2.374 -1.462 1.00 0.00 H new ATOM 599 N ILE A 38 1.406 -3.907 -2.830 1.00 0.00 N ATOM 600 CA ILE A 38 0.671 -5.141 -3.246 1.00 0.00 C ATOM 601 C ILE A 38 0.932 -5.405 -4.731 1.00 0.00 C ATOM 602 O ILE A 38 1.023 -4.479 -5.521 1.00 0.00 O ATOM 603 CB ILE A 38 -0.832 -4.932 -3.038 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.101 -4.485 -1.591 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.579 -6.238 -3.332 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.673 -5.574 -0.604 1.00 0.00 C ATOM 0 H ILE A 38 1.025 -3.041 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 38 1.013 -5.987 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.186 -4.158 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.558 -3.563 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.161 -4.266 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.648 -6.087 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.395 -6.538 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.226 -7.019 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.871 -5.240 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.235 -6.486 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.393 -5.772 -0.720 1.00 0.00 H new ATOM 618 N TYR A 39 1.038 -6.663 -5.106 1.00 0.00 N ATOM 619 CA TYR A 39 1.279 -7.017 -6.540 1.00 0.00 C ATOM 620 C TYR A 39 -0.070 -7.360 -7.198 1.00 0.00 C ATOM 621 O TYR A 39 -0.315 -8.481 -7.627 1.00 0.00 O ATOM 622 CB TYR A 39 2.240 -8.210 -6.617 1.00 0.00 C ATOM 623 CG TYR A 39 2.521 -8.531 -8.066 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.338 -7.686 -8.824 1.00 0.00 C ATOM 625 CD2 TYR A 39 1.964 -9.675 -8.649 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.600 -7.985 -10.167 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.223 -9.974 -9.990 1.00 0.00 C ATOM 628 CZ TYR A 39 3.042 -9.130 -10.750 1.00 0.00 C ATOM 629 OH TYR A 39 3.302 -9.427 -12.073 1.00 0.00 O ATOM 0 H TYR A 39 0.967 -7.461 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 39 1.730 -6.177 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.169 -7.977 -6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.804 -9.076 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.767 -6.803 -8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.334 -10.327 -8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.232 -7.333 -10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.791 -10.856 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 39 2.839 -10.255 -12.319 1.00 0.00 H new ATOM 639 N SER A 40 -0.944 -6.381 -7.269 1.00 0.00 N ATOM 640 CA SER A 40 -2.294 -6.587 -7.882 1.00 0.00 C ATOM 641 C SER A 40 -2.647 -5.385 -8.759 1.00 0.00 C ATOM 642 O SER A 40 -1.892 -4.428 -8.844 1.00 0.00 O ATOM 643 CB SER A 40 -3.336 -6.732 -6.773 1.00 0.00 C ATOM 644 OG SER A 40 -4.570 -7.152 -7.341 1.00 0.00 O ATOM 0 H SER A 40 -0.775 -5.437 -6.923 1.00 0.00 H new ATOM 0 HA SER A 40 -2.282 -7.489 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.998 -7.457 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.466 -5.783 -6.253 1.00 0.00 H new ATOM 0 HG SER A 40 -5.240 -7.248 -6.633 1.00 0.00 H new ATOM 650 N LEU A 41 -3.789 -5.439 -9.408 1.00 0.00 N ATOM 651 CA LEU A 41 -4.226 -4.316 -10.295 1.00 0.00 C ATOM 652 C LEU A 41 -5.339 -3.509 -9.601 1.00 0.00 C ATOM 653 O LEU A 41 -6.037 -4.046 -8.762 1.00 0.00 O ATOM 654 CB LEU A 41 -4.752 -4.886 -11.613 1.00 0.00 C ATOM 655 CG LEU A 41 -3.594 -5.493 -12.404 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.122 -6.608 -13.310 1.00 0.00 C ATOM 657 CD2 LEU A 41 -2.940 -4.404 -13.258 1.00 0.00 C ATOM 0 H LEU A 41 -4.441 -6.222 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.378 -3.660 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.510 -5.645 -11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.232 -4.100 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.858 -5.907 -11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.296 -7.041 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.589 -7.381 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.857 -6.197 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.113 -4.833 -13.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.676 -3.991 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.564 -3.611 -12.611 1.00 0.00 H new ATOM 669 N PRO A 42 -5.481 -2.242 -9.971 1.00 0.00 N ATOM 670 CA PRO A 42 -6.511 -1.355 -9.381 1.00 0.00 C ATOM 671 C PRO A 42 -7.912 -1.671 -9.928 1.00 0.00 C ATOM 672 O PRO A 42 -8.904 -1.218 -9.379 1.00 0.00 O ATOM 673 CB PRO A 42 -6.061 0.050 -9.793 1.00 0.00 C ATOM 674 CG PRO A 42 -5.146 -0.123 -11.027 1.00 0.00 C ATOM 675 CD PRO A 42 -4.647 -1.579 -11.006 1.00 0.00 C ATOM 0 HA PRO A 42 -6.593 -1.474 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.920 0.677 -10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.526 0.539 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.693 0.086 -11.947 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.309 0.574 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.769 -2.055 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.587 -1.632 -10.756 1.00 0.00 H new ATOM 683 N GLY A 43 -7.998 -2.441 -10.995 1.00 0.00 N ATOM 684 CA GLY A 43 -9.328 -2.796 -11.584 1.00 0.00 C ATOM 685 C GLY A 43 -10.062 -3.795 -10.669 1.00 0.00 C ATOM 686 O GLY A 43 -11.171 -3.516 -10.244 1.00 0.00 O ATOM 0 H GLY A 43 -7.195 -2.839 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.930 -1.896 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.192 -3.230 -12.574 1.00 0.00 H new ATOM 690 N PRO A 44 -9.439 -4.937 -10.394 1.00 0.00 N ATOM 691 CA PRO A 44 -10.044 -5.983 -9.538 1.00 0.00 C ATOM 692 C PRO A 44 -9.970 -5.600 -8.057 1.00 0.00 C ATOM 693 O PRO A 44 -10.803 -6.019 -7.270 1.00 0.00 O ATOM 694 CB PRO A 44 -9.198 -7.224 -9.823 1.00 0.00 C ATOM 695 CG PRO A 44 -7.841 -6.715 -10.356 1.00 0.00 C ATOM 696 CD PRO A 44 -8.086 -5.295 -10.896 1.00 0.00 C ATOM 0 HA PRO A 44 -11.102 -6.135 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.062 -7.817 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.686 -7.867 -10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.093 -6.704 -9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.464 -7.369 -11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.331 -4.597 -10.535 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.047 -5.272 -11.985 1.00 0.00 H new ATOM 704 N VAL A 45 -8.989 -4.805 -7.677 1.00 0.00 N ATOM 705 CA VAL A 45 -8.861 -4.383 -6.245 1.00 0.00 C ATOM 706 C VAL A 45 -9.959 -3.363 -5.950 1.00 0.00 C ATOM 707 O VAL A 45 -10.744 -3.537 -5.031 1.00 0.00 O ATOM 708 CB VAL A 45 -7.472 -3.776 -6.004 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.368 -3.234 -4.573 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.413 -4.863 -6.205 1.00 0.00 C ATOM 0 H VAL A 45 -8.273 -4.432 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.971 -5.240 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.314 -2.957 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.377 -2.807 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.124 -2.464 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.529 -4.046 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.422 -4.441 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.587 -5.675 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.475 -5.247 -7.223 1.00 0.00 H new ATOM 720 N LYS A 46 -10.025 -2.317 -6.743 1.00 0.00 N ATOM 721 CA LYS A 46 -11.077 -1.274 -6.554 1.00 0.00 C ATOM 722 C LYS A 46 -12.454 -1.916 -6.761 1.00 0.00 C ATOM 723 O LYS A 46 -13.442 -1.463 -6.207 1.00 0.00 O ATOM 724 CB LYS A 46 -10.878 -0.153 -7.573 1.00 0.00 C ATOM 725 CG LYS A 46 -11.849 0.987 -7.263 1.00 0.00 C ATOM 726 CD LYS A 46 -11.444 2.239 -8.042 1.00 0.00 C ATOM 727 CE LYS A 46 -12.582 3.258 -7.985 1.00 0.00 C ATOM 728 NZ LYS A 46 -12.264 4.413 -8.869 1.00 0.00 N ATOM 0 H LYS A 46 -9.387 -2.143 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.008 -0.859 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.850 0.209 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.049 -0.528 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.865 0.694 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.848 1.197 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.535 2.667 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.222 1.981 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.516 