USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=33 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 83 THR OG1 : rot 89:sc= 0.0078 USER MOD Set 1.2: A 114 TYR OH : rot 80:sc= -1.35 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= -1.02 USER MOD Set 2.2: A 67 MET CE :methyl -161:sc= -1.11 (180deg=-0.492) USER MOD Set 3.1: A 56 HIS : no HD1:sc= -0.579 K(o=-2.9,f=-3.5) USER MOD Set 3.2: A 93 GLN : amide:sc= -2.35 K(o=-2.9,f=-11!) USER MOD Set 4.1: A 23 LYS NZ :NH3+ 153:sc= 1.52 (180deg=0.912) USER MOD Set 4.2: A 24 TYR OH : rot 180:sc= 0.156 USER MOD Single : A 6 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.2!) USER MOD Single : A 9 SER OG : rot 173:sc= -3.73! USER MOD Single : A 10 ASN : amide:sc= -5.32! C(o=-5.3!,f=-13!) USER MOD Single : A 15 ASN : amide:sc= -6.16! C(o=-6.2!,f=-9.1!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.188 F(o=-1.2,f=-0.19) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.7! C(o=-3.7!,f=-4.8!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -1.15 F(o=-2.7!,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.188 F(o=-0.69,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.129 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.159 (180deg=-1.39!) USER MOD Single : A 49 THR OG1 : rot 78:sc= 0.088 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.055 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.216 K(o=-0.22,f=-3!) USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 81 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 82 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3!) USER MOD Single : A 84 TYR OH : rot -101:sc= 0.639 USER MOD Single : A 85 HIS : no HE2:sc= -27.3! C(o=-27!,f=-30!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -3.01! C(o=-4.2!,f=-3!) USER MOD Single : A 89 SER OG : rot -52:sc= 0.159 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -18.9! C(o=-19!,f=-27!) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.0473 F(o=-1.7,f=0.047) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 116 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.5!) USER MOD Single : A 120 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.991) USER MOD Single : A 124 GLN : amide:sc= -21.9! C(o=-22!,f=-25!) USER MOD Single : A 127 MET CE :methyl -120:sc= 0 (180deg=-0.0276) USER MOD Single : A 129 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.73) USER MOD Single : A 135 LYS NZ :NH3+ -153:sc= -0.0454 (180deg=-0.3) USER MOD Single : A 136 FUC O2 : rot 132:sc= 1.02 USER MOD Single : A 136 FUC O3 : rot -82:sc= 0.0175 USER MOD Single : A 136 FUC O4 : rot -91:sc= 0.0256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 6.997 31.770 2.127 1.00 1.00 N ATOM 2 CA GLN A 6 8.394 32.239 1.901 1.00 1.00 C ATOM 3 C GLN A 6 8.938 31.620 0.612 1.00 1.00 C ATOM 4 O GLN A 6 8.988 30.415 0.463 1.00 1.00 O ATOM 5 CB GLN A 6 9.271 31.813 3.080 1.00 1.00 C ATOM 6 CG GLN A 6 10.358 32.865 3.313 1.00 1.00 C ATOM 7 CD GLN A 6 10.236 33.420 4.734 1.00 1.00 C ATOM 8 OE1 GLN A 6 9.186 33.344 5.340 1.00 1.00 O ATOM 9 NE2 GLN A 6 11.274 33.979 5.293 1.00 1.00 N ATOM 0 HA GLN A 6 8.403 33.326 1.814 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.662 31.698 3.977 1.00 1.00 H new ATOM 0 HB3 GLN A 6 9.726 30.843 2.877 1.00 1.00 H new ATOM 0 HG2 GLN A 6 11.344 32.423 3.167 1.00 1.00 H new ATOM 0 HG3 GLN A 6 10.260 33.672 2.587 1.00 1.00 H new ATOM 0 HE21 GLN A 6 12.155 34.042 4.783 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.204 34.353 6.240 1.00 1.00 H new ATOM 10 N VAL A 7 9.339 32.435 -0.325 1.00 1.00 N ATOM 11 CA VAL A 7 9.873 