USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 734 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 78 LYS NZ :NH3+ -146:sc= 0.466 (180deg=-0.609) USER MOD Set 1.2: A 81 GLN : amide:sc= 0 K(o=0.47,f=-1.1) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 THR OG1 : rot 87:sc= 1.27 USER MOD Set 3.1: A 48 SER OG : rot 180:sc= -0.134 USER MOD Set 3.2: A 50 GLN : amide:sc= -0.27 K(o=-0.4,f=-3.4!) USER MOD Set 4.1: A 31 SER OG : rot -116:sc= -3! USER MOD Set 4.2: A 35 CYS SG : rot 153:sc= -2.77! USER MOD Set 5.1: A 30 SER OG : rot 82:sc= 0.953 USER MOD Set 5.2: A 33 GLN : amide:sc= 0.926 K(o=1.9,f=-6.9!) USER MOD Single : A 1 SER N :NH3+ -128:sc= 0.0761 (180deg=0) USER MOD Single : A 1 SER OG : rot -125:sc= 1.55 USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= -0.0862 (180deg=-0.435) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 5 THR OG1 : rot 81:sc= -0.187 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.318 K(o=0.32,f=-5.2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -0.0094 (180deg=-0.134) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0488 (180deg=-0.361) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0.946 (180deg=0.674) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0258 (180deg=-0.181) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0.472 (180deg=0.0583) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 32 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.34) USER MOD Single : A 44 GLN : amide:sc= -0.225 K(o=-0.22,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.87 K(o=-2.9,f=-1.9) USER MOD Single : A 52 MET CE :methyl -174:sc= -1.12 (180deg=-1.26) USER MOD Single : A 53 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.25) USER MOD Single : A 56 SER OG : rot 11:sc= 0.427 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.18) USER MOD Single : A 71 GLN : amide:sc= -1.66! C(o=-1.7!,f=-3.8!) USER MOD Single : A 72 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.6!) USER MOD Single : A 73 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.19) USER MOD Single : A 75 MET CE :methyl -162:sc= -0.132 (180deg=-0.585) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0124 (180deg=-0.172) USER MOD Single : A 77 SER OG : rot 78:sc= 0.565 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.0353 K(o=0.035,f=-2.6) USER MOD Single : A 84 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.297 14.907 -7.655 1.00 0.00 N ATOM 2 CA SER A 1 -6.414 13.894 -6.586 1.00 0.00 C ATOM 3 C SER A 1 -6.773 14.578 -5.265 1.00 0.00 C ATOM 4 O SER A 1 -7.382 15.650 -5.268 1.00 0.00 O ATOM 5 CB SER A 1 -5.094 13.115 -6.477 1.00 0.00 C ATOM 6 OG SER A 1 -5.181 12.059 -5.532 1.00 0.00 O ATOM 0 H1 SER A 1 -6.887 14.627 -8.464 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.616 15.829 -7.296 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.305 14.978 -7.958 1.00 0.00 H new ATOM 0 HA SER A 1 -7.209 13.187 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.830 12.708 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.293 13.796 -6.189 1.00 0.00 H new ATOM 0 HG SER A 1 -4.463 12.151 -4.871 1.00 0.00 H new ATOM 14 N LYS A 2 -6.420 13.952 -4.147 1.00 0.00 N ATOM 15 CA LYS A 2 -6.734 14.491 -2.834 1.00 0.00 C ATOM 16 C LYS A 2 -5.729 15.560 -2.439 1.00 0.00 C ATOM 17 O LYS A 2 -6.112 16.626 -1.958 1.00 0.00 O ATOM 18 CB LYS A 2 -6.770 13.371 -1.790 1.00 0.00 C ATOM 19 CG LYS A 2 -7.841 12.328 -2.074 1.00 0.00 C ATOM 20 CD LYS A 2 -7.923 11.285 -0.971 1.00 0.00 C ATOM 21 CE LYS A 2 -9.075 10.316 -1.206 1.00 0.00 C ATOM 22 NZ LYS A 2 -10.386 11.018 -1.267 1.00 0.00 N ATOM 0 H LYS A 2 -5.914 13.067 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.721 14.952 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.796 12.883 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.945 13.805 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.808 12.820 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.627 11.837 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.985 10.732 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.053 11.780 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.910 9.774 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.096 9.576 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.154 10.332 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.425 11.745 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.496 11.468 -2.198 1.00 0.00 H new ATOM 36 N GLN A 3 -4.448 15.261 -2.653 1.00 0.00 N ATOM 37 CA GLN A 3 -3.362 16.207 -2.396 1.00 0.00 C ATOM 38 C GLN A 3 -3.345 16.648 -0.925 1.00 0.00 C ATOM 39 O GLN A 3 -3.839 17.723 -0.578 1.00 0.00 O ATOM 40 CB GLN A 3 -3.491 17.413 -3.336 1.00 0.00 C ATOM 41 CG GLN A 3 -2.324 18.385 -3.278 1.00 0.00 C ATOM 42 CD GLN A 3 -2.502 19.538 -4.244 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.129 19.391 -5.295 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.961 20.695 -3.899 1.00 0.00 N ATOM 0 H GLN A 3 -4.134 14.358 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.412 15.710 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.595 17.051 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.408 17.951 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.224 18.773 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.399 17.857 -3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.449 20.777 -3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.056 21.505 -4.512 1.00 0.00 H new ATOM 53 N PRO A 4 -2.782 15.804 -0.037 1.00 0.00 N ATOM 54 CA PRO A 4 -2.792 16.043 1.416 1.00 0.00 C ATOM 55 C PRO A 4 -2.175 17.386 1.805 1.00 0.00 C ATOM 56 O PRO A 4 -2.811 18.192 2.486 1.00 0.00 O ATOM 57 CB PRO A 4 -1.958 14.884 1.975 1.00 0.00 C ATOM 58 CG PRO A 4 -2.038 13.823 0.937 1.00 0.00 C ATOM 59 CD PRO A 4 -2.099 14.544 -0.380 1.00 0.00 C ATOM 0 HA PRO A 4 -3.808 16.085 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.926 15.188 2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.355 14.535 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.170 13.165 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.920 13.199 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.104 14.722 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.653 13.975 -1.126 1.00 0.00 H new ATOM 67 N THR A 5 -0.929 17.610 1.377 1.00 0.00 N ATOM 68 CA THR A 5 -0.227 18.872 1.632 1.00 0.00 C ATOM 69 C THR A 5 0.069 19.063 3.134 1.00 0.00 C ATOM 70 O THR A 5 0.549 20.110 3.565 1.00 0.00 O ATOM 71 CB THR A 5 -1.056 20.061 1.089 1.00 0.00 C ATOM 72 OG1 THR A 5 -1.511 19.753 -0.241 1.00 0.00 O ATOM 73 CG2 THR A 5 -0.243 21.350 1.052 1.00 0.00 C ATOM 0 H THR A 5 -0.383 16.929 0.849 1.00 0.00 H new ATOM 0 HA THR A 5 0.729 18.836 1.110 1.00 0.00 H new ATOM 0 HB THR A 5 -1.901 20.214 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.303 19.178 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.862 22.159 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.091 21.599 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.624 21.215 0.405 1.00 0.00 H new ATOM 81 N SER A 6 -0.178 18.022 3.919 1.00 0.00 N ATOM 82 CA SER A 6 -0.020 18.095 5.366 1.00 0.00 C ATOM 83 C SER A 6 1.454 18.147 5.772 1.00 0.00 C ATOM 84 O SER A 6 1.798 18.653 6.840 1.00 0.00 O ATOM 85 CB SER A 6 -0.705 16.892 6.013 1.00 0.00 C ATOM 86 OG SER A 6 -2.006 16.715 5.478 1.00 0.00 O ATOM 0 H SER A 6 -0.490 17.113 3.576 1.00 0.00 H new ATOM 0 HA SER A 6 -0.487 19.016 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.111 15.994 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.765 17.037 7.092 1.00 0.00 H new ATOM 0 HG SER A 6 -2.431 15.940 5.901 1.00 0.00 H new ATOM 92 N ALA A 7 2.326 17.637 4.910 1.00 0.00 N ATOM 93 CA ALA A 7 3.750 17.604 5.205 1.00 0.00 C ATOM 94 C ALA A 7 4.425 18.883 4.719 1.00 0.00 C ATOM 95 O ALA A 7 5.065 18.902 3.670 1.00 0.00 O ATOM 96 CB ALA A 7 4.406 16.374 4.583 1.00 0.00 C ATOM 0 H ALA A 7 2.071 17.242 4.005 1.00 0.00 H new ATOM 0 HA ALA A 7 3.874 17.540 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.470 16.372 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.944 15.473 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.273 16.398 3.501 1.00 0.00 H new ATOM 102 N GLU A 8 4.243 19.958 5.470 1.00 0.00 N ATOM 103 CA GLU A 8 4.838 21.242 5.127 1.00 0.00 C ATOM 104 C GLU A 8 6.261 21.329 5.662 1.00 0.00 C ATOM 105 O GLU A 8 7.192 21.663 4.935 1.00 0.00 O ATOM 106 CB GLU A 8 3.996 22.384 5.698 1.00 0.00 C ATOM 107 CG GLU A 8 4.504 23.764 5.319 1.00 0.00 C ATOM 108 CD GLU A 8 3.622 24.868 5.854 1.00 0.00 C ATOM 109 OE1 GLU A 8 2.492 25.024 5.352 1.00 0.00 O ATOM 110 OE2 GLU A 8 4.056 25.591 6.778 1.00 0.00 O ATOM 0 H GLU A 8 3.686 19.967 6.324 1.00 0.00 H new ATOM 0 HA GLU A 8 4.866 21.330 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.969 22.276 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.974 22.300 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.516 23.894 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.561 23.842 4.233 1.00 0.00 H new ATOM 117 N ASN A 9 6.421 21.000 6.936 1.00 0.00 N ATOM 118 CA ASN A 9 7.720 21.063 7.599 1.00 0.00 C ATOM 119 C ASN A 9 8.420 19.716 7.532 1.00 0.00 C ATOM 120 O ASN A 9 9.282 19.411 8.358 1.00 0.00 O ATOM 121 CB ASN A 9 7.550 21.502 9.058 1.00 0.00 C ATOM 122 CG ASN A 9 6.710 20.536 9.881 1.00 0.00 C ATOM 123 OD1 ASN A 9 5.854 19.824 9.350 1.00 0.00 O ATOM 124 ND2 ASN A 9 6.940 20.515 11.183 1.00 0.00 N ATOM 0 H ASN A 9 5.661 20.684 7.538 1.00 0.00 H new ATOM 0 HA ASN A 9 8.337 21.798 7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.533 21.601 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.086 22.488 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.400 19.894 11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.657 21.119 11.584 1.00 0.00 H new ATOM 131 N SER A 10 8.030 18.920 6.536 1.00 0.00 N ATOM 132 CA SER A 10 8.587 17.590 6.301 1.00 0.00 C ATOM 133 C SER A 10 8.156 16.589 7.380 1.00 0.00 C ATOM 134 O SER A 10 8.459 15.397 7.279 1.00 0.00 O ATOM 135 CB SER A 10 10.114 17.650 6.193 1.00 0.00 C ATOM 136 OG SER A 10 10.515 18.523 5.144 1.00 0.00 O ATOM 0 H SER A 10 7.311 19.185 5.863 1.00 0.00 H new ATOM 0 HA SER A 10 8.187 17.235 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.536 17.992 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.509 16.651 6.011 1.00 0.00 H new ATOM 0 HG SER A 10 11.493 18.547 5.095 1.00 0.00 H new ATOM 142 N VAL A 11 7.441 17.102 8.395 1.00 0.00 N ATOM 143 CA VAL A 11 6.865 16.315 9.500 1.00 0.00 C ATOM 144 C VAL A 11 7.833 15.280 10.089 1.00 0.00 C ATOM 145 O VAL A 11 9.049 15.349 9.895 1.00 0.00 O ATOM 146 CB VAL A 11 5.529 15.625 9.100 1.00 0.00 C ATOM 147 CG1 VAL A 11 4.530 16.654 8.602 1.00 0.00 C ATOM 148 CG2 VAL A 11 5.730 14.526 8.062 1.00 0.00 C ATOM 0 H VAL A 11 7.242 18.099 8.472 1.00 0.00 H new ATOM 0 HA VAL A 11 6.661 17.047 10.281 1.00 0.00 H new ATOM 0 HB VAL A 11 5.133 15.147 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.601 16.155 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.332 17.380 9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.939 