2.793 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.726 3.600 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.039 5.105 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.382 4.862 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.148 4.080 -9.847 1.00 0.00 H new ATOM 742 N ALA A 47 -12.514 -2.970 -7.557 1.00 0.00 N ATOM 743 CA ALA A 47 -13.815 -3.666 -7.819 1.00 0.00 C ATOM 744 C ALA A 47 -14.402 -4.177 -6.499 1.00 0.00 C ATOM 745 O ALA A 47 -15.608 -4.181 -6.315 1.00 0.00 O ATOM 746 CB ALA A 47 -13.580 -4.848 -8.764 1.00 0.00 C ATOM 0 H ALA A 47 -11.710 -3.375 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.513 -2.965 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.526 -5.355 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.166 -4.485 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.880 -5.547 -8.306 1.00 0.00 H new ATOM 752 N LEU A 48 -13.551 -4.606 -5.587 1.00 0.00 N ATOM 753 CA LEU A 48 -14.027 -5.129 -4.262 1.00 0.00 C ATOM 754 C LEU A 48 -14.865 -4.059 -3.557 1.00 0.00 C ATOM 755 O LEU A 48 -15.850 -4.362 -2.906 1.00 0.00 O ATOM 756 CB LEU A 48 -12.820 -5.476 -3.383 1.00 0.00 C ATOM 757 CG LEU A 48 -12.103 -6.702 -3.952 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.722 -6.830 -3.307 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.923 -7.957 -3.648 1.00 0.00 C ATOM 0 H LEU A 48 -12.538 -4.615 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.632 -6.021 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.135 -4.630 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.146 -5.675 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.992 -6.590 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.211 -7.703 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.137 -5.936 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.833 -6.942 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.413 -8.831 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.032 -8.068 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.908 -7.867 -4.105 1.00 0.00 H new ATOM 771 N CYS A 49 -14.465 -2.816 -3.688 1.00 0.00 N ATOM 772 CA CYS A 49 -15.202 -1.685 -3.040 1.00 0.00 C ATOM 773 C CYS A 49 -16.426 -1.285 -3.873 1.00 0.00 C ATOM 774 O CYS A 49 -17.230 -0.477 -3.434 1.00 0.00 O ATOM 775 CB CYS A 49 -14.260 -0.492 -2.919 1.00 0.00 C ATOM 776 SG CYS A 49 -13.428 -0.553 -1.317 1.00 0.00 S ATOM 0 H CYS A 49 -13.645 -2.534 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.545 -2.001 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.526 -0.510 -3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.818 0.439 -3.017 1.00 0.00 H new ATOM 781 N ARG A 50 -16.573 -1.836 -5.063 1.00 0.00 N ATOM 782 CA ARG A 50 -17.741 -1.488 -5.927 1.00 0.00 C ATOM 783 C ARG A 50 -19.042 -1.872 -5.208 1.00 0.00 C ATOM 784 O ARG A 50 -19.540 -2.980 -5.346 1.00 0.00 O ATOM 785 CB ARG A 50 -17.629 -2.242 -7.257 1.00 0.00 C ATOM 786 CG ARG A 50 -18.754 -1.799 -8.193 1.00 0.00 C ATOM 787 CD ARG A 50 -18.929 -2.833 -9.304 1.00 0.00 C ATOM 788 NE ARG A 50 -18.105 -2.440 -10.480 1.00 0.00 N ATOM 789 CZ ARG A 50 -18.561 -2.638 -11.684 1.00 0.00 C ATOM 790 NH1 ARG A 50 -18.729 -3.856 -12.124 1.00 0.00 N ATOM 791 NH2 ARG A 50 -18.850 -1.620 -12.449 1.00 0.00 N ATOM 0 H ARG A 50 -15.927 -2.514 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.749 -0.416 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.661 -2.046 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.688 -3.317 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.684 -1.688 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.522 -0.824 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.629 -3.819 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.979 -2.903 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.187 -2.017 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.503 -4.650 -11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.086 -4.013 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.719 -0.669 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.207 -1.776 -13.392 1.00 0.00 H new ATOM 805 N GLY A 51 -19.587 -0.952 -4.438 1.00 0.00 N ATOM 806 CA GLY A 51 -20.855 -1.222 -3.691 1.00 0.00 C ATOM 807 C GLY A 51 -20.842 -0.482 -2.352 1.00 0.00 C ATOM 808 O GLY A 51 -21.888 -0.135 -1.827 1.00 0.00 O ATOM 0 H GLY A 51 -19.200 -0.019 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.711 -0.902 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.966 -2.293 -3.523 1.00 0.00 H new ATOM 812 N VAL A 52 -19.668 -0.248 -1.797 1.00 0.00 N ATOM 813 CA VAL A 52 -19.571 0.463 -0.480 1.00 0.00 C ATOM 814 C VAL A 52 -19.818 1.963 -0.674 1.00 0.00 C ATOM 815 O VAL A 52 -19.520 2.519 -1.718 1.00 0.00 O ATOM 816 CB VAL A 52 -18.178 0.244 0.115 1.00 0.00 C ATOM 817 CG1 VAL A 52 -18.109 0.873 1.510 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.907 -1.258 0.221 1.00 0.00 C ATOM 0 H VAL A 52 -18.773 -0.521 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 52 -20.325 0.065 0.199 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.430 0.709 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.116 0.716 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -18.307 1.942 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.855 0.409 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.916 -1.420 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.656 -1.718 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.956 -1.707 -0.771 1.00 0.00 H new ATOM 828 N ILE A 53 -20.360 2.610 0.337 1.00 0.00 N ATOM 829 CA ILE A 53 -20.645 4.080 0.260 1.00 0.00 C ATOM 830 C ILE A 53 -20.144 4.770 1.536 1.00 0.00 C ATOM 831 O ILE A 53 -19.564 5.842 1.475 1.00 0.00 O ATOM 832 CB ILE A 53 -22.153 4.300 0.112 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.657 3.556 -1.128 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.445 5.797 -0.041 1.00 0.00 C ATOM 835 CD1 ILE A 53 -23.171 2.175 -0.722 1.00 0.00 C ATOM 0 H ILE A 53 -20.619 2.174 1.222 1.00 0.00 H new ATOM 0 HA ILE A 53 -20.131 4.505 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.661 3.921 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -23.453 4.125 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -21.853 3.456 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.519 5.949 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -22.088 6.329 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.936 6.178 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -23.530 1.646 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.363 1.607 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -23.988 2.286 -0.009 1.00 0.00 H new ATOM 847 N PHE A 54 -20.362 4.159 2.683 1.00 0.00 N ATOM 848 CA PHE A 54 -19.905 4.758 3.978 1.00 0.00 C ATOM 849 C PHE A 54 -18.557 4.150 4.376 1.00 0.00 C ATOM 850 O PHE A 54 -18.088 3.208 3.760 1.00 0.00 O ATOM 851 CB PHE A 54 -20.937 4.491 5.081 1.00 0.00 C ATOM 852 CG PHE A 54 -21.306 3.027 5.103 1.00 0.00 C ATOM 853 CD1 PHE A 54 -20.411 2.085 5.624 1.00 0.00 C ATOM 854 CD2 PHE A 54 -22.545 2.612 4.602 1.00 0.00 C ATOM 855 CE1 PHE A 54 -20.755 0.728 5.642 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.890 1.256 4.620 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.995 0.314 5.140 1.00 0.00 C ATOM 0 H PHE A 54 -20.841 3.263 2.774 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.797 5.835 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.531 4.786 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -21.828 5.096 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.455 2.405 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -23.236 3.339 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.064 0.001 6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -23.846 0.937 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.261 -0.733 5.154 1.00 0.00 H new ATOM 867 N SER A 55 -17.935 4.699 5.397 1.00 0.00 N ATOM 868 CA SER A 55 -16.605 4.193 5.861 1.00 0.00 C ATOM 869 C SER A 55 -16.774 2.886 6.642 1.00 0.00 C ATOM 870 O SER A 55 -17.462 2.840 7.649 1.00 0.00 O ATOM 871 CB SER A 55 -15.954 5.243 6.762 1.00 0.00 C ATOM 872 OG SER A 55 -16.803 5.499 7.872 1.00 0.00 O ATOM 0 H SER A 55 -18.300 5.486 5.933 1.00 0.00 H new ATOM 0 HA SER A 55 -15.974 4.004 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.982 4.891 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.780 6.162 6.202 1.00 0.00 H new ATOM 0 HG SER A 55 -17.250 4.669 8.140 1.00 0.00 H new ATOM 878 N ALA A 56 -16.128 1.839 6.181 1.00 0.00 N ATOM 879 CA ALA A 56 -16.194 0.509 6.867 1.00 0.00 C ATOM 880 C ALA A 56 -14.860 -0.210 6.656 1.00 0.00 C ATOM 881 O ALA A 56 -14.086 0.174 5.797 1.00 0.00 O ATOM 882 CB ALA A 56 -17.327 -0.331 6.271 1.00 0.00 C ATOM 0 H ALA A 56 -15.547 1.852 5.342 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.384 0.650 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.368 -1.296 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.275 0.189 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.145 -0.485 5.207 1.00 0.00 H new ATOM 888 N ASP A 57 -14.586 -1.241 7.426 1.00 0.00 N ATOM 889 CA ASP A 57 -13.292 -1.981 7.274 1.00 0.00 C ATOM 890 C ASP A 57 -13.505 -3.216 6.398 1.00 0.00 C ATOM 891 O ASP A 57 -14.453 -3.962 6.585 1.00 0.00 O ATOM 892 CB ASP A 57 -12.783 -2.411 8.652 1.00 0.00 C ATOM 893 CG ASP A 57 -12.314 -1.181 9.432 1.00 0.00 C ATOM 894 OD1 ASP A 57 -13.132 -0.594 10.123 1.00 0.00 O ATOM 895 OD2 ASP A 57 -11.146 -0.846 9.325 1.00 0.00 O ATOM 0 H ASP A 57 -15.205 -1.600 8.153 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.557 -1.328 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.575 -2.922 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.962 -3.120 8.543 1.00 0.00 H new ATOM 900 N VAL A 58 -12.626 -3.421 5.438 1.00 0.00 N ATOM 901 CA VAL A 58 -12.742 -4.592 4.514 1.00 0.00 C ATOM 902 C VAL A 58 -11.428 -5.378 4.510 1.00 0.00 C ATOM 903 O VAL A 58 -10.383 -4.862 4.870 1.00 0.00 O ATOM 904 CB VAL A 58 -13.039 -4.090 3.094 1.00 0.00 C ATOM 905 CG1 VAL A 58 -13.129 -5.274 2.119 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.366 -3.332 3.093 1.00 0.00 C ATOM 0 H VAL A 58 -11.825 -2.816 5.257 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.550 -5.241 4.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.233 -3.429 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.340 -4.904 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.183 -5.815 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.928 -5.945 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.580 -2.974 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.165 -3.997 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.301 -2.483 3.773 1.00 0.00 H new ATOM 916 N LEU A 59 -11.494 -6.618 4.081 1.00 0.00 N ATOM 917 CA LEU A 59 -10.281 -7.485 4.006 1.00 0.00 C ATOM 918 C LEU A 59 -10.147 -8.004 2.572 1.00 0.00 C ATOM 919 O LEU A 59 -11.136 -8.317 1.930 1.00 0.00 O ATOM 920 CB LEU A 59 -10.434 -8.667 4.969 1.00 0.00 C ATOM 921 CG LEU A 59 -10.209 -8.186 6.402 1.00 0.00 C ATOM 922 CD1 LEU A 59 -11.071 -9.008 7.362 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.731 -8.355 6.767 1.00 0.00 C ATOM 0 H LEU A 59 -12.356 -7.070 3.775 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.394 -6.915 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.428 -9.103 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.717 -9.449 4.719 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.487 -7.135 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.909 -8.663 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.122 -8.887 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.797 -10.060 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.567 -8.013 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.455 -9.406 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.118 -7.766 6.084 1.00 0.00 H new ATOM 935 N SER A 60 -8.932 -8.086 2.065 1.00 0.00 N ATOM 936 CA SER A 60 -8.706 -8.573 0.658 1.00 0.00 C ATOM 937 C SER A 60 -9.459 -9.888 0.418 1.00 0.00 C ATOM 938 O SER A 60 -9.670 -10.666 1.335 1.00 0.00 O ATOM 939 CB SER A 60 -7.212 -8.804 0.431 1.00 0.00 C ATOM 940 OG SER A 60 -6.671 -9.502 1.545 1.00 0.00 O ATOM 0 H SER A 60 -8.082 -7.835 2.570 1.00 0.00 H new ATOM 0 HA SER A 60 -9.077 -7.818 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.055 -9.377 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.700 -7.850 0.301 1.00 0.00 H new ATOM 0 HG SER A 60 -7.378 -10.025 1.978 1.00 0.00 H new ATOM 946 N ASN A 61 -9.859 -10.126 -0.814 1.00 0.00 N ATOM 947 CA ASN A 61 -10.603 -11.378 -1.159 1.00 0.00 C ATOM 948 C ASN A 61 -9.640 -12.569 -1.110 1.00 0.00 C ATOM 949 O ASN A 61 -10.039 -13.682 -0.810 1.00 0.00 O ATOM 950 CB ASN A 61 -11.193 -11.243 -2.572 1.00 0.00 C ATOM 951 CG ASN A 61 -12.707 -11.461 -2.529 1.00 0.00 C ATOM 952 OD1 ASN A 61 -13.405 -10.814 -1.773 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.248 -12.355 -3.311 1.00 0.00 N ATOM 0 H ASN A 61 -9.698 -9.497 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.410 -11.538 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.971 -10.255 -2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.731 -11.971 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.256 -12.510 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.663 -12.898 -3.946 1.00 0.00 H new ATOM 960 N SER A 62 -8.379 -12.331 -1.407 1.00 0.00 N ATOM 961 CA SER A 62 -7.359 -13.427 -1.389 1.00 0.00 C ATOM 962 C SER A 62 -5.979 -12.837 -1.087 1.00 0.00 C ATOM 963 O SER A 62 -5.731 -11.669 -1.340 1.00 0.00 O ATOM 964 CB SER A 62 -7.328 -14.118 -2.754 1.00 0.00 C ATOM 965 OG SER A 62 -8.660 -14.356 -3.191 1.00 0.00 O ATOM 0 H SER A 62 -8.013 -11.414 -1.663 1.00 0.00 H new ATOM 0 HA SER A 62 -7.621 -14.153 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.801 -13.496 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.782 -15.059 -2.686 1.00 0.00 H new ATOM 0 HG SER A 62 -8.643 -14.797 -4.066 1.00 0.00 H new ATOM 971 N GLU A 63 -5.090 -13.643 -0.546 1.00 0.00 N ATOM 972 CA GLU A 63 -3.710 -13.166 -0.209 1.00 0.00 C ATOM 973 C GLU A 63 -2.934 -12.882 -1.495 1.00 0.00 C ATOM 974 O GLU A 63 -2.950 -13.674 -2.423 1.00 0.00 O ATOM 975 CB GLU A 63 -2.984 -14.246 0.594 1.00 0.00 C ATOM 976 CG GLU A 63 -3.767 -14.544 1.873 1.00 0.00 C ATOM 977 CD GLU A 63 -3.184 -15.784 2.552 1.00 0.00 C ATOM 978 OE1 GLU A 63 -2.016 -15.747 2.904 1.00 0.00 O ATOM 979 OE2 GLU A 63 -3.914 -16.748 2.710 1.00 0.00 O ATOM 0 H GLU A 63 -5.267 -14.622 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.777 -12.252 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.884 -15.152 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.976 -13.914 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.719 -13.690 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.819 -14.706 1.638 1.00 0.00 H new ATOM 986 N PHE A 64 -2.249 -11.758 -1.541 1.00 0.00 N ATOM 987 CA PHE A 64 -1.444 -11.392 -2.752 1.00 0.00 C ATOM 988 C PHE A 64 0.028 -11.285 -2.363 1.00 0.00 C ATOM 989 O PHE A 64 0.373 -11.343 -1.191 1.00 0.00 O ATOM 990 CB PHE A 64 -1.882 -10.030 -3.317 1.00 0.00 C ATOM 991 CG PHE A 64 -3.388 -9.890 -3.294 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.173 -10.574 -4.230 1.00 0.00 C ATOM 993 CD2 PHE A 64 -3.997 -9.063 -2.342 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.566 -10.435 -4.212 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.389 -8.922 -2.325 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.174 -9.607 -3.260 1.00 0.00 C ATOM 0 H PHE A 64 -2.215 -11.075 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.599 -12.164 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.430 -9.228 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.519 -9.923 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.704 -11.209 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.392 -8.534 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.171 -10.966 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.858 -8.284 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.248 -9.497 -3.247 1.00 0.00 H new ATOM 1006 N TYR A 65 0.882 -11.093 -3.343 1.00 0.00 N ATOM 1007 CA TYR A 65 2.342 -10.934 -3.069 1.00 0.00 C ATOM 1008 C TYR A 65 2.548 -9.519 -2.537 1.00 0.00 C ATOM 1009 O TYR A 65 1.832 -8.608 -2.927 1.00 0.00 O ATOM 1010 CB TYR A 65 3.140 -11.147 -4.359 1.00 0.00 C ATOM 1011 CG TYR A 65 3.395 -12.628 -4.551 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.327 -13.535 -4.513 1.00 0.00 C ATOM 1013 CD2 TYR A 65 4.699 -13.094 -4.760 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.562 -14.904 -4.683 1.00 0.00 C ATOM 1015 CE2 TYR A 65 4.934 -14.465 -4.933 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.865 -15.370 -4.892 1.00 0.00 C ATOM 1017 OH TYR A 65 4.097 -16.720 -5.059 1.00 0.00 O ATOM 0 H TYR A 65 0.624 -11.040 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 65 2.688 -11.668 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.590 -10.748 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.085 -10.607 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.321 -13.177 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.524 -12.397 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.738 -15.601 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.939 -14.824 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 65 5.055 -16.873 -5.194 1.00 0.00 H new ATOM 1027 N LEU A 66 3.482 -9.332 -1.632 1.00 0.00 N ATOM 1028 CA LEU A 66 3.694 -7.971 -1.043 1.00 0.00 C ATOM 1029 C LEU A 66 5.167 -7.577 -1.099 1.00 0.00 C ATOM 1030 O LEU A 66 6.000 -8.176 -0.437 1.00 0.00 O ATOM 1031 CB LEU A 66 3.246 -7.949 0.430 1.00 0.00 C ATOM 1032 CG LEU A 66 1.984 -8.799 0.636 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.720 -8.960 2.131 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.788 -8.107 -0.012 1.00 0.00 C ATOM 0 H LEU A 66 4.103 -10.060 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 66 3.103 -7.266 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.049 -8.325 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.051 -6.922 0.739 1.00 0.00 H new ATOM 0 HG LEU A 66 2.130 -9.778 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.824 -9.563 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.571 -9.453 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.575 -7.979 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.106 -8.712 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.643 -7.128 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.972 -7.986 -1.079 1.00 0.00 H new ATOM 1046 N ALA A 67 5.471 -6.547 -1.854 1.00 0.00 N ATOM 1047 CA ALA A 67 6.874 -6.041 -1.943 1.00 0.00 C ATOM 1048 C ALA A 67 6.952 -4.787 -1.073 1.00 0.00 C ATOM 1049 O ALA A 67 6.505 -3.723 -1.472 1.00 0.00 O ATOM 1050 CB ALA A 67 7.219 -5.693 -3.394 1.00 0.00 C ATOM 0 H ALA A 67 4.796 -6.031 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 67 7.581 -6.798 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.244 -5.325 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.121 -6.583 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.538 -4.922 -3.755 1.00 0.00 H new ATOM 1056 N GLU A 68 7.483 -4.918 0.125 1.00 0.00 N ATOM 1057 CA GLU A 68 7.562 -3.751 1.056 1.00 0.00 C ATOM 1058 C GLU A 68 8.978 -3.195 1.090 1.00 0.00 C ATOM 1059 O GLU A 68 9.889 -3.740 0.488 1.00 0.00 O ATOM 1060 CB GLU A 68 7.160 -4.188 2.468 1.00 0.00 C ATOM 1061 CG GLU A 68 7.972 -5.418 2.875 1.00 0.00 C ATOM 1062 CD GLU A 68 7.882 -5.618 4.389 1.00 0.00 C ATOM 1063 OE1 GLU A 68 6.923 -6.230 4.830 1.00 0.00 O ATOM 1064 OE2 GLU A 68 8.774 -5.158 5.083 1.00 0.00 O ATOM 0 H GLU A 68 7.865 -5.788 0.495 1.00 0.00 H new ATOM 0 HA GLU A 68 6.882 -2.977 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.333 -3.376 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.095 -4.416 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.596 -6.301 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.013 -5.294 2.576 1.00 0.00 H new ATOM 1071 N CYS A 69 9.151 -2.113 1.809 1.00 0.00 N ATOM 1072 CA CYS A 69 10.487 -1.468 1.938 1.00 0.00 C ATOM 1073 C CYS A 69 10.648 -0.953 3.362 1.00 0.00 C ATOM 1074 O CYS A 69 9.725 -0.396 3.933 1.00 0.00 O ATOM 1075 CB CYS A 69 10.595 -0.294 0.967 1.00 0.00 C ATOM 1076 SG CYS A 69 11.381 -0.838 -0.565 1.00 0.00 S ATOM 0 H CYS A 69 8.404 -1.643 2.321 1.00 0.00 H new ATOM 0 HA CYS A 69 11.265 -2.196 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.604 0.107 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.175 0.511 1.418 1.00 0.00 H new ATOM 1081 N ASN A 70 11.819 -1.129 3.920 1.00 0.00 N ATOM 1082 CA ASN A 70 12.089 -0.648 5.308 1.00 0.00 C ATOM 1083 C ASN A 70 13.484 -0.042 5.346 1.00 0.00 C ATOM 1084 O ASN A 70 14.444 -0.674 4.928 1.00 0.00 O ATOM 1085 CB ASN A 70 12.013 -1.821 6.286 1.00 0.00 C ATOM 1086 CG ASN A 70 10.602 -2.408 6.263 1.00 0.00 C ATOM 1087 OD1 ASN A 70 10.251 -3.138 5.357 1.00 0.00 O ATOM 1088 ND2 ASN A 70 9.772 -2.117 7.226 1.00 0.00 N ATOM 0 H ASN A 70 12.608 -1.591 3.467 1.00 0.00 H new ATOM 0 HA ASN A 70 11.348 0.098 5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.741 -2.585 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.264 -1.487 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.828 -2.502 7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.067 -1.504 7.986 1.00 0.00 H new ATOM 1095 N VAL A 71 13.602 1.178 5.827 1.00 0.00 N ATOM 1096 CA VAL A 71 14.940 1.834 5.881 1.00 0.00 C ATOM 1097 C VAL A 71 15.826 1.079 6.872 1.00 0.00 C ATOM 1098 O VAL A 71 15.523 0.999 8.050 1.00 0.00 O ATOM 1099 CB VAL A 71 14.810 3.304 6.290 1.00 0.00 C ATOM 1100 CG1 VAL A 71 13.976 4.049 5.248 1.00 0.00 C ATOM 1101 CG2 VAL A 71 14.135 3.421 7.654 1.00 0.00 C ATOM 0 H VAL A 71 12.829 1.741 6.182 1.00 0.00 H new ATOM 0 HA VAL A 71 15.394 1.805 4.890 1.00 0.00 H new ATOM 0 HB VAL A 71 15.807 3.741 6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.882 5.096 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.465 3.984 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.985 3.600 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.051 4.472 7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.141 2.977 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.731 2.897 8.401 1.00 0.00 H new ATOM 1111 N LYS A 72 16.914 0.511 6.387 1.00 0.00 N ATOM 1112 CA LYS A 72 17.851 -0.269 7.263 1.00 0.00 C ATOM 1113 C LYS A 72 18.200 0.537 8.530 1.00 0.00 C ATOM 1114 O LYS A 72 18.111 1.751 8.515 1.00 0.00 O ATOM 1115 CB LYS A 72 19.136 -0.566 6.488 1.00 0.00 C ATOM 1116 CG LYS A 72 18.976 -1.878 5.714 1.00 0.00 C ATOM 1117 CD LYS A 72 20.083 -1.992 4.663 1.00 0.00 C ATOM 1118 CE LYS A 72 21.317 -2.657 5.279 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.996 -4.063 5.655 1.00 0.00 N ATOM 0 H LYS A 72 17.193 0.558 5.407 1.00 0.00 H new ATOM 0 HA LYS A 72 17.366 -1.200 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.354 0.250 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.979 -0.638 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 72 19.023 -2.724 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.999 -1.911 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.731 -2.575 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.342 -1.003 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.144 -2.640 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.641 -2.100 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.854 -4.646 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.640 -4.088 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.269 -4.437 5.012 1.00 0.00 H new ATOM 1133 N PRO A 73 18.589 -0.160 9.592 1.00 0.00 N ATOM 1134 CA PRO A 73 18.957 0.486 10.865 1.00 0.00 C ATOM 1135 C PRO A 73 20.369 1.068 10.763 1.00 0.00 C ATOM 1136 O PRO A 73 21.227 0.504 10.102 1.00 0.00 O ATOM 1137 CB PRO A 73 18.901 -0.654 11.885 1.00 0.00 C ATOM 1138 CG PRO A 73 19.067 -1.966 11.084 1.00 0.00 C ATOM 1139 CD PRO A 73 18.701 -1.642 9.624 1.00 0.00 C ATOM 0 HA PRO A 73 18.301 1.313 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.692 -0.550 12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.954 -0.646 12.425 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.090 -2.335 11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.419 -2.747 11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.466 -1.998 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.764 -2.118 9.334 1.00 0.00 H new ATOM 1147 N ARG A 74 20.600 2.196 11.399 1.00 0.00 N ATOM 1148 CA ARG A 74 21.942 2.858 11.349 1.00 0.00 C ATOM 1149 C ARG A 74 22.277 3.218 9.896 1.00 0.00 C ATOM 1150 O ARG A 74 23.434 3.371 9.536 1.00 0.00 O ATOM 1151 CB ARG A 74 23.011 1.917 11.922 1.00 0.00 C ATOM 1152 CG ARG A 74 22.993 1.994 13.451 1.00 0.00 C ATOM 1153 CD ARG A 74 23.535 3.352 13.906 1.00 0.00 C ATOM 1154 NE ARG A 74 22.393 4.275 14.185 1.00 0.00 N ATOM 1155 CZ ARG A 74 22.580 5.385 14.858 1.00 0.00 C ATOM 1156 NH1 ARG A 74 23.729 6.007 14.809 1.00 0.00 N ATOM 1157 NH2 ARG A 74 21.608 5.880 15.575 1.00 0.00 N ATOM 0 H ARG A 74 19.904 2.690 11.957 1.00 0.00 H new ATOM 0 HA ARG A 74 21.922 3.768 11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.822 0.894 11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.995 