31.894 -1.605 1.00 1.00 C ATOM 12 C VAL A 7 11.417 31.768 -1.596 1.00 1.00 C ATOM 13 O VAL A 7 11.937 30.898 -2.266 1.00 1.00 O ATOM 14 CB VAL A 7 9.432 32.791 -2.768 1.00 1.00 C ATOM 15 CG1 VAL A 7 7.947 33.124 -2.617 1.00 1.00 C ATOM 16 CG2 VAL A 7 10.241 34.091 -2.774 1.00 1.00 C ATOM 0 H VAL A 7 9.320 33.453 -0.259 1.00 1.00 H new ATOM 0 HA VAL A 7 9.467 30.890 -1.729 1.00 1.00 H new ATOM 0 HB VAL A 7 9.602 32.262 -3.705 1.00 1.00 H new ATOM 0 HG11 VAL A 7 7.631 33.762 -3.443 1.00 1.00 H new ATOM 0 HG12 VAL A 7 7.365 32.203 -2.627 1.00 1.00 H new ATOM 0 HG13 VAL A 7 7.785 33.645 -1.674 1.00 1.00 H new ATOM 0 HG21 VAL A 7 9.917 34.717 -3.605 1.00 1.00 H new ATOM 0 HG22 VAL A 7 10.083 34.622 -1.836 1.00 1.00 H new ATOM 0 HG23 VAL A 7 11.300 33.860 -2.886 1.00 1.00 H new ATOM 17 N PRO A 8 12.130 32.617 -0.868 1.00 1.00 N ATOM 18 CA PRO A 8 13.583 32.532 -0.850 1.00 1.00 C ATOM 19 C PRO A 8 14.038 31.378 0.048 1.00 1.00 C ATOM 20 O PRO A 8 15.217 31.166 0.252 1.00 1.00 O ATOM 21 CB PRO A 8 14.043 33.868 -0.283 1.00 1.00 C ATOM 22 CG PRO A 8 12.840 34.333 0.594 1.00 1.00 C ATOM 23 CD PRO A 8 11.565 33.695 -0.034 1.00 1.00 C ATOM 0 HA PRO A 8 14.000 32.341 -1.839 1.00 1.00 H new ATOM 0 HB2 PRO A 8 14.952 33.760 0.309 1.00 1.00 H new ATOM 0 HB3 PRO A 8 14.262 34.585 -1.075 1.00 1.00 H new ATOM 0 HG2 PRO A 8 12.966 34.012 1.628 1.00 1.00 H new ATOM 0 HG3 PRO A 8 12.765 35.420 0.605 1.00 1.00 H new ATOM 0 HD2 PRO A 8 10.887 33.308 0.727 1.00 1.00 H new ATOM 0 HD3 PRO A 8 11.000 34.414 -0.627 1.00 1.00 H new ATOM 24 N SER A 9 13.113 30.631 0.586 1.00 1.00 N ATOM 25 CA SER A 9 13.494 29.493 1.469 1.00 1.00 C ATOM 26 C SER A 9 12.782 28.223 0.999 1.00 1.00 C ATOM 27 O SER A 9 12.189 27.506 1.782 1.00 1.00 O ATOM 28 CB SER A 9 13.083 29.804 2.908 1.00 1.00 C ATOM 29 OG SER A 9 11.780 30.372 2.911 1.00 1.00 O ATOM 0 H SER A 9 12.110 30.760 0.452 1.00 1.00 H new ATOM 0 HA SER A 9 14.573 29.344 1.424 1.00 1.00 H new ATOM 0 HB2 SER A 9 13.097 28.894 3.507 1.00 1.00 H new ATOM 0 HB3 SER A 9 13.795 30.495 3.361 1.00 1.00 H new ATOM 0 HG SER A 9 11.467 30.468 3.835 1.00 1.00 H new ATOM 30 N ASN A 10 12.834 27.937 -0.273 1.00 1.00 N ATOM 31 CA ASN A 10 12.159 26.713 -0.789 1.00 1.00 C ATOM 32 C ASN A 10 13.197 25.791 -1.432 1.00 1.00 C ATOM 33 O ASN A 10 13.103 25.449 -2.594 1.00 1.00 O ATOM 34 CB ASN A 10 11.113 27.110 -1.833 1.00 1.00 C ATOM 35 CG ASN A 10 10.194 28.185 -1.250 1.00 1.00 C ATOM 36 OD1 ASN A 10 10.511 28.794 -0.248 1.00 1.00 O ATOM 37 ND2 ASN A 10 9.059 28.446 -1.840 1.00 1.00 N ATOM 0 H ASN A 10 13.314 28.498 -0.977 1.00 1.00 H new ATOM 0 HA ASN A 10 11.671 26.192 0.035 1.00 1.00 H new ATOM 0 HB2 ASN A 10 11.604 27.484 -2.731 1.00 1.00 H new ATOM 0 HB3 ASN A 10 10.529 26.238 -2.128 1.00 1.00 H new ATOM 0 HD21 ASN A 10 8.439 29.161 -1.460 1.00 1.00 H new ATOM 0 HD22 ASN A 10 8.792 27.935 -2.681 1.00 1.00 H new ATOM 38 N CYS A 11 14.187 25.386 -0.684 1.00 1.00 N ATOM 39 CA CYS A 11 15.229 24.486 -1.252 1.00 1.00 C ATOM 40 C CYS A 11 14.705 23.049 -1.272 1.00 1.00 C ATOM 41 O CYS A 11 13.606 22.773 -0.835 1.00 1.00 O ATOM 42 CB CYS A 11 16.490 24.559 -0.388 1.00 1.00 C ATOM 43 SG CYS A 11 16.823 26.283 0.048 1.00 1.00 S ATOM 0 H CYS A 11 14.319 25.640 0.295 1.00 1.00 H new ATOM 0 HA CYS A 11 15.467 24.799 -2.269 1.00 1.00 H new ATOM 0 HB2 CYS A 11 16.360 23.963 0.515 1.00 1.00 H new ATOM 0 HB3 CYS A 11 17.339 24.139 -0.928 1.00 1.00 H new ATOM 44 N ASP A 12 15.483 22.130 -1.776 1.00 1.00 N ATOM 45 CA ASP A 12 15.028 20.712 -1.823 1.00 1.00 C ATOM 46 C ASP A 12 16.100 19.812 -1.206 1.00 1.00 C ATOM 47 O ASP A 12 16.377 18.735 -1.695 1.00 1.00 O ATOM 48 CB ASP A 12 14.793 20.301 -3.278 1.00 1.00 C ATOM 49 CG ASP A 12 13.410 19.660 -3.411 1.00 1.00 C ATOM 50 OD1 ASP A 12 12.442 20.398 -3.494 1.00 1.00 O ATOM 51 OD2 ASP A 12 13.343 18.442 -3.428 1.00 1.00 O ATOM 0 H ASP A 12 16.414 22.300 -2.157 1.00 1.00 H new ATOM 0 HA ASP A 12 14.100 20.609 -1.261 1.00 1.00 H new ATOM 0 HB2 ASP A 12 14.866 21.172 -3.929 1.00 1.00 H new ATOM 0 HB3 ASP A 12 15.563 19.599 -3.597 1.00 1.00 H new ATOM 52 N CYS A 13 16.707 20.245 -0.135 1.00 1.00 N ATOM 53 CA CYS A 13 17.761 19.413 0.510 1.00 1.00 C ATOM 54 C CYS A 13 17.947 19.862 1.964 1.00 1.00 C ATOM 55 O CYS A 13 17.927 21.039 2.264 1.00 1.00 O ATOM 56 CB CYS A 13 19.080 19.588 -0.247 1.00 1.00 C ATOM 57 SG CYS A 13 18.814 19.260 -2.007 1.00 1.00 S ATOM 0 H CYS A 13 16.519 21.138 0.321 1.00 1.00 H new ATOM 0 HA CYS A 13 17.462 18.365 0.487 1.00 1.00 H new ATOM 0 HB2 CYS A 13 19.460 20.600 -0.108 1.00 1.00 H new ATOM 0 HB3 CYS A 13 19.833 18.908 0.151 1.00 1.00 H new ATOM 58 N LEU A 14 18.131 18.938 2.871 1.00 1.00 N ATOM 59 CA LEU A 14 18.321 19.330 4.298 1.00 1.00 C ATOM 60 C LEU A 14 19.252 18.327 4.982 1.00 1.00 C ATOM 61 O LEU A 14 20.030 17.651 4.339 1.00 1.00 O ATOM 62 CB LEU A 14 16.962 19.355 5.012 1.00 1.00 C ATOM 63 CG LEU A 14 16.267 17.993 4.885 1.00 1.00 C ATOM 64 CD1 LEU A 14 16.909 16.978 5.833 1.00 1.00 C ATOM 65 CD2 LEU A 14 14.795 18.149 5.255 1.00 1.00 C ATOM 0 H LEU A 14 18.158 17.935 2.687 1.00 1.00 H new ATOM 0 HA LEU A 14 18.766 20.324 4.347 1.00 1.00 H new ATOM 0 HB2 LEU A 14 17.101 19.603 6.064 1.00 1.00 H new ATOM 0 HB3 LEU A 14 16.332 20.134 4.582 1.00 1.00 H new ATOM 0 HG LEU A 14 16.367 17.638 3.859 1.00 1.00 H new ATOM 0 HD11 LEU A 14 16.406 16.017 5.732 1.00 1.00 H new ATOM 0 HD12 LEU A 14 17.964 16.863 5.583 1.00 1.00 H new ATOM 0 HD13 LEU A 14 16.816 17.330 6.860 1.00 1.00 H new ATOM 0 HD21 LEU A 14 14.294 17.185 5.167 1.00 1.00 H new ATOM 0 HD22 LEU A 14 14.714 18.508 6.281 1.00 1.00 H new ATOM 0 HD23 LEU A 14 14.324 18.865 4.581 1.00 1.00 H new ATOM 66 N ASN A 15 19.181 18.224 6.281 1.00 1.00 N ATOM 67 CA ASN A 15 20.057 17.264 7.001 1.00 1.00 C ATOM 68 C ASN A 15 21.518 17.640 6.764 1.00 1.00 C ATOM 69 O ASN A 15 22.409 16.820 6.866 1.00 1.00 O ATOM 70 CB ASN A 15 19.801 15.848 6.479 1.00 1.00 C ATOM 71 CG ASN A 15 18.618 15.234 7.230 1.00 1.00 C ATOM 72 OD1 ASN A 15 17.987 15.891 8.034 1.00 1.00 O ATOM 73 ND2 ASN A 15 18.289 13.992 7.001 1.00 1.00 N ATOM 0 H ASN A 15 18.552 18.766 6.874 1.00 1.00 H new ATOM 0 HA ASN A 15 19.839 17.300 8.068 1.00 1.00 H new ATOM 0 HB2 ASN A 15 19.592 15.875 5.410 1.00 1.00 H new ATOM 0 HB3 ASN A 15 20.690 15.233 6.614 1.00 1.00 H new ATOM 0 HD21 ASN A 15 17.502 13.573 7.497 1.00 1.00 H new ATOM 0 HD22 ASN A 15 18.819 13.440 6.326 1.00 1.00 H new ATOM 74 N GLY A 16 21.765 18.877 6.442 1.00 1.00 N ATOM 75 CA GLY A 16 23.164 19.320 6.189 1.00 1.00 C ATOM 76 C GLY A 16 23.363 19.531 4.691 1.00 1.00 C ATOM 77 O GLY A 16 24.473 19.617 4.205 1.00 1.00 O ATOM 0 H GLY A 16 21.056 19.604 6.343 1.00 1.00 H new ATOM 0 HA2 GLY A 16 23.368 20.245 6.728 1.00 1.00 H new ATOM 0 HA3 GLY A 16 23.867 18.573 6.559 1.00 1.00 H new ATOM 78 N GLY A 17 22.291 19.621 3.959 1.00 1.00 N ATOM 79 CA GLY A 17 22.404 19.832 2.488 1.00 1.00 C ATOM 80 C GLY A 17 22.670 21.312 2.207 1.00 1.00 C ATOM 81 O GLY A 17 22.116 22.184 2.848 1.00 1.00 O ATOM 0 H GLY A 17 21.337 19.558 4.315 1.00 1.00 H new ATOM 0 HA2 GLY A 17 23.212 19.222 2.083 1.00 1.00 H new ATOM 0 HA3 GLY A 17 21.486 19.515 1.992 1.00 1.00 H new ATOM 82 N THR A 18 23.513 21.605 1.256 1.00 1.00 N ATOM 83 CA THR A 