17.166 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.768 14.076 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.171 14.953 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.395 13.762 8.465 1.00 0.00 H new ATOM 158 N ALA A 12 7.281 14.353 10.860 1.00 0.00 N ATOM 159 CA ALA A 12 8.053 13.287 11.462 1.00 0.00 C ATOM 160 C ALA A 12 7.764 11.975 10.757 1.00 0.00 C ATOM 161 O ALA A 12 6.606 11.636 10.524 1.00 0.00 O ATOM 162 CB ALA A 12 7.729 13.175 12.940 1.00 0.00 C ATOM 0 H ALA A 12 6.286 14.323 11.082 1.00 0.00 H new ATOM 0 HA ALA A 12 9.114 13.516 11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.316 12.370 13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.970 14.114 13.438 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.668 12.960 13.065 1.00 0.00 H new ATOM 168 N LYS A 13 8.815 11.243 10.428 1.00 0.00 N ATOM 169 CA LYS A 13 8.680 9.991 9.690 1.00 0.00 C ATOM 170 C LYS A 13 8.643 8.794 10.636 1.00 0.00 C ATOM 171 O LYS A 13 9.018 7.678 10.281 1.00 0.00 O ATOM 172 CB LYS A 13 9.804 9.870 8.661 1.00 0.00 C ATOM 173 CG LYS A 13 9.700 10.930 7.574 1.00 0.00 C ATOM 174 CD LYS A 13 10.780 10.790 6.517 1.00 0.00 C ATOM 175 CE LYS A 13 10.574 11.791 5.387 1.00 0.00 C ATOM 176 NZ LYS A 13 10.601 13.199 5.869 1.00 0.00 N ATOM 0 H LYS A 13 9.776 11.493 10.660 1.00 0.00 H new ATOM 0 HA LYS A 13 7.730 9.998 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.767 9.960 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.773 8.880 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.721 10.863 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.767 11.919 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.759 10.945 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.771 9.777 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.351 11.652 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.619 11.594 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.627 13.844 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.749 13.389 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.446 13.349 6.456 1.00 0.00 H new ATOM 190 N LYS A 14 8.188 9.058 11.852 1.00 0.00 N ATOM 191 CA LYS A 14 7.842 8.019 12.811 1.00 0.00 C ATOM 192 C LYS A 14 6.436 8.311 13.324 1.00 0.00 C ATOM 193 O LYS A 14 6.097 8.064 14.482 1.00 0.00 O ATOM 194 CB LYS A 14 8.850 7.950 13.974 1.00 0.00 C ATOM 195 CG LYS A 14 9.015 9.242 14.768 1.00 0.00 C ATOM 196 CD LYS A 14 10.018 10.189 14.123 1.00 0.00 C ATOM 197 CE LYS A 14 10.170 11.468 14.933 1.00 0.00 C ATOM 198 NZ LYS A 14 11.182 12.390 14.349 1.00 0.00 N ATOM 0 H LYS A 14 8.048 10.005 12.203 1.00 0.00 H new ATOM 0 HA LYS A 14 7.876 7.046 12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.539 7.160 14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.822 7.661 13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.049 9.741 14.852 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.341 9.005 15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.985 9.694 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.693 10.433 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.208 11.977 14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.457 11.217 15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.250 13.247 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.107 11.916 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.897 12.652 13.384 1.00 0.00 H new ATOM 212 N GLU A 15 5.631 8.830 12.406 1.00 0.00 N ATOM 213 CA GLU A 15 4.297 9.352 12.686 1.00 0.00 C ATOM 214 C GLU A 15 3.351 8.311 13.301 1.00 0.00 C ATOM 215 O GLU A 15 2.916 8.464 14.444 1.00 0.00 O ATOM 216 CB GLU A 15 3.699 9.961 11.396 1.00 0.00 C ATOM 217 CG GLU A 15 3.440 8.986 10.237 1.00 0.00 C ATOM 218 CD GLU A 15 4.620 8.085 9.910 1.00 0.00 C ATOM 219 OE1 GLU A 15 5.536 8.527 9.192 1.00 0.00 O ATOM 220 OE2 GLU A 15 4.638 6.932 10.399 1.00 0.00 O ATOM 0 H GLU A 15 5.892 8.902 11.423 1.00 0.00 H new ATOM 0 HA GLU A 15 4.405 10.129 13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.757 10.446 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.373 10.741 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.579 8.365 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.175 9.558 9.347 1.00 0.00 H new ATOM 227 N ASP A 16 3.037 7.263 12.555 1.00 0.00 N ATOM 228 CA ASP A 16 2.074 6.263 13.004 1.00 0.00 C ATOM 229 C ASP A 16 2.789 4.958 13.297 1.00 0.00 C ATOM 230 O ASP A 16 2.235 4.061 13.931 1.00 0.00 O ATOM 231 CB ASP A 16 0.986 6.065 11.941 1.00 0.00 C ATOM 232 CG ASP A 16 -0.233 5.341 12.478 1.00 0.00 C ATOM 233 OD1 ASP A 16 -0.875 5.866 13.417 1.00 0.00 O ATOM 234 OD2 ASP A 16 -0.576 4.260 11.960 1.00 0.00 O ATOM 0 H ASP A 16 3.435 7.081 11.634 1.00 0.00 H new ATOM 0 HA ASP A 16 1.595 6.608 13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.684 7.037 11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.399 5.501 11.105 1.00 0.00 H new ATOM 239 N LYS A 17 4.041 4.914 12.848 1.00 0.00 N ATOM 240 CA LYS A 17 4.969 3.794 13.036 1.00 0.00 C ATOM 241 C LYS A 17 4.351 2.418 12.767 1.00 0.00 C ATOM 242 O LYS A 17 3.627 1.852 13.587 1.00 0.00 O ATOM 243 CB LYS A 17 5.674 3.829 14.411 1.00 0.00 C ATOM 244 CG LYS A 17 4.800 3.505 15.616 1.00 0.00 C ATOM 245 CD LYS A 17 4.252 4.752 16.282 1.00 0.00 C ATOM 246 CE LYS A 17 3.341 4.396 17.446 1.00 0.00 C ATOM 247 NZ LYS A 17 4.022 3.521 18.440 1.00 0.00 N ATOM 0 H LYS A 17 4.456 5.684 12.323 1.00 0.00 H new ATOM 0 HA LYS A 17 5.729 3.940 12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.505 3.124 14.389 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.102 4.822 14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.972 2.870 15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.381 2.934 16.341 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.076 5.370 16.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.700 5.345 15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.006 5.310 17.937 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.451 3.892 17.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.457 3.481 19.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.122 2.563 18.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.963 3.907 18.655 1.00 0.00 H new ATOM 261 N VAL A 18 4.656 1.877 11.598 1.00 0.00 N ATOM 262 CA VAL A 18 4.310 0.500 11.279 1.00 0.00 C ATOM 263 C VAL A 18 5.590 -0.289 11.018 1.00 0.00 C ATOM 264 O VAL A 18 5.988 -0.495 9.872 1.00 0.00 O ATOM 265 CB VAL A 18 3.370 0.400 10.053 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.913 -1.038 9.840 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.168 1.321 10.218 1.00 0.00 C ATOM 0 H VAL A 18 5.144 2.372 10.852 1.00 0.00 H new ATOM 0 HA VAL A 18 3.773 0.082 12.131 1.00 0.00 H new ATOM 0 HB VAL A 18 3.928 0.718 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.253 -1.086 8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.781 -1.674 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.377 -1.384 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.521 1.235 9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.612 1.037 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.510 2.351 10.316 1.00 0.00 H new ATOM 277 N PRO A 19 6.289 -0.691 12.091 1.00 0.00 N ATOM 278 CA PRO A 19 7.582 -1.339 12.000 1.00 0.00 C ATOM 279 C PRO A 19 7.522 -2.862 12.121 1.00 0.00 C ATOM 280 O PRO A 19 6.600 -3.411 12.730 1.00 0.00 O ATOM 281 CB PRO A 19 8.308 -0.746 13.205 1.00 0.00 C ATOM 282 CG PRO A 19 7.234 -0.421 14.207 1.00 0.00 C ATOM 283 CD PRO A 19 5.904 -0.516 13.494 1.00 0.00 C ATOM 0 HA PRO A 19 8.056 -1.172 11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.027 -1.455 13.617 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.866 0.148 12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.270 -1.116 15.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.380 0.579 14.615 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.312 -1.356 13.857 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.305 0.383 13.638 1.00 0.00 H new ATOM 291 N VAL A 20 8.512 -3.516 11.510 1.00 0.00 N ATOM 292 CA VAL A 20 8.757 -4.952 11.656 1.00 0.00 C ATOM 293 C VAL A 20 7.479 -5.789 11.587 1.00 0.00 C ATOM 294 O VAL A 20 6.876 -6.123 12.608 1.00 0.00 O ATOM 295 CB VAL A 20 9.504 -5.260 12.967 1.00 0.00 C ATOM 296 CG1 VAL A 20 9.878 -6.735 13.054 1.00 0.00 C ATOM 297 CG2 VAL A 20 10.743 -4.387 13.099 1.00 0.00 C ATOM 0 H VAL A 20 9.177 -3.055 10.889 1.00 0.00 H new ATOM 0 HA VAL A 20 9.380 -5.233 10.807 1.00 0.00 H new ATOM 0 HB VAL A 20 8.832 -5.033 13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.404 -6.922 13.990 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.974 -7.342 13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.524 -6.997 12.216 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.255 -4.621 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.413 -4.576 12.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.450 -3.337 13.100 1.00 0.00 H new ATOM 307 N LYS A 21 7.059 -6.102 10.381 1.00 0.00 N ATOM 308 CA LYS A 21 5.923 -6.982 10.177 1.00 0.00 C ATOM 309 C LYS A 21 6.418 -8.327 9.667 1.00 0.00 C ATOM 310 O LYS A 21 6.143 -9.362 10.267 1.00 0.00 O ATOM 311 CB LYS A 21 4.927 -6.358 9.196 1.00 0.00 C ATOM 312 CG LYS A 21 4.224 -5.108 9.724 1.00 0.00 C ATOM 313 CD LYS A 21 3.086 -5.440 10.690 1.00 0.00 C ATOM 314 CE LYS A 21 3.585 -5.899 12.054 1.00 0.00 C ATOM 315 NZ LYS A 21 4.202 -4.792 12.832 1.00 0.00 N ATOM 0 H LYS A 21 7.488 -5.760 9.521 1.00 0.00 H new ATOM 0 HA LYS A 21 5.404 -7.129 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.452 -6.104 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.174 -7.103 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.951 -4.472 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.829 -4.536 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.454 -4.561 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.462 -6.221 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.753 -6.318 12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.315 -6.698 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.110 -4.989 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.209 -4.713 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.719 -3.899 12.607 1.00 0.00 H new ATOM 329 N LYS A 22 7.144 -8.285 8.549 1.00 0.00 N ATOM 330 CA LYS A 22 7.849 -9.451 7.989 1.00 0.00 C ATOM 331 C LYS A 22 6.923 -10.584 7.527 1.00 0.00 C ATOM 332 O LYS A 22 7.379 -11.513 6.861 1.00 0.00 O ATOM 333 CB LYS A 22 8.871 -9.999 8.991 1.00 0.00 C ATOM 334 CG LYS A 22 9.956 -9.003 9.367 1.00 0.00 C ATOM 335 CD LYS A 22 11.015 -9.644 10.249 1.00 0.00 C ATOM 336 CE LYS A 22 11.779 -10.729 9.506 1.00 0.00 C ATOM 337 NZ LYS A 22 12.565 -10.180 8.370 1.00 0.00 N ATOM 0 H LYS A 22 7.264 -7.435 7.998 1.00 0.00 H new ATOM 0 HA LYS A 22 8.354 -9.080 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.348 -10.311 9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.338 -10.889 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.422 -8.611 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.510 -8.156 