2.195 11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 74 21.977 1.855 13.820 1.00 0.00 H new ATOM 0 HG3 ARG A 74 23.597 1.191 13.872 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.146 3.231 14.801 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.179 3.775 13.135 1.00 0.00 H new ATOM 0 HE ARG A 74 21.459 4.039 13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.490 5.630 14.244 1.00 0.00 H new ATOM 0 HH12 ARG A 74 23.865 6.870 15.336 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.707 5.404 15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.750 6.743 16.100 1.00 0.00 H new ATOM 1171 N LYS A 75 21.261 3.374 9.069 1.00 0.00 N ATOM 1172 CA LYS A 75 21.475 3.745 7.635 1.00 0.00 C ATOM 1173 C LYS A 75 20.550 4.933 7.300 1.00 0.00 C ATOM 1174 O LYS A 75 19.372 4.870 7.608 1.00 0.00 O ATOM 1175 CB LYS A 75 21.136 2.554 6.735 1.00 0.00 C ATOM 1176 CG LYS A 75 22.085 1.390 7.043 1.00 0.00 C ATOM 1177 CD LYS A 75 22.449 0.664 5.745 1.00 0.00 C ATOM 1178 CE LYS A 75 23.900 0.180 5.820 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.398 -0.157 4.451 1.00 0.00 N ATOM 0 H LYS A 75 20.283 3.257 9.335 1.00 0.00 H new ATOM 0 HA LYS A 75 22.516 4.021 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.103 2.246 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.224 2.841 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.987 1.762 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.612 0.697 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.780 -0.182 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.321 1.333 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.527 0.953 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.967 -0.695 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.383 -0.485 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.807 -0.909 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.350 0.688 3.846 1.00 0.00 H new ATOM 1193 N PRO A 76 21.092 5.995 6.706 1.00 0.00 N ATOM 1194 CA PRO A 76 20.296 7.199 6.370 1.00 0.00 C ATOM 1195 C PRO A 76 19.372 6.981 5.159 1.00 0.00 C ATOM 1196 O PRO A 76 19.799 7.026 4.019 1.00 0.00 O ATOM 1197 CB PRO A 76 21.354 8.265 6.070 1.00 0.00 C ATOM 1198 CG PRO A 76 22.645 7.508 5.696 1.00 0.00 C ATOM 1199 CD PRO A 76 22.524 6.107 6.316 1.00 0.00 C ATOM 0 HA PRO A 76 19.623 7.476 7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.033 8.911 5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.517 8.905 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.758 7.445 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.524 8.027 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.803 5.332 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.180 5.997 7.179 1.00 0.00 H new ATOM 1207 N CYS A 77 18.098 6.794 5.430 1.00 0.00 N ATOM 1208 CA CYS A 77 17.066 6.619 4.351 1.00 0.00 C ATOM 1209 C CYS A 77 17.484 5.574 3.292 1.00 0.00 C ATOM 1210 O CYS A 77 17.200 5.733 2.109 1.00 0.00 O ATOM 1211 CB CYS A 77 16.831 7.977 3.677 1.00 0.00 C ATOM 1212 SG CYS A 77 15.757 8.998 4.715 1.00 0.00 S ATOM 0 H CYS A 77 17.722 6.754 6.377 1.00 0.00 H new ATOM 0 HA CYS A 77 16.151 6.249 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.783 8.483 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.376 7.833 2.697 1.00 0.00 H new ATOM 1217 N LYS A 78 18.106 4.488 3.705 1.00 0.00 N ATOM 1218 CA LYS A 78 18.493 3.413 2.727 1.00 0.00 C ATOM 1219 C LYS A 78 17.414 2.336 2.788 1.00 0.00 C ATOM 1220 O LYS A 78 17.188 1.754 3.831 1.00 0.00 O ATOM 1221 CB LYS A 78 19.852 2.825 3.102 1.00 0.00 C ATOM 1222 CG LYS A 78 20.963 3.636 2.421 1.00 0.00 C ATOM 1223 CD LYS A 78 22.073 3.930 3.429 1.00 0.00 C ATOM 1224 CE LYS A 78 23.211 4.682 2.735 1.00 0.00 C ATOM 1225 NZ LYS A 78 24.390 4.757 3.646 1.00 0.00 N ATOM 0 H LYS A 78 18.361 4.301 4.675 1.00 0.00 H new ATOM 0 HA LYS A 78 18.574 3.818 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.983 2.845 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.907 1.781 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.365 3.081 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.558 4.569 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.681 4.525 4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.446 2.999 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 78 23.485 4.174 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.884 5.686 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 25.265 4.677 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 24.382 5.667 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 24.346 3.979 4.335 1.00 0.00 H new ATOM 1239 N TYR A 79 16.717 2.111 1.691 1.00 0.00 N ATOM 1240 CA TYR A 79 15.584 1.126 1.685 1.00 0.00 C ATOM 1241 C TYR A 79 16.032 -0.287 1.302 1.00 0.00 C ATOM 1242 O TYR A 79 16.882 -0.485 0.451 1.00 0.00 O ATOM 1243 CB TYR A 79 14.529 1.592 0.673 1.00 0.00 C ATOM 1244 CG TYR A 79 13.532 2.508 1.346 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.882 2.101 2.519 1.00 0.00 C ATOM 1246 CD2 TYR A 79 13.256 3.765 0.795 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.961 2.951 3.141 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.333 4.615 1.418 1.00 0.00 C ATOM 1249 CZ TYR A 79 11.687 4.207 2.592 1.00 0.00 C ATOM 1250 OH TYR A 79 10.779 5.044 3.207 1.00 0.00 O ATOM 0 H TYR A 79 16.888 2.571 0.797 1.00 0.00 H new ATOM 0 HA TYR A 79 15.182 1.085 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.012 2.112 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.014 0.730 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 79 13.092 1.130 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.754 4.079 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.462 2.637 4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.120 5.585 0.993 1.00 0.00 H new ATOM 0 HH TYR A 79 11.258 5.699 3.756 1.00 0.00 H new ATOM 1260 N LYS A 80 15.408 -1.261 1.931 1.00 0.00 N ATOM 1261 CA LYS A 80 15.692 -2.701 1.651 1.00 0.00 C ATOM 1262 C LYS A 80 14.384 -3.341 1.184 1.00 0.00 C ATOM 1263 O LYS A 80 13.325 -3.011 1.694 1.00 0.00 O ATOM 1264 CB LYS A 80 16.174 -3.390 2.932 1.00 0.00 C ATOM 1265 CG LYS A 80 16.704 -4.786 2.598 1.00 0.00 C ATOM 1266 CD LYS A 80 18.208 -4.711 2.325 1.00 0.00 C ATOM 1267 CE LYS A 80 18.765 -6.122 2.116 1.00 0.00 C ATOM 1268 NZ LYS A 80 20.197 -6.156 2.531 1.00 0.00 N ATOM 0 H LYS A 80 14.696 -1.108 2.645 1.00 0.00 H new ATOM 0 HA LYS A 80 16.466 -2.802 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.957 -2.796 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.355 -3.463 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.508 -5.468 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.185 -5.184 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.397 -4.100 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.716 -4.229 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.189 -6.842 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.671 -6.410 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.577 -7.114 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.741 -5.480 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.274 -5.898 3.536 1.00 0.00 H new ATOM 1282 N LEU A 81 14.444 -4.227 0.211 1.00 0.00 N ATOM 1283 CA LEU A 81 13.196 -4.872 -0.314 1.00 0.00 C ATOM 1284 C LEU A 81 12.912 -6.186 0.418 1.00 0.00 C ATOM 1285 O LEU A 81 13.812 -6.964 0.686 1.00 0.00 O ATOM 1286 CB LEU A 81 13.363 -5.152 -1.807 1.00 0.00 C ATOM 1287 CG LEU A 81 12.009 -5.016 -2.512 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.221 -5.046 -4.026 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.089 -6.175 -2.098 1.00 0.00 C ATOM 0 H LEU A 81 15.307 -4.530 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 81 12.358 -4.194 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.081 -4.455 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.763 -6.155 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 81 11.546 -4.072 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.259 -4.949 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.869 -4.220 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.686 -5.990 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.128 -6.074 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.548 -7.123 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.937 -6.152 -1.019 1.00 0.00 H new ATOM 1301 N LYS A 82 11.652 -6.431 0.715 1.00 0.00 N ATOM 1302 CA LYS A 82 