18 23.812 23.030 0.939 1.00 1.00 C ATOM 84 C THR A 18 22.757 23.570 -0.027 1.00 1.00 C ATOM 85 O THR A 18 22.767 23.271 -1.204 1.00 1.00 O ATOM 86 CB THR A 18 25.192 23.129 0.294 1.00 1.00 C ATOM 87 OG1 THR A 18 26.182 22.661 1.187 1.00 1.00 O ATOM 88 CG2 THR A 18 25.448 24.593 -0.060 1.00 1.00 C ATOM 0 H THR A 18 24.008 20.920 0.685 1.00 1.00 H new ATOM 0 HA THR A 18 23.797 23.617 1.857 1.00 1.00 H new ATOM 0 HB THR A 18 25.231 22.514 -0.605 1.00 1.00 H new ATOM 0 HG21 THR A 18 26.430 24.689 -0.523 1.00 1.00 H new ATOM 0 HG22 THR A 18 24.683 24.938 -0.756 1.00 1.00 H new ATOM 0 HG23 THR A 18 25.414 25.198 0.846 1.00 1.00 H new ATOM 89 N CYS A 19 21.845 24.366 0.461 1.00 1.00 N ATOM 90 CA CYS A 19 20.791 24.925 -0.431 1.00 1.00 C ATOM 91 C CYS A 19 21.433 25.875 -1.444 1.00 1.00 C ATOM 92 O CYS A 19 22.268 26.688 -1.104 1.00 1.00 O ATOM 93 CB CYS A 19 19.766 25.691 0.408 1.00 1.00 C ATOM 94 SG CYS A 19 18.673 26.631 -0.685 1.00 1.00 S ATOM 0 H CYS A 19 21.785 24.653 1.438 1.00 1.00 H new ATOM 0 HA CYS A 19 20.293 24.112 -0.959 1.00 1.00 H new ATOM 0 HB2 CYS A 19 19.183 24.996 1.013 1.00 1.00 H new ATOM 0 HB3 CYS A 19 20.275 26.364 1.098 1.00 1.00 H new ATOM 95 N VAL A 20 21.050 25.778 -2.688 1.00 1.00 N ATOM 96 CA VAL A 20 21.640 26.675 -3.721 1.00 1.00 C ATOM 97 C VAL A 20 20.563 27.064 -4.735 1.00 1.00 C ATOM 98 O VAL A 20 19.450 26.580 -4.688 1.00 1.00 O ATOM 99 CB VAL A 20 22.777 25.946 -4.439 1.00 1.00 C ATOM 100 CG1 VAL A 20 23.728 25.339 -3.407 1.00 1.00 C ATOM 101 CG2 VAL A 20 22.195 24.832 -5.312 1.00 1.00 C ATOM 0 H VAL A 20 20.354 25.117 -3.033 1.00 1.00 H new ATOM 0 HA VAL A 20 22.029 27.574 -3.242 1.00 1.00 H new ATOM 0 HB VAL A 20 23.323 26.652 -5.064 1.00 1.00 H new ATOM 0 HG11 VAL A 20 24.538 24.820 -3.920 1.00 1.00 H new ATOM 0 HG12 VAL A 20 24.142 26.131 -2.784 1.00 1.00 H new ATOM 0 HG13 VAL A 20 23.183 24.633 -2.781 1.00 1.00 H new ATOM 0 HG21 VAL A 20 23.004 24.311 -5.825 1.00 1.00 H new ATOM 0 HG22 VAL A 20 21.649 24.127 -4.686 1.00 1.00 H new ATOM 0 HG23 VAL A 20 21.517 25.263 -6.049 1.00 1.00 H new ATOM 102 N SER A 21 20.886 27.934 -5.653 1.00 1.00 N ATOM 103 CA SER A 21 19.880 28.352 -6.670 1.00 1.00 C ATOM 104 C SER A 21 20.395 29.579 -7.425 1.00 1.00 C ATOM 105 O SER A 21 21.095 30.409 -6.879 1.00 1.00 O ATOM 106 CB SER A 21 18.564 28.698 -5.973 1.00 1.00 C ATOM 107 OG SER A 21 18.836 29.475 -4.815 1.00 1.00 O ATOM 0 H SER A 21 21.802 28.373 -5.743 1.00 1.00 H new ATOM 0 HA SER A 21 19.715 27.536 -7.374 1.00 1.00 H new ATOM 0 HB2 SER A 21 17.914 29.251 -6.651 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.035 27.786 -5.697 1.00 1.00 H new ATOM 0 HG SER A 21 17.994 29.700 -4.367 1.00 1.00 H new ATOM 108 N ASN A 22 20.053 29.701 -8.678 1.00 1.00 N ATOM 109 CA ASN A 22 20.518 30.870 -9.471 1.00 1.00 C ATOM 110 C ASN A 22 19.713 32.109 -9.066 1.00 1.00 C ATOM 111 O ASN A 22 18.912 32.068 -8.154 1.00 1.00 O ATOM 112 CB ASN A 22 20.302 30.578 -10.956 1.00 1.00 C ATOM 113 CG ASN A 22 21.562 30.937 -11.750 1.00 1.00 C ATOM 114 OD1 ASN A 22 22.374 31.855 -11.297 1.00 1.00 O flip ATOM 115 ND2 ASN A 22 21.812 30.373 -12.797 1.00 1.00 N flip ATOM 0 H ASN A 22 19.469 29.038 -9.187 1.00 1.00 H new ATOM 0 HA ASN A 22 21.576 31.052 -9.283 1.00 1.00 H new ATOM 0 HB2 ASN A 22 20.062 29.524 -11.097 1.00 1.00 H new ATOM 0 HB3 ASN A 22 19.452 31.151 -11.328 1.00 1.00 H new ATOM 0 HD21 ASN A 22 21.180 29.656 -13.153 1.00 1.00 H new ATOM 0 HD22 ASN A 22 22.654 30.617 -13.319 1.00 1.00 H new ATOM 116 N LYS A 23 19.923 33.213 -9.732 1.00 1.00 N ATOM 117 CA LYS A 23 19.172 34.451 -9.376 1.00 1.00 C ATOM 118 C LYS