USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 72 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0266) USER MOD Set 3.1: A 8 MET CE :methyl 169:sc= -3.68! (180deg=-3.91!) USER MOD Set 3.2: A 73 TYR OH : rot 120:sc= -0.157 USER MOD Single : A 1 ALA N :NH3+ -121:sc= -0.264 (180deg=-0.794) USER MOD Single : A 4 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.18) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= 0.402 F(o=-3.2!,f=0.4) USER MOD Single : A 20 MET CE :methyl 133:sc= -0.136 (180deg=-1.64) USER MOD Single : A 23 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.9) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 25 TYR OH : rot -149:sc= 0.056 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.0829 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 52 TYR OH : rot 67:sc= 0.433 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc=-0.00529 (180deg=-0.061) USER MOD Single : A 57 ASN : amide:sc= 0.0355 X(o=0.036,f=0) USER MOD Single : A 60 SER OG : rot -120:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.63) USER MOD Single : A 69 TYR OH : rot -16:sc= -0.473 USER MOD Single : A 70 THR OG1 : rot -60:sc= 0.511 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.69) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 97 ASN : amide:sc= 0.248 K(o=0.25,f=-1.9!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 80:sc= 1.19 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 111 TYR OH : rot 75:sc= 0.495! USER MOD Single : A 112 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.088) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-3.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 42:sc= 0.351 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.197 1.192 3.580 1.00 0.00 N ATOM 2 CA ALA A 1 -7.733 2.452 4.174 1.00 0.00 C ATOM 3 C ALA A 1 -6.211 2.518 4.354 1.00 0.00 C ATOM 4 O ALA A 1 -5.513 1.514 4.491 1.00 0.00 O ATOM 5 CB ALA A 1 -8.388 2.742 5.527 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.707 1.392 2.696 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.379 0.582 3.377 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.834 0.708 4.245 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.034 3.210 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.009 3.685 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.469 2.810 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.154 1.938 6.224 1.00 0.00 H new ATOM 6 N LEU A 2 -5.734 3.761 4.382 1.00 0.00 N ATOM 7 CA LEU A 2 -4.309 4.099 4.433 1.00 0.00 C ATOM 8 C LEU A 2 -3.761 4.327 5.842 1.00 0.00 C ATOM 9 O LEU A 2 -2.715 3.745 6.093 1.00 0.00 O ATOM 10 CB LEU A 2 -4.166 5.300 3.501 1.00 0.00 C ATOM 11 CG LEU A 2 -2.833 5.630 2.842 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.921 6.561 3.626 1.00 0.00 C ATOM 13 CD2 LEU A 2 -2.081 4.394 2.404 1.00 0.00 C ATOM 0 H LEU A 2 -6.340 4.581 4.370 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.692 3.263 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.894 5.171 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.468 6.181 4.067 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.131 6.196 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.002 6.728 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.425 7.514 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.681 6.110 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.139 4.686 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.879 3.765 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.682 3.838 1.684 1.00 0.00 H new ATOM 14 N TRP A 3 -4.378 5.133 6.750 1.00 0.00 N ATOM 15 CA TRP A 3 -3.968 5.140 8.195 1.00 0.00 C ATOM 16 C TRP A 3 -4.125 3.757 8.890 1.00 0.00 C ATOM 17 O TRP A 3 -3.256 3.366 9.674 1.00 0.00 O ATOM 18 CB TRP A 3 -4.669 6.221 9.084 1.00 0.00 C ATOM 19 CG TRP A 3 -6.206 6.020 9.369 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.804 5.140 10.316 1.00 0.00 C ATOM 21 CD2 TRP A 3 -7.250 6.376 8.543 1.00 0.00 C ATOM 22 NE1 TRP A 3 -8.151 4.873 10.026 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.402 5.624 8.904 1.00 0.00 C ATOM 24 CE3 TRP A 3 -7.257 7.181 7.392 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.531 5.619 8.032 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -8.432 7.294 6.667 1.00 0.00 C ATOM 27 CH2 TRP A 3 -9.548 6.491 6.954 1.00 0.00 C ATOM 0 H TRP A 3 -5.140 5.771 6.523 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.912 5.401 8.127 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -4.149 6.263 10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.536 7.192 8.606 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.279 4.724 11.163 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.794 4.263 10.531 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.364 7.701 7.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.358 4.948 8.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -8.491 8.014 5.865 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -10.427 6.553 6.330 1.00 0.00 H new ATOM 28 N GLN A 4 -5.252 3.070 8.610 1.00 0.00 N ATOM 29 CA GLN A 4 -5.578 1.788 9.240 1.00 0.00 C ATOM 30 C GLN A 4 -4.733 0.617 8.704 1.00 0.00 C ATOM 31 O GLN A 4 -4.452 -0.288 9.496 1.00 0.00 O ATOM 32 CB GLN A 4 -7.094 1.491 9.204 1.00 0.00 C ATOM 33 CG GLN A 4 -7.702 1.365 10.616 1.00 0.00 C ATOM 34 CD GLN A 4 -9.176 0.975 10.661 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.526 -0.109 11.127 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.077 1.838 10.219 1.00 0.00 N ATOM 0 H GLN A 4 -5.954 3.392 7.943 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.303 1.889 10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.605 2.286 8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.267 0.567 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.130 0.624 11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.580 2.317 11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.779 2.734 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.069 1.607 10.263 1.00 0.00 H new ATOM 37 N PHE A 5 -4.324 0.632 7.399 1.00 0.00 N ATOM 38 CA PHE A 5 -3.241 -0.265 6.932 1.00 0.00 C ATOM 39 C PHE A 5 -1.839 0.245 7.340 1.00 0.00 C ATOM 40 O PHE A 5 -0.948 -0.573 7.514 1.00 0.00 O ATOM 41 CB PHE A 5 -3.472 -0.794 5.516 1.00 0.00 C ATOM 42 CG PHE A 5 -2.508 -0.498 4.396 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.209 0.817 4.113 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.925 -1.507 3.617 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.344 1.132 3.079 1.00 0.00 C ATOM 46 CE2 PHE A 5 -1.099 -1.178 2.536 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.806 0.147 2.270 1.00 0.00 C ATOM 0 H PHE A 5 -4.718 1.237 6.679 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.280 -1.204 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.546 -1.879 5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.449 -0.430 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.652 1.607 4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.114 -2.544 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.085 2.165 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.691 -1.958 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.165 0.410 1.441 1.00 0.00 H new ATOM 48 N ARG A 6 -1.621 1.545 7.591 1.00 0.00 N ATOM 49 CA ARG A 6 -0.402 2.029 8.280 1.00 0.00 C ATOM 50 C ARG A 6 -0.267 1.746 9.798 1.00 0.00 C ATOM 51 O ARG A 6 0.334 2.511 10.559 1.00 0.00 O ATOM 52 CB ARG A 6 -0.253 3.511 7.920 1.00 0.00 C ATOM 53 CG ARG A 6 0.653 3.690 6.706 1.00 0.00 C ATOM 54 CD ARG A 6 0.285 3.129 5.341 1.00 0.00 C ATOM 55 NE ARG A 6 1.366 2.298 4.744 1.00 0.00 N ATOM 56 CZ ARG A 6 1.733 2.273 3.442 1.00 0.00 C ATOM 57 NH1 ARG A 6 1.247 3.083 2.502 1.00 0.00 N ATOM 58 NH2 ARG A 6 2.658 1.412 3.065 1.00 0.00 N ATOM 0 H ARG A 6 -2.271 2.286 7.329 1.00 0.00 H new ATOM 0 HA ARG A 6 0.433 1.430 7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.234 3.939 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.159 4.056 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.799 4.762 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.622 3.266 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.619 2.528 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.053 3.953 4.666 1.00 0.00 H new ATOM 0 HE ARG A 6 1.881 1.687 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.547 3.784 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.575 3.002 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.080 0.784 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.952 1.374 2.089 1.00 0.00 H new ATOM 59 N SER A 7 -0.855 0.621 10.198 1.00 0.00 N ATOM 60 CA SER A 7 -0.642 0.031 11.546 1.00 0.00 C ATOM 61 C SER A 7 0.240 -1.222 11.386 1.00 0.00 C ATOM 62 O SER A 7 1.464 -1.164 11.297 1.00 0.00 O ATOM 63 CB SER A 7 -1.962 -0.030 12.328 1.00 0.00 C ATOM 64 OG SER A 7 -2.480 1.280 12.552 1.00 0.00 O ATOM 0 H SER A 7 -1.492 0.084 9.610 1.00 0.00 H new ATOM 0 HA SER A 7 -0.058 0.650 12.226 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.690 -0.624 11.775 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.801 -0.530 13.283 1.00 0.00 H new ATOM 0 HG SER A 7 -3.322 1.218 13.050 1.00 0.00 H new ATOM 65 N MET A 8 -0.468 -2.336 11.334 1.00 0.00 N ATOM 66 CA MET A 8 -0.147 -3.533 10.546 1.00 0.00 C ATOM 67 C MET A 8 0.872 -3.578 9.400 1.00 0.00 C ATOM 68 O MET A 8 1.537 -4.599 9.338 1.00 0.00 O ATOM 69 CB MET A 8 -1.546 -3.903 10.017 1.00 0.00 C ATOM 70 CG MET A 8 -2.275 -2.789 9.267 1.00 0.00 C ATOM 71 SD MET A 8 -1.738 -3.065 7.572 1.00 0.00 S ATOM 72 CE MET A 8 -3.236 -3.863 7.217 1.00 0.00 C ATOM 0 H MET A 8 -1.331 -2.445 11.866 1.00 0.00 H new ATOM 0 HA MET A 8 0.410 -4.190 11.213 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.450 -4.763 9.354 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.164 -4.217 10.859 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.357 -2.868 9.370 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.992 -1.801 9.629 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.323 -4.011 6.141 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.261 -4.830 7.719 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.067 -3.250 7.567 1.00 0.00 H new ATOM 73 N ILE A 9 1.025 -2.595 8.483 1.00 0.00 N ATOM 74 CA ILE A 9 2.158 -2.590 7.470 1.00 0.00 C ATOM 75 C ILE A 9 3.537 -2.736 8.173 1.00 0.00 C ATOM 76 O ILE A 9 4.321 -3.576 7.764 1.00 0.00 O ATOM 77 CB ILE A 9 2.029 -1.342 6.542 1.00 0.00 C ATOM 78 CG1 ILE A 9 0.897 -1.542 5.507 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.289 -0.834 5.795 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.337 -2.237 4.241 1.00 0.00 C ATOM 0 H ILE A 9 0.397 -1.795 8.406 1.00 0.00 H new ATOM 0 HA ILE A 9 2.085 -3.462 6.820 1.00 0.00 H new ATOM 0 HB ILE A 9 1.816 -0.557 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.096 -2.121 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.479 -0.569 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.029 0.038 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.056 -0.560 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.669 -1.622 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.486 -2.339 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.116 -1.649 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.727 -3.225 4.485 1.00 0.00 H new ATOM 81 N LYS A 10 3.732 -1.957 9.223 1.00 0.00 N ATOM 82 CA LYS A 10 4.833 -1.984 10.194 1.00 0.00 C ATOM 83 C LYS A 10 4.757 -3.046 11.319 1.00 0.00 C ATOM 84 O LYS A 10 5.728 -3.177 12.059 1.00 0.00 O ATOM 85 CB LYS A 10 4.637 -0.521 10.620 1.00 0.00 C ATOM 86 CG LYS A 10 5.518 -0.028 11.734 1.00 0.00 C ATOM 87 CD LYS A 10 4.833 -0.255 13.073 1.00 0.00 C ATOM 88 CE LYS A 10 5.486 0.364 14.305 1.00 0.00 C ATOM 89 NZ LYS A 10 6.760 -0.282 14.673 1.00 0.00 N ATOM 0 H LYS A 10 3.066 -1.217 9.446 1.00 0.00 H new ATOM 0 HA LYS A 10 5.815 -2.286 9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.799 0.114 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.598 -0.389 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.474 -0.550 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.731 1.033 11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.816 0.129 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.757 -1.330 13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.663 1.424 14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.796 0.298 15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.154 0.182 15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.593 -1.288 14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.433 -0.197 13.885 1.00 0.00 H new ATOM 90 N CYS A 11 3.627 -3.745 11.493 1.00 0.00 N ATOM 91 CA CYS A 11 3.606 -5.105 12.139 1.00 0.00 C ATOM 92 C CYS A 11 4.270 -6.137 11.154 1.00 0.00 C ATOM 93 O CYS A 11 5.196 -6.843 11.548 1.00 0.00 O ATOM 94 CB CYS A 11 2.165 -5.493 12.495 1.00 0.00 C ATOM 95 SG CYS A 11 2.001 -7.006 13.438 1.00 0.00 S ATOM 0 H CYS A 11 2.708 -3.410 11.203 1.00 0.00 H new ATOM 0 HA CYS A 11 4.175 -5.099 13.069 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.715 -4.678 13.062 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.593 -5.593 11.573 1.00 0.00 H new ATOM 96 N ALA A 12 3.825 -6.107 9.878 1.00 0.00 N ATOM 97 CA ALA A 12 4.485 -6.700 8.696 1.00 0.00 C ATOM 98 C ALA A 12 6.001 -6.497 8.527 1.00 0.00 C ATOM 99 O ALA A 12 6.685 -7.357 7.968 1.00 0.00 O ATOM 100 CB ALA A 12 3.640 -6.334 7.464 1.00 0.00 C ATOM 0 H ALA A 12 2.950 -5.644 9.633 1.00 0.00 H new ATOM 0 HA ALA A 12 4.500 -7.779 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.098 -6.756 6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.634 -6.736 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.588 -5.250 7.367 1.00 0.00 H new ATOM 101 N ILE A 13 6.525 -5.397 9.049 1.00 0.00 N ATOM 102 CA ILE A 13 7.956 -5.133 9.172 1.00 0.00 C ATOM 103 C ILE A 13 8.208 -5.398 10.715 1.00 0.00 C ATOM 104 O ILE A 13 7.384 -4.985 11.532 1.00 0.00 