11.244 -7.692 1.407 1.00 0.00 C ATOM 1303 C LYS A 82 9.933 -8.172 0.778 1.00 0.00 C ATOM 1304 O LYS A 82 9.078 -7.368 0.444 1.00 0.00 O ATOM 1305 CB LYS A 82 11.037 -7.424 2.900 1.00 0.00 C ATOM 1306 CG LYS A 82 12.393 -7.268 3.594 1.00 0.00 C ATOM 1307 CD LYS A 82 12.172 -6.852 5.051 1.00 0.00 C ATOM 1308 CE LYS A 82 13.483 -6.972 5.832 1.00 0.00 C ATOM 1309 NZ LYS A 82 13.441 -6.062 7.014 1.00 0.00 N ATOM 0 H LYS A 82 10.882 -5.797 0.502 1.00 0.00 H new ATOM 0 HA LYS A 82 12.018 -8.452 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.442 -6.521 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.480 -8.244 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.946 -8.206 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.995 -6.520 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.806 -5.826 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.408 -7.482 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.633 -8.002 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.326 -6.715 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.331 -6.142 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.317 -5.081 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.645 -6.328 7.629 1.00 0.00 H new ATOM 1323 N LYS A 83 9.784 -9.468 0.596 1.00 0.00 N ATOM 1324 CA LYS A 83 8.543 -10.017 -0.038 1.00 0.00 C ATOM 1325 C LYS A 83 7.675 -10.728 1.004 1.00 0.00 C ATOM 1326 O LYS A 83 8.155 -11.145 2.046 1.00 0.00 O ATOM 1327 CB LYS A 83 8.937 -11.014 -1.128 1.00 0.00 C ATOM 1328 CG LYS A 83 9.847 -12.096 -0.531 1.00 0.00 C ATOM 1329 CD LYS A 83 11.303 -11.830 -0.923 1.00 0.00 C ATOM 1330 CE LYS A 83 12.208 -12.864 -0.252 1.00 0.00 C ATOM 1331 NZ LYS A 83 13.586 -12.758 -0.810 1.00 0.00 N ATOM 0 H LYS A 83 10.475 -10.170 0.862 1.00 0.00 H new ATOM 0 HA LYS A 83 7.973 -9.193 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.045 -11.471 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.452 -10.498 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.750 -12.106 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.539 -13.079 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.415 -11.882 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.595 -10.824 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.227 -12.701 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.815 -13.867 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.201 -13.462 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.560 -12.934 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.960 -11.804 -0.632 1.00 0.00 H new ATOM 1345 N SER A 84 6.398 -10.869 0.709 1.00 0.00 N ATOM 1346 CA SER A 84 5.449 -11.557 1.644 1.00 0.00 C ATOM 1347 C SER A 84 4.202 -12.002 0.867 1.00 0.00 C ATOM 1348 O SER A 84 4.047 -11.680 -0.301 1.00 0.00 O ATOM 1349 CB SER A 84 5.045 -10.596 2.762 1.00 0.00 C ATOM 1350 OG SER A 84 6.125 -10.464 3.678 1.00 0.00 O ATOM 0 H SER A 84 5.971 -10.530 -0.153 1.00 0.00 H new ATOM 0 HA SER A 84 5.935 -12.430 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.785 -9.623 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.160 -10.969 3.277 1.00 0.00 H new ATOM 0 HG SER A 84 6.955 -10.762 3.250 1.00 0.00 H new ATOM 1356 N SER A 85 3.323 -12.741 1.511 1.00 0.00 N ATOM 1357 CA SER A 85 2.074 -13.227 0.835 1.00 0.00 C ATOM 1358 C SER A 85 0.956 -13.373 1.869 1.00 0.00 C ATOM 1359 O SER A 85 0.981 -14.278 2.686 1.00 0.00 O ATOM 1360 CB SER A 85 2.342 -14.586 0.186 1.00 0.00 C ATOM 1361 OG SER A 85 3.068 -15.406 1.092 1.00 0.00 O ATOM 0 H SER A 85 3.420 -13.030 2.484 1.00 0.00 H new ATOM 0 HA SER A 85 1.773 -12.509 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.401 -15.066 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.907 -14.456 -0.737 1.00 0.00 H new ATOM 0 HG SER A 85 2.689 -15.315 1.991 1.00 0.00 H new ATOM 1367 N ASN A 86 -0.019 -12.485 1.833 1.00 0.00 N ATOM 1368 CA ASN A 86 -1.155 -12.553 2.812 1.00 0.00 C ATOM 1369 C ASN A 86 -2.235 -11.536 2.441 1.00 0.00 C ATOM 1370 O ASN A 86 -2.107 -10.805 1.473 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.641 -12.258 4.229 1.00 0.00 C ATOM 1372 CG ASN A 86 0.269 -11.026 4.212 1.00 0.00 C ATOM 1373 OD1 ASN A 86 1.472 -11.149 4.093 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -0.254 -9.836 4.323 1.00 0.00 N ATOM 0 H ASN A 86 -0.074 -11.716 1.165 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.583 -13.555 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.482 -12.090 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.094 -13.119 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.347 -9.012 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.264 -9.730 4.423 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.297 -11.497 3.218 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.426 -10.545 2.957 1.00 0.00 C ATOM 1383 C ARG A 87 -4.101 -9.177 3.567 1.00 0.00 C ATOM 1384 O ARG A 87 -3.003 -8.961 4.060 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.703 -11.099 3.589 1.00 0.00 C ATOM 1386 CG ARG A 87 -6.209 -12.281 2.760 1.00 0.00 C ATOM 1387 CD ARG A 87 -7.698 -12.495 3.031 1.00 0.00 C ATOM 1388 NE ARG A 87 -7.861 -13.474 4.143 1.00 0.00 N ATOM 1389 CZ ARG A 87 -8.976 -14.137 4.270 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -10.075 -13.506 4.580 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -8.992 -15.429 4.088 1.00 0.00 N ATOM 0 H ARG A 87 -3.429 -12.095 4.034 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.567 -10.431 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.507 -11.416 4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.465 -10.321 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.045 -12.091 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.650 -13.182 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.171 -11.549 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.194 -12.862 2.132 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.100 -13.625 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.060 -12.496 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.949 -14.023 4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.132 -15.921 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.865 -15.947 4.188 1.00 0.00 H new ATOM 1405 N ILE A 88 -5.047 -8.253 3.534 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.802 -6.889 4.107 1.00 0.00 C ATOM 1407 C ILE A 88 -6.123 -6.261 4.557 1.00 0.00 C ATOM 1408 O ILE A 88 -7.175 -6.548 4.009 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.154 -5.997 3.046 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.998 -6.019 1.770 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.751 -6.516 2.729 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.454 -4.986 0.780 1.00 0.00 C ATOM 0 H ILE A 88 -5.975 -8.391 3.134 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.138 -6.981 4.967 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.091 -4.977 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.976 -7.013 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.039 -5.799 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.290 -5.880 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.144 -6.501 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.817 -7.537 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.055 -5.002 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.499 -3.993 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.419 -5.226 0.535 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.060 -5.401 5.552 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.289 -4.722 6.071 1.00 0.00 C ATOM 1426 C CYS A 89 -7.286 -3.260 5.614 1.00 0.00 C ATOM 1427 O CYS A 89 -6.342 -2.530 5.867 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.289 -4.778 7.600 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.936 -4.355 8.220 1.00 0.00 S ATOM 0 H CYS A 89 -5.197 -5.140 6.030 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.178 -5.223 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.007 -5.775 7.938 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.549 -4.085 8.000 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.335 -2.840 4.936 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.420 -1.431 4.435 1.00 0.00 C ATOM 1436 C ILE A 90 -9.820 -0.865 4.723 1.00 0.00 C ATOM 1437 O ILE A 90 -10.790 -1.605 4.770 1.00 0.00 O ATOM 1438 CB ILE A 90 -8.153 -1.435 2.919 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.256 -0.008 2.361 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -9.175 -2.337 2.219 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -7.159 0.222 1.319 1.00 0.00 C ATOM 0 H ILE A 90 -9.141 -3.422 4.708 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.681 -0.807 4.938 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.148 -1.815 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.236 0.146 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.160 0.716 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.984 -2.338 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.088 -3.353 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.181 -1.962 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.237 1.236 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.182 0.087 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.276 -0.492 0.504 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.923 0.442 4.896 1.00 0.00 N ATOM 1454 CA ARG A 91 -11.249 1.079 5.156 1.00 0.00 C ATOM 1455 C ARG A 91 -11.778 1.603 3.822 1.00 0.00 C ATOM 1456 O ARG A 91 -11.030 2.184 3.046 1.00 0.00 O ATOM 1457 CB ARG A 91 -11.092 2.230 6.155 1.00 0.00 C ATOM 1458 CG ARG A 91 -12.209 2.160 7.202 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.725 2.767 8.522 1.00 0.00 C ATOM 1460 NE ARG A 91 -12.765 3.694 9.046 1.00 0.00 N ATOM 1461 CZ ARG A 91 -12.760 4.038 10.306 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -11.840 4.846 10.754 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -13.670 3.571 11.116 1.00 0.00 N ATOM 0 H ARG A 91 -9.136 1.090 4.866 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.945 0.357 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.119 2.171 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.129 3.186 5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.088 2.697 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.510 1.124 7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.526 1.978 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.788 3.302 8.368 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.482 4.061 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.127 5.208 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.834 5.116 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.387 2.936 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.664 3.841 12.100 1.00 0.00 H new ATOM 1477 N CYS A 92 -13.043 1.371 3.535 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.607 1.815 2.223 1.00 0.00 C ATOM 1479 C CYS A 92 -14.836 2.704 2.391 1.00 0.00 C ATOM 1480 O CYS A 92 -15.646 2.520 3.285 1.00 0.00 O ATOM 1481 CB CYS A 92 -14.002 0.582 1.415 1.00 0.00 C ATOM 1482 SG CYS A 92 -14.174 1.037 -0.325 1.00 0.00 S ATOM 0 H CYS A 92 -13.702 0.896 4.152 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.840 2.398 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -13.247 -0.197 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.940 0.173 1.790 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.976 3.646 1.486 1.00 0.00 N ATOM 1488 CA GLU A 93 -16.150 4.572 1.478 1.00 0.00 C ATOM 1489 C GLU A 93 -16.249 5.193 0.086 1.00 0.00 C ATOM 1490 O GLU A 93 -15.248 5.591 -0.488 1.00 0.00 O ATOM 1491 CB GLU A 93 -16.000 5.671 2.538 1.00 0.00 C ATOM 1492 CG GLU A 93 -14.569 6.217 2.548 1.00 0.00 C ATOM 1493 CD GLU A 93 -14.541 7.553 3.292 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.932 8.546 2.701 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -14.133 7.560 4.441 1.00 0.00 O ATOM 0 H GLU A 93 -14.307 3.813 0.735 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.056 4.014 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.702 6.479 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.250 5.272 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.900 5.505 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.211 6.349 1.527 1.00 0.00 H new ATOM 1502 N HIS A 94 -17.442 5.244 -0.468 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.635 5.804 -1.849 1.00 0.00 C ATOM 1504 C HIS A 94 -16.952 4.854 -2.845 1.00 0.00 C ATOM 1505 O HIS A 94 -16.426 5.273 -3.866 1.00 0.00 O ATOM 1506 CB HIS A 94 -17.009 7.210 -1.956 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.373 8.038 -0.754 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.605 8.659 -0.625 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.670 8.358 0.378 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.605 9.316 0.550 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.449 9.165 1.202 1.00 0.00 N ATOM 0 H HIS A 94 -18.297 4.918 -0.018 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.699 5.891 -2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.925 7.128 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -17.358 7.702 -2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.664 8.033 0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.438 9.895 0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.193 9.557 2.108 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.944 3.570 -2.532 1.00 0.00 N ATOM 1520 CA GLU A 95 -16.283 2.561 -3.418 1.00 0.00 C ATOM 1521 C GLU A 95 -14.785 2.901 -3.505 1.00 0.00 C ATOM 1522 O GLU A 95 -14.144 2.693 -4.525 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.919 2.606 -4.818 1.00 0.00 C ATOM 1524 CG GLU A 95 -18.436 2.410 -4.709 1.00 0.00 C ATOM 1525 CD GLU A 95 -19.149 3.746 -4.936 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -19.158 4.204 -6.066 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.673 4.286 -3.976 1.00 0.00 O ATOM 0 H GLU A 95 -17.373 3.182 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 95 -16.412 1.558 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.700 3.561 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.487 1.828 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.771 1.679 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.691 2.014 -3.726 1.00 0.00 H new ATOM 1534 N LEU A 96 -14.239 3.450 -2.436 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.799 3.853 -2.422 1.00 0.00 C ATOM 1536 C LEU A 96 -12.098 3.368 -1.128 1.00 0.00 C ATOM 1537 O LEU A 96 -12.236 4.006 -0.097 1.00 0.00 O ATOM 1538 CB LEU A 96 -12.735 5.390 -2.485 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.202 5.846 -3.843 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -13.283 5.651 -4.906 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -11.827 7.328 -3.761 1.00 0.00 C ATOM 0 H LEU A 96 -14.741 3.635 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.290 3.402 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.727 5.809 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.092 5.766 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.323 5.259 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.904 5.976 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.556 4.597 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.161 6.241 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.446 7.661 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.709 7.912 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.059 7.467 -3.000 1.00 0.00 H new ATOM 1553 N PRO A 97 -11.321 2.290 -1.215 1.00 0.00 N ATOM 1554 CA PRO A 97 -10.553 1.784 -0.060 1.00 0.00 C ATOM 1555 C PRO A 97 -9.322 2.677 0.055 1.00 0.00 C ATOM 1556 O PRO A 97 -8.368 2.529 -0.691 1.00 0.00 O ATOM 1557 CB PRO A 97 -10.204 0.344 -0.448 1.00 0.00 C ATOM 1558 CG PRO A 97 -10.293 0.273 -1.991 1.00 0.00 C ATOM 1559 CD PRO A 97 -11.130 1.482 -2.448 1.00 0.00 C ATOM 0 HA PRO A 97 -11.068 1.796 0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -9.204 0.081 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -10.895 -0.361 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.299 0.301 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.758 -0.660 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.614 2.053 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.085 1.167 -2.868 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.395 3.665 0.920 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.287 4.672 1.035 1.00 0.00 C ATOM 1569 C VAL A 98 -7.523 4.592 2.364 1.00 0.00 C ATOM 1570 O VAL A 98 -6.513 5.263 2.517 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.928 6.059 0.919 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.667 6.156 -0.418 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.933 