A 23 18.585 35.093 -10.639 1.00 1.00 C ATOM 119 O LYS A 23 17.802 36.019 -10.565 1.00 1.00 O ATOM 120 CB LYS A 23 20.125 35.441 -8.704 1.00 1.00 C ATOM 121 CG LYS A 23 19.348 36.305 -7.708 1.00 1.00 C ATOM 122 CD LYS A 23 18.910 37.603 -8.390 1.00 1.00 C ATOM 123 CE LYS A 23 19.910 38.714 -8.065 1.00 1.00 C ATOM 124 NZ LYS A 23 20.209 39.491 -9.301 1.00 1.00 N ATOM 0 H LYS A 23 20.581 33.311 -10.505 1.00 1.00 H new ATOM 0 HA LYS A 23 18.360 34.194 -8.696 1.00 1.00 H new ATOM 0 HB2 LYS A 23 20.922 34.903 -8.190 1.00 1.00 H new ATOM 0 HB3 LYS A 23 20.600 36.072 -9.456 1.00 1.00 H new ATOM 0 HG2 LYS A 23 18.476 35.762 -7.342 1.00 1.00 H new ATOM 0 HG3 LYS A 23 19.971 36.529 -6.842 1.00 1.00 H new ATOM 0 HD2 LYS A 23 18.850 37.457 -9.469 1.00 1.00 H new ATOM 0 HD3 LYS A 23 17.913 37.886 -8.051 1.00 1.00 H new ATOM 0 HE2 LYS A 23 19.502 39.373 -7.299 1.00 1.00 H new ATOM 0 HE3 LYS A 23 20.827 38.285 -7.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 20.486 40.460 -9.044 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 20.987 39.035 -9.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 19.363 39.522 -9.905 1.00 1.00 H new ATOM 125 N TYR A 24 18.955 34.615 -11.796 1.00 1.00 N ATOM 126 CA TYR A 24 18.416 35.209 -13.052 1.00 1.00 C ATOM 127 C TYR A 24 17.641 34.145 -13.831 1.00 1.00 C ATOM 128 O TYR A 24 17.841 33.962 -15.015 1.00 1.00 O ATOM 129 CB TYR A 24 19.573 35.720 -13.912 1.00 1.00 C ATOM 130 CG TYR A 24 20.354 36.759 -13.143 1.00 1.00 C ATOM 131 CD1 TYR A 24 21.272 36.361 -12.162 1.00 1.00 C ATOM 132 CD2 TYR A 24 20.161 38.120 -13.411 1.00 1.00 C ATOM 133 CE1 TYR A 24 21.998 37.324 -11.450 1.00 1.00 C ATOM 134 CE2 TYR A 24 20.887 39.084 -12.699 1.00 1.00 C ATOM 135 CZ TYR A 24 21.806 38.686 -11.718 1.00 1.00 C ATOM 136 OH TYR A 24 22.521 39.635 -11.017 1.00 1.00 O ATOM 0 H TYR A 24 19.606 33.840 -11.925 1.00 1.00 H new ATOM 0 HA TYR A 24 17.751 36.036 -12.803 1.00 1.00 H new ATOM 0 HB2 TYR A 24 20.225 34.893 -14.191 1.00 1.00 H new ATOM 0 HB3 TYR A 24 19.190 36.150 -14.838 1.00 1.00 H new ATOM 0 HD1 TYR A 24 21.420 35.311 -11.955 1.00 1.00 H new ATOM 0 HD2 TYR A 24 19.453 38.426 -14.166 1.00 1.00 H new ATOM 0 HE1 TYR A 24 22.706 37.017 -10.694 1.00 1.00 H new ATOM 0 HE2 TYR A 24 20.739 40.134 -12.906 1.00 1.00 H new ATOM 0 HH TYR A 24 22.268 40.530 -11.327 1.00 1.00 H new ATOM 137 N PHE A 25 16.762 33.438 -13.178 1.00 1.00 N ATOM 138 CA PHE A 25 15.983 32.385 -13.888 1.00 1.00 C ATOM 139 C PHE A 25 14.490 32.571 -13.632 1.00 1.00 C ATOM 140 O PHE A 25 13.661 31.854 -14.155 1.00 1.00 O ATOM 141 CB PHE A 25 16.423 31.014 -13.380 1.00 1.00 C ATOM 142 CG PHE A 25 15.973 29.941 -14.338 1.00 1.00 C ATOM 143 CD1 PHE A 25 16.784 29.583 -15.423 1.00 1.00 C ATOM 144 CD2 PHE A 25 14.748 29.293 -14.135 1.00 1.00 C ATOM 145 CE1 PHE A 25 16.369 28.577 -16.304 1.00 1.00 C ATOM 146 CE2 PHE A 25 14.332 28.289 -15.017 1.00 1.00 C ATOM 147 CZ PHE A 25 15.142 27.931 -16.101 1.00 1.00 C ATOM 0 H PHE A 25 16.549 33.543 -12.186 1.00 1.00 H new ATOM 0 HA PHE A 25 16.166 32.461 -14.960 1.00 1.00 H new ATOM 0 HB2 PHE A 25 17.508 30.987 -13.274 1.00 1.00 H new ATOM 0 HB3 PHE A 25 16.002 30.831 -12.392 1.00 1.00 H new ATOM 0 HD1 PHE A 25 17.729 30.083 -15.580 1.00 1.00 H new ATOM 0 HD2 PHE A 25 14.124 29.568 -13.297 1.00 1.00 H new ATOM 0 HE1 PHE A 25 16.994 28.299 -17.140 1.00 1.00 H new ATOM 0 HE2 PHE A 25 13.387 27.791 -14.861 1.00 1.00 H new ATOM 0 HZ PHE A 25 14.821 27.156 -16.782 1.00 1.00 H new ATOM 148 N SER A 26 14.148 33.530 -12.830 1.00 1.00 N ATOM 149 CA SER A 26 12.712 33.784 -12.523 1.00 1.00 C ATOM 150 C SER A 26 12.132 