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.711 -8.881 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.543 -10.071 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.450 -11.238 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.078 -11.476 9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.222 -10.906 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.919 -9.900 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.104 -9.350 8.690 1.00 0.00 H new ATOM 351 N GLN A 23 5.641 -10.516 7.871 1.00 0.00 N ATOM 352 CA GLN A 23 4.689 -11.550 7.474 1.00 0.00 C ATOM 353 C GLN A 23 4.609 -11.650 5.954 1.00 0.00 C ATOM 354 O GLN A 23 4.474 -12.737 5.396 1.00 0.00 O ATOM 355 CB GLN A 23 3.306 -11.269 8.066 1.00 0.00 C ATOM 356 CG GLN A 23 2.283 -12.355 7.759 1.00 0.00 C ATOM 357 CD GLN A 23 0.931 -12.086 8.392 1.00 0.00 C ATOM 358 OE1 GLN A 23 0.542 -10.936 8.599 1.00 0.00 O ATOM 359 NE2 GLN A 23 0.198 -13.144 8.703 1.00 0.00 N ATOM 0 H GLN A 23 5.237 -9.759 8.422 1.00 0.00 H new ATOM 0 HA GLN A 23 5.041 -12.505 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.397 -11.161 9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.941 -10.317 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.163 -12.439 6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.661 -13.314 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.552 -14.082 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.721 -13.021 9.128 1.00 0.00 H new ATOM 368 N LYS A 24 4.702 -10.514 5.285 1.00 0.00 N ATOM 369 CA LYS A 24 4.767 -10.503 3.835 1.00 0.00 C ATOM 370 C LYS A 24 6.191 -10.818 3.400 1.00 0.00 C ATOM 371 O LYS A 24 7.032 -9.916 3.329 1.00 0.00 O ATOM 372 CB LYS A 24 4.344 -9.140 3.282 1.00 0.00 C ATOM 373 CG LYS A 24 4.176 -9.117 1.770 1.00 0.00 C ATOM 374 CD LYS A 24 4.127 -7.694 1.228 1.00 0.00 C ATOM 375 CE LYS A 24 5.516 -7.163 0.880 1.00 0.00 C ATOM 376 NZ LYS A 24 6.437 -7.157 2.049 1.00 0.00 N ATOM 0 H LYS A 24 4.734 -9.592 5.720 1.00 0.00 H new ATOM 0 HA LYS A 24 4.083 -11.256 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.403 -8.845 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.088 -8.396 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.002 -9.655 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.260 -9.641 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.496 -7.667 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.665 -7.041 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.946 -7.774 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.426 -6.150 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.310 -6.650 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.977 -6.681 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.668 -8.136 2.314 1.00 0.00 H new ATOM 390 N THR A 25 6.457 -12.095 3.136 1.00 0.00 N ATOM 391 CA THR A 25 7.802 -12.561 2.818 1.00 0.00 C ATOM 392 C THR A 25 8.261 -12.073 1.435 1.00 0.00 C ATOM 393 O THR A 25 8.235 -12.801 0.444 1.00 0.00 O ATOM 394 CB THR A 25 7.898 -14.105 2.933 1.00 0.00 C ATOM 395 OG1 THR A 25 9.206 -14.558 2.566 1.00 0.00 O ATOM 396 CG2 THR A 25 6.843 -14.802 2.079 1.00 0.00 C ATOM 0 H THR A 25 5.751 -12.831 3.137 1.00 0.00 H new ATOM 0 HA THR A 25 8.481 -12.128 3.553 1.00 0.00 H new ATOM 0 HB THR A 25 7.711 -14.365 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.249 -15.534 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.943 -15.882 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.849 -14.495 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.982 -14.527 1.033 1.00 0.00 H new ATOM 404 N ARG A 26 8.662 -10.811 1.400 1.00 0.00 N ATOM 405 CA ARG A 26 9.127 -10.130 0.195 1.00 0.00 C ATOM 406 C ARG A 26 9.862 -8.867 0.616 1.00 0.00 C ATOM 407 O ARG A 26 10.214 -8.720 1.789 1.00 0.00 O ATOM 408 CB ARG A 26 7.955 -9.765 -0.736 1.00 0.00 C ATOM 409 CG ARG A 26 7.511 -10.901 -1.642 1.00 0.00 C ATOM 410 CD ARG A 26 8.641 -11.338 -2.558 1.00 0.00 C ATOM 411 NE ARG A 26 8.349 -12.591 -3.244 1.00 0.00 N ATOM 412 CZ ARG A 26 9.028 -13.036 -4.299 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.009 -12.305 -4.822 1.00 0.00 N ATOM 414 NH2 ARG A 26 8.719 -14.216 -4.823 1.00 0.00 N ATOM 0 H ARG A 26 8.674 -10.215 2.228 1.00 0.00 H new ATOM 0 HA ARG A 26 9.788 -10.797 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.108 -9.445 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.245 -8.914 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.181 -11.746 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.656 -10.583 -2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.829 -10.558 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.555 -11.451 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 26 7.578 -13.161 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.243 -11.400 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.527 -12.650 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.967 -14.773 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.234 -14.566 -5.631 1.00 0.00 H new ATOM 428 N THR A 27 10.087 -7.960 -0.322 1.00 0.00 N ATOM 429 CA THR A 27 10.694 -6.677 -0.004 1.00 0.00 C ATOM 430 C THR A 27 9.794 -5.875 0.936 1.00 0.00 C ATOM 431 O THR A 27 8.565 -5.996 0.891 1.00 0.00 O ATOM 432 CB THR A 27 10.972 -5.874 -1.288 1.00 0.00 C ATOM 433 OG1 THR A 27 9.896 -6.060 -2.219 1.00 0.00 O ATOM 434 CG2 THR A 27 12.283 -6.312 -1.925 1.00 0.00 C ATOM 0 H THR A 27 9.859 -8.088 -1.308 1.00 0.00 H new ATOM 0 HA THR A 27 11.643 -6.866 0.499 1.00 0.00 H new ATOM 0 HB THR A 27 11.050 -4.819 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.076 -5.546 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.459 -5.732 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.101 -6.148 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.229 -7.371 -2.178 1.00 0.00 H new ATOM 442 N VAL A 28 10.400 -5.084 1.811 1.00 0.00 N ATOM 443 CA VAL A 28 9.644 -4.325 2.797 1.00 0.00 C ATOM 444 C VAL A 28 9.716 -2.829 2.517 1.00 0.00 C ATOM 445 O VAL A 28 10.542 -2.375 1.728 1.00 0.00 O ATOM 446 CB VAL A 28 10.138 -4.602 4.237 1.00 0.00 C ATOM 447 CG1 VAL A 28 9.906 -6.058 4.613 1.00 0.00 C ATOM 448 CG2 VAL A 28 11.609 -4.236 4.387 1.00 0.00 C ATOM 0 H VAL A 28 11.410 -4.952 1.858 1.00 0.00 H new ATOM 0 HA VAL A 28 8.608 -4.654 2.716 1.00 0.00 H new ATOM 0 HB VAL A 28 9.562 -3.976 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.260 -6.232 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.841 -6.283 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.450 -6.703 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.932 -4.440 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.204 -4.829 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.745 -3.177 4.168 1.00 0.00 H new ATOM 458 N PHE A 29 8.836 -2.077 3.161 1.00 0.00 N ATOM 459 CA PHE A 29 8.789 -0.639 3.006 1.00 0.00 C ATOM 460 C PHE A 29 9.127 0.040 4.326 1.00 0.00 C ATOM 461 O PHE A 29 9.240 -0.621 5.360 1.00 0.00 O ATOM 462 CB PHE A 29 7.396 -0.210 2.541 1.00 0.00 C ATOM 463 CG PHE A 29 7.039 -0.679 1.158 1.00 0.00 C ATOM 464 CD1 PHE A 29 7.384 0.076 0.050 1.00 0.00 C ATOM 465 CD2 PHE A 29 6.354 -1.868 0.966 1.00 0.00 C ATOM 466 CE1 PHE A 29 7.057 -0.344 -1.225 1.00 0.00 C ATOM 467 CE2 PHE A 29 6.024 -2.295 -0.306 1.00 0.00 C ATOM 468 CZ PHE A 29 6.375 -1.533 -1.403 1.00 0.00 C ATOM 0 H PHE A 29 8.137 -2.450 3.804 1.00 0.00 H new ATOM 0 HA PHE A 29 9.522 -0.340 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.656 -0.592 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.333 0.878 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.916 1.006 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.075 -2.468 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.333 0.255 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.492 -3.225 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.117 -1.865 -2.398 1.00 0.00 H new ATOM 478 N SER A 30 9.282 1.353 4.292 1.00 0.00 N ATOM 479 CA SER A 30 9.558 2.118 5.495 1.00 0.00 C ATOM 480 C SER A 30 8.259 2.386 6.249 1.00 0.00 C ATOM 481 O SER A 30 7.171 2.182 5.704 1.00 0.00 O ATOM 482 CB SER A 30 10.249 3.432 5.127 1.00 0.00 C ATOM 483 OG SER A 30 11.322 3.197 4.232 1.00 0.00 O ATOM 0 H SER A 30 9.221 1.912 3.441 1.00 0.00 H new ATOM 0 HA SER A 30 10.222 1.546 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.530 4.112 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.620 3.919 6.029 1.00 0.00 H new ATOM 0 HG SER A 30 10.975 3.116 3.319 1.00 0.00 H new ATOM 489 N SER A 31 8.373 2.850 7.490 1.00 0.00 N ATOM 490 CA SER A 31 7.205 3.094 8.329 1.00 0.00 C ATOM 491 C SER A 31 6.217 4.038 7.645 1.00 0.00 C ATOM 492 O SER A 31 5.059 3.683 7.442 1.00 0.00 O ATOM 493 CB SER A 31 7.634 3.679 9.679 1.00 0.00 C ATOM 494 OG SER A 31 6.513 3.914 10.513 1.00 0.00 O ATOM 0 H SER A 31 9.264 3.065 7.937 1.00 0.00 H new ATOM 0 HA SER A 31 6.707 2.138 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.322 2.993 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.174 4.612 9.519 1.00 0.00 H new ATOM 0 HG SER A 31 6.430 4.875 10.687 1.00 0.00 H new ATOM 500 N THR A 32 6.693 5.220 7.262 1.00 0.00 N ATOM 501 CA THR A 32 5.846 6.221 6.625 1.00 0.00 C ATOM 502 C THR A 32 5.165 5.659 5.378 1.00 0.00 C ATOM 503 O THR A 32 3.988 5.915 5.142 1.00 0.00 O ATOM 504 CB THR A 32 6.665 7.468 6.252 1.00 0.00 C ATOM 505 OG1 THR A 32 7.414 7.901 7.391 1.00 0.00 O ATOM 506 CG2 THR A 32 5.759 8.595 5.781 1.00 0.00 C ATOM 0 H THR A 32 7.664 5.507 7.383 1.00 0.00 H new ATOM 0 HA THR A 32 5.075 6.502 7.343 1.00 0.00 H new ATOM 0 HB THR A 32 7.341 7.208 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.808 8.303 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.364 9.465 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.200 8.270 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.063 8.860 6.577 1.00 0.00 H new ATOM 514 N GLN A 33 5.900 4.866 4.600 1.00 0.00 N ATOM 515 CA GLN A 33 5.349 4.256 3.394 1.00 0.00 C ATOM 516 C GLN A 33 4.151 3.375 3.737 1.00 0.00 C ATOM 517 O GLN A 33 3.092 3.488 3.123 1.00 0.00 O ATOM 518 CB GLN A 33 6.415 3.435 2.668 1.00 0.00 C ATOM 519 CG GLN A 33 7.525 4.279 2.066 1.00 0.00 C ATOM 520 CD GLN A 33 8.618 3.445 1.431 1.00 0.00 C ATOM 521 OE1 GLN A 33 9.583 3.065 2.088 1.00 0.00 O ATOM 522 NE2 GLN A 33 8.472 3.156 0.150 1.00 0.00 N ATOM 0 H GLN A 33 6.876 4.632 4.784 1.00 0.00 H new ATOM 0 HA GLN A 33 5.016 5.056 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.851 2.721 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.940 2.856 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.101 4.947 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.959 4.908 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.654 3.492 -0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.177 2.597 -0.330 1.00 0.00 H new ATOM 531 N LEU A 34 4.326 2.513 4.731 1.00 0.00 N ATOM 532 CA LEU A 34 3.254 1.635 5.181 1.00 0.00 C ATOM 533 C LEU A 34 2.108 2.439 5.794 1.00 0.00 C ATOM 534 O LEU A 34 0.936 2.138 5.561 1.00 0.00 O ATOM 535 CB LEU A 34 3.795 0.621 6.190 1.00 0.00 C ATOM 536 CG LEU A 34 4.833 -0.359 5.631 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.350 -1.280 6.724 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.239 -1.173 4.490 1.00 0.00 C ATOM 0 H LEU A 34 5.202 2.403 5.242 1.00 0.00 H new ATOM 0 HA LEU A 34 2.863 1.099 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.241 1.163 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.958 0.050 6.593 1.00 0.00 H new ATOM 0 HG LEU A 34 5.672 0.220 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.085 -1.966 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.816 -0.686 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.520 -1.849 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.990 -1.863 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.380 -1.737 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.920 -0.502 3.692 1.00 0.00 H new ATOM 550 N CYS A 35 2.450 3.466 6.566 1.00 0.00 N ATOM 551 CA CYS A 35 1.447 4.332 7.178 1.00 0.00 C ATOM 552 C CYS A 35 0.595 5.020 6.112 1.00 0.00 C ATOM 553 O CYS A 35 -0.625 5.092 6.240 1.00 0.00 O ATOM 554 CB CYS A 35 2.111 5.384 8.069 1.00 0.00 C ATOM 555 SG CYS A 35 3.071 4.701 9.439 1.00 0.00 S ATOM 0 H CYS A 35 3.414 3.719 6.783 1.00 0.00 H new ATOM 0 HA CYS A 35 0.799 3.706 7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.766 6.002 7.455 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.340 6.040 8.473 1.00 0.00 H new ATOM 0 HG CYS A 35 4.011 5.536 9.769 1.00 0.00 H new ATOM 561 N VAL A 36 1.240 5.507 5.057 1.00 0.00 N ATOM 562 CA VAL A 36 0.534 6.172 3.965 1.00 0.00 C ATOM 563 C VAL A 36 -0.366 5.186 3.219 1.00 0.00 C ATOM 564 O VAL A 36 -1.500 5.516 2.870 1.00 0.00 O ATOM 565 CB VAL A 36 1.512 6.855 2.979 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.768 7.440 1.788 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.298 7.948 3.687 1.00 0.00 C ATOM 0 H VAL A 36 2.251 5.454 4.934 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.087 6.949 4.410 1.00 0.00 H new ATOM 0 HB VAL A 36 2.204 6.097 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.479 7.914 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.241 6.644 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.050 8.182 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.982 8.420 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.609 8.696 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.867 7.513 4.508 1.00 0.00 H new ATOM 577 N LEU A 37 0.132 3.973 2.993 1.00 0.00 N ATOM 578 CA LEU A 37 -0.669 2.924 2.364 1.00 0.00 C ATOM 579 C LEU A 37 -1.940 2.681 3.171 1.00 0.00 C ATOM 580 O LEU A 37 -3.044 2.614 2.623 1.00 0.00 O ATOM 581 CB LEU A 37 0.130 1.623 2.258 1.00 0.00 C ATOM 582 CG LEU A 37 1.360 1.679 1.349 1.00 0.00 C ATOM 583 CD1 LEU A 37 2.120 0.363 1.398 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.953 1.999 -0.080 1.00 0.00 C ATOM 0 H LEU A 37 1.082 3.692 3.235 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.936 3.253 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.451 1.332 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.533 0.838 1.895 1.00 0.00 H new ATOM 0 HG LEU A 37 2.015 2.472 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.991 0.421 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.445 0.168 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.470 -0.445 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.841 2.035 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.277 1.227 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.449 2.965 -0.107 1.00 0.00 H new ATOM 596 N ASN A 38 -1.769 2.574 4.482 1.00 0.00 N ATOM 597 CA ASN A 38 -2.886 2.381 5.397 1.00 0.00 C ATOM 598 C ASN A 38 -3.802 3.594 5.367 1.00 0.00 C ATOM 599 O ASN A 38 -5.019 3.457 5.309 1.00 0.00 O ATOM 600 CB ASN A 38 -2.362 2.140 6.818 1.00 0.00 C ATOM 601 CG ASN A 38 -3.466 1.904 7.834 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.525 1.368 7.513 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.214 2.292 9.076 1.00 0.00 N ATOM 0 H ASN A 38 -0.858 2.618 4.939 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.457 1.508 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.695 1.278 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.769 3.000 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.912 2.149 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.322 2.733 9.301 1.00 0.00 H new ATOM 610 N ASP A 39 -3.197 4.779 5.375 1.00 0.00 N ATOM 611 CA ASP A 39 -3.937 6.039 5.325 1.00 0.00 C ATOM 612 C ASP A 39 -4.860 6.080 4.118 1.00 0.00 C ATOM 613 O ASP A 39 -6.033 6.426 4.238 1.00 0.00 O ATOM 614 CB ASP A 39 -2.969 7.226 5.278 1.00 0.00 C ATOM 615 CG ASP A 39 -3.678 8.546 5.039 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.881 8.913 3.859 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.041 9.216 6.028 1.00 0.00 O ATOM 0 H ASP A 39 -2.184 4.894 5.416 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.543 6.108 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.418 7.278 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.237 7.062 4.487 1.00 0.00 H new ATOM 622 N ARG A 40 -4.324 5.714 2.959 1.00 0.00 N ATOM 623 CA ARG A 40 -5.103 5.666 1.729 1.00 0.00 C ATOM 624 C ARG A 40 -6.356 4.825 1.912 1.00 0.00 C ATOM 625 O ARG A 40 -7.453 5.258 1.564 1.00 0.00 O ATOM 626 CB ARG A 40 -4.268 5.096 0.583 1.00 0.00 C ATOM 627 CG ARG A 40 -3.589 6.138 -0.298 1.00 0.00 C ATOM 628 CD ARG A 40 -2.534 6.940 0.449 1.00 0.00 C ATOM 629 NE ARG A 40 -3.102 8.054 1.209 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.175 9.302 0.757 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.772 9.591 -0.477 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.641 10.259 1.546 1.00 0.00 N ATOM 0 H ARG A 40 -3.347 5.445 2.846 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.396 6.687 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.503 4.441 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.911 4.477 -0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.126 5.641 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.342 6.818 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.996 6.279 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.805 7.326 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.464 7.861 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.406 8.854 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.829 10.550 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.941 10.036 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.699 11.218 1.204 1.00 0.00 H new ATOM 646 N PHE A 41 -6.189 3.633 2.478 1.00 0.00 N ATOM 647 CA PHE A 41 -7.311 2.728 2.697 1.00 0.00 C ATOM 648 C PHE A 41 -8.197 3.198 3.850 1.00 0.00 C ATOM 649 O PHE A 41 -9.364 2.817 3.946 1.00 0.00 O ATOM 650 CB PHE A 41 -6.811 1.310 2.949 1.00 0.00 C ATOM 651 CG PHE A 41 -6.289 0.674 1.700 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.071 0.658 0.561 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.021 0.117 1.650 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.608 0.101 -0.603 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.549 -0.451 0.481 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.345 -0.458 -0.650 1.00 0.00 C ATOM 0 H PHE A 41 -5.288 3.272 2.793 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.919 2.730 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.024 1.331 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.623 0.705 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.060 1.090 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.397 0.127 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.231 0.099 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.562 -0.888 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.981 -0.899 -1.566 1.00 0.00 H new ATOM 666 N GLN A 42 -7.639 4.011 4.737 1.00 0.00 N ATOM 667 CA GLN A 42 -8.420 4.582 5.830 1.00 0.00 C ATOM 668 C GLN A 42 -9.364 5.667 5.319 1.00 0.00 C ATOM 669 O GLN A 42 -10.548 5.678 5.655 1.00 0.00 O ATOM 670 CB GLN A 42 -7.513 5.155 6.925 1.00 0.00 C ATOM 671 CG GLN A 42 -6.718 4.107 7.684 1.00 0.00 C ATOM 672 CD GLN A 42 -7.591 2.997 8.228 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.107 3.086 9.341 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.753 1.939 7.451 1.00 0.00 N ATOM 0 H GLN A 42 -6.658 4.289 4.724 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.012 3.774 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.820 5.864 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.125 5.714 7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.963 3.680 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.188 4.584 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.307 1.906 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.324 1.156 7.768 1.00 0.00 H new ATOM 683 N ARG A 43 -8.845 6.568 4.493 1.00 0.00 N ATOM 684 CA ARG A 43 -9.643 7.681 3.991 1.00 0.00 C ATOM 685 C ARG A 43 -10.662 7.184 2.973 1.00 0.00 C ATOM 686 O ARG A 43 -11.794 7.668 2.922 1.00 0.00 O ATOM 687 CB ARG A 43 -8.752 8.760 3.364 1.00 0.00 C ATOM 688 CG ARG A 43 -7.521 9.095 4.188 1.00 0.00 C ATOM 689 CD ARG A 43 -7.873 9.412 5.630 1.00 0.00 C ATOM 690 NE ARG A 43 -6.682 9.416 6.474 1.00 0.00 N ATOM 691 CZ ARG A 43 -6.680 9.164 7.780 1.00 0.00 C ATOM 692 NH1 ARG A 43 -7.810 8.912 8.425 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.531 9.151 8.440 1.00 0.00 N ATOM 0 H ARG A 43 -7.882 6.551 4.158 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.172 8.125 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.436 8.427 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.340 9.667 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.826 8.256 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.008 9.948 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.363 10.384 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.585 8.676 6.004 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.788 9.627 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.696 8.910 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.794 8.720 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.657 9.333 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.520 8.959 9.442 1.00 0.00 H new ATOM 707 N GLN A 44 -10.255 6.216 2.170 1.00 0.00 N ATOM 708 CA GLN A 44 -11.147 5.598 1.206 1.00 0.00 C ATOM 709 C GLN A 44 -10.853 4.107 1.171 1.00 0.00 C ATOM 710 O GLN A 44 -9.693 3.710 1.132 1.00 0.00 O ATOM 711 CB GLN A 44 -10.945 6.227 -0.179 1.00 0.00 C ATOM 712 CG GLN A 44 -12.236 6.437 -0.960 1.00 0.00 C ATOM 713 CD GLN A 44 -12.887 5.143 -1.400 1.00 0.00 C ATOM 714 OE1 GLN A 44 -13.693 4.559 -0.676 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.552 4.691 -2.596 1.00 0.00 N ATOM 0 H GLN A 44 -9.307 5.840 2.167 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.186 5.758 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.444 7.188 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.280 5.590 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.938 6.998 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.026 7.047 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.880 5.205 