6.267 2.068 1.00 0.00 C ATOM 0 H VAL A 98 -10.179 3.818 1.555 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.560 4.471 0.248 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.153 6.823 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.127 7.140 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.961 6.008 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.440 5.389 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.386 7.255 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.711 5.505 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.414 6.189 3.024 1.00 0.00 H new ATOM 1583 N HIS A 99 -8.001 3.835 3.330 1.00 0.00 N ATOM 1584 CA HIS A 99 -7.296 3.789 4.658 1.00 0.00 C ATOM 1585 C HIS A 99 -6.686 2.415 4.938 1.00 0.00 C ATOM 1586 O HIS A 99 -7.390 1.442 5.134 1.00 0.00 O ATOM 1587 CB HIS A 99 -8.291 4.137 5.763 1.00 0.00 C ATOM 1588 CG HIS A 99 -8.351 5.630 5.935 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -9.409 6.386 5.455 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -7.495 6.522 6.533 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -9.166 7.671 5.771 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -8.012 7.810 6.428 1.00 0.00 N ATOM 0 H HIS A 99 -8.837 3.255 3.259 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.481 4.512 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.279 3.750 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.991 3.665 6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.562 6.263 7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.824 8.490 5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.598 8.674 6.778 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.370 2.357 4.997 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.660 1.078 5.309 1.00 0.00 C ATOM 1602 C PHE A 100 -4.879 0.768 6.798 1.00 0.00 C ATOM 1603 O PHE A 100 -4.172 1.278 7.654 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.160 1.253 5.008 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.395 0.000 5.374 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.689 -1.213 4.741 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.389 0.056 6.347 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.977 -2.371 5.082 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -0.676 -1.100 6.686 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.970 -2.314 6.055 1.00 0.00 C ATOM 0 H PHE A 100 -4.755 3.155 4.839 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.042 0.256 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.019 1.476 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.768 2.102 5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.464 -1.257 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.163 0.992 6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.204 -3.308 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.101 -1.055 7.435 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.421 -3.206 6.318 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.867 -0.052 7.104 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.174 -0.400 8.529 1.00 0.00 C ATOM 1622 C ALA A 101 -5.046 -1.248 9.103 1.00 0.00 C ATOM 1623 O ALA A 101 -4.650 -1.073 10.244 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.484 -1.191 8.595 1.00 0.00 C ATOM 0 H ALA A 101 -6.476 -0.496 6.417 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.272 0.518 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.705 -1.443 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.295 -0.587 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.386 -2.107 8.012 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.533 -2.164 8.313 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.424 -3.049 8.784 1.00 0.00 C ATOM 1632 C GLY A 102 -3.205 -4.181 7.781 1.00 0.00 C ATOM 1633 O GLY A 102 -3.548 -4.061 6.617 1.00 0.00 O ATOM 0 H GLY A 102 -4.839 -2.335 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.508 -2.470 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.666 -3.461 9.764 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.618 -5.269 8.233 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.339 -6.428 7.331 1.00 0.00 C ATOM 1639 C VAL A 103 -2.933 -7.715 7.926 1.00 0.00 C ATOM 1640 O VAL A 103 -3.203 -7.791 9.115 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.819 -6.557 7.170 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.160 -6.788 8.535 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.492 -7.722 6.236 1.00 0.00 C ATOM 0 H VAL A 103 -2.319 -5.400 9.199 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.799 -6.267 6.356 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.432 -5.633 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.919 -6.878 8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.379 -5.946 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.551 -7.704 8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.589 -7.808 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.889 -8.647 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.943 -7.543 5.260 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.128 -8.721 7.095 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.698 -10.023 7.567 1.00 0.00 C ATOM 1655 C GLY A 104 -5.158 -9.831 7.988 1.00 0.00 C ATOM 1656 O GLY A 104 -6.014 -9.558 7.163 1.00 0.00 O ATOM 0 H GLY A 104 -2.912 -8.690 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.634 -10.767 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.115 -10.402 8.407 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.438 -9.980 9.268 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.837 -9.817 9.779 1.00 0.00 C ATOM 1662 C ILE A 105 -6.928 -8.549 10.631 1.00 0.00 C ATOM 1663 O ILE A 105 -5.966 -8.153 11.268 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.217 -11.035 10.630 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -7.060 -12.310 9.796 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -8.672 -10.910 11.091 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -7.059 -13.533 10.716 1.00 0.00 C ATOM 0 H ILE A 105 -4.748 -10.210 9.983 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.523 -9.736 8.936 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.563 -11.082 11.501 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.874 -12.386 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.132 -12.271 9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.938 -11.777 11.695 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.789 -10.004 11.686 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.326 -10.860 10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.947 -14.438 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.230 -13.458 11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.999 -13.575 11.266 1.00 0.00 H new ATOM 1679 N CYS A 106 -8.087 -7.926 10.643 1.00 0.00 N ATOM 1680 CA CYS A 106 -8.286 -6.680 11.447 1.00 0.00 C ATOM 1681 C CYS A 106 -8.680 -7.062 12.889 1.00 0.00 C ATOM 1682 O CYS A 106 -9.262 -8.111 13.095 1.00 0.00 O ATOM 1683 CB CYS A 106 -9.398 -5.835 10.814 1.00 0.00 C ATOM 1684 SG CYS A 106 -8.702 -4.272 10.224 1.00 0.00 S ATOM 0 H CYS A 106 -8.909 -8.234 10.124 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.362 -6.103 11.464 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.856 -6.377 9.987 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -10.185 -5.643 11.544 1.00 0.00 H new ATOM 1689 N PRO A 107 -8.355 -6.201 13.848 1.00 0.00 N ATOM 1690 CA PRO A 107 -8.674 -6.446 15.270 1.00 0.00 C ATOM 1691 C PRO A 107 -10.143 -6.113 15.552 1.00 0.00 C ATOM 1692 O PRO A 107 -10.827 -6.958 16.104 1.00 0.00 O ATOM 1693 CB PRO A 107 -7.749 -5.486 16.021 1.00 0.00 C ATOM 1694 CG PRO A 107 -7.381 -4.362 15.025 1.00 0.00 C ATOM 1695 CD PRO A 107 -7.644 -4.918 13.614 1.00 0.00 C ATOM 1696 OXT PRO A 107 -10.556 -5.016 15.211 1.00 0.00 O ATOM 0 HA PRO A 107 -8.532 -7.485 15.566 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.246 -5.077 16.901 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.855 -6.002 16.371 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.981 -3.471 15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.337 -4.071 15.138 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.249 -4.231 13.023 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.713 -5.073 13.068 1.00 0.00 H new TER 1704 PRO A 107