O ATOM 105 CB ILE A 13 8.127 -3.623 8.820 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.407 -3.041 7.582 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.575 -3.165 8.705 1.00 0.00 C ATOM 108 CD1 ILE A 13 7.377 -3.862 6.321 1.00 0.00 C ATOM 0 H ILE A 13 5.949 -4.637 9.411 1.00 0.00 H new ATOM 0 HA ILE A 13 8.628 -5.719 8.545 1.00 0.00 H new ATOM 0 HB ILE A 13 7.619 -3.229 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.376 -2.830 7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.874 -2.085 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.602 -2.104 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.085 -3.330 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.075 -3.733 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.837 -3.318 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.397 -4.053 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.875 -4.810 6.516 1.00 0.00 H new ATOM 109 N PRO A 14 9.271 -6.039 11.229 1.00 0.00 N ATOM 110 CA PRO A 14 9.655 -5.962 12.726 1.00 0.00 C ATOM 111 C PRO A 14 9.680 -4.477 13.184 1.00 0.00 C ATOM 112 O PRO A 14 8.875 -4.070 14.025 1.00 0.00 O ATOM 113 CB PRO A 14 10.954 -6.788 12.788 1.00 0.00 C ATOM 114 CG PRO A 14 10.834 -7.679 11.517 1.00 0.00 C ATOM 115 CD PRO A 14 10.315 -6.693 10.450 1.00 0.00 C ATOM 0 HA PRO A 14 8.957 -6.384 13.449 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.841 -6.155 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.016 -7.383 13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.794 -8.111 11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.144 -8.509 11.669 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.083 -5.999 10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.926 -7.197 9.565 1.00 0.00 H new ATOM 116 N GLY A 15 10.478 -3.659 12.475 1.00 0.00 N ATOM 117 CA GLY A 15 9.879 -2.467 11.838 1.00 0.00 C ATOM 118 C GLY A 15 9.708 -1.149 12.562 1.00 0.00 C ATOM 119 O GLY A 15 9.959 -1.050 13.767 1.00 0.00 O ATOM 0 H GLY A 15 11.480 -3.785 12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.474 -2.258 10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.888 -2.764 11.495 1.00 0.00 H new ATOM 120 N SER A 16 9.326 -0.107 11.770 1.00 0.00 N ATOM 121 CA SER A 16 9.354 1.304 12.291 1.00 0.00 C ATOM 122 C SER A 16 8.266 2.250 11.708 1.00 0.00 C ATOM 123 O SER A 16 7.268 2.497 12.386 1.00 0.00 O ATOM 124 CB SER A 16 10.798 1.871 12.193 1.00 0.00 C ATOM 125 OG SER A 16 10.899 3.147 12.819 1.00 0.00 O ATOM 0 H SER A 16 9.006 -0.202 10.806 1.00 0.00 H new ATOM 0 HA SER A 16 9.071 1.257 13.343 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.496 1.177 12.663 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.088 1.954 11.145 1.00 0.00 H new ATOM 0 HG SER A 16 11.819 3.477 12.743 1.00 0.00 H new ATOM 126 N HIS A 17 8.482 2.820 10.516 1.00 0.00 N ATOM 127 CA HIS A 17 7.498 3.667 9.778 1.00 0.00 C ATOM 128 C HIS A 17 6.837 2.698 8.741 1.00 0.00 C ATOM 129 O HIS A 17 7.584 2.085 7.966 1.00 0.00 O ATOM 130 CB HIS A 17 8.051 4.939 9.023 1.00 0.00 C ATOM 131 CG HIS A 17 9.546 5.077 8.926 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.220 4.102 8.229 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 10.409 5.902 9.634 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 11.570 4.233 8.391 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 11.590 5.317 9.231 1.00 0.00 N flip ATOM 0 H HIS A 17 9.363 2.711 10.014 1.00 0.00 H new ATOM 0 HA HIS A 17 6.826 4.103 10.518 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.644 4.937 8.012 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.660 5.826 9.522 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.216 6.737 10.292 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.383 3.653 7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.481 5.691 9.558 1.00 0.00 H new ATOM 136 N PRO A 18 5.497 2.527 8.648 1.00 0.00 N ATOM 137 CA PRO A 18 4.876 1.677 7.587 1.00 0.00 C ATOM 138 C PRO A 18 5.111 2.175 6.153 1.00 0.00 C ATOM 139 O PRO A 18 5.509 1.369 5.312 1.00 0.00 O ATOM 140 CB PRO A 18 3.417 1.522 8.002 1.00 0.00 C ATOM 141 CG PRO A 18 3.181 2.436 9.214 1.00 0.00 C ATOM 142 CD PRO A 18 4.505 3.139 9.540 1.00 0.00 C ATOM 0 HA PRO A 18 5.356 0.700 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.754 1.795 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.199 0.485 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.404 3.168 8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.837 1.854 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.432 4.213 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.777 3.000 10.586 1.00 0.00 H new ATOM 143 N LEU A 19 4.975 3.489 5.895 1.00 0.00 N ATOM 144 CA LEU A 19 5.600 4.142 4.731 1.00 0.00 C ATOM 145 C LEU A 19 7.090 4.337 4.979 1.00 0.00 C ATOM 146 O LEU A 19 7.724 3.340 5.300 1.00 0.00 O ATOM 147 CB LEU A 19 4.742 5.391 4.405 1.00 0.00 C ATOM 148 CG LEU A 19 3.723 5.102 3.330 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.651 6.200 3.423 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.299 5.187 1.926 1.00 0.00 C ATOM 0 H LEU A 19 4.433 4.123 6.482 1.00 0.00 H new ATOM 0 HA LEU A 19 5.599 3.541 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.233 5.729 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.391 6.205 4.082 1.00 0.00 H new ATOM 0 HG LEU A 19 3.348 4.091 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.890 6.031 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.189 6.174 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.113 7.174 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.517 4.969 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.687 6.191 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.106 4.462 1.819 1.00 0.00 H new ATOM 151 N MET A 20 7.482 5.599 4.900 1.00 0.00 N ATOM 152 CA MET A 20 8.790 6.307 4.857 1.00 0.00 C ATOM 153 C MET A 20 10.149 5.595 4.775 1.00 0.00 C ATOM 154 O MET A 20 11.111 6.075 4.172 1.00 0.00 O ATOM 155 CB MET A 20 8.549 7.285 6.030 1.00 0.00 C ATOM 156 CG MET A 20 7.444 8.341 5.785 1.00 0.00 C ATOM 157 SD MET A 20 6.657 8.714 7.370 1.00 0.00 S ATOM 158 CE MET A 20 5.629 7.225 7.570 1.00 0.00 C ATOM 0 H MET A 20 6.747 6.304 4.855 1.00 0.00 H new ATOM 0 HA MET A 20 8.992 6.720 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.288 6.708 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.483 7.803 6.250 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.872 9.245 5.351 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.708 7.964 5.075 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.748 6.834 8.580 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.583 7.480 7.400 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.940 6.469 6.849 1.00 0.00 H new ATOM 159 N ASP A 21 10.086 4.368 5.248 1.00 0.00 N ATOM 160 CA ASP A 21 10.696 3.191 4.577 1.00 0.00 C ATOM 161 C ASP A 21 10.195 2.931 3.125 1.00 0.00 C ATOM 162 O ASP A 21 10.889 2.182 2.440 1.00 0.00 O ATOM 163 CB ASP A 21 10.629 1.934 5.482 1.00 0.00 C ATOM 164 CG ASP A 21 11.393 0.700 4.990 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.753 0.861 5.072 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.840 -0.312 4.560 1.00 0.00 O ATOM 0 H ASP A 21 9.609 4.135 6.119 1.00 0.00 H new ATOM 0 HA ASP A 21 11.747 3.443 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.010 2.202 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.582 1.660 5.609 1.00 0.00 H new ATOM 167 N PHE A 22 9.071 3.507 2.644 1.00 0.00 N ATOM 168 CA PHE A 22 8.522 3.201 1.319 1.00 0.00 C ATOM 169 C PHE A 22 7.960 4.476 0.594 1.00 0.00 C ATOM 170 O PHE A 22 7.934 4.430 -0.632 1.00 0.00 O ATOM 171 CB PHE A 22 7.450 2.116 1.487 1.00 0.00 C ATOM 172 CG PHE A 22 7.872 0.754 2.079 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.744 0.534 3.467 1.00 0.00 C ATOM 174 CD2 PHE A 22 8.132 -0.348 1.249 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.559 -0.755 3.952 1.00 0.00 C ATOM 176 CE2 PHE A 22 8.138 -1.632 1.782 1.00 0.00 C ATOM 177 CZ PHE A 22 7.785 -1.831 3.110 1.00 0.00 C ATOM 0 H PHE A 22 8.526 4.193 3.166 1.00 0.00 H new ATOM 0 HA PHE A 22 9.320 2.834 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.661 2.523 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.009 1.930 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.790 1.367 4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.327 -0.198 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.243 -0.916 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.417 -2.473 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.686 -2.837 3.491 1.00 0.00 H new ATOM 178 N ASN A 23 7.553 5.581 1.281 1.00 0.00 N ATOM 179 CA ASN A 23 7.130 6.899 0.644 1.00 0.00 C ATOM 180 C ASN A 23 7.937 7.344 -0.600 1.00 0.00 C ATOM 181 O ASN A 23 7.393 7.687 -1.646 1.00 0.00 O ATOM 182 CB ASN A 23 7.185 7.947 1.795 1.00 0.00 C ATOM 183 CG ASN A 23 6.879 9.419 1.522 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.640 9.864 0.403 1.00 0.00 O ATOM 185 ND2 ASN A 23 6.932 10.239 2.557 1.00 0.00 N ATOM 0 H ASN A 23 7.503 5.600 2.300 1.00 0.00 H new ATOM 0 HA ASN A 23 6.132 6.785 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.492 7.613 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.186 7.901 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.775 11.238 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.130 9.873 3.488 1.00 0.00 H new ATOM 186 N ASN A 24 9.240 7.319 -0.403 1.00 0.00 N ATOM 187 CA ASN A 24 10.225 7.432 -1.471 1.00 0.00 C ATOM 188 C ASN A 24 11.050 6.131 -1.342 1.00 0.00 C ATOM 189 O ASN A 24 12.012 6.095 -0.578 1.00 0.00 O ATOM 190 CB ASN A 24 11.099 8.689 -1.275 1.00 0.00 C ATOM 191 CG ASN A 24 10.552 9.973 -1.896 1.00 0.00 C ATOM 192 OD1 ASN A 24 9.355 10.145 -2.134 1.00 0.00 O ATOM 193 ND2 ASN A 24 11.428 10.929 -2.143 1.00 0.00 N ATOM 0 H ASN A 24 9.657 7.218 0.522 1.00 0.00 H new ATOM 0 HA ASN A 24 9.780 7.542 -2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.235 8.852 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.085 8.494 -1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.116 11.818 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.417 10.779 -1.943 1.00 0.00 H new ATOM 194 N TYR A 25 10.658 5.077 -2.081 1.00 0.00 N ATOM 195 CA TYR A 25 11.530 3.872 -2.273 1.00 0.00 C ATOM 196 C TYR A 25 12.285 4.227 -3.582 1.00 0.00 C ATOM 197 O TYR A 25 12.871 5.317 -3.656 1.00 0.00 O ATOM 198 CB TYR A 25 10.628 2.621 -2.270 1.00 0.00 C ATOM 199 CG TYR A 25 11.267 1.311 -1.795 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.536 1.140 -0.433 1.00 0.00 C ATOM 201 CD2 TYR A 25 11.410 0.208 -2.648 1.00 0.00 C ATOM 202 CE1 TYR A 25 11.874 -0.109 0.086 1.00 0.00 C ATOM 203 CE2 TYR A 25 11.765 -1.040 -2.131 1.00 0.00 C ATOM 204 CZ TYR A 25 11.963 -1.207 -0.760 1.00 0.00 C ATOM 205 OH TYR A 25 12.182 -2.450 -0.244 1.00 0.00 O ATOM 0 H TYR A 25 9.757 5.021 -2.555 1.00 0.00 H new ATOM 0 HA TYR A 25 12.264 3.633 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.764 2.826 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.254 2.469 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.481 1.992 0.229 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.245 0.324 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.066 -0.222 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.887 -1.881 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 25 12.688 -2.987 -0.888 1.00 0.00 H new ATOM 206 N GLY A 26 12.253 3.367 -4.615 1.00 0.00 N ATOM 207 CA GLY A 26 12.595 3.761 -6.000 1.00 0.00 C ATOM 208 C GLY A 26 11.959 5.073 -6.458 1.00 0.00 C ATOM 209 O GLY A 26 12.629 6.103 -6.398 1.00 0.00 O ATOM 0 H GLY A 26 11.992 2.386 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.678 3.848 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.286 2.965 -6.678 1.00 0.00 H new ATOM 210 N CYS A 27 10.681 5.013 -6.850 1.00 0.00 N ATOM 211 CA CYS A 27 9.900 6.237 -7.137 1.00 0.00 C ATOM 212 C CYS A 27 8.997 6.749 -5.978 1.00 0.00 C ATOM 213 O CYS A 27 9.031 7.946 -5.681 1.00 0.00 O ATOM 214 CB CYS A 27 9.033 6.090 -8.400 1.00 0.00 C ATOM 215 SG CYS A 27 8.819 7.675 -9.226 1.00 0.00 S ATOM 0 H CYS A 27 10.164 4.143 -6.977 1.00 0.00 H new ATOM 0 HA CYS A 27 10.678 6.986 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.498 5.380 -9.084 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.059 5.682 -8.131 1.00 0.00 H new ATOM 216 N TYR A 28 8.172 5.864 -5.388 1.00 0.00 N ATOM 217 CA TYR A 28 6.964 6.292 -4.647 1.00 0.00 C ATOM 218 C TYR A 28 6.366 5.405 -3.516 1.00 0.00 C ATOM 219 O TYR A 28 5.469 5.890 -2.827 1.00 0.00 O ATOM 220 CB TYR A 28 5.783 6.511 -5.659 1.00 0.00 C ATOM 221 CG TYR A 28 5.544 5.563 -6.848 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.352 4.171 -6.736 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.551 6.123 -8.128 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.155 3.386 -7.873 1.00 0.00 C ATOM 225 CE2 TYR A 28 5.413 5.328 -9.262 1.00 0.00 C ATOM 226 CZ TYR A 28 5.169 3.969 -9.133 1.00 0.00 C ATOM 227 OH TYR A 28 4.946 3.215 -10.238 1.00 0.00 O ATOM 0 H TYR A 28 8.316 4.854 -5.408 1.00 0.00 H new ATOM 0 HA TYR A 28 7.355 7.171 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.864 6.519 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.905 7.512 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.357 3.707 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.665 7.191 -8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.991 2.323 -7.773 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.496 5.770 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 28 4.525 3.766 -10.931 1.00 0.00 H new ATOM 228 N CYS A 29 6.830 4.166 -3.400 1.00 0.00 N ATOM 229 CA CYS A 29 6.110 3.021 -2.804 1.00 0.00 C ATOM 230 C CYS A 29 5.059 3.267 -1.711 1.00 0.00 C ATOM 231 O CYS A 29 5.353 3.246 -0.519 1.00 0.00 O ATOM 232 CB CYS A 29 7.074 1.861 -2.512 1.00 0.00 C ATOM 233 SG CYS A 29 6.223 0.281 -2.684 1.00 0.00 S ATOM 0 H CYS A 29 7.760 3.909 -3.731 1.00 