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.966 3.828 -2.949 1.00 0.00 H new ATOM 724 N LYS A 45 -11.896 3.287 1.167 1.00 0.00 N ATOM 725 CA LYS A 45 -11.734 1.847 1.350 1.00 0.00 C ATOM 726 C LYS A 45 -10.948 1.203 0.208 1.00 0.00 C ATOM 727 O LYS A 45 -10.370 0.133 0.379 1.00 0.00 O ATOM 728 CB LYS A 45 -13.096 1.164 1.519 1.00 0.00 C ATOM 729 CG LYS A 45 -14.075 1.414 0.383 1.00 0.00 C ATOM 730 CD LYS A 45 -15.394 0.701 0.628 1.00 0.00 C ATOM 731 CE LYS A 45 -15.206 -0.804 0.704 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.481 -1.514 0.969 1.00 0.00 N ATOM 0 H LYS A 45 -12.861 3.591 1.040 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.154 1.705 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.939 0.090 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.546 1.506 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.251 2.485 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.642 1.070 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.837 1.061 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.093 0.942 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.780 -1.163 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.490 -1.040 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.305 -2.538 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.876 -1.191 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.157 -1.311 0.205 1.00 0.00 H new ATOM 746 N TYR A 46 -10.927 1.853 -0.951 1.00 0.00 N ATOM 747 CA TYR A 46 -10.142 1.371 -2.082 1.00 0.00 C ATOM 748 C TYR A 46 -9.438 2.532 -2.771 1.00 0.00 C ATOM 749 O TYR A 46 -9.731 3.696 -2.496 1.00 0.00 O ATOM 750 CB TYR A 46 -11.019 0.613 -3.085 1.00 0.00 C ATOM 751 CG TYR A 46 -11.584 -0.679 -2.535 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.744 -1.681 -2.061 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.954 -0.892 -2.478 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.256 -2.858 -1.546 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.474 -2.064 -1.964 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.623 -3.045 -1.501 1.00 0.00 C ATOM 757 OH TYR A 46 -13.144 -4.214 -0.987 1.00 0.00 O ATOM 0 H TYR A 46 -11.444 2.714 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.392 0.679 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.842 1.257 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.431 0.393 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.674 -1.538 -2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.625 -0.128 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.590 -3.626 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.543 -2.211 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.123 -4.182 -1.029 1.00 0.00 H new ATOM 767 N LEU A 47 -8.507 2.214 -3.658 1.00 0.00 N ATOM 768 CA LEU A 47 -7.739 3.236 -4.346 1.00 0.00 C ATOM 769 C LEU A 47 -8.418 3.657 -5.638 1.00 0.00 C ATOM 770 O LEU A 47 -8.771 2.825 -6.474 1.00 0.00 O ATOM 771 CB LEU A 47 -6.315 2.753 -4.641 1.00 0.00 C ATOM 772 CG LEU A 47 -5.438 2.524 -3.411 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.074 1.984 -3.819 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.283 3.816 -2.625 1.00 0.00 C ATOM 0 H LEU A 47 -8.267 1.257 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.685 4.100 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.374 1.822 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.826 3.484 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.924 1.785 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.464 1.827 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.200 1.037 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.581 2.700 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.656 3.638 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.818 4.573 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.264 4.165 -2.302 1.00 0.00 H new ATOM 786 N SER A 48 -8.601 4.957 -5.781 1.00 0.00 N ATOM 787 CA SER A 48 -9.127 5.531 -6.997 1.00 0.00 C ATOM 788 C SER A 48 -7.978 5.772 -7.966 1.00 0.00 C ATOM 789 O SER A 48 -6.813 5.553 -7.623 1.00 0.00 O ATOM 790 CB SER A 48 -9.852 6.845 -6.678 1.00 0.00 C ATOM 791 OG SER A 48 -10.378 7.449 -7.845 1.00 0.00 O ATOM 0 H SER A 48 -8.388 5.641 -5.055 1.00 0.00 H new ATOM 0 HA SER A 48 -9.843 4.848 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.660 6.653 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.161 7.533 -6.192 1.00 0.00 H new ATOM 0 HG SER A 48 -10.834 8.282 -7.605 1.00 0.00 H new ATOM 797 N LEU A 49 -8.305 6.255 -9.153 1.00 0.00 N ATOM 798 CA LEU A 49 -7.323 6.501 -10.189 1.00 0.00 C ATOM 799 C LEU A 49 -6.405 7.630 -9.757 1.00 0.00 C ATOM 800 O LEU A 49 -5.207 7.624 -10.027 1.00 0.00 O ATOM 801 CB LEU A 49 -8.027 6.862 -11.502 1.00 0.00 C ATOM 802 CG LEU A 49 -8.594 5.688 -12.318 1.00 0.00 C ATOM 803 CD1 LEU A 49 -7.509 4.665 -12.619 1.00 0.00 C ATOM 804 CD2 LEU A 49 -9.771 5.039 -11.600 1.00 0.00 C ATOM 0 H LEU A 49 -9.261 6.487 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.730 5.600 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.844 7.547 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.321 7.406 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.959 6.083 -13.266 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.933 3.844 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.712 5.138 -13.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.103 4.279 -11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.152 4.212 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.444 4.664 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.561 5.776 -11.456 1.00 0.00 H new ATOM 816 N GLN A 50 -6.993 8.588 -9.065 1.00 0.00 N ATOM 817 CA GLN A 50 -6.269 9.711 -8.518 1.00 0.00 C ATOM 818 C GLN A 50 -5.441 9.283 -7.308 1.00 0.00 C ATOM 819 O GLN A 50 -4.296 9.695 -7.147 1.00 0.00 O ATOM 820 CB GLN A 50 -7.260 10.809 -8.127 1.00 0.00 C ATOM 821 CG GLN A 50 -7.822 11.602 -9.305 1.00 0.00 C ATOM 822 CD GLN A 50 -8.673 10.769 -10.253 1.00 0.00 C ATOM 823 OE1 GLN A 50 -9.329 9.807 -9.848 1.00 0.00 O ATOM 824 NE2 GLN A 50 -8.660 11.135 -11.525 1.00 0.00 N ATOM 0 H GLN A 50 -7.994 8.605 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.583 10.095 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.088 10.356 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.767 11.499 -7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.422 12.428 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.995 12.041 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.103 11.938 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.207 10.614 -12.211 1.00 0.00 H new ATOM 833 N GLN A 51 -6.017 8.427 -6.475 1.00 0.00 N ATOM 834 CA GLN A 51 -5.354 7.982 -5.260 1.00 0.00 C ATOM 835 C GLN A 51 -4.123 7.140 -5.574 1.00 0.00 C ATOM 836 O GLN A 51 -3.084 7.294 -4.937 1.00 0.00 O ATOM 837 CB GLN A 51 -6.320 7.180 -4.393 1.00 0.00 C ATOM 838 CG GLN A 51 -7.506 7.981 -3.881 1.00 0.00 C ATOM 839 CD GLN A 51 -8.480 7.136 -3.080 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.678 7.396 -3.073 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.972 6.126 -2.390 1.00 0.00 N ATOM 0 H GLN A 51 -6.944 8.027 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.031 8.869 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.690 6.332 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.775 6.773 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.145 8.800 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.029 8.429 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.969 5.941 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.583 5.534 -1.828 1.00 0.00 H new ATOM 850 N MET A 52 -4.238 6.251 -6.555 1.00 0.00 N ATOM 851 CA MET A 52 -3.126 5.375 -6.913 1.00 0.00 C ATOM 852 C MET A 52 -1.969 6.165 -7.525 1.00 0.00 C ATOM 853 O MET A 52 -0.808 5.891 -7.227 1.00 0.00 O ATOM 854 CB MET A 52 -3.586 4.262 -7.864 1.00 0.00 C ATOM 855 CG MET A 52 -4.077 4.754 -9.216 1.00 0.00 C ATOM 856 SD MET A 52 -4.683 3.424 -10.273 1.00 0.00 S ATOM 857 CE MET A 52 -6.092 2.846 -9.332 1.00 0.00 C ATOM 0 H MET A 52 -5.082 6.118 -7.113 1.00 0.00 H new ATOM 0 HA MET A 52 -2.765 4.911 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.758 3.570 -8.021 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.386 3.698 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.874 5.482 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.264 5.273 -9.724 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.506 1.956 -9.806 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.777 2.604 -8.317 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.852 3.626 -9.299 1.00 0.00 H new ATOM 867 N GLN A 53 -2.284 7.161 -8.356 1.00 0.00 N ATOM 868 CA GLN A 53 -1.246 7.973 -8.986 1.00 0.00 C ATOM 869 C GLN A 53 -0.595 8.894 -7.957 1.00 0.00 C ATOM 870 O GLN A 53 0.607 9.163 -8.021 1.00 0.00 O ATOM 871 CB GLN A 53 -1.808 8.783 -10.165 1.00 0.00 C ATOM 872 CG GLN A 53 -2.908 9.764 -9.791 1.00 0.00 C ATOM 873 CD GLN A 53 -3.515 10.471 -10.990 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.983 11.603 -10.883 1.00 0.00 O ATOM 875 NE2 GLN A 53 -3.512 9.812 -12.140 1.00 0.00 N ATOM 0 H GLN A 53 -3.238 7.421 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.485 7.300 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.992 9.334 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.195 8.091 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.694 9.231 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.504 10.509 -9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.114 8.874 -12.189 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.907 10.243 -12.976 1.00 0.00 H new ATOM 884 N GLU A 54 -1.394 9.359 -6.998 1.00 0.00 N ATOM 885 CA GLU A 54 -0.877 10.156 -5.895 1.00 0.00 C ATOM 886 C GLU A 54 0.089 9.318 -5.071 1.00 0.00 C ATOM 887 O GLU A 54 1.219 9.730 -4.817 1.00 0.00 O ATOM 888 CB GLU A 54 -2.025 10.660 -5.012 1.00 0.00 C ATOM 889 CG GLU A 54 -1.589 11.647 -3.937 1.00 0.00 C ATOM 890 CD GLU A 54 -2.739 12.106 -3.063 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.639 12.802 -3.577 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.751 11.766 -1.861 1.00 0.00 O ATOM 0 H GLU A 54 -2.400 9.196 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.350 11.021 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.775 11.135 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.505 9.806 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.826 11.183 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.129 12.514 -4.411 1.00 0.00 H new ATOM 899 N LEU A 55 -0.356 8.122 -4.697 1.00 0.00 N ATOM 900 CA LEU A 55 0.434 7.211 -3.880 1.00 0.00 C ATOM 901 C LEU A 55 1.788 6.942 -4.529 1.00 0.00 C ATOM 902 O LEU A 55 2.834 7.080 -3.889 1.00 0.00 O ATOM 903 CB LEU A 55 -0.347 5.902 -3.668 1.00 0.00 C ATOM 904 CG LEU A 55 0.187 4.944 -2.587 1.00 0.00 C ATOM 905 CD1 LEU A 55 1.422 4.192 -3.062 1.00 0.00 C ATOM 906 CD2 LEU A 55 0.496 5.705 -1.309 1.00 0.00 C ATOM 0 H LEU A 55 -1.274 7.759 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 55 0.620 7.670 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.377 