32.613 -11.722 1.00 1.00 C ATOM 151 O SER A 26 10.954 32.584 -11.427 1.00 1.00 O ATOM 152 CB SER A 26 11.933 33.939 -13.830 1.00 1.00 C ATOM 153 OG SER A 26 11.059 35.056 -13.725 1.00 1.00 O ATOM 0 H SER A 26 14.805 34.158 -12.367 1.00 1.00 H new ATOM 0 HA SER A 26 12.629 34.697 -11.933 1.00 1.00 H new ATOM 0 HB2 SER A 26 12.622 34.078 -14.663 1.00 1.00 H new ATOM 0 HB3 SER A 26 11.362 33.034 -14.036 1.00 1.00 H new ATOM 0 HG SER A 26 10.559 35.160 -14.561 1.00 1.00 H new ATOM 154 N ASN A 27 12.950 31.653 -11.364 1.00 1.00 N ATOM 155 CA ASN A 27 12.454 30.483 -10.581 1.00 1.00 C ATOM 156 C ASN A 27 13.406 29.304 -10.789 1.00 1.00 C ATOM 157 O ASN A 27 13.100 28.366 -11.498 1.00 1.00 O ATOM 158 CB ASN A 27 11.054 30.087 -11.057 1.00 1.00 C ATOM 159 CG ASN A 27 10.982 30.196 -12.581 1.00 1.00 C ATOM 160 OD1 ASN A 27 11.855 29.718 -13.278 1.00 1.00 O ATOM 161 ND2 ASN A 27 9.971 30.810 -13.131 1.00 1.00 N ATOM 0 H ASN A 27 13.946 31.632 -11.583 1.00 1.00 H new ATOM 0 HA ASN A 27 12.410 30.750 -9.525 1.00 1.00 H new ATOM 0 HB2 ASN A 27 10.827 29.068 -10.744 1.00 1.00 H new ATOM 0 HB3 ASN A 27 10.306 30.735 -10.600 1.00 1.00 H new ATOM 0 HD21 ASN A 27 9.913 30.889 -14.146 1.00 1.00 H new ATOM 0 HD22 ASN A 27 9.238 31.211 -12.546 1.00 1.00 H new ATOM 162 N ILE A 28 14.559 29.344 -10.183 1.00 1.00 N ATOM 163 CA ILE A 28 15.530 28.227 -10.355 1.00 1.00 C ATOM 164 C ILE A 28 16.087 27.820 -8.988 1.00 1.00 C ATOM 165 O ILE A 28 16.050 28.580 -8.041 1.00 1.00 O ATOM 166 CB ILE A 28 16.675 28.690 -11.257 1.00 1.00 C ATOM 167 CG1 ILE A 28 17.757 27.611 -11.305 1.00 1.00 C ATOM 168 CG2 ILE A 28 17.272 29.980 -10.694 1.00 1.00 C ATOM 169 CD1 ILE A 28 17.186 26.342 -11.940 1.00 1.00 C ATOM 0 H ILE A 28 14.872 30.102 -9.576 1.00 1.00 H new ATOM 0 HA ILE A 28 15.029 27.372 -10.810 1.00 1.00 H new ATOM 0 HB ILE A 28 16.295 28.869 -12.263 1.00 1.00 H new ATOM 0 HG12 ILE A 28 18.613 27.965 -11.880 1.00 1.00 H new ATOM 0 HG13 ILE A 28 18.116 27.397 -10.299 1.00 1.00 H new ATOM 0 HG21 ILE A 28 18.089 30.313 -11.335 1.00 1.00 H new ATOM 0 HG22 ILE A 28 16.503 30.751 -10.657 1.00 1.00 H new ATOM 0 HG23 ILE A 28 17.651 29.797 -9.689 1.00 1.00 H new ATOM 0 HD11 ILE A 28 17.958 25.573 -11.974 1.00 1.00 H new ATOM 0 HD12 ILE A 28 16.344 25.985 -11.346 1.00 1.00 H new ATOM 0 HD13 ILE A 28 16.848 26.562 -12.953 1.00 1.00 H new ATOM 170 N HIS A 29 16.603 26.625 -8.876 1.00 1.00 N ATOM 171 CA HIS A 29 17.160 26.174 -7.569 1.00 1.00 C ATOM 172 C HIS A 29 17.610 24.715 -7.681 1.00 1.00 C ATOM 173 O HIS A 29 17.003 23.920 -8.371 1.00 1.00 O ATOM 174 CB HIS A 29 16.086 26.293 -6.486 1.00 1.00 C ATOM 175 CG HIS A 29 14.735 26.005 -7.081 1.00 1.00 C ATOM 176 ND1 HIS A 29 14.343 25.198 -8.121 1.00 1.00 N flip ATOM 177 CD2 HIS A 29 13.574 26.590 -6.599 1.00 1.00 C flip ATOM 178 CE1 HIS A 29 12.964 25.279 -8.283 1.00 1.00 C flip ATOM 179 NE2 HIS A 29 12.550 26.130 -7.341 1.00 1.00 N flip ATOM 0 H HIS A 29 16.663 25.943 -9.632 1.00 1.00 H new ATOM 0 HA HIS A 29 18.013 26.799 -7.305 1.00 1.00 H new ATOM 0 HB2 HIS A 29 16.294 25.595 -5.675 1.00 1.00 H new ATOM 0 HB3 HIS A 29 16.099 27.294 -6.055 1.00 1.00 H new ATOM 0 HD1 HIS A 29 14.968 24.626 -8.689 1.00 1.00 H new ATOM 0 HD2 HIS A 29 13.504 27.288 -5.778 1.00 1.00 H new ATOM 0 HE1 HIS A 29 12.358 24.764 -9.014 1.00 1.00 H new ATOM 180 N TRP A 30 18.668 24.356 -7.005 1.00 1.00 N ATOM 181 CA TRP A 30 19.152 22.948 -7.073 1.00 1.00 C ATOM 182 C TRP A 30 19.977 22.626 -5.823 1.00 1.00 C ATOM 183 O TRP A 30 21.127 22.248 -5.909 1.00 1.00 O ATOM 184 CB TRP A 30 20.016 22.763 -8.326 1.00 1.00 C ATOM 185 CG TRP A 30 21.168 