0.00 H new ATOM 0 HA CYS A 29 5.423 2.734 -3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.921 1.902 -3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.475 1.958 -1.503 1.00 0.00 H new ATOM 234 N GLY A 30 3.823 3.537 -2.147 1.00 0.00 N ATOM 235 CA GLY A 30 2.742 3.917 -1.241 1.00 0.00 C ATOM 236 C GLY A 30 2.405 5.402 -1.309 1.00 0.00 C ATOM 237 O GLY A 30 1.304 5.709 -1.780 1.00 0.00 O ATOM 0 H GLY A 30 3.549 3.498 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.852 3.336 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.023 3.660 -0.220 1.00 0.00 H new ATOM 238 N LEU A 31 3.283 6.332 -0.850 1.00 0.00 N ATOM 239 CA LEU A 31 2.925 7.749 -0.763 1.00 0.00 C ATOM 240 C LEU A 31 3.345 8.555 -1.962 1.00 0.00 C ATOM 241 O LEU A 31 2.538 9.069 -2.743 1.00 0.00 O ATOM 242 CB LEU A 31 3.046 8.288 0.675 1.00 0.00 C ATOM 243 CG LEU A 31 3.212 9.787 0.911 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.106 10.693 0.375 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.405 10.068 2.418 1.00 0.00 C ATOM 0 H LEU A 31 4.231 6.117 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 31 1.854 7.895 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.156 7.970 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.897 7.789 1.139 1.00 0.00 H new ATOM 0 HG LEU A 31 4.095 10.045 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.342 11.732 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.027 10.571 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.158 10.424 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.523 11.140 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.534 9.713 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.295 9.549 2.774 1.00 0.00 H new ATOM 246 N GLY A 32 4.652 8.728 -1.954 1.00 0.00 N ATOM 247 CA GLY A 32 5.215 9.960 -2.493 1.00 0.00 C ATOM 248 C GLY A 32 5.179 10.259 -4.001 1.00 0.00 C ATOM 249 O GLY A 32 4.177 10.790 -4.485 1.00 0.00 O ATOM 0 H GLY A 32 5.330 8.057 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.710 10.786 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.261 9.993 -2.187 1.00 0.00 H new ATOM 250 N GLY A 33 6.280 9.950 -4.713 1.00 0.00 N ATOM 251 CA GLY A 33 6.519 10.384 -6.112 1.00 0.00 C ATOM 252 C GLY A 33 5.604 9.899 -7.249 1.00 0.00 C ATOM 253 O GLY A 33 4.421 9.623 -7.028 1.00 0.00 O ATOM 0 H GLY A 33 7.040 9.386 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.491 11.474 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.536 10.090 -6.370 1.00 0.00 H new ATOM 254 N SER A 34 6.143 9.851 -8.492 1.00 0.00 N ATOM 255 CA SER A 34 5.318 9.564 -9.702 1.00 0.00 C ATOM 256 C SER A 34 6.175 9.081 -10.907 1.00 0.00 C ATOM 257 O SER A 34 7.272 9.591 -11.156 1.00 0.00 O ATOM 258 CB SER A 34 4.527 10.845 -10.090 1.00 0.00 C ATOM 259 OG SER A 34 3.609 10.597 -11.150 1.00 0.00 O ATOM 0 H SER A 34 7.132 10.005 -8.687 1.00 0.00 H new ATOM 0 HA SER A 34 4.633 8.752 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.986 11.216 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.225 11.627 -10.389 1.00 0.00 H new ATOM 0 HG SER A 34 3.128 11.423 -11.366 1.00 0.00 H new ATOM 260 N GLY A 35 5.612 8.121 -11.660 1.00 0.00 N ATOM 261 CA GLY A 35 6.234 7.564 -12.877 1.00 0.00 C ATOM 262 C GLY A 35 6.015 6.043 -12.947 1.00 0.00 C ATOM 263 O GLY A 35 4.885 5.576 -13.117 1.00 0.00 O ATOM 0 H GLY A 35 4.706 7.706 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.808 8.040 -13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.302 7.784 -12.880 1.00 0.00 H new ATOM 264 N THR A 36 7.116 5.297 -12.814 1.00 0.00 N ATOM 265 CA THR A 36 7.125 3.819 -12.729 1.00 0.00 C ATOM 266 C THR A 36 8.158 3.393 -11.611 1.00 0.00 C ATOM 267 O THR A 36 9.058 4.171 -11.283 1.00 0.00 O ATOM 268 CB THR A 36 7.343 3.077 -14.088 1.00 0.00 C ATOM 269 OG1 THR A 36 7.654 3.941 -15.184 1.00 0.00 O ATOM 270 CG2 THR A 36 6.092 2.260 -14.451 1.00 0.00 C ATOM 0 H THR A 36 8.049 5.705 -12.761 1.00 0.00 H new ATOM 0 HA THR A 36 6.122 3.495 -12.450 1.00 0.00 H new ATOM 0 HB THR A 36 8.208 2.433 -13.931 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.778 3.407 -15.996 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.255 1.747 -15.399 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.898 1.525 -13.670 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.235 2.928 -14.542 1.00 0.00 H new ATOM 271 N PRO A 37 8.068 2.193 -10.993 1.00 0.00 N ATOM 272 CA PRO A 37 8.843 1.838 -9.758 1.00 0.00 C ATOM 273 C PRO A 37 10.234 1.187 -10.017 1.00 0.00 C ATOM 274 O PRO A 37 10.878 1.454 -11.035 1.00 0.00 O ATOM 275 CB PRO A 37 7.808 0.820 -9.181 1.00 0.00 C ATOM 276 CG PRO A 37 7.452 -0.008 -10.424 1.00 0.00 C ATOM 277 CD PRO A 37 7.186 1.092 -11.442 1.00 0.00 C ATOM 0 HA PRO A 37 9.132 2.681 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.237 0.205 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.936 1.319 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.267 -0.664 -10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.578 -0.640 -10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.429 0.770 -12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.138 1.392 -11.445 1.00 0.00 H new ATOM 278 N VAL A 38 10.650 0.311 -9.078 1.00 0.00 N ATOM 279 CA VAL A 38 11.909 -0.453 -9.130 1.00 0.00 C ATOM 280 C VAL A 38 11.683 -1.955 -8.734 1.00 0.00 C ATOM 281 O VAL A 38 11.906 -2.882 -9.514 1.00 0.00 O ATOM 282 CB VAL A 38 13.030 0.247 -8.286 1.00 0.00 C ATOM 283 CG1 VAL A 38 13.223 1.696 -8.752 1.00 0.00 C ATOM 284 CG2 VAL A 38 12.893 0.311 -6.744 1.00 0.00 C ATOM 0 H VAL A 38 10.102 0.112 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 38 12.263 -0.463 -10.161 1.00 0.00 H new ATOM 0 HB VAL A 38 13.870 -0.421 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.004 2.169 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.512 1.705 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.290 2.245 -8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.755 0.829 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.983 0.850 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.845 -0.701 -6.341 1.00 0.00 H new ATOM 285 N ASP A 39 11.238 -2.078 -7.487 1.00 0.00 N ATOM 286 CA ASP A 39 10.985 -3.353 -6.765 1.00 0.00 C ATOM 287 C ASP A 39 9.670 -4.053 -7.103 1.00 0.00 C ATOM 288 O ASP A 39 8.833 -3.494 -7.796 1.00 0.00 O ATOM 289 CB ASP A 39 11.338 -3.218 -5.279 1.00 0.00 C ATOM 290 CG ASP A 39 12.815 -3.458 -4.907 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.701 -3.132 -5.905 1.00 0.00 O ATOM 292 OD2 ASP A 39 13.152 -3.904 -3.811 1.00 0.00 O ATOM 0 H ASP A 39 11.029 -1.262 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 39 11.682 -4.091 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.060 -2.217 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.724 -3.921 -4.716 1.00 0.00 H new ATOM 293 N GLU A 40 9.557 -5.340 -6.693 1.00 0.00 N ATOM 294 CA GLU A 40 8.297 -6.106 -6.856 1.00 0.00 C ATOM 295 C GLU A 40 7.177 -5.582 -5.965 1.00 0.00 C ATOM 296 O GLU A 40 6.018 -5.604 -6.374 1.00 0.00 O ATOM 297 CB GLU A 40 8.461 -7.602 -6.545 1.00 0.00 C ATOM 298 CG GLU A 40 9.375 -8.307 -7.528 1.00 0.00 C ATOM 299 CD GLU A 40 9.019 -9.715 -7.956 1.00 0.00 C ATOM 300 OE1 GLU A 40 7.890 -10.203 -7.885 1.00 0.00 O ATOM 301 OE2 GLU A 40 10.111 -10.382 -8.448 1.00 0.00 O ATOM 0 H GLU A 40 10.313 -5.864 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 40 8.038 -5.973 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.860 -7.718 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.482 -8.081 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.435 -7.692 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.374 -8.334 -7.092 1.00 0.00 H new ATOM 302 N LEU A 41 7.546 -5.150 -4.749 1.00 0.00 N ATOM 303 CA LEU A 41 6.684 -4.360 -3.876 1.00 0.00 C ATOM 304 C LEU A 41 6.469 -2.898 -4.325 1.00 0.00 C ATOM 305 O LEU A 41 5.460 -2.305 -3.969 1.00 0.00 O ATOM 306 CB LEU A 41 7.099 -4.677 -2.436 1.00 0.00 C ATOM 307 CG LEU A 41 8.096 -3.760 -1.756 1.00 0.00 C ATOM 308 CD1 LEU A 41 8.685 -4.346 -0.489 1.00 0.00 C ATOM 309 CD2 LEU A 41 9.298 -3.692 -2.668 1.00 0.00 C ATOM 0 H LEU A 41 8.463 -5.345 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 41 5.635 -4.648 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.196 -4.696 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.513 -5.685 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 41 7.576 -2.826 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.390 -3.638 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.886 -4.547 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.203 -5.275 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.053 -3.042 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.712 -4.692 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.997 -3.294 -3.637 1.00 0.00 H new ATOM 310 N ASP A 42 7.391 -2.331 -5.127 1.00 0.00 N ATOM 311 CA ASP A 42 7.212 -1.050 -5.826 1.00 0.00 C ATOM 312 C ASP A 42 6.334 -1.195 -7.094 1.00 0.00 C ATOM 313 O ASP A 42 5.618 -0.250 -7.408 1.00 0.00 O ATOM 314 CB ASP A 42 8.567 -0.348 -5.927 1.00 0.00 C ATOM 315 CG ASP A 42 8.615 1.189 -5.961 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.382 1.788 -5.962 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.673 1.812 -5.989 1.00 0.00 O ATOM 0 H ASP A 42 8.298 -2.762 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 42 6.600 -0.348 -5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.171 -0.676 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.058 -0.712 -6.829 1.00 0.00 H new ATOM 318 N ARG A 43 6.318 -2.357 -7.776 1.00 0.00 N ATOM 319 CA ARG A 43 5.237 -2.738 -8.702 1.00 0.00 C ATOM 320 C ARG A 43 3.904 -3.009 -7.910 1.00 0.00 C ATOM 321 O ARG A 43 2.844 -2.690 -8.451 1.00 0.00 O ATOM 322 CB ARG A 43 5.443 -4.083 -9.426 1.00 0.00 C ATOM 323 CG ARG A 43 6.734 -4.484 -10.069 1.00 0.00 C ATOM 324 CD ARG A 43 7.625 -3.460 -10.689 1.00 0.00 C ATOM 325 NE ARG A 43 6.988 -2.867 -11.847 1.00 0.00 N ATOM 326 CZ ARG A 43 7.639 -2.370 -12.919 1.00 0.00 C ATOM 327 NH1 ARG A 43 8.965 -2.338 -13.042 1.00 0.00 N ATOM 328 NH2 ARG A 43 6.920 -1.876 -13.908 1.00 0.00 N ATOM 0 H ARG A 43 7.056 -3.057 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 43 5.215 -1.904 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.206 -4.862 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.683 -4.132 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.321 -5.005 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.494 -5.212 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.861 -2.685 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.569 -3.920 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 43 5.969 -2.822 -11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.555 -2.705 -12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.390 -1.947 -13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.902 -1.877 -13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.382 -1.493 -14.733 1.00 0.00 H new ATOM 329 N CYS A 44 3.942 -3.605 -6.668 1.00 0.00 N ATOM 330 CA CYS A 44 2.718 -3.612 -5.837 1.00 0.00 C ATOM 331 C CYS A 44 2.304 -2.168 -5.370 1.00 0.00 C ATOM 332 O CYS A 44 1.188 -2.058 -4.890 1.00 0.00 O ATOM 333 CB CYS A 44 2.806 -4.555 -4.638 1.00 0.00 C ATOM 334 SG CYS A 44 3.188 -6.261 -5.060 1.00 0.00 S ATOM 0 H CYS A 44 4.759 -4.055 -6.255 1.00 0.00 H new ATOM 0 HA CYS A 44 1.936 -3.996 -6.491 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.569 -4.183 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.858 -4.530 -4.101 1.00 0.00 H new ATOM 335 N CYS A 45 3.176 -1.140 -5.503 1.00 0.00 N ATOM 336 CA CYS A 45 2.846 0.279 -5.399 1.00 0.00 C ATOM 337 C CYS A 45 2.498 0.963 -6.749 1.00 0.00 C ATOM 338 O CYS A 45 1.742 1.934 -6.647 1.00 0.00 O ATOM 339 CB CYS A 45 3.998 1.041 -4.757 1.00 0.00 C ATOM 340 SG CYS A 45 4.269 0.533 -3.057 1.00 0.00 S ATOM 0 H CYS A 45 4.166 -1.296 -5.693 1.00 0.00 H new ATOM 0 HA CYS A 45 1.947 0.315 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.908 0.878 -5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.788 2.110 -4.788 1.00 0.00 H new ATOM 341 N GLU A 46 2.963 0.567 -7.990 1.00 0.00 N ATOM 342 CA GLU A 46 2.292 1.081 -9.234 1.00 0.00 C ATOM 343 C GLU A 46 0.775 0.704 -9.258 1.00 0.00 C ATOM 344 O GLU A 46 -0.051 1.514 -9.663 1.00 0.00 O ATOM 345 CB GLU A 46 3.059 0.718 -10.528 1.00 0.00 C ATOM 346 CG GLU A 46 2.775 -0.634 -11.189 1.00 0.00 C ATOM 347 CD GLU A 46 3.607 -0.913 -12.434 1.00 0.00 C ATOM 348 OE1 GLU A 46 3.882 -0.066 -13.283 1.00 0.00 O ATOM 349 OE2 GLU A 46 3.977 -2.231 -12.515 1.00 0.00 O ATOM 0 H GLU A 46 3.748 -0.065 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 46 2.330 2.170 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.856 1.496 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.125 0.761 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.955 -1.425 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.719 -0.680 -11.455 1.00 0.00 H new ATOM 350 N THR A 47 0.481 -0.505 -8.758 1.00 0.00 N ATOM 351 CA THR A 47 -0.859 -1.018 -8.480 1.00 0.00 C ATOM 352 C THR A 47 -1.414 -0.641 -7.076 1.00 0.00 C ATOM 353 O THR A 47 -2.633 -0.660 -6.974 1.00 0.00 O ATOM 354 CB THR A 47 -0.721 -2.561 -8.682 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.417 -2.848 -10.050 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.953 -3.387 -8.338 1.00 0.00 C ATOM 0 H THR A 47 1.210 -1.180 -8.527 1.00 0.00 H new ATOM 0 HA THR A 47 -1.598 -0.569 -9.144 1.00 0.00 H new ATOM 0 HB THR A 47 0.070 -2.844 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.330 -3.817 -10.169 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.745 -4.442 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.209 -3.239 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.789 -3.072 -8.963 1.00 0.00 H new ATOM 357 N HIS A 48 -0.661 -0.290 -6.009 1.00 0.00 N ATOM 358 CA HIS A 48 -1.288 0.358 -4.797 1.00 0.00 C ATOM 359 C HIS A 48 -1.294 1.908 -5.052 1.00 0.00 C ATOM 360 O HIS