6.157 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.373 5.364 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.593 4.210 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.769 3.526 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.173 3.606 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.209 4.904 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.872 5.013 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.250 6.466 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.412 6.183 -0.941 1.00 0.00 H new ATOM 918 N SER A 56 1.759 6.571 -5.801 1.00 0.00 N ATOM 919 CA SER A 56 2.980 6.254 -6.528 1.00 0.00 C ATOM 920 C SER A 56 3.940 7.440 -6.571 1.00 0.00 C ATOM 921 O SER A 56 5.152 7.267 -6.449 1.00 0.00 O ATOM 922 CB SER A 56 2.659 5.779 -7.951 1.00 0.00 C ATOM 923 OG SER A 56 1.759 6.657 -8.610 1.00 0.00 O ATOM 0 H SER A 56 0.904 6.482 -6.351 1.00 0.00 H new ATOM 0 HA SER A 56 3.474 5.446 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.582 5.706 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.228 4.779 -7.912 1.00 0.00 H new ATOM 0 HG SER A 56 1.656 7.476 -8.082 1.00 0.00 H new ATOM 929 N ASN A 57 3.397 8.643 -6.708 1.00 0.00 N ATOM 930 CA ASN A 57 4.227 9.837 -6.838 1.00 0.00 C ATOM 931 C ASN A 57 4.867 10.206 -5.502 1.00 0.00 C ATOM 932 O ASN A 57 5.990 10.709 -5.462 1.00 0.00 O ATOM 933 CB ASN A 57 3.407 11.016 -7.375 1.00 0.00 C ATOM 934 CG ASN A 57 4.258 12.249 -7.645 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.442 13.100 -6.775 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.785 12.355 -8.859 1.00 0.00 N ATOM 0 H ASN A 57 2.393 8.819 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 57 5.021 9.613 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.907 10.716 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.627 11.268 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.364 13.161 -9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.611 11.630 -9.555 1.00 0.00 H new ATOM 943 N ILE A 58 4.163 9.936 -4.405 1.00 0.00 N ATOM 944 CA ILE A 58 4.672 10.273 -3.083 1.00 0.00 C ATOM 945 C ILE A 58 5.810 9.341 -2.687 1.00 0.00 C ATOM 946 O ILE A 58 6.847 9.783 -2.187 1.00 0.00 O ATOM 947 CB ILE A 58 3.569 10.201 -2.003 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.368 11.052 -2.421 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.114 10.665 -0.657 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.293 11.171 -1.358 1.00 0.00 C ATOM 0 H ILE A 58 3.246 9.489 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 58 5.036 11.299 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 58 3.242 9.166 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.718 12.051 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.928 10.623 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.326 10.609 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.944 10.024 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.462 11.694 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.478 11.790 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.913 10.179 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.715 11.630 -0.464 1.00 0.00 H new ATOM 962 N LEU A 59 5.627 8.049 -2.932 1.00 0.00 N ATOM 963 CA LEU A 59 6.601 7.060 -2.494 1.00 0.00 C ATOM 964 C LEU A 59 7.634 6.780 -3.580 1.00 0.00 C ATOM 965 O LEU A 59 8.544 5.975 -3.386 1.00 0.00 O ATOM 966 CB LEU A 59 5.902 5.761 -2.078 1.00 0.00 C ATOM 967 CG LEU A 59 4.815 5.919 -1.009 1.00 0.00 C ATOM 968 CD1 LEU A 59 4.322 4.558 -0.547 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.327 6.730 0.175 1.00 0.00 C ATOM 0 H LEU A 59 4.821 7.666 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 59 7.123 7.470 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.456 5.308 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.654 5.064 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 59 3.980 6.460 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.551 4.689 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.908 4.014 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.154 3.994 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.536 6.827 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.183 6.223 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.628 7.721 -0.166 1.00 0.00 H new ATOM 981 N ASN A 60 7.486 7.470 -4.708 1.00 0.00 N ATOM 982 CA ASN A 60 8.360 7.291 -5.870 1.00 0.00 C ATOM 983 C ASN A 60 8.326 5.832 -6.331 1.00 0.00 C ATOM 984 O ASN A 60 9.353 5.218 -6.636 1.00 0.00 O ATOM 985 CB ASN A 60 9.793 7.743 -5.563 1.00 0.00 C ATOM 986 CG ASN A 60 10.657 7.833 -6.812 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.157 8.051 -7.916 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.963 7.692 -6.643 1.00 0.00 N ATOM 0 H ASN A 60 6.757 8.170 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 60 7.990 7.919 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.766 8.716 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.248 7.045 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.591 7.763 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.340 7.512 -5.713 1.00 0.00 H new ATOM 995 N LEU A 61 7.121 5.294 -6.382 1.00 0.00 N ATOM 996 CA LEU A 61 6.897 3.935 -6.831 1.00 0.00 C ATOM 997 C LEU A 61 6.214 3.983 -8.185 1.00 0.00 C ATOM 998 O LEU A 61 5.759 5.043 -8.613 1.00 0.00 O ATOM 999 CB LEU A 61 6.038 3.173 -5.811 1.00 0.00 C ATOM 1000 CG LEU A 61 5.890 1.670 -6.062 1.00 0.00 C ATOM 1001 CD1 LEU A 61 7.247 0.983 -6.002 1.00 0.00 C ATOM 1002 CD2 LEU A 61 4.938 1.055 -5.050 1.00 0.00 C ATOM 0 H LEU A 61 6.271 5.789 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 61 7.847 3.409 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.469 3.317 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.044 3.620 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 61 5.475 1.526 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.123 -0.085 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.903 1.406 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.689 1.135 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.844 -0.014 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.327 1.210 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.959 1.527 -5.137 1.00 0.00 H new ATOM 1014 N SER A 62 6.148 2.853 -8.859 1.00 0.00 N ATOM 1015 CA SER A 62 5.538 2.794 -10.165 1.00 0.00 C ATOM 1016 C SER A 62 4.023 2.830 -10.037 1.00 0.00 C ATOM 1017 O SER A 62 3.452 2.168 -9.169 1.00 0.00 O ATOM 1018 CB SER A 62 5.986 1.524 -10.887 1.00 0.00 C ATOM 1019 OG SER A 62 5.250 1.324 -12.081 1.00 0.00 O ATOM 0 H SER A 62 6.511 1.962 -8.520 1.00 0.00 H new ATOM 0 HA SER A 62 5.854 3.659 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.049 1.591 -11.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.857 0.664 -10.229 1.00 0.00 H new ATOM 0 HG SER A 62 5.559 0.506 -12.523 1.00 0.00 H new ATOM 1025 N TYR A 63 3.387 3.608 -10.901 1.00 0.00 N ATOM 1026 CA TYR A 63 1.932 3.660 -10.980 1.00 0.00 C ATOM 1027 C TYR A 63 1.385 2.267 -11.249 1.00 0.00 C ATOM 1028 O TYR A 63 0.337 1.876 -10.735 1.00 0.00 O ATOM 1029 CB TYR A 63 1.518 4.636 -12.090 1.00 0.00 C ATOM 1030 CG TYR A 63 0.071 4.530 -12.526 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.955 5.072 -11.765 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.263 3.887 -13.712 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.271 4.975 -12.173 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.576 3.788 -14.127 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.577 4.331 -13.354 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.888 4.239 -13.766 1.00 0.00 O ATOM 0 H TYR A 63 3.862 4.219 -11.565 1.00 0.00 H new ATOM 0 HA TYR A 63 1.520 4.013 -10.035 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.705 5.654 -11.747 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.157 4.469 -12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.721 5.577 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.519 3.457 -14.320 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.058 5.402 -11.569 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.816 3.287 -15.053 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.930 3.756 -14.618 1.00 0.00 H new ATOM 1046 N LYS A 64 2.137 1.508 -12.030 1.00 0.00 N ATOM 1047 CA LYS A 64 1.766 0.156 -12.373 1.00 0.00 C ATOM 1048 C LYS A 64 1.900 -0.746 -11.154 1.00 0.00 C ATOM 1049 O LYS A 64 1.075 -1.629 -10.932 1.00 0.00 O ATOM 1050 CB LYS A 64 2.652 -0.343 -13.507 1.00 0.00 C ATOM 1051 CG LYS A 64 2.710 0.614 -14.687 1.00 0.00 C ATOM 1052 CD LYS A 64 3.545 0.061 -15.832 1.00 0.00 C ATOM 1053 CE LYS A 64 3.731 1.097 -16.926 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.378 0.526 -18.135 1.00 0.00 N ATOM 0 H LYS A 64 3.019 1.816 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 64 0.727 0.137 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.661 -0.503 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.283 -1.310 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.699 0.815 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.128 1.566 -14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.519 -0.254 -15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.061 -0.824 -16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.761 1.514 -17.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.337 1.920 -16.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.485 1.269 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.315 0.151 -17.