23.717 -8.301 1.00 1.00 C ATOM 186 CD1 TRP A 30 22.384 23.465 -7.762 1.00 1.00 C ATOM 187 CD2 TRP A 30 21.231 25.063 -8.839 1.00 1.00 C ATOM 188 NE1 TRP A 30 23.186 24.581 -7.930 1.00 1.00 N ATOM 189 CE2 TRP A 30 22.519 25.592 -8.591 1.00 1.00 C ATOM 190 CE3 TRP A 30 20.298 25.867 -9.511 1.00 1.00 C ATOM 191 CZ2 TRP A 30 22.869 26.881 -8.998 1.00 1.00 C ATOM 192 CZ3 TRP A 30 20.644 27.165 -9.924 1.00 1.00 C ATOM 193 CH2 TRP A 30 21.927 27.671 -9.667 1.00 1.00 C ATOM 0 H TRP A 30 19.217 24.976 -6.410 1.00 1.00 H new ATOM 0 HA TRP A 30 18.297 22.273 -7.122 1.00 1.00 H new ATOM 0 HB2 TRP A 30 20.384 21.738 -8.376 1.00 1.00 H new ATOM 0 HB3 TRP A 30 19.415 22.930 -9.220 1.00 1.00 H new ATOM 0 HD1 TRP A 30 22.680 22.545 -7.280 1.00 1.00 H new ATOM 0 HE1 TRP A 30 24.151 24.648 -7.605 1.00 1.00 H new ATOM 0 HE3 TRP A 30 19.308 25.486 -9.712 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 23.858 27.265 -8.798 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 19.919 27.776 -10.442 1.00 1.00 H new ATOM 0 HH2 TRP A 30 22.188 28.670 -9.985 1.00 1.00 H new ATOM 194 N CYS A 31 19.395 22.770 -4.662 1.00 1.00 N ATOM 195 CA CYS A 31 20.143 22.471 -3.405 1.00 1.00 C ATOM 196 C CYS A 31 20.982 21.205 -3.597 1.00 1.00 C ATOM 197 O CYS A 31 20.485 20.176 -4.010 1.00 1.00 O ATOM 198 CB CYS A 31 19.153 22.257 -2.259 1.00 1.00 C ATOM 199 SG CYS A 31 17.977 20.958 -2.712 1.00 1.00 S ATOM 0 H CYS A 31 18.433 23.082 -4.529 1.00 1.00 H new ATOM 0 HA CYS A 31 20.799 23.308 -3.167 1.00 1.00 H new ATOM 0 HB2 CYS A 31 19.687 21.978 -1.350 1.00 1.00 H new ATOM 0 HB3 CYS A 31 18.622 23.185 -2.045 1.00 1.00 H new ATOM 200 N ASN A 32 22.252 21.275 -3.308 1.00 1.00 N ATOM 201 CA ASN A 32 23.124 20.080 -3.484 1.00 1.00 C ATOM 202 C ASN A 32 23.242 19.322 -2.160 1.00 1.00 C ATOM 203 O ASN A 32 23.794 19.815 -1.197 1.00 1.00 O ATOM 204 CB ASN A 32 24.515 20.528 -3.936 1.00 1.00 C ATOM 205 CG ASN A 32 24.934 19.729 -5.172 1.00 1.00 C ATOM 206 OD1 ASN A 32 24.500 20.015 -6.270 1.00 1.00 O ATOM 207 ND2 ASN A 32 25.765 18.733 -5.038 1.00 1.00 N ATOM 0 H ASN A 32 22.724 22.109 -2.957 1.00 1.00 H new ATOM 0 HA ASN A 32 22.685 19.424 -4.236 1.00 1.00 H new ATOM 0 HB2 ASN A 32 24.509 21.594 -4.164 1.00 1.00 H new ATOM 0 HB3 ASN A 32 25.236 20.378 -3.132 1.00 1.00 H new ATOM 0 HD21 ASN A 32 26.051 18.194 -5.855 1.00 1.00 H new ATOM 0 HD22 ASN A 32 26.129 18.493 -4.116 1.00 1.00 H new ATOM 208 N CYS A 33 22.734 18.121 -2.109 1.00 1.00 N ATOM 209 CA CYS A 33 22.824 17.325 -0.854 1.00 1.00 C ATOM 210 C CYS A 33 23.897 16.245 -1.022 1.00 1.00 C ATOM 211 O CYS A 33 24.314 15.959 -2.127 1.00 1.00 O ATOM 212 CB CYS A 33 21.473 16.664 -0.569 1.00 1.00 C ATOM 213 SG CYS A 33 20.266 17.199 -1.807 1.00 1.00 S ATOM 0 H CYS A 33 22.260 17.657 -2.884 1.00 1.00 H new ATOM 0 HA CYS A 33 23.087 17.979 -0.022 1.00 1.00 H new ATOM 0 HB2 CYS A 33 21.575 15.579 -0.590 1.00 1.00 H new ATOM 0 HB3 CYS A 33 21.129 16.932 0.430 1.00 1.00 H new ATOM 214 N PRO A 34 24.315 15.677 0.080 1.00 1.00 N ATOM 215 CA PRO A 34 25.332 14.637 0.069 1.00 1.00 C ATOM 216 C PRO A 34 24.975 13.562 -0.961 1.00 1.00 C ATOM 217 O PRO A 34 23.820 13.245 -1.165 1.00 1.00 O ATOM 218 CB PRO A 34 25.306 14.064 1.482 1.00 1.00 C ATOM 219 CG PRO A 34 24.753 15.243 2.343 1.00 1.00 C ATOM 220 CD PRO A 34 23.796 16.037 1.408 1.00 1.00 C ATOM 0 HA PRO A 34 26.318 15.014 -0.202 1.00 1.00 H new ATOM 0 HB2 PRO A 34 24.665 13.185 1.547 1.00 1.00 H new ATOM 0 HB3 PRO A 34 26.300 13.759 1.810 1.00 1.00 H new ATOM 0 HG2 PRO A 34 24.224 14.872 3.221 1.00 1.00 H new ATOM 0 HG3 PRO A 34 25.563 15.877 2.704 1.00 1.00 H new ATOM 