A 48 -0.556 2.700 -4.465 1.00 0.00 O ATOM 361 CB HIS A 48 -0.653 -0.077 -3.464 1.00 0.00 C ATOM 362 CG HIS A 48 -1.659 0.018 -2.303 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.622 1.020 -1.341 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.749 -0.850 -2.070 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.712 0.652 -0.620 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.518 -0.346 -1.061 1.00 0.00 N ATOM 0 H HIS A 48 0.347 -0.431 -5.945 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.315 0.015 -4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.290 -1.101 -3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.212 0.551 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.943 -1.767 -2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.938 1.156 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.438 -0.637 -0.732 1.00 0.00 H new ATOM 367 N ASP A 49 -2.178 2.215 -6.003 1.00 0.00 N ATOM 368 CA ASP A 49 -2.287 3.434 -6.800 1.00 0.00 C ATOM 369 C ASP A 49 -3.262 2.953 -7.967 1.00 0.00 C ATOM 370 O ASP A 49 -4.322 3.559 -8.081 1.00 0.00 O ATOM 371 CB ASP A 49 -0.980 3.879 -7.467 1.00 0.00 C ATOM 372 CG ASP A 49 -0.054 4.792 -6.691 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.403 5.484 -5.734 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.222 4.760 -7.193 1.00 0.00 O ATOM 0 H ASP A 49 -2.907 1.548 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.601 4.275 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.419 2.982 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.237 4.381 -8.400 1.00 0.00 H new ATOM 375 N ASN A 50 -2.909 1.915 -8.796 1.00 0.00 N ATOM 376 CA ASN A 50 -3.748 1.451 -9.931 1.00 0.00 C ATOM 377 C ASN A 50 -4.913 0.457 -9.646 1.00 0.00 C ATOM 378 O ASN A 50 -5.902 0.468 -10.382 1.00 0.00 O ATOM 379 CB ASN A 50 -2.979 1.096 -11.221 1.00 0.00 C ATOM 380 CG ASN A 50 -2.196 2.254 -11.861 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.626 3.407 -11.878 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.029 1.973 -12.412 1.00 0.00 N ATOM 0 H ASN A 50 -2.042 1.389 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.278 2.385 -10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.282 0.288 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.689 0.711 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.482 2.712 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.675 1.017 -12.397 1.00 0.00 H new ATOM 383 N CYS A 51 -4.807 -0.386 -8.623 1.00 0.00 N ATOM 384 CA CYS A 51 -5.989 -0.950 -7.936 1.00 0.00 C ATOM 385 C CYS A 51 -6.458 -0.082 -6.713 1.00 0.00 C ATOM 386 O CYS A 51 -7.521 -0.411 -6.175 1.00 0.00 O ATOM 387 CB CYS A 51 -5.684 -2.374 -7.399 1.00 0.00 C ATOM 388 SG CYS A 51 -4.590 -2.287 -5.960 1.00 0.00 S ATOM 0 H CYS A 51 -3.915 -0.701 -8.242 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.781 -0.969 -8.685 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.614 -2.873 -7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.218 -2.972 -8.182 1.00 0.00 H new ATOM 389 N TYR A 52 -5.701 0.968 -6.254 1.00 0.00 N ATOM 390 CA TYR A 52 -6.086 1.675 -4.983 1.00 0.00 C ATOM 391 C TYR A 52 -7.195 2.709 -5.223 1.00 0.00 C ATOM 392 O TYR A 52 -8.148 2.803 -4.445 1.00 0.00 O ATOM 393 CB TYR A 52 -4.887 2.322 -4.257 1.00 0.00 C ATOM 394 CG TYR A 52 -4.986 2.662 -2.766 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.037 2.177 -1.991 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.960 3.400 -2.125 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.026 2.342 -0.620 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.999 3.623 -0.741 1.00 0.00 C ATOM 399 CZ TYR A 52 -5.032 3.064 0.010 1.00 0.00 C ATOM 400 OH TYR A 52 -5.070 3.169 1.361 1.00 0.00 O ATOM 0 H TYR A 52 -4.866 1.328 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.472 0.899 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.034 1.654 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.648 3.245 -4.785 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.864 1.670 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.141 3.794 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.812 1.897 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.238 4.221 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.908 2.290 1.762 1.00 0.00 H new ATOM 401 N ARG A 53 -7.041 3.459 -6.315 1.00 0.00 N ATOM 402 CA ARG A 53 -8.052 4.318 -6.878 1.00 0.00 C ATOM 403 C ARG A 53 -9.484 3.763 -6.996 1.00 0.00 C ATOM 404 O ARG A 53 -10.423 4.469 -6.638 1.00 0.00 O ATOM 405 CB ARG A 53 -7.357 4.903 -8.130 1.00 0.00 C ATOM 406 CG ARG A 53 -7.867 4.317 -9.409 1.00 0.00 C ATOM 407 CD ARG A 53 -7.128 3.132 -9.920 1.00 0.00 C ATOM 408 NE ARG A 53 -6.214 3.600 -10.980 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.382 3.380 -12.299 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.397 2.696 -12.821 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.488 3.878 -13.129 1.00 0.00 N ATOM 0 H ARG A 53 -6.169 3.476 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.356 5.113 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.502 5.983 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.284 4.727 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.911 4.037 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.846 5.092 -10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.569 2.653 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.821 2.388 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.392 4.131 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.112 2.299 -12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.460 2.569 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.698 4.412 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.586 3.729 -14.133 1.00 0.00 H new ATOM 412 N ASP A 54 -9.609 2.543 -7.564 1.00 0.00 N ATOM 413 CA ASP A 54 -10.869 2.108 -8.265 1.00 0.00 C ATOM 414 C ASP A 54 -12.150 1.813 -7.439 1.00 0.00 C ATOM 415 O ASP A 54 -13.206 1.476 -7.962 1.00 0.00 O ATOM 416 CB ASP A 54 -10.444 0.939 -9.156 1.00 0.00 C ATOM 417 CG ASP A 54 -11.404 0.498 -10.249 1.00 0.00 C ATOM 418 OD1 ASP A 54 -11.270 1.248 -11.390 1.00 0.00 O ATOM 419 OD2 ASP A 54 -12.209 -0.423 -10.115 1.00 0.00 O ATOM 0 H ASP A 54 -8.871 1.839 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.246 2.976 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.498 1.204 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.251 0.080 -8.513 1.00 0.00 H new ATOM 420 N ALA A 55 -11.960 1.985 -6.146 1.00 0.00 N ATOM 421 CA ALA A 55 -12.972 2.262 -5.124 1.00 0.00 C ATOM 422 C ALA A 55 -13.937 3.431 -5.433 1.00 0.00 C ATOM 423 O ALA A 55 -15.133 3.352 -5.151 1.00 0.00 O ATOM 424 CB ALA A 55 -12.128 2.718 -3.908 1.00 0.00 C ATOM 0 H ALA A 55 -11.025 1.932 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.600 1.379 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.789 2.954 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.448 1.918 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.552 3.604 -4.176 1.00 0.00 H new ATOM 425 N LYS A 56 -13.369 4.505 -5.995 1.00 0.00 N ATOM 426 CA LYS A 56 -14.074 5.617 -6.590 1.00 0.00 C ATOM 427 C LYS A 56 -15.102 5.249 -7.686 1.00 0.00 C ATOM 428 O LYS A 56 -16.216 5.763 -7.719 1.00 0.00 O ATOM 429 CB LYS A 56 -12.939 6.617 -6.865 1.00 0.00 C ATOM 430 CG LYS A 56 -12.679 6.867 -8.313 1.00 0.00 C ATOM 431 CD LYS A 56 -12.000 5.808 -9.123 1.00 0.00 C ATOM 432 CE LYS A 56 -10.645 6.166 -9.714 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.645 7.326 -10.627 1.00 0.00 N ATOM 0 H LYS A 56 -12.356 4.615 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.822 6.093 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.180 7.564 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.024 6.247 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.637 7.080 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.078 7.774 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.875 4.926 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.664 5.526 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.952 6.367 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.261 5.300 -10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.725 7.390 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.398 7.210 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.812 8.196 -10.083 1.00 0.00 H new ATOM 434 N ASN A 57 -14.646 4.361 -8.566 1.00 0.00 N ATOM 435 CA ASN A 57 -15.424 3.817 -9.703 1.00 0.00 C ATOM 436 C ASN A 57 -16.411 2.682 -9.338 1.00 0.00 C ATOM 437 O ASN A 57 -17.463 2.583 -9.970 1.00 0.00 O ATOM 438 CB ASN A 57 -14.366 3.304 -10.713 1.00 0.00 C ATOM 439 CG ASN A 57 -14.863 2.760 -12.046 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.784 3.295 -12.664 1.00 0.00 O ATOM 441 ND2 ASN A 57 -14.240 1.711 -12.543 1.00 0.00 N ATOM 0 H ASN A 57 -13.700 3.982 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.067 4.603 -10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.677 4.122 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.790 2.518 -10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.519 1.334 -13.449 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.478 1.276 -12.022 1.00 0.00 H new ATOM 442 N LEU A 58 -15.994 1.852 -8.380 1.00 0.00 N ATOM 443 CA LEU A 58 -16.602 0.587 -7.943 1.00 0.00 C ATOM 444 C LEU A 58 -18.023 0.206 -8.319 1.00 0.00 C ATOM 445 O LEU A 58 -18.968 1.001 -8.336 1.00 0.00 O ATOM 446 CB LEU A 58 -16.192 0.481 -6.465 1.00 0.00 C ATOM 447 CG LEU A 58 -16.115 -0.827 -5.713 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.357 -1.861 -6.503 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.326 -0.592 -4.414 1.00 0.00 C ATOM 0 H LEU A 58 -15.152 2.062 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.220 -0.222 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.206 0.939 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.883 1.115 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.130 -1.176 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.317 -2.793 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.861 -2.034 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.344 -1.506 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.259 -1.525 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.323 -0.241 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.836 0.157 -3.809 1.00 0.00 H new ATOM 450 N ASP A 59 -18.113 -1.108 -8.570 1.00 0.00 N ATOM 451 CA ASP A 59 -19.387 -1.849 -8.689 1.00 0.00 C ATOM 452 C ASP A 59 -20.318 -1.681 -7.442 1.00 0.00 C ATOM 453 O ASP A 59 -21.544 -1.744 -7.552 1.00 0.00 O ATOM 454 CB ASP A 59 -18.931 -3.350 -8.650 1.00 0.00 C ATOM 455 CG ASP A 59 -18.458 -3.917 -9.979 1.00 0.00 C ATOM 456 OD1 ASP A 59 -19.221 -4.368 -10.833 1.00 0.00 O ATOM 457 OD2 ASP A 59 -17.094 -3.862 -10.111 1.00 0.00 O ATOM 0 H ASP A 59 -17.292 -1.700 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.931 -1.509 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.125 -3.449 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.762 -3.956 -8.289 1.00 0.00 H new ATOM 458 N SER A 60 -19.657 -1.537 -6.290 1.00 0.00 N ATOM 459 CA SER A 60 -20.277 -1.416 -4.980 1.00 0.00 C ATOM 460 C SER A 60 -20.237 0.052 -4.531 1.00 0.00 C ATOM 461 O SER A 60 -21.159 0.462 -3.820 1.00 0.00 O ATOM 462 CB SER A 60 -19.432 -2.348 -4.103 1.00 0.00 C ATOM 463 OG SER A 60 -20.150 -2.776 -2.957 1.00 0.00 O ATOM 0 H SER A 60 -18.638 -1.501 -6.249 1.00 0.00 H new ATOM 0 HA SER A 60 -21.330 -1.694 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.123 -3.216 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.523 -1.832 -3.793 1.00 0.00 H new ATOM 0 HG SER A 60 -19.675 -2.491 -2.148 1.00 0.00 H new ATOM 464 N CYS A 61 -19.193 0.829 -4.946 1.00 0.00 N ATOM 465 CA CYS A 61 -19.093 2.248 -4.565 1.00 0.00 C ATOM 466 C CYS A 61 -18.903 3.147 -5.805 1.00 0.00 C ATOM 467 O CYS A 61 -17.798 3.299 -6.329 1.00 0.00 O ATOM 468 CB CYS A 61 -17.997 2.356 -3.501 1.00 0.00 C ATOM 469 SG CYS A 61 -18.803 2.447 -1.886 1.00 0.00 S ATOM 0 H CYS A 61 -18.429 0.493 -5.533 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.018 2.620 -4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.332 1.493 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.384 3.241 -3.672 1.00 0.00 H new ATOM 470 N LYS A 62 -20.005 3.776 -6.245 1.00 0.00 N ATOM 471 CA LYS A 62 -20.025 4.637 -7.458 1.00 0.00 C ATOM 472 C LYS A 62 -19.248 5.994 -7.384 1.00 0.00 C ATOM 473 O LYS A 62 -18.877 6.499 -8.447 1.00 0.00 O ATOM 474 CB LYS A 62 -21.493 4.911 -7.897 1.00 0.00 C ATOM 475 CG LYS A 62 -22.244 3.654 -8.387 1.00 0.00 C ATOM 476 CD LYS A 62 -23.670 3.984 -8.854 1.00 0.00 C ATOM 477 CE LYS A 62 -24.484 2.756 -9.308 1.00 0.00 C ATOM 478 NZ LYS A 62 -24.019 2.166 -10.579 1.00 0.00 N ATOM 0 H LYS A 62 -20.909 3.708 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.476 4.049 -8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -22.038 5.344 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -21.491 5.655 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -21.690 3.197 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -22.286 2.920 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -24.202 4.478 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -23.615 4.695 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -24.441 1.995 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -25.530 3.045 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -24.613 1.347 -10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -24.086 2.876 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.030 1.859 -10.478 1.00 0.00 H new ATOM 479 N PHE A 63 -19.003 6.559 -6.188 1.00 0.00 N ATOM 480 CA PHE A 63 -18.147 7.765 -6.008 1.00 0.00 C ATOM 481 C PHE A 63 -17.167 7.726 -4.780 1.00 0.00 C ATOM 482 O PHE A 63 -16.230 8.528 -4.762 1.00 0.00 O ATOM 483 CB PHE A 63 -18.982 9.081 -6.042 1.00 0.00 C ATOM 484 CG PHE A 63 -19.731 9.460 -4.759 1.00 0.00 C ATOM 485 CD1 PHE A 