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.788 -0.242 -18.515 1.00 0.00 H new ATOM 1068 N GLN A 65 2.937 -0.507 -10.357 1.00 0.00 N ATOM 1069 CA GLN A 65 3.150 -1.274 -9.138 1.00 0.00 C ATOM 1070 C GLN A 65 2.067 -0.962 -8.111 1.00 0.00 C ATOM 1071 O GLN A 65 1.544 -1.868 -7.467 1.00 0.00 O ATOM 1072 CB GLN A 65 4.537 -0.988 -8.552 1.00 0.00 C ATOM 1073 CG GLN A 65 5.680 -1.589 -9.355 1.00 0.00 C ATOM 1074 CD GLN A 65 5.611 -3.102 -9.424 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.142 -3.796 -8.561 1.00 0.00 O ATOM 1076 NE2 GLN A 65 4.964 -3.626 -10.454 1.00 0.00 N ATOM 0 H GLN A 65 3.640 0.210 -10.534 1.00 0.00 H new ATOM 0 HA GLN A 65 3.094 -2.333 -9.390 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.678 0.091 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.578 -1.376 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.663 -1.182 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.629 -1.292 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.536 -3.017 -11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.894 -4.639 -10.550 1.00 0.00 H new ATOM 1085 N VAL A 66 1.717 0.316 -7.978 1.00 0.00 N ATOM 1086 CA VAL A 66 0.682 0.721 -7.027 1.00 0.00 C ATOM 1087 C VAL A 66 -0.667 0.119 -7.419 1.00 0.00 C ATOM 1088 O VAL A 66 -1.384 -0.440 -6.583 1.00 0.00 O ATOM 1089 CB VAL A 66 0.558 2.258 -6.925 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.586 2.651 -5.998 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.864 2.852 -6.435 1.00 0.00 C ATOM 0 H VAL A 66 2.129 1.082 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 66 0.979 0.344 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 66 0.339 2.653 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.653 3.738 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.522 2.249 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.402 2.248 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.768 3.936 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.102 2.446 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.662 2.602 -7.134 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.987 0.219 -8.703 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.225 -0.324 -9.243 1.00 0.00 C ATOM 1103 C LYS A 67 -2.290 -1.846 -9.059 1.00 0.00 C ATOM 1104 O LYS A 67 -3.324 -2.392 -8.679 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.347 0.097 -10.723 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.184 -0.817 -11.610 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.331 -1.925 -12.215 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.096 -2.745 -13.233 1.00 0.00 C ATOM 1109 NZ LYS A 67 -2.306 -3.917 -13.691 1.00 0.00 N ATOM 0 H LYS A 67 -0.397 0.678 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.077 0.080 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.775 1.099 -10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.344 0.162 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.993 -1.255 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.646 -0.233 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.453 -1.487 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.971 -2.579 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.035 -3.086 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.351 -2.120 -14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.858 -4.457 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.422 -3.590 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.084 -4.526 -12.877 1.00 0.00 H new ATOM 1123 N THR A 68 -1.176 -2.515 -9.289 1.00 0.00 N ATOM 1124 CA THR A 68 -1.117 -3.968 -9.192 1.00 0.00 C ATOM 1125 C THR A 68 -1.182 -4.413 -7.730 1.00 0.00 C ATOM 1126 O THR A 68 -1.779 -5.445 -7.405 1.00 0.00 O ATOM 1127 CB THR A 68 0.171 -4.511 -9.855 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.201 -4.132 -11.238 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.259 -6.025 -9.745 1.00 0.00 C ATOM 0 H THR A 68 -0.292 -2.075 -9.546 1.00 0.00 H new ATOM 0 HA THR A 68 -1.978 -4.376 -9.721 1.00 0.00 H new ATOM 0 HB THR A 68 1.024 -4.080 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.613 -3.247 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.176 -6.372 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.264 -6.314 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.600 -6.476 -10.241 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.587 -3.613 -6.851 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.551 -3.921 -5.430 1.00 0.00 C ATOM 1139 C TRP A 69 -1.955 -4.036 -4.850 1.00 0.00 C ATOM 1140 O TRP A 69 -2.320 -5.075 -4.291 1.00 0.00 O ATOM 1141 CB TRP A 69 0.230 -2.842 -4.680 1.00 0.00 C ATOM 1142 CG TRP A 69 1.549 -3.315 -4.155 1.00 0.00 C ATOM 1143 CD1 TRP A 69 2.727 -3.395 -4.839 1.00 0.00 C ATOM 1144 CD2 TRP A 69 1.820 -3.779 -2.830 1.00 0.00 C ATOM 1145 NE1 TRP A 69 3.716 -3.878 -4.017 1.00 0.00 N ATOM 1146 CE2 TRP A 69 3.183 -4.124 -2.778 1.00 0.00 C ATOM 1147 CE3 TRP A 69 1.042 -3.942 -1.683 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 3.783 -4.616 -1.622 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 1.638 -4.426 -0.536 1.00 0.00 C ATOM 1150 CH2 TRP A 69 2.996 -4.761 -0.513 1.00 0.00 C ATOM 0 H TRP A 69 -0.121 -2.741 -7.103 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.053 -4.883 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.396 -1.995 -5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.374 -2.479 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.862 -3.119 -5.874 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.689 -4.029 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.009 -3.694 -1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.832 -4.874 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.046 -4.548 0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.432 -5.142 0.399 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.755 -2.988 -5.012 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.075 -2.963 -4.403 1.00 0.00 C ATOM 1163 C PHE A 70 -5.009 -3.948 -5.101 1.00 0.00 C ATOM 1164 O PHE A 70 -5.881 -4.537 -4.465 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.668 -1.539 -4.387 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.446 -1.147 -5.615 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -4.811 -0.581 -6.704 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.821 -1.333 -5.668 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -5.527 -0.210 -7.826 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.543 -0.963 -6.786 1.00 0.00 C ATOM 1171 CZ PHE A 70 -6.894 -0.401 -7.868 1.00 0.00 C ATOM 0 H PHE A 70 -2.515 -2.157 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.969 -3.276 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.321 -1.446 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.854 -0.827 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.742 -0.427 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.332 -1.773 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.017 0.230 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.612 -1.113 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.454 -0.112 -8.745 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.814 -4.142 -6.408 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.660 -5.061 -7.156 1.00 0.00 C ATOM 1183 C GLN A 71 -5.471 -6.496 -6.679 1.00 0.00 C ATOM 1184 O GLN A 71 -6.441 -7.177 -6.370 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.401 -4.975 -8.661 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.940 -3.707 -9.296 1.00 0.00 C ATOM 1187 CD GLN A 71 -5.842 -3.724 -10.807 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -4.967 -4.369 -11.382 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -6.739 -3.001 -11.459 1.00 0.00 N ATOM 0 H GLN A 71 -4.089 -3.681 -6.958 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.691 -4.761 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.328 -5.034 -8.841 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.854 -5.838 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.982 -3.574 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.389 -2.849 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.448 -2.481 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.721 -2.964 -12.478 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.222 -6.941 -6.590 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.928 -8.326 -6.231 1.00 0.00 C ATOM 1200 C ASN A 72 -4.352 -8.639 -4.803 1.00 0.00 C ATOM 1201 O ASN A 72 -4.756 -9.766 -4.506 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.444 -8.651 -6.421 1.00 0.00 C ATOM 1203 CG ASN A 72 -2.099 -9.000 -7.859 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.932 -9.524 -8.603 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.867 -8.719 -8.259 1.00 0.00 N ATOM 0 H ASN A 72 -3.398 -6.365 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.509 -8.955 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.846 -7.796 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.173 -9.485 -5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.578 -8.936 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.207 -8.285 -7.613 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.272 -7.648 -3.922 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.733 -7.824 -2.552 1.00 0.00 C ATOM 1214 C GLN A 73 -6.227 -8.125 -2.536 1.00 0.00 C ATOM 1215 O GLN A 73 -6.666 -9.127 -1.966 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.430 -6.582 -1.707 1.00 0.00 C ATOM 1217 CG GLN A 73 -2.947 -6.359 -1.450 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.295 -7.516 -0.710 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.266 -7.549 0.518 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -1.754 -8.470 -1.455 1.00 0.00 N ATOM 0 H GLN A 73 -3.896 -6.723 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.197 -8.668 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.838 -5.705 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.945 -6.670 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.437 -6.209 -2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.817 -5.445 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.797 -8.409 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.294 -9.265 -1.011 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.014 -7.266 -3.183 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.454 -7.480 -3.248 1.00 0.00 C ATOM 1231 C ARG A 74 -8.805 -8.637 -4.187 1.00 0.00 C ATOM 1232 O ARG A 74 -9.920 -9.150 -4.142 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.212 -6.188 -3.618 1.00 0.00 C ATOM 1234 CG ARG A 74 -8.860 -5.561 -4.963 1.00 0.00 C ATOM 1235 CD ARG A 74 -9.617 -6.204 -6.117 1.00 0.00 C ATOM 1236 NE ARG A 74 -9.789 -5.280 -7.239 1.00 0.00 N ATOM 1237 CZ ARG A 74 -9.455 -5.552 -8.499 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -8.881 -6.707 -8.803 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -9.702 -4.670 -9.457 1.00 0.00 N ATOM 0 H ARG A 74 -6.683 -6.429 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.785 -7.762 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.280 -6.404 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.030 -5.449 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.084 -4.495 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.788 -5.657 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.079 -7.090 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.594 -6.538 -5.769 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.193 -4.364 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.693 -7.392 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.627 -6.911 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.148 -3.782 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.446 -4.880 -10.422 1.00 0.00 H new ATOM 1253 N MET A 75 -7.855 -9.052 -5.030 1.00 0.00 N ATOM 1254 CA MET A 75 -8.060 -10.220 -5.889 1.00 0.00 C ATOM 1255 C MET A 75 -8.249 -11.465 -5.043 1.00 0.00 C ATOM 1256 O MET A 75 -9.205 -12.212 -5.232 1.00 0.00 O ATOM 1257 CB MET A 75 -6.885 -10.432 -6.848 1.00 0.00 C ATOM 1258 CG MET A 75 -6.936 -9.562 -8.089 1.00 0.00 C ATOM 1259 SD MET A 75 -8.430 -9.829 -9.068 1.00 0.00 S ATOM 1260 CE MET A 75 -8.289 -11.576 -9.452 1.00 0.00 C ATOM 0 H MET A 75 -6.946 -8.602 -5.135 1.00 0.00 H new ATOM 0 HA MET A 75 -8.956 -10.035 -6.482 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.955 -10.233 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.861 -11.479 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.882 -8.514 -7.795 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.061 -9.765 -8.706 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.939 -11.817 -10.293 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.257 -11.809 -9.713 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.585 -12.164 -8.584 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.343 -11.671 -4.094 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.413 -12.835 -3.218 1.00 0.00 C ATOM 1272 C LYS A 76 -8.614 -12.737 -2.289 1.00 0.00 C ATOM 1273 O LYS A 76 -9.270 -13.737 -2.002 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.130 -12.990 -2.390 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.892 -13.304 -3.216 1.00 0.00 C ATOM 1276 CD LYS A 76 -5.115 -14.497 -4.132 1.00 0.00 C ATOM 1277 CE LYS A 76 -3.801 -15.048 -4.660 1.00 0.00 C ATOM 1278 NZ LYS A 76 -3.036 -15.754 -3.597 1.00 0.00 N ATOM 0 H LYS A 76 -6.554 -11.050 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.522 -13.714 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.957 -12.070 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.276 -13.784 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.622 -12.433 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.053 -13.508 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.647 -15.279 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.749 -14.201 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.998 -15.734 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.199 -14.233 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.296 -16.341 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.596 -15.056 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.680 -16.360 -3.050 1.00 0.00 H new ATOM 1292 N SER A 77 -8.911 -11.521 -1.849 1.00 0.00 N ATOM 1293 CA SER A 77 -10.005 -11.284 -0.913 1.00 0.00 C ATOM 1294 C SER A 77 -11.364 -11.530 -1.573 1.00 0.00 C ATOM 1295 O SER A 77 -12.347 -11.840 -0.898 1.00 0.00 O ATOM 1296 CB SER A 77 -9.926 -9.852 -0.381 1.00 0.00 C ATOM 1297 OG SER A 77 -8.651 -9.591 0.188 1.00 0.00 O ATOM 0 H SER A 77 -8.407 -10.679 -2.127 1.00 0.00 H new ATOM 0 HA SER A 77 -9.906 -11.985 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.118 -9.148 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.702 -9.695 0.368 1.00 0.00 H new ATOM 0 HG SER A 77 -8.002 -9.424 -0.527 1.00 0.00 H new ATOM 1303 N LYS A 78 -11.418 -11.386 -2.891 1.00 0.00 N ATOM 1304 CA LYS A 78 -12.655 -11.590 -3.626 1.00 0.00 C ATOM 1305 C LYS A 78 -12.729 -13.012 -4.176 1.00 0.00 C ATOM 1306 O LYS A 78 -13.786 -13.649 -4.141 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.777 -10.557 -4.761 1.00 0.00 C ATOM 1308 CG LYS A 78 -14.136 -10.551 -5.449 1.00 0.00 C ATOM 1309 CD LYS A 78 -14.259 -11.650 -6.496 1.00 0.00 C ATOM 1310 CE LYS A 78 -15.705 -12.075 -6.697 1.00 0.00 C ATOM 1311 NZ LYS A 78 -16.286 -12.662 -5.456 1.00 0.00 N ATOM 0 H LYS A 78 -10.619 -11.129 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.492 -11.451 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.581 -9.564 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.005 -10.757 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.920 -10.675 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.297 -9.582 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.848 -11.299 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.665 -12.512 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.298 -11.213 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.761 -12.804 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.959 -13.413 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.524 -13.062 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.781 -11.921 -4.920 1.00 0.00 H new ATOM 1325 N ARG A 79 -11.608 -13.502 -4.691 1.00 0.00 N ATOM 1326 CA ARG A 79 -11.568 -14.818 -5.312 1.00 0.00 C ATOM 1327 C ARG A 79 -11.797 -15.904 -4.263 1.00 0.00 C ATOM 1328 O ARG A 79 -12.488 -16.889 -4.522 1.00 0.00 O ATOM 1329 CB ARG A 79 -10.230 -15.028 -6.031 1.00 0.00 C ATOM 1330 CG ARG A 79 -10.301 -15.985 -7.218 1.00 0.00 C ATOM 1331 CD ARG A 79 -10.545 -17.422 -6.786 1.00 0.00 C ATOM 1332 NE ARG A 79 -10.693 -18.324 -7.927 1.00 0.00 N ATOM 1333 CZ ARG A 79 -10.537 -19.646 -7.855 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -10.238 -20.217 -6.695 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -10.689 -20.400 -8.937 1.00 0.00 N ATOM 0 H ARG A 79 -10.716 -13.008 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.366 -14.882 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.862 -14.063 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.501 -15.408 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.099 -15.669 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.370 -15.931 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.715 -17.759 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.443 -17.467 -6.170 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.930 -17.918 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.128 -19.644 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.119 -21.229 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.927 -19.968 -9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.568 -21.411 -8.875 1.00 0.00 H new ATOM 1349 N TRP A 80 -11.219 -15.729 -3.084 1.00 0.00 N ATOM 1350 CA TRP A 80 -11.446 -16.672 -2.006 1.00 0.00 C ATOM 1351 C TRP A 80 -12.689 -16.255 -1.235 1.00 0.00 C ATOM 1352 O TRP A 80 -12.641 -15.382 -0.368 1.00 0.00 O ATOM 1353 CB TRP A 80 -10.234 -16.748 -1.078 1.00 0.00 C ATOM 1354 CG TRP A 80 -10.298 -17.897 -0.118 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -10.353 -19.220 -0.441 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -10.304 -17.831 1.315 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -10.407 -19.983 0.697 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -10.373 -19.155 1.789 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -10.262 -16.783 2.243 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -10.399 -19.461 3.148 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -10.285 -17.089 3.593 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -10.354 -18.418 4.033 1.00 0.00 C ATOM 0 H TRP A 80 -10.598 -14.953 -2.854 1.00 0.00 H new ATOM 0 HA TRP A 80 -11.596 -17.666 -2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -9.329 -16.835 -1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.155 -15.817 -0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -10.354 -19.611 -1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.463 -21.001 0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.213 -15.756 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.453 -20.484 3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -10.249 -16.290 4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.372 -18.623 5.093 1.00 0.00 H new ATOM 1373 N GLN A 81 -13.808 -16.864 -1.585 1.00 0.00 N ATOM 1374 CA GLN A 81 -15.088 -16.511 -1.005 1.00 0.00 C ATOM 1375 C GLN A 81 -15.667 -17.700 -0.251 1.00 0.00 C ATOM 1376 O GLN A 81 -16.386 -18.520 -0.829 1.00 0.00 O ATOM 1377 CB GLN A 81 -16.037 -16.041 -2.115 1.00 0.00 C ATOM 1378 CG GLN A 81 -17.430 -15.664 -1.642 1.00 0.00 C ATOM 1379 CD GLN A 81 -18.292 -15.128 -2.771 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -17.794 -14.496 -3.703 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -19.588 -15.386 -2.703 1.00 0.00 N ATOM 0 H GLN A 81 -13.854 -17.613 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.957 -15.697 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.592 -15.180 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -16.123 -16.832 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.912 -16.537 -1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.354 -14.912 -0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.962 -15.913 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.213 -15.058 -3.440 1.00 0.00 H new ATOM 1390 N LYS A 82 -15.309 -17.799 1.034 1.00 0.00 N ATOM 1391 CA LYS A 82 -15.741 -18.897 1.900 1.00 0.00 C ATOM 1392 C LYS A 82 -15.128 -20.231 1.473 1.00 0.00 C ATOM 1393 O LYS A 82 -15.019 -20.538 0.284 1.00 0.00 O ATOM 1394 CB LYS A 82 -17.269 -18.987 1.943 1.00 0.00 C ATOM 1395 CG LYS A 82 -17.891 -18.171 3.067 1.00 0.00 C ATOM 1396 CD LYS A 82 -19.307 -17.735 2.738 1.00 0.00 C ATOM 1397 CE LYS A 82 -19.311 -16.477 1.885 1.00 0.00 C ATOM 1398 NZ LYS A 82 -20.685 -16.086 1.481 1.00 0.00 N ATOM 0 H LYS A 82 -14.711 -17.118 1.502 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.381 -18.681 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -17.673 -18.646 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.561 -20.031 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.897 -18.762 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.276 -17.292 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -19.824 -18.537 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -19.858 -17.554 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.850 -15.660 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.703 -16.640 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -20.644 -15.224 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -21.117 -16.855 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -21.258 -15.905 2.330 1.00 0.00 H new ATOM 1412 N ASN A 83 -14.725 -21.022 2.458 1.00 0.00 N ATOM 1413 CA ASN A 83 -14.107 -22.315 2.193 1.00 0.00 C ATOM 1414 C ASN A 83 -15.146 -23.290 1.654 1.00 0.00 C ATOM 1415 O ASN A 83 -16.340 -23.117 1.897 1.00 0.00 O ATOM 1416 CB ASN A 83 -13.459 -22.880 3.463 1.00 0.00 C ATOM 1417 CG ASN A 83 -12.596 -24.098 3.182 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -12.031 -24.235 2.094 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -12.491 -24.991 4.154 1.00 0.00 N ATOM 0 H ASN A 83 -14.815 -20.792 3.448 1.00 0.00 H new ATOM 0 HA ASN A 83 -13.327 -22.177 1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.850 -22.107 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.238 -23.147 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.927 -25.830 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.974 -24.840 5.039 1.00 0.00 H new ATOM 1426 N ASN A 84 -14.677 -24.300 0.926 1.00 0.00 N ATOM 1427 CA ASN A 84 -15.546 -25.283 0.274 1.00 0.00 C ATOM 1428 C ASN A 84 -16.388 -24.599 -0.797 1.00 0.00 C ATOM 1429 O ASN A 84 -15.889 -24.448 -1.933 1.00 0.00 O ATOM 1430 CB ASN A 84 -16.448 -26.003 1.292 1.00 0.00 C ATOM 1431 CG ASN A 84 -17.090 -27.267 0.732 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -17.330 -27.389 -0.471 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -17.366 -28.225 1.604 1.00 0.00 N ATOM 1434 OXT ASN A 84 -17.527 -24.193 -0.504 1.00 0.00 O ATOM 0 H ASN A 84 -13.682 -24.463 0.770 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.914 -26.038 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.859 -26.261 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.231 -25.320 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.790 -29.097 1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.154 -28.091 2.593 1.00 0.00 H new TER 1441 ASN A 84