63 -21.009 8.955 -4.485 1.00 0.00 C ATOM 486 CD2 PHE A 63 -19.093 10.248 -3.787 1.00 0.00 C ATOM 487 CE1 PHE A 63 -21.619 9.204 -3.253 1.00 0.00 C ATOM 488 CE2 PHE A 63 -19.698 10.488 -2.556 1.00 0.00 C ATOM 489 CZ PHE A 63 -20.960 9.964 -2.288 1.00 0.00 C ATOM 0 H PHE A 63 -19.388 6.199 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 63 -17.486 7.752 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -18.312 9.901 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -19.710 9.000 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -21.526 8.370 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -18.122 10.673 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -22.602 8.807 -3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -19.189 11.080 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 63 -21.428 10.146 -1.332 1.00 0.00 H new ATOM 490 N LEU A 64 -17.404 6.844 -3.784 1.00 0.00 N ATOM 491 CA LEU A 64 -16.868 6.960 -2.413 1.00 0.00 C ATOM 492 C LEU A 64 -15.344 7.138 -2.285 1.00 0.00 C ATOM 493 O LEU A 64 -14.532 6.528 -2.983 1.00 0.00 O ATOM 494 CB LEU A 64 -17.415 5.856 -1.470 1.00 0.00 C ATOM 495 CG LEU A 64 -18.937 5.804 -1.187 1.00 0.00 C ATOM 496 CD1 LEU A 64 -19.396 6.896 -0.210 1.00 0.00 C ATOM 497 CD2 LEU A 64 -19.846 5.909 -2.413 1.00 0.00 C ATOM 0 H LEU A 64 -17.985 6.016 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 64 -17.258 7.920 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.124 4.892 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.904 5.957 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 64 -19.047 4.807 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -20.471 6.812 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.876 6.776 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -19.168 7.877 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -20.888 5.862 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -19.663 6.856 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -19.635 5.085 -3.094 1.00 0.00 H new ATOM 498 N VAL A 65 -14.970 7.722 -1.146 1.00 0.00 N ATOM 499 CA VAL A 65 -15.074 9.213 -1.056 1.00 0.00 C ATOM 500 C VAL A 65 -13.761 9.847 -1.563 1.00 0.00 C ATOM 501 O VAL A 65 -13.775 10.444 -2.643 1.00 0.00 O ATOM 502 CB VAL A 65 -15.520 9.601 0.391 1.00 0.00 C ATOM 503 CG1 VAL A 65 -15.422 11.107 0.708 1.00 0.00 C ATOM 504 CG2 VAL A 65 -16.975 9.180 0.692 1.00 0.00 C ATOM 0 H VAL A 65 -14.615 7.244 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 65 -15.845 9.622 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.813 9.058 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.751 11.285 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.389 11.436 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -16.057 11.666 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -17.235 9.472 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -17.649 9.671 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -17.070 8.099 0.590 1.00 0.00 H new ATOM 505 N ASP A 66 -12.648 9.701 -0.809 1.00 0.00 N ATOM 506 CA ASP A 66 -11.317 10.186 -1.247 1.00 0.00 C ATOM 507 C ASP A 66 -10.733 9.118 -2.207 1.00 0.00 C ATOM 508 O ASP A 66 -10.355 8.017 -1.795 1.00 0.00 O ATOM 509 CB ASP A 66 -10.432 10.442 -0.010 1.00 0.00 C ATOM 510 CG ASP A 66 -9.096 11.117 -0.333 1.00 0.00 C ATOM 511 OD1 ASP A 66 -9.200 12.484 -0.363 1.00 0.00 O ATOM 512 OD2 ASP A 66 -8.056 10.496 -0.548 1.00 0.00 O ATOM 0 H ASP A 66 -12.644 9.251 0.106 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.376 11.135 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.982 11.065 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.237 9.492 0.488 1.00 0.00 H new ATOM 513 N ASN A 67 -10.706 9.503 -3.488 1.00 0.00 N ATOM 514 CA ASN A 67 -10.334 8.619 -4.614 1.00 0.00 C ATOM 515 C ASN A 67 -8.990 7.823 -4.476 1.00 0.00 C ATOM 516 O ASN A 67 -9.105 6.596 -4.531 1.00 0.00 O ATOM 517 CB ASN A 67 -10.407 9.354 -5.982 1.00 0.00 C ATOM 518 CG ASN A 67 -11.743 10.007 -6.375 1.00 0.00 C ATOM 519 OD1 ASN A 67 -12.747 9.979 -5.661 1.00 0.00 O ATOM 520 ND2 ASN A 67 -11.781 10.622 -7.544 1.00 0.00 N ATOM 0 H ASN A 67 -10.944 10.450 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.101 7.846 -4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.641 10.129 -5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.142 8.639 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.641 11.073 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.950 10.645 -8.135 1.00 0.00 H new ATOM 521 N PRO A 68 -7.763 8.382 -4.264 1.00 0.00 N ATOM 522 CA PRO A 68 -6.504 7.572 -4.230 1.00 0.00 C ATOM 523 C PRO A 68 -6.161 6.754 -2.958 1.00 0.00 C ATOM 524 O PRO A 68 -5.465 5.754 -3.110 1.00 0.00 O ATOM 525 CB PRO A 68 -5.410 8.649 -4.505 1.00 0.00 C ATOM 526 CG PRO A 68 -5.989 9.940 -3.885 1.00 0.00 C ATOM 527 CD PRO A 68 -7.492 9.837 -4.203 1.00 0.00 C ATOM 0 HA PRO A 68 -6.599 6.758 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.459 8.378 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.226 8.767 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.807 9.988 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.544 10.833 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.094 10.320 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.731 10.325 -5.148 1.00 0.00 H new ATOM 528 N TYR A 69 -6.569 7.187 -1.754 1.00 0.00 N ATOM 529 CA TYR A 69 -6.227 6.545 -0.479 1.00 0.00 C ATOM 530 C TYR A 69 -7.580 6.686 0.359 1.00 0.00 C ATOM 531 O TYR A 69 -8.245 7.726 0.289 1.00 0.00 O ATOM 532 CB TYR A 69 -5.158 7.309 0.375 1.00 0.00 C ATOM 533 CG TYR A 69 -3.678 7.570 -0.080 1.00 0.00 C ATOM 534 CD1 TYR A 69 -3.039 6.969 -1.183 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.907 8.505 0.649 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.822 7.455 -1.680 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.689 8.991 0.153 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.181 8.503 -1.041 1.00 0.00 C ATOM 539 OH TYR A 69 -0.063 9.052 -1.586 1.00 0.00 O ATOM 0 H TYR A 69 -7.159 8.011 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.835 5.547 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.586 8.289 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.093 6.777 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.498 6.114 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.264 8.852 1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.384 7.012 -2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.146 9.746 0.702 1.00 0.00 H new ATOM 0 HH TYR A 69 0.299 8.448 -2.268 1.00 0.00 H new ATOM 540 N THR A 70 -7.919 5.708 1.205 1.00 0.00 N ATOM 541 CA THR A 70 -8.825 5.894 2.349 1.00 0.00 C ATOM 542 C THR A 70 -10.251 5.351 2.155 1.00 0.00 C ATOM 543 O THR A 70 -11.149 6.138 1.837 1.00 0.00 O ATOM 544 CB THR A 70 -8.801 7.236 3.165 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.518 8.309 2.563 1.00 0.00 O ATOM 546 CG2 THR A 70 -7.386 7.707 3.502 1.00 0.00 C ATOM 0 H THR A 70 -7.570 4.754 1.116 1.00 0.00 H new ATOM 0 HA THR A 70 -8.299 5.227 3.032 1.00 0.00 H new ATOM 0 HB THR A 70 -9.320 6.972 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.130 8.510 1.686 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.437 8.638 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.883 6.948 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.828 7.871 2.580 1.00 0.00 H new ATOM 547 N GLU A 71 -10.478 4.032 2.381 1.00 0.00 N ATOM 548 CA GLU A 71 -11.851 3.492 2.557 1.00 0.00 C ATOM 549 C GLU A 71 -12.000 2.761 3.914 1.00 0.00 C ATOM 550 O GLU A 71 -12.512 3.391 4.846 1.00 0.00 O ATOM 551 CB GLU A 71 -12.462 2.721 1.362 1.00 0.00 C ATOM 552 CG GLU A 71 -12.885 3.642 0.205 1.00 0.00 C ATOM 553 CD GLU A 71 -14.241 4.307 0.409 1.00 0.00 C ATOM 554 OE1 GLU A 71 -15.305 3.776 0.096 1.00 0.00 O ATOM 555 OE2 GLU A 71 -14.133 5.549 0.980 1.00 0.00 O ATOM 0 H GLU A 71 -9.740 3.331 2.445 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.484 4.379 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.735 1.996 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.329 2.157 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.128 4.415 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.911 3.062 -0.717 1.00 0.00 H new ATOM 556 N SER A 72 -11.608 1.469 4.044 1.00 0.00 N ATOM 557 CA SER A 72 -12.002 0.665 5.244 1.00 0.00 C ATOM 558 C SER A 72 -11.075 -0.536 5.614 1.00 0.00 C ATOM 559 O SER A 72 -10.273 -1.001 4.803 1.00 0.00 O ATOM 560 CB SER A 72 -13.421 0.123 4.970 1.00 0.00 C ATOM 561 OG SER A 72 -14.118 -0.179 6.173 1.00 0.00 O ATOM 0 H SER A 72 -11.038 0.968 3.362 1.00 0.00 H new ATOM 0 HA SER A 72 -11.930 1.337 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.986 0.859 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.354 -0.774 4.355 1.00 0.00 H new ATOM 0 HG SER A 72 -15.081 -0.206 5.995 1.00 0.00 H new ATOM 562 N TYR A 73 -11.256 -1.026 6.857 1.00 0.00 N ATOM 563 CA TYR A 73 -10.397 -1.977 7.554 1.00 0.00 C ATOM 564 C TYR A 73 -11.061 -2.272 8.967 1.00 0.00 C ATOM 565 O TYR A 73 -11.731 -1.452 9.602 1.00 0.00 O ATOM 566 CB TYR A 73 -9.062 -1.264 7.949 1.00 0.00 C ATOM 567 CG TYR A 73 -7.893 -1.775 7.166 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.270 -2.942 7.599 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.551 -1.227 5.953 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.389 -3.627 6.781 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.699 -1.913 5.111 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.126 -3.121 5.504 1.00 0.00 C ATOM 573 OH TYR A 73 -5.254 -3.769 4.690 1.00 0.00 O ATOM 0 H TYR A 73 -12.055 -0.746 7.426 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.251 -2.854 6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.164 -0.191 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.876 -1.410 9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.478 -3.319 8.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.946 -0.266 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.914 -4.535 7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.474 -1.508 4.135 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.716 -4.050 3.873 1.00 0.00 H new ATOM 574 N SER A 74 -10.648 -3.447 9.426 1.00 0.00 N ATOM 575 CA SER A 74 -10.932 -4.040 10.756 1.00 0.00 C ATOM 576 C SER A 74 -10.058 -5.328 10.841 1.00 0.00 C ATOM 577 O SER A 74 -10.513 -6.434 10.530 1.00 0.00 O ATOM 578 CB SER A 74 -12.439 -4.314 10.773 1.00 0.00 C ATOM 579 OG SER A 74 -12.889 -4.888 11.985 1.00 0.00 O ATOM 0 H SER A 74 -10.068 -4.061 8.854 1.00 0.00 H new ATOM 0 HA SER A 74 -10.692 -3.414 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.973 -3.380 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.689 -4.981 9.948 1.00 0.00 H new ATOM 0 HG SER A 74 -13.856 -5.038 11.937 1.00 0.00 H new ATOM 580 N TYR A 75 -8.788 -5.169 11.223 1.00 0.00 N ATOM 581 CA TYR A 75 -7.716 -6.145 10.968 1.00 0.00 C ATOM 582 C TYR A 75 -7.376 -7.038 12.175 1.00 0.00 C ATOM 583 O TYR A 75 -8.254 -7.394 12.968 1.00 0.00 O ATOM 584 CB TYR A 75 -6.575 -5.347 10.259 1.00 0.00 C ATOM 585 CG TYR A 75 -5.891 -4.217 11.038 1.00 0.00 C ATOM 586 CD1 TYR A 75 -6.482 -2.966 11.340 1.00 0.00 C ATOM 587 CD2 TYR A 75 -4.654 -4.508 11.582 1.00 0.00 C ATOM 588 CE1 TYR A 75 -5.882 -2.113 12.271 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.059 -3.667 12.519 1.00 0.00 C ATOM 590 CZ TYR A 75 -4.681 -2.480 12.884 1.00 0.00 C ATOM 591 OH TYR A 75 -4.137 -1.683 13.846 1.00 0.00 O ATOM 0 H TYR A 75 -8.466 -4.343 11.728 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.016 -6.944 10.290 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.806 -6.059 9.961 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.986 -4.920 9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.398 -2.670 10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.139 -5.406 11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.347 -1.170 12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.112 -3.938 12.963 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.303 -2.084 14.170 1.00 0.00 H new ATOM 592 N SER A 76 -6.101 -7.463 12.235 1.00 0.00 N ATOM 593 CA SER A 76 -5.743 -8.730 12.903 1.00 0.00 C ATOM 594 C SER A 76 -4.488 -8.906 13.798 1.00 0.00 C ATOM 595 O SER A 76 -4.513 -9.808 14.640 1.00 0.00 O ATOM 596 CB SER A 76 -5.367 -9.621 11.645 1.00 0.00 C ATOM 597 OG SER A 76 -5.481 -11.012 11.898 1.00 0.00 O ATOM 0 H SER A 76 -5.311 -6.957 11.836 1.00 0.00 H new ATOM 0 HA SER A 76 -6.568 -8.918 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.016 -9.355 10.811 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.345 -9.395 11.339 1.00 0.00 H new ATOM 0 HG SER A 76 -5.240 -11.512 11.091 1.00 0.00 H new ATOM 598 N CYS A 77 -3.386 -8.155 13.584 1.00 0.00 N ATOM 599 CA CYS A 77 -2.061 -8.833 13.537 1.00 0.00 C ATOM 600 C CYS A 77 -1.480 -9.605 14.725 1.00 0.00 C ATOM 601 O CYS A 77 -1.778 -9.330 15.890 1.00 0.00 O ATOM 602 CB CYS A 77 -1.015 -7.893 12.908 1.00 0.00 C ATOM 603 SG CYS A 77 0.104 -7.131 14.111 1.00 0.00 S ATOM 0 H CYS A 77 -3.374 -7.144 13.448 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.320 -9.696 12.924 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.426 -8.454 12.183 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.532 -7.106 12.358 1.00 0.00 H new ATOM 604 N SER A 78 -0.648 -10.606 14.356 1.00 0.00 N ATOM 605 CA SER A 78 -0.058 -11.562 15.324 1.00 0.00 C ATOM 606 C SER A 78 1.420 -11.187 15.556 1.00 0.00 C ATOM 607 O SER A 78 1.744 -10.098 16.038 1.00 0.00 O ATOM 608 CB SER A 78 -0.466 -12.979 14.834 1.00 0.00 C ATOM 609 OG SER A 78 -0.090 -13.982 15.773 1.00 0.00 O ATOM 0 H SER A 78 -0.368 -10.774 13.390 1.00 0.00 H new ATOM 0 HA SER A 78 -0.431 -11.532 16.348 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.544 -13.014 14.674 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.006 -13.183 13.873 1.00 0.00 H new ATOM 0 HG SER A 78 -0.361 -14.862 15.438 1.00 0.00 H new ATOM 610 N ASN A 79 2.270 -12.129 15.186 1.00 0.00 N ATOM 611 CA ASN A 79 3.728 -11.970 14.991 1.00 0.00 C ATOM 612 C ASN A 79 4.155 -10.720 14.133 1.00 0.00 C ATOM 613 O ASN A 79 5.058 -9.968 14.499 1.00 0.00 O ATOM 614 CB ASN A 79 4.183 -13.268 14.216 1.00 0.00 C ATOM 615 CG ASN A 79 4.387 -14.523 15.064 1.00 0.00 C ATOM 616 OD1 ASN A 79 4.537 -14.487 16.286 1.00 0.00 O ATOM 617 ND2 ASN A 79 4.420 -15.676 14.420 1.00 0.00 N ATOM 0 H ASN A 79 1.960 -13.083 15.000 1.00 0.00 H new ATOM 0 HA ASN A 79 4.189 -11.823 15.968 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.439 -13.489 13.451 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.117 -13.048 13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.570 -16.544 14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.295 -15.699 13.408 1.00 0.00 H new ATOM 618 N THR A 80 3.456 -10.612 13.007 1.00 0.00 N ATOM 619 CA THR A 80 3.674 -9.683 11.890 1.00 0.00 C ATOM 620 C THR A 80 2.416 -9.683 10.886 1.00 0.00 C ATOM 621 O THR A 80 2.191 -8.700 10.185 1.00 0.00 O ATOM 622 CB THR A 80 4.936 -10.015 11.014 1.00 0.00 C ATOM 623 OG1 THR A 80 4.838 -11.299 10.400 1.00 0.00 O ATOM 624 CG2 THR A 80 6.286 -9.974 11.714 1.00 0.00 C ATOM 0 H THR A 80 2.655 -11.220 12.833 1.00 0.00 H new ATOM 0 HA THR A 80 3.820 -8.716 12.372 1.00 0.00 H new ATOM 0 HB THR A 80 4.917 -9.200 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.641 -11.467 9.863 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.073 -10.221 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.459 -8.974 12.113 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.295 -10.697 12.530 1.00 0.00 H new ATOM 625 N GLU A 81 1.681 -10.803 10.848 1.00 0.00 N ATOM 626 CA GLU A 81 0.757 -11.200 9.770 1.00 0.00 C ATOM 627 C GLU A 81 -0.698 -10.812 9.954 1.00 0.00 C ATOM 628 O GLU A 81 -1.252 -10.933 11.049 1.00 0.00 O ATOM 629 CB GLU A 81 0.838 -12.766 9.762 1.00 0.00 C ATOM 630 CG GLU A 81 2.178 -13.184 9.155 1.00 0.00 C ATOM 631 CD GLU A 81 2.380 -14.670 9.003 1.00 0.00 C ATOM 632 OE1 GLU A 81 1.916 -15.135 7.798 1.00 0.00 O ATOM 633 OE2 GLU A 81 2.901 -15.376 9.866 1.00 0.00 O ATOM 0 H GLU A 81 1.714 -11.490 11.601 1.00 0.00 H new ATOM 0 HA GLU A 81 1.060 -10.689 8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.745 -13.154 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.014 -13.184 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.275 -12.718 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.980 -12.787 9.777 1.00 0.00 H new ATOM 634 N ILE A 82 -1.308 -10.385 8.831 1.00 0.00 N ATOM 635 CA ILE A 82 -2.590 -9.662 8.877 1.00 0.00 C ATOM 636 C ILE A 82 -3.612 -10.173 7.786 1.00 0.00 C ATOM 637 O ILE A 82 -3.273 -10.782 6.769 1.00 0.00 O ATOM 638 CB ILE A 82 -2.359 -8.094 8.802 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.054 -7.523 9.446 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.484 -7.352 9.546 1.00 0.00 C ATOM 641 CD1 ILE A 82 0.011 -7.139 8.444 1.00 0.00 C ATOM 0 H ILE A 82 -0.937 -10.527 7.892 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.052 -9.880 9.840 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.311 -7.933 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.309 -6.647 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.644 -8.266 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.312 -6.277 9.486 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.443 -7.592 9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.494 -7.660 10.591 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.883 -6.752 8.971 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.297 -8.016 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.379 -6.372 7.775 1.00 0.00 H new ATOM 642 N THR A 83 -4.870 -9.846 8.118 1.00 0.00 N ATOM 643 CA THR A 83 -6.054 -9.896 7.215 1.00 0.00 C ATOM 644 C THR A 83 -6.518 -8.412 7.005 1.00 0.00 C ATOM 645 O THR A 83 -5.642 -7.541 6.911 1.00 0.00 O ATOM 646 CB THR A 83 -7.088 -10.965 7.613 1.00 0.00 C ATOM 647 OG1 THR A 83 -7.877 -11.272 6.462 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.060 -10.675 8.751 1.00 0.00 C ATOM 0 H THR A 83 -5.111 -9.526 9.056 1.00 0.00 H new ATOM 0 HA THR A 83 -5.820 -10.283 6.223 1.00 0.00 H new ATOM 0 HB THR A 83 -6.463 -11.772 7.996 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.542 -11.953 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.716 -11.533 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.501 -10.485 9.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.659 -9.799 8.503 1.00 0.00 H new ATOM 649 N CYS A 84 -7.826 -8.077 6.848 1.00 0.00 N ATOM 650 CA CYS A 84 -8.211 -6.744 6.354 1.00 0.00 C ATOM 651 C CYS A 84 -9.427 -6.209 7.109 1.00 0.00 C ATOM 652 O CYS A 84 -9.216 -5.323 7.928 1.00 0.00 O ATOM 653 CB CYS A 84 -8.309 -6.761 4.824 1.00 0.00 C ATOM 654 SG CYS A 84 -9.935 -7.204 4.203 1.00 0.00 S ATOM 0 H CYS A 84 -8.608 -8.699 7.053 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.435 -6.010 6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.041 -5.776 4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.576 -7.466 4.431 1.00 0.00 H new ATOM 655 N ASN A 85 -10.650 -6.720 6.873 1.00 0.00 N ATOM 656 CA ASN A 85 -11.890 -6.219 7.499 1.00 0.00 C ATOM 657 C ASN A 85 -12.751 -7.390 8.061 1.00 0.00 C ATOM 658 O ASN A 85 -12.250 -8.505 8.251 1.00 0.00 O ATOM 659 CB ASN A 85 -12.563 -5.227 6.516 1.00 0.00 C ATOM 660 CG ASN A 85 -13.414 -5.744 5.354 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.349 -5.068 4.927 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.146 -6.927 4.813 1.00 0.00 N ATOM 0 H ASN A 85 -10.807 -7.501 6.236 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.700 -5.636 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.195 -4.565 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.772 -4.612 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.716 -7.276 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.370 -7.486 5.168 1.00 0.00 H new ATOM 663 N SER A 86 -14.037 -7.135 8.370 1.00 0.00 N ATOM 664 CA SER A 86 -14.986 -8.200 8.808 1.00 0.00 C ATOM 665 C SER A 86 -16.469 -7.882 8.425 1.00 0.00 C ATOM 666 O SER A 86 -17.376 -8.063 9.244 1.00 0.00 O ATOM 667 CB SER A 86 -14.802 -8.483 10.323 1.00 0.00 C ATOM 668 OG SER A 86 -15.092 -7.346 11.132 1.00 0.00 O ATOM 0 H SER A 86 -14.451 -6.204 8.327 1.00 0.00 H new ATOM 0 HA SER A 86 -14.745 -9.113 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.451 -9.308 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.777 -8.803 10.507 1.00 0.00 H new ATOM 0 HG SER A 86 -14.963 -7.575 12.076 1.00 0.00 H new ATOM 669 N LYS A 87 -16.709 -7.449 7.168 1.00 0.00 N ATOM 670 CA LYS A 87 -18.045 -6.996 6.712 1.00 0.00 C ATOM 671 C LYS A 87 -18.334 -7.472 5.235 1.00 0.00 C ATOM 672 O LYS A 87 -19.255 -8.257 5.004 1.00 0.00 O ATOM 673 CB LYS A 87 -18.223 -5.454 6.803 1.00 0.00 C ATOM 674 CG LYS A 87 -17.691 -4.693 8.023 1.00 0.00 C ATOM 675 CD LYS A 87 -16.291 -4.088 7.808 1.00 0.00 C ATOM 676 CE LYS A 87 -15.892 -3.134 8.941 1.00 0.00 C ATOM 677 NZ LYS A 87 -14.659 -2.405 8.599 1.00 0.00 N ATOM 0 H LYS A 87 -15.991 -7.403 6.445 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.764 -7.454 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.753 -5.021 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.290 -5.246 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -18.388 -3.894 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.658 -5.369 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.557 -4.891 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.271 -3.551 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.699 -2.426 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.743 -3.698 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.453 -1.705 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.868 -3.076 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.784 -1.919 7.688 1.00 0.00 H new ATOM 678 N ASN A 88 -17.538 -6.956 4.288 1.00 0.00 N ATOM 679 CA ASN A 88 -17.634 -7.198 2.844 1.00 0.00 C ATOM 680 C ASN A 88 -18.867 -6.771 2.012 1.00 0.00 C ATOM 681 O ASN A 88 -19.551 -7.582 1.383 1.00 0.00 O ATOM 682 CB ASN A 88 -16.882 -8.426 2.284 1.00 0.00 C ATOM 683 CG ASN A 88 -17.457 -9.801 2.571 1.00 0.00 C ATOM 684 OD1 ASN A 88 -18.371 -10.267 1.892 1.00 0.00 O ATOM 685 ND2 ASN A 88 -16.941 -10.494 3.574 1.00 0.00 N ATOM 0 H ASN A 88 -16.771 -6.326 4.522 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.026 -6.318 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.813 -8.311 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.864 -8.401 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.301 -11.424 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.183 -10.098 4.131 1.00 0.00 H new ATOM 686 N ASN A 89 -19.033 -5.446 1.931 1.00 0.00 N ATOM 687 CA ASN A 89 -19.394 -4.796 0.639 1.00 0.00 C ATOM 688 C ASN A 89 -17.999 -4.430 -0.022 1.00 0.00 C ATOM 689 O ASN A 89 -17.008 -4.231 0.685 1.00 0.00 O ATOM 690 CB ASN A 89 -20.207 -3.498 0.824 1.00 0.00 C ATOM 691 CG ASN A 89 -21.597 -3.683 1.431 1.00 0.00 C ATOM 692 OD1 ASN A 89 -21.771 -3.622 2.648 1.00 0.00 O ATOM 693 ND2 ASN A 89 -22.611 -3.909 0.612 1.00 0.00 N ATOM 0 H ASN A 89 -18.929 -4.805 2.717 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.017 -5.462 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.638 -2.819 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -20.313 -3.013 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -23.551 -4.035 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.453 -3.957 -0.394 1.00 0.00 H new ATOM 694 N ALA A 90 -17.896 -4.327 -1.355 1.00 0.00 N ATOM 695 CA ALA A 90 -16.617 -3.936 -2.020 1.00 0.00 C ATOM 696 C ALA A 90 -16.128 -2.515 -1.614 1.00 0.00 C ATOM 697 O ALA A 90 -14.950 -2.348 -1.325 1.00 0.00 O ATOM 698 CB ALA A 90 -16.689 -4.184 -3.526 1.00 0.00 C ATOM 0 H ALA A 90 -18.667 -4.504 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.829 -4.590 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.746 -3.892 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.872 -5.242 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.501 -3.595 -3.953 1.00 0.00 H new ATOM 699 N CYS A 91 -16.999 -1.497 -1.536 1.00 0.00 N ATOM 700 CA CYS A 91 -16.736 -0.226 -0.782 1.00 0.00 C ATOM 701 C CYS A 91 -15.685 -0.231 0.389 1.00 0.00 C ATOM 702 O CYS A 91 -14.824 0.641 0.452 1.00 0.00 O ATOM 703 CB CYS A 91 -18.106 0.039 -0.106 1.00 0.00 C ATOM 704 SG CYS A 91 -19.335 0.609 -1.281 1.00 0.00 S ATOM 0 H CYS A 91 -17.912 -1.516 -1.989 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.325 0.488 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.458 -0.875 0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.984 0.783 0.681 1.00 0.00 H new ATOM 705 N GLU A 92 -15.834 -1.210 1.289 1.00 0.00 N ATOM 706 CA GLU A 92 -14.918 -1.510 2.390 1.00 0.00 C ATOM 707 C GLU A 92 -13.899 -2.600 2.015 1.00 0.00 C ATOM 708 O GLU A 92 -12.702 -2.317 1.976 1.00 0.00 O ATOM 709 CB GLU A 92 -15.666 -1.856 3.715 1.00 0.00 C ATOM 710 CG GLU A 92 -16.862 -2.810 3.605 1.00 0.00 C ATOM 711 CD GLU A 92 -17.965 -2.597 4.632 1.00 0.00 C ATOM 712 OE1 GLU A 92 -17.857 -1.901 5.642 1.00 0.00 O ATOM 713 OE2 GLU A 92 -19.105 -3.278 4.293 1.00 0.00 O ATOM 0 H GLU A 92 -16.634 -1.842 1.266 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.358 -0.593 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.946 -2.292 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -16.014 -0.925 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.293 -2.712 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.498 -3.833 3.695 1.00 0.00 H new ATOM 714 N ALA A 93 -14.394 -3.825 1.769 1.00 0.00 N ATOM 715 CA ALA A 93 -13.559 -4.996 1.517 1.00 0.00 C ATOM 716 C ALA A 93 -12.748 -5.053 0.234 1.00 0.00 C ATOM 717 O ALA A 93 -11.710 -5.719 0.255 1.00 0.00 O ATOM 718 CB ALA A 93 -14.365 -6.286 1.576 1.00 0.00 C ATOM 0 H ALA A 93 -15.394 -4.024 1.741 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.835 -4.890 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.708 -7.134 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.812 -6.391 2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.152 -6.258 0.823 1.00 0.00 H new ATOM 719 N PHE A 94 -13.189 -4.423 -0.881 1.00 0.00 N ATOM 720 CA PHE A 94 -12.284 -4.353 -2.082 1.00 0.00 C ATOM 721 C PHE A 94 -11.035 -3.507 -1.762 1.00 0.00 C ATOM 722 O PHE A 94 -9.937 -3.871 -2.194 1.00 0.00 O ATOM 723 CB PHE A 94 -13.092 -3.972 -3.331 1.00 0.00 C ATOM 724 CG PHE A 94 -12.439 -3.310 -4.543 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.720 -2.115 -4.415 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.778 -3.737 -5.829 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.275 -1.414 -5.525 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.329 -3.044 -6.955 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.566 -1.885 -6.795 1.00 0.00 C ATOM 0 H PHE A 94 -14.101 -3.979 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.871 -5.330 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.568 -4.885 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.889 -3.306 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.507 -1.731 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.395 -4.614 -5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.704 -0.505 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.570 -3.402 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.202 -1.355 -7.663 1.00 0.00 H new ATOM 730 N ILE A 95 -11.223 -2.378 -1.042 1.00 0.00 N ATOM 731 CA ILE A 95 -10.106 -1.478 -0.688 1.00 0.00 C ATOM 732 C ILE A 95 -9.223 -2.167 0.380 1.00 0.00 C ATOM 733 O ILE A 95 -8.017 -2.240 0.148 1.00 0.00 O ATOM 734 CB ILE A 95 -10.615 -0.058 -0.303 1.00 0.00 C ATOM 735 CG1 ILE A 95 -11.272 0.654 -1.513 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.427 0.841 0.140 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.738 0.363 -1.813 1.00 0.00 C ATOM 0 H ILE A 95 -12.133 -2.071 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.469 -1.301 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.338 -0.194 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.170 1.729 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.694 0.401 -2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.799 1.830 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.935 0.394 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.713 0.930 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.051 0.935 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.864 -0.701 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.348 0.647 -0.956 1.00 0.00 H new ATOM 738 N CYS A 96 -9.812 -2.718 1.471 1.00 0.00 N ATOM 739 CA CYS A 96 -9.081 -3.558 2.441 1.00 0.00 C ATOM 740 C CYS A 96 -8.214 -4.693 1.817 1.00 0.00 C ATOM 741 O CYS A 96 -7.125 -4.929 2.332 1.00 0.00 O ATOM 742 CB CYS A 96 -10.080 -4.144 3.480 1.00 0.00 C ATOM 743 SG CYS A 96 -10.618 -5.796 2.967 1.00 0.00 S ATOM 0 H CYS A 96 -10.798 -2.592 1.698 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.362 -2.895 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.607 -4.196 4.461 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.944 -3.486 3.577 1.00 0.00 H new ATOM 744 N ASN A 97 -8.678 -5.365 0.734 1.00 0.00 N ATOM 745 CA ASN A 97 -7.920 -6.491 0.111 1.00 0.00 C ATOM 746 C ASN A 97 -6.751 -6.067 -0.789 1.00 0.00 C ATOM 747 O ASN A 97 -5.730 -6.757 -0.757 1.00 0.00 O ATOM 748 CB ASN A 97 -8.927 -7.355 -0.673 1.00 0.00 C ATOM 749 CG ASN A 97 -8.500 -8.782 -1.011 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.569 -9.351 -0.441 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.198 -9.410 -1.940 1.00 0.00 N ATOM 0 H ASN A 97 -9.564 -5.153 0.274 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.445 -7.050 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.851 -7.405 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.160 -6.841 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.967 -10.372 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.968 -8.933 -2.409 1.00 0.00 H new ATOM 752 N CYS A 98 -6.875 -4.979 -1.575 1.00 0.00 N ATOM 753 CA CYS A 98 -5.684 -4.391 -2.235 1.00 0.00 C ATOM 754 C CYS A 98 -4.662 -3.776 -1.224 1.00 0.00 C ATOM 755 O CYS A 98 -3.463 -3.908 -1.471 1.00 0.00 O ATOM 756 CB CYS A 98 -6.029 -3.448 -3.399 1.00 0.00 C ATOM 757 SG CYS A 98 -4.853 -3.834 -4.729 1.00 0.00 S ATOM 0 H CYS A 98 -7.755 -4.500 -1.767 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.168 -5.233 -2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -7.056 -3.599 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -5.943 -2.405 -3.094 1.00 0.00 H new ATOM 758 N ASP A 99 -5.126 -3.194 -0.083 1.00 0.00 N ATOM 759 CA ASP A 99 -4.239 -2.750 1.023 1.00 0.00 C ATOM 760 C ASP A 99 -3.488 -3.924 1.678 1.00 0.00 C ATOM 761 O ASP A 99 -2.273 -3.875 1.764 1.00 0.00 O ATOM 762 CB ASP A 99 -5.005 -1.976 2.110 1.00 0.00 C ATOM 763 CG ASP A 99 -5.334 -0.526 1.816 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.547 0.394 2.015 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.601 -0.357 1.349 1.00 0.00 O ATOM 0 H ASP A 99 -6.116 -3.022 0.092 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.513 -2.082 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.939 -2.503 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.419 -2.011 3.028 1.00 0.00 H new ATOM 766 N ARG A 100 -4.194 -4.954 2.104 1.00 0.00 N ATOM 767 CA ARG A 100 -3.613 -6.165 2.695 1.00 0.00 C ATOM 768 C ARG A 100 -2.754 -6.988 1.739 1.00 0.00 C ATOM 769 O ARG A 100 -1.731 -7.458 2.216 1.00 0.00 O ATOM 770 CB ARG A 100 -4.841 -6.893 3.210 1.00 0.00 C ATOM 771 CG ARG A 100 -4.664 -8.084 4.126 1.00 0.00 C ATOM 772 CD ARG A 100 -4.078 -9.378 3.603 1.00 0.00 C ATOM 773 NE ARG A 100 -4.824 -9.815 2.419 1.00 0.00 N ATOM 774 CZ ARG A 100 -4.540 -10.924 1.710 1.00 0.00 C ATOM 775 NH1 ARG A 100 -3.569 -11.780 2.019 1.00 0.00 N ATOM 776 NH2 ARG A 100 -5.268 -11.182 0.643 1.00 0.00 N ATOM 0 H ARG A 100 -5.212 -4.982 2.052 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.885 -5.946 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.458 -6.164 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.411 -7.228 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.037 -7.760 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.645 -8.320 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.027 -9.237 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.120 -10.146 4.375 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.610 -9.241 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.985 -11.614 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.409 -12.602 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.022 -10.549 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.078 -12.014 0.085 1.00 0.00 H new ATOM 777 N ASN A 101 -3.069 -7.171 0.435 1.00 0.00 N ATOM 778 CA ASN A 101 -2.062 -7.786 -0.490 1.00 0.00 C ATOM 779 C ASN A 101 -0.825 -6.835 -0.786 1.00 0.00 C ATOM 780 O ASN A 101 0.205 -7.312 -1.262 1.00 0.00 O ATOM 781 CB ASN A 101 -2.785 -8.256 -1.766 1.00 0.00 C ATOM 782 CG ASN A 101 -1.981 -9.228 -2.635 1.00 0.00 C ATOM 783 OD1 ASN A 101 -1.254 -8.819 -3.540 1.00 0.00 O ATOM 784 ND2 ASN A 101 -2.090 -10.522 -2.387 1.00 0.00 N ATOM 0 H ASN A 101 -3.960 -6.920 0.007 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.616 -8.652 -0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.722 -8.734 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.042 -7.382 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -1.568 -11.195 -2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.696 -10.848 -1.634 1.00 0.00 H new ATOM 785 N ALA A 102 -0.945 -5.536 -0.471 1.00 0.00 N ATOM 786 CA ALA A 102 0.183 -4.619 -0.259 1.00 0.00 C ATOM 787 C ALA A 102 0.781 -4.698 1.192 1.00 0.00 C ATOM 788 O ALA A 102 1.946 -4.338 1.307 1.00 0.00 O ATOM 789 CB ALA A 102 -0.307 -3.219 -0.634 1.00 0.00 C ATOM 0 H ALA A 102 -1.852 -5.084 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 102 1.023 -4.905 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.500 -2.501 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.621 -3.211 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.151 -2.947 0.000 1.00 0.00 H new ATOM 790 N ALA A 103 0.105 -5.160 2.287 1.00 0.00 N ATOM 791 CA ALA A 103 0.844 -5.564 3.545 1.00 0.00 C ATOM 792 C ALA A 103 1.745 -6.845 3.434 1.00 0.00 C ATOM 793 O ALA A 103 2.658 -7.046 4.224 1.00 0.00 O ATOM 794 CB ALA A 103 -0.127 -5.707 4.721 1.00 0.00 C ATOM 0 H ALA A 103 -0.909 -5.263 2.336 1.00 0.00 H new ATOM 0 HA ALA A 103 1.543 -4.745 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.425 -5.998 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.628 -4.755 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.870 -6.470 4.489 1.00 0.00 H new ATOM 795 N ILE A 104 1.426 -7.627 2.423 1.00 0.00 N ATOM 796 CA ILE A 104 2.050 -8.880 1.945 1.00 0.00 C ATOM 797 C ILE A 104 3.197 -8.486 1.069 1.00 0.00 C ATOM 798 O ILE A 104 4.324 -8.592 1.506 1.00 0.00 O ATOM 799 CB ILE A 104 0.853 -9.580 1.224 1.00 0.00 C ATOM 800 CG1 ILE A 104 -0.089 -10.354 2.161 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.104 -10.424 -0.031 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.218 -9.802 3.565 1.00 0.00 C ATOM 0 H ILE A 104 0.629 -7.384 1.835 1.00 0.00 H new ATOM 0 HA ILE A 104 2.480 -9.556 2.684 1.00 0.00 H new ATOM 0 HB ILE A 104 0.379 -8.674 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.080 -10.381 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.260 -11.385 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.159 -10.830 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.550 -9.800 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.782 -11.243 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.905 -10.424 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.760 -9.802 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.601 -8.782 3.521 1.00 0.00 H new ATOM 803 N CYS A 105 2.958 -7.958 -0.127 1.00 0.00 N ATOM 804 CA CYS A 105 4.056 -7.458 -0.975 1.00 0.00 C ATOM 805 C CYS A 105 5.025 -6.519 -0.163 1.00 0.00 C ATOM 806 O CYS A 105 6.237 -6.722 -0.232 1.00 0.00 O ATOM 807 CB CYS A 105 3.488 -6.598 -2.103 1.00 0.00 C ATOM 808 SG CYS A 105 2.679 -7.386 -3.475 1.00 0.00 S ATOM 0 H CYS A 105 2.028 -7.862 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 105 4.590 -8.331 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.776 -5.903 -1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.307 -6.002 -2.504 1.00 0.00 H new ATOM 809 N PHE A 106 4.459 -5.594 0.639 1.00 0.00 N ATOM 810 CA PHE A 106 5.249 -4.787 1.581 1.00 0.00 C ATOM 811 C PHE A 106 5.344 -5.194 3.080 1.00 0.00 C ATOM 812 O PHE A 106 5.384 -4.419 4.033 1.00 0.00 O ATOM 813 CB PHE A 106 5.294 -3.337 1.230 1.00 0.00 C ATOM 814 CG PHE A 106 4.298 -2.644 0.357 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.270 -2.848 -1.031 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.380 -1.782 0.947 1.00 0.00 C ATOM 817 CE1 PHE A 106 3.368 -2.134 -1.810 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.501 -1.051 0.161 1.00 0.00 C ATOM 819 CZ PHE A 106 2.502 -1.216 -1.225 1.00 0.00 C ATOM 0 H PHE A 106 3.460 -5.390 0.650 1.00 0.00 H new ATOM 0 HA PHE A 106 6.257 -5.151 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.292 -2.797 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 106 6.267 -3.168 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 106 4.945 -3.555 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.351 -1.681 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.339 -2.293 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.816 -0.354 0.621 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.833 -0.633 -1.841 1.00 0.00 H new ATOM 820 N SER A 107 5.502 -6.493 3.104 1.00 0.00 N ATOM 821 CA SER A 107 6.239 -7.286 4.093 1.00 0.00 C ATOM 822 C SER A 107 7.278 -8.280 3.452 1.00 0.00 C ATOM 823 O SER A 107 8.283 -8.580 4.102 1.00 0.00 O ATOM 824 CB SER A 107 5.286 -8.128 4.963 1.00 0.00 C ATOM 825 OG SER A 107 5.948 -9.005 5.872 1.00 0.00 O ATOM 0 H SER A 107 5.091 -7.084 2.381 1.00 0.00 H new ATOM 0 HA SER A 107 6.773 -6.548 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.639 -7.457 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.641 -8.717 4.311 1.00 0.00 H new ATOM 0 HG SER A 107 6.249 -8.498 6.655 1.00 0.00 H new ATOM 826 N LYS A 108 7.008 -8.806 2.236 1.00 0.00 N ATOM 827 CA LYS A 108 7.538 -10.102 1.788 1.00 0.00 C ATOM 828 C LYS A 108 7.713 -10.364 0.256 1.00 0.00 C ATOM 829 O LYS A 108 8.102 -11.485 -0.093 1.00 0.00 O ATOM 830 CB LYS A 108 6.761 -11.268 2.456 1.00 0.00 C ATOM 831 CG LYS A 108 5.288 -11.120 2.786 1.00 0.00 C ATOM 832 CD LYS A 108 4.253 -11.729 1.841 1.00 0.00 C ATOM 833 CE LYS A 108 4.672 -12.848 0.886 1.00 0.00 C ATOM 834 NZ LYS A 108 3.517 -13.531 0.275 1.00 0.00 N ATOM 0 H LYS A 108 6.419 -8.342 1.545 1.00 0.00 H new ATOM 0 HA LYS A 108 8.573 -10.051 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.859 -12.136 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.277 -11.508 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.127 -11.552 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.074 -10.054 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.436 -12.111 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.846 -10.919 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.302 -12.433 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.276 -13.576 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.842 -14.382 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.842 -13.804 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.051 -12.890 -0.398 1.00 0.00 H new ATOM 835 N ALA A 109 7.538 -9.383 -0.647 1.00 0.00 N ATOM 836 CA ALA A 109 8.021 -9.487 -2.056 1.00 0.00 C ATOM 837 C ALA A 109 9.532 -9.932 -2.199 1.00 0.00 C ATOM 838 O ALA A 109 10.206 -10.125 -1.185 1.00 0.00 O ATOM 839 CB ALA A 109 7.915 -8.087 -2.695 1.00 0.00 C ATOM 0 H ALA A 109 7.066 -8.504 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 109 7.405 -10.248 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.262 -8.131 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.877 -7.755 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.531 -7.384 -2.135 1.00 0.00 H new ATOM 840 N PRO A 110 10.088 -10.062 -3.419 1.00 0.00 N ATOM 841 CA PRO A 110 11.595 -10.204 -3.674 1.00 0.00 C ATOM 842 C PRO A 110 12.357 -8.891 -3.438 1.00 0.00 C ATOM 843 O PRO A 110 12.811 -8.125 -4.293 1.00 0.00 O ATOM 844 CB PRO A 110 11.610 -10.636 -5.152 1.00 0.00 C ATOM 845 CG PRO A 110 10.343 -11.511 -5.165 1.00 0.00 C ATOM 846 CD PRO A 110 9.317 -10.551 -4.566 1.00 0.00 C ATOM 0 HA PRO A 110 12.094 -10.903 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 110 11.544 -9.791 -5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.508 -11.193 -5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.072 -11.828 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.460 -12.415 -4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.037 -9.753 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.396 -11.053 -4.269 1.00 0.00 H new ATOM 847 N TYR A 111 12.372 -8.737 -2.138 1.00 0.00 N ATOM 848 CA TYR A 111 12.642 -7.491 -1.435 1.00 0.00 C ATOM 849 C TYR A 111 14.087 -6.959 -1.495 1.00 0.00 C ATOM 850 O TYR A 111 15.035 -7.746 -1.590 1.00 0.00 O ATOM 851 CB TYR A 111 12.350 -7.859 0.058 1.00 0.00 C ATOM 852 CG TYR A 111 11.484 -6.891 0.807 1.00 0.00 C ATOM 853 CD1 TYR A 111 11.965 -5.726 1.436 1.00 0.00 C ATOM 854 CD2 TYR A 111 10.150 -7.221 0.916 1.00 0.00 C ATOM 855 CE1 TYR A 111 11.113 -4.958 2.231 1.00 0.00 C ATOM 856 CE2 TYR A 111 9.299 -6.434 1.669 1.00 0.00 C ATOM 857 CZ TYR A 111 9.785 -5.350 2.394 1.00 0.00 C ATOM 858 OH TYR A 111 8.943 -4.652 3.189 1.00 0.00 O ATOM 0 H TYR A 111 12.188 -9.512 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 111 12.044 -6.703 -1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.875 -8.840 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.301 -7.950 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 111 12.994 -5.427 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 111 9.769 -8.097 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.480 -4.066 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.244 -6.663 1.695 1.00 0.00 H new ATOM 0 HH TYR A 111 8.679 -3.823 2.738 1.00 0.00 H new ATOM 859 N ASN A 112 14.236 -5.637 -1.338 1.00 0.00 N ATOM 860 CA ASN A 112 15.540 -5.020 -1.027 1.00 0.00 C ATOM 861 C ASN A 112 15.187 -3.619 -0.447 1.00 0.00 C ATOM 862 O ASN A 112 14.868 -2.645 -1.132 1.00 0.00 O ATOM 863 CB ASN A 112 16.502 -4.887 -2.229 1.00 0.00 C ATOM 864 CG ASN A 112 17.437 -6.074 -2.449 1.00 0.00 C ATOM 865 OD1 ASN A 112 18.236 -6.425 -1.581 1.00 0.00 O ATOM 866 ND2 ASN A 112 17.380 -6.706 -3.610 1.00 0.00 N ATOM 0 H ASN A 112 13.469 -4.969 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 112 16.088 -5.658 -0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.910 -4.739 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.106 -3.990 -2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 112 18.002 -7.493 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 112 16.714 -6.406 -4.322 1.00 0.00 H new ATOM 867 N LYS A 113 15.356 -3.612 0.867 1.00 0.00 N ATOM 868 CA LYS A 113 15.136 -2.508 1.805 1.00 0.00 C ATOM 869 C LYS A 113 16.417 -1.806 2.240 1.00 0.00 C ATOM 870 O LYS A 113 17.004 -1.974 3.313 1.00 0.00 O ATOM 871 CB LYS A 113 14.334 -3.169 2.919 1.00 0.00 C ATOM 872 CG LYS A 113 14.958 -4.310 3.757 1.00 0.00 C ATOM 873 CD LYS A 113 15.433 -5.617 3.112 1.00 0.00 C ATOM 874 CE LYS A 113 16.945 -5.731 2.830 1.00 0.00 C ATOM 875 NZ LYS A 113 17.763 -5.906 4.045 1.00 0.00 N ATOM 0 H LYS A 113 15.679 -4.449 1.352 1.00 0.00 H new ATOM 0 HA LYS A 113 14.598 -1.666 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.038 -2.383 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.420 -3.560 2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.816 -3.886 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.225 -4.581 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 113 15.143 -6.444 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.899 -5.748 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 113 17.118 -6.574 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 113 17.276 -4.835 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 18.767 -5.975 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 17.627 -5.091 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 17.473 -6.776 4.536 1.00 0.00 H new ATOM 876 N GLU A 114 16.873 -1.055 1.243 1.00 0.00 N ATOM 877 CA GLU A 114 18.303 -0.967 0.912 1.00 0.00 C ATOM 878 C GLU A 114 18.398 0.305 0.049 1.00 0.00 C ATOM 879 O GLU A 114 19.060 1.269 0.441 1.00 0.00 O ATOM 880 CB GLU A 114 18.518 -2.409 0.355 1.00 0.00 C ATOM 881 CG GLU A 114 19.499 -2.513 -0.751 1.00 0.00 C ATOM 882 CD GLU A 114 20.963 -2.426 -0.424 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.631 -3.388 -0.044 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.459 -1.160 -0.599 1.00 0.00 O ATOM 0 H GLU A 114 16.272 -0.491 0.642 1.00 0.00 H new ATOM 0 HA GLU A 114 19.106 -0.803 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.844 -3.053 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.560 -2.795 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.329 -3.464 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.273 -1.725 -1.469 1.00 0.00 H new ATOM 885 N HIS A 115 17.688 0.298 -1.096 1.00 0.00 N ATOM 886 CA HIS A 115 17.358 1.484 -1.880 1.00 0.00 C ATOM 887 C HIS A 115 15.911 1.849 -1.420 1.00 0.00 C ATOM 888 O HIS A 115 14.902 1.317 -1.881 1.00 0.00 O ATOM 889 CB HIS A 115 17.614 1.192 -3.364 1.00 0.00 C ATOM 890 CG HIS A 115 16.828 0.166 -4.150 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.499 0.346 -4.469 1.00 0.00 N ATOM 892 CD2 HIS A 115 17.086 -1.169 -3.879 1.00 0.00 C ATOM 893 CE1 HIS A 115 15.040 -0.871 -4.037 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.927 -1.900 -3.856 1.00 0.00 N ATOM 0 H HIS A 115 17.322 -0.562 -1.505 1.00 0.00 H new ATOM 0 HA HIS A 115 17.973 2.370 -1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.498 2.140 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.663 0.908 -3.447 1.00 0.00 H new ATOM 0 HD1 HIS A 115 15.011 1.135 -4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 115 18.071 -1.579 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.988 -1.018 -3.841 1.00 0.00 H new ATOM 895 N LYS A 116 15.846 2.729 -0.422 1.00 0.00 N ATOM 896 CA LYS A 116 14.577 3.006 0.374 1.00 0.00 C ATOM 897 C LYS A 116 14.107 4.431 0.764 1.00 0.00 C ATOM 898 O LYS A 116 13.312 4.717 1.665 1.00 0.00 O ATOM 899 CB LYS A 116 14.623 2.090 1.582 1.00 0.00 C ATOM 900 CG LYS A 116 15.343 2.663 2.800 1.00 0.00 C ATOM 901 CD LYS A 116 16.760 3.072 2.471 1.00 0.00 C ATOM 902 CE LYS A 116 17.510 3.875 3.517 1.00 0.00 C ATOM 903 NZ LYS A 116 18.131 3.093 4.599 1.00 0.00 N ATOM 0 H LYS A 116 16.646 3.283 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 116 13.794 2.820 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.602 1.839 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 116 15.112 1.159 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.793 3.526 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.355 1.921 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 116 17.333 2.168 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.738 3.654 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 116 18.289 4.451 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.820 4.592 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.616 3.736 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.396 2.563 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.820 2.427 4.195 1.00 0.00 H new ATOM 904 N ASN A 117 14.746 5.256 0.008 1.00 0.00 N ATOM 905 CA ASN A 117 15.220 6.584 0.377 1.00 0.00 C ATOM 906 C ASN A 117 15.649 7.193 -0.959 1.00 0.00 C ATOM 907 O ASN A 117 15.079 8.233 -1.295 1.00 0.00 O ATOM 908 CB ASN A 117 16.352 6.443 1.414 1.00 0.00 C ATOM 909 CG ASN A 117 16.869 7.735 2.021 1.00 0.00 C ATOM 910 OD1 ASN A 117 16.244 8.318 2.907 1.00 0.00 O ATOM 911 ND2 ASN A 117 18.015 8.215 1.570 1.00 0.00 N ATOM 0 H ASN A 117 14.977 5.022 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 117 14.485 7.228 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 117 15.999 5.802 2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.188 5.928 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 117 18.393 9.080 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 117 18.521 7.720 0.835 1.00 0.00 H new ATOM 912 N LEU A 118 16.624 6.529 -1.707 1.00 0.00 N ATOM 913 CA LEU A 118 17.040 7.013 -3.068 1.00 0.00 C ATOM 914 C LEU A 118 17.090 8.547 -3.248 1.00 0.00 C ATOM 915 O LEU A 118 17.737 9.252 -2.468 1.00 0.00 O ATOM 916 CB LEU A 118 16.348 6.146 -4.117 1.00 0.00 C ATOM 917 CG LEU A 118 16.800 4.649 -4.133 1.00 0.00 C ATOM 918 CD1 LEU A 118 15.500 3.939 -3.869 1.00 0.00 C ATOM 919 CD2 LEU A 118 17.261 4.033 -5.452 1.00 0.00 C ATOM 0 H LEU A 118 17.111 5.690 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 118 18.107 6.856 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.272 6.184 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.531 6.577 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 118 17.650 4.567 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.670 2.862 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.100 4.258 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.786 4.182 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.539 2.992 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.451 4.083 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.122 4.584 -5.829 1.00 0.00 H new ATOM 920 N ASP A 119 16.431 9.017 -4.302 1.00 0.00 N ATOM 921 CA ASP A 119 16.650 10.348 -4.899 1.00 0.00 C ATOM 922 C ASP A 119 15.456 10.617 -5.827 1.00 0.00 C ATOM 923 O ASP A 119 14.661 11.528 -5.574 1.00 0.00 O ATOM 924 CB ASP A 119 18.072 10.333 -5.475 1.00 0.00 C ATOM 925 CG ASP A 119 18.813 11.629 -5.676 1.00 0.00 C ATOM 926 OD1 ASP A 119 18.789 12.424 -4.559 1.00 0.00 O ATOM 927 OD2 ASP A 119 19.390 11.922 -6.720 1.00 0.00 O ATOM 0 H ASP A 119 15.711 8.477 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 119 16.649 11.207 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.681 9.709 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 119 18.026 9.832 -6.442 1.00 0.00 H new ATOM 928 N THR A 120 15.310 9.778 -6.846 1.00 0.00 N ATOM 929 CA THR A 120 14.064 9.526 -7.589 1.00 0.00 C ATOM 930 C THR A 120 14.113 10.199 -8.951 1.00 0.00 C ATOM 931 O THR A 120 13.285 11.049 -9.292 1.00 0.00 O ATOM 932 CB THR A 120 12.718 9.478 -6.815 1.00 0.00 C ATOM 933 OG1 THR A 120 12.085 10.747 -6.707 1.00 0.00 O ATOM 934 CG2 THR A 120 12.915 8.895 -5.398 1.00 0.00 C ATOM 0 H THR A 120 16.090 9.224 -7.200 1.00 0.00 H new ATOM 0 HA THR A 120 14.042 8.454 -7.785 1.00 0.00 H new ATOM 0 HB THR A 120 12.067 8.830 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 120 12.157 11.222 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.958 8.872 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 120 13.311 7.882 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 120 13.615 9.518 -4.842 1.00 0.00 H new ATOM 935 N LYS A 121 15.132 9.770 -9.726 1.00 0.00 N ATOM 936 CA LYS A 121 15.463 10.392 -11.055 1.00 0.00 C ATOM 937 C LYS A 121 16.384 9.426 -11.853 1.00 0.00 C ATOM 938 O LYS A 121 16.037 8.923 -12.923 1.00 0.00 O ATOM 939 CB LYS A 121 16.032 11.803 -10.810 1.00 0.00 C ATOM 940 CG LYS A 121 17.249 11.869 -9.865 1.00 0.00 C ATOM 941 CD LYS A 121 17.296 13.171 -9.059 1.00 0.00 C ATOM 942 CE LYS A 121 16.398 12.987 -7.820 1.00 0.00 C ATOM 943 NZ LYS A 121 16.248 14.210 -7.015 1.00 0.00 N ATOM 0 H LYS A 121 15.747 8.998 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 121 14.583 10.533 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.315 12.234 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.240 12.430 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.219 11.022 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 121 18.164 11.774 -10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.319 13.399 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.947 14.008 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.412 12.651 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.815 12.198 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.633 14.015 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.182 14.521 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.823 14.959 -7.598 1.00 0.00 H new ATOM 944 N LYS A 122 17.503 9.119 -11.200 1.00 0.00 N ATOM 945 CA LYS A 122 18.279 7.893 -11.336 1.00 0.00 C ATOM 946 C LYS A 122 17.426 6.584 -11.014 1.00 0.00 C ATOM 947 O LYS A 122 17.399 5.595 -11.744 1.00 0.00 O ATOM 948 CB LYS A 122 19.240 8.122 -10.072 1.00 0.00 C ATOM 949 CG LYS A 122 20.508 8.837 -10.379 1.00 0.00 C ATOM 950 CD LYS A 122 21.370 9.260 -9.191 1.00 0.00 C ATOM 951 CE LYS A 122 21.407 10.793 -9.117 1.00 0.00 C ATOM 952 NZ LYS A 122 22.278 11.295 -8.041 1.00 0.00 N ATOM 0 H LYS A 122 17.915 9.760 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 122 18.707 7.743 -12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.695 8.686 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.481 7.153 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.110 8.197 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.263 9.730 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.964 8.849 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 122 22.380 8.864 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 122 21.753 11.189 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 122 20.395 11.169 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 22.263 12.335 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.936 10.942 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.251 10.963 -8.198 1.00 0.00 H new ATOM 953 N TYR A 123 16.755 6.746 -9.880 1.00 0.00 N ATOM 954 CA TYR A 123 16.014 5.804 -9.075 1.00 0.00 C ATOM 955 C TYR A 123 14.507 5.798 -9.206 1.00 0.00 C ATOM 956 O TYR A 123 13.944 4.833 -8.691 1.00 0.00 O ATOM 957 CB TYR A 123 16.518 6.458 -7.743 1.00 0.00 C ATOM 958 CG TYR A 123 18.028 6.210 -7.376 1.00 0.00 C ATOM 959 CD1 TYR A 123 18.855 5.290 -8.039 1.00 0.00 C ATOM 960 CD2 TYR A 123 18.619 7.068 -6.471 1.00 0.00 C ATOM 961 CE1 TYR A 123 20.236 5.395 -7.937 1.00 0.00 C ATOM 962 CE2 TYR A 123 19.999 7.173 -6.362 1.00 0.00 C ATOM 963 CZ TYR A 123 20.821 6.333 -7.102 1.00 0.00 C ATOM 964 OH TYR A 123 22.167 6.552 -7.147 1.00 0.00 O ATOM 0 H TYR A 123 16.719 7.672 -9.453 1.00 0.00 H new ATOM 0 HA TYR A 123 16.174 4.745 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.353 7.534 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 123 15.901 6.088 -6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.417 4.499 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.993 7.673 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 123 20.864 4.735 -8.518 1.00 0.00 H new ATOM 0 HE2 TYR A 123 20.434 7.908 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 123 22.408 7.243 -6.496 1.00 0.00 H new ATOM 965 N CYS A 124 13.843 6.779 -9.891 1.00 0.00 N ATOM 966 CA CYS A 124 12.365 6.850 -9.891 1.00 0.00 C ATOM 967 C CYS A 124 11.767 5.663 -10.682 1.00 0.00 C ATOM 968 O CYS A 124 11.555 5.690 -11.895 1.00 0.00 O ATOM 969 CB CYS A 124 11.718 8.182 -10.311 1.00 0.00 C ATOM 970 SG CYS A 124 10.502 8.763 -9.118 1.00 0.00 S ATOM 971 OXT CYS A 124 11.544 4.561 -9.898 1.00 0.00 O ATOM 0 H CYS A 124 14.303 7.510 -10.434 1.00 0.00 H new ATOM 0 HA CYS A 124 12.106 6.783 -8.834 1.00 0.00 H new ATOM 0 HB2 CYS A 124 12.494 8.938 -10.431 1.00 0.00 H new ATOM 0 HB3 CYS A 124 11.239 8.059 -11.283 1.00 0.00 H new TER 972 CYS A 124 HETATM 973 CA CA A 125 2.382 7.236 -5.101 1.00 0.00 CA