0 HD2 PRO A 34 22.756 15.738 1.536 1.00 1.00 H new ATOM 0 HD3 PRO A 34 23.843 17.111 1.589 1.00 1.00 H new ATOM 221 N LYS A 35 25.955 12.999 -1.612 1.00 1.00 N ATOM 222 CA LYS A 35 25.663 11.946 -2.625 1.00 1.00 C ATOM 223 C LYS A 35 24.926 10.789 -1.951 1.00 1.00 C ATOM 224 O LYS A 35 24.089 10.140 -2.547 1.00 1.00 O ATOM 225 CB LYS A 35 26.975 11.436 -3.226 1.00 1.00 C ATOM 226 CG LYS A 35 26.703 10.817 -4.598 1.00 1.00 C ATOM 227 CD LYS A 35 28.019 10.675 -5.366 1.00 1.00 C ATOM 228 CE LYS A 35 27.833 11.180 -6.798 1.00 1.00 C ATOM 229 NZ LYS A 35 27.356 10.063 -7.661 1.00 1.00 N ATOM 0 H LYS A 35 26.943 13.222 -1.487 1.00 1.00 H new ATOM 0 HA LYS A 35 25.042 12.363 -3.417 1.00 1.00 H new ATOM 0 HB2 LYS A 35 27.687 12.256 -3.320 1.00 1.00 H new ATOM 0 HB3 LYS A 35 27.427 10.696 -2.565 1.00 1.00 H new ATOM 0 HG2 LYS A 35 26.231 9.841 -4.481 1.00 1.00 H new ATOM 0 HG3 LYS A 35 26.008 11.442 -5.159 1.00 1.00 H new ATOM 0 HD2 LYS A 35 28.805 11.243 -4.869 1.00 1.00 H new ATOM 0 HD3 LYS A 35 28.336 9.632 -5.375 1.00 1.00 H new ATOM 0 HE2 LYS A 35 27.114 11.999 -6.815 1.00 1.00 H new ATOM 0 HE3 LYS A 35 28.774 11.573 -7.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 27.229 10.406 -8.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 28.057 9.295 -7.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 26.448 9.708 -7.299 1.00 1.00 H new ATOM 230 N LYS A 36 25.229 10.527 -0.709 1.00 1.00 N ATOM 231 CA LYS A 36 24.546 9.413 0.008 1.00 1.00 C ATOM 232 C LYS A 36 23.292 9.945 0.703 1.00 1.00 C ATOM 233 O LYS A 36 22.874 9.435 1.723 1.00 1.00 O ATOM 234 CB LYS A 36 25.494 8.824 1.052 1.00 1.00 C ATOM 235 CG LYS A 36 26.048 9.949 1.925 1.00 1.00 C ATOM 236 CD LYS A 36 25.655 9.706 3.383 1.00 1.00 C ATOM 237 CE LYS A 36 26.771 8.934 4.090 1.00 1.00 C ATOM 238 NZ LYS A 36 26.178 7.824 4.888 1.00 1.00 N ATOM 0 H LYS A 36 25.921 11.037 -0.159 1.00 1.00 H new ATOM 0 HA LYS A 36 24.264 8.640 -0.707 1.00 1.00 H new ATOM 0 HB2 LYS A 36 24.967 8.096 1.669 1.00 1.00 H new ATOM 0 HB3 LYS A 36 26.310 8.294 0.561 1.00 1.00 H new ATOM 0 HG2 LYS A 36 27.133 9.994 1.833 1.00 1.00 H new ATOM 0 HG3 LYS A 36 25.659 10.910 1.588 1.00 1.00 H new ATOM 0 HD2 LYS A 36 25.480 10.657 3.887 1.00 1.00 H new ATOM 0 HD3 LYS A 36 24.723 9.144 3.431 1.00 1.00 H new ATOM 0 HE2 LYS A 36 27.473 8.535 3.357 1.00 1.00 H new ATOM 0 HE3 LYS A 36 27.335 9.603 4.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 26.936 7.299 5.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 25.525 8.216 5.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 25.658 7.181 4.256 1.00 1.00 H new ATOM 239 N PHE A 37 22.688 10.968 0.162 1.00 1.00 N ATOM 240 CA PHE A 37 21.463 11.530 0.797 1.00 1.00 C ATOM 241 C PHE A 37 20.264 11.326 -0.131 1.00 1.00 C ATOM 242 O PHE A 37 20.410 10.964 -1.282 1.00 1.00 O ATOM 243 CB PHE A 37 21.657 13.027 1.050 1.00 1.00 C ATOM 244 CG PHE A 37 22.127 13.244 2.468 1.00 1.00 C ATOM 245 CD1 PHE A 37 23.037 12.350 3.049 1.00 1.00 C ATOM 246 CD2 PHE A 37 21.653 14.339 3.203 1.00 1.00 C ATOM 247 CE1 PHE A 37 23.473 12.552 4.366 1.00 1.00 C ATOM 248 CE2 PHE A 37 22.089 14.540 4.520 1.00 1.00 C ATOM 249 CZ PHE A 37 22.999 13.647 5.101 1.00 1.00 C ATOM 0 H PHE A 37 22.990 11.438 -0.691 1.00 1.00 H new ATOM 0 HA PHE A 37 21.283 11.020 1.743 1.00 1.00 H new ATOM 0 HB2 PHE A 37 22.386 13.433 0.348 1.00 1.00 H new ATOM 0 HB3 PHE A 37 20.721 13.559 0.881 1.00 1.00 H new ATOM 0 HD1 PHE A 37 23.402 11.506 2.482 1.00 1.00 H new ATOM 0 HD2 PHE A 37 20.952 15.028 2.755 1.00 1.00 H new ATOM 0 HE1 PHE A 37 24.174 11.864 4.814 1.00 1.00 H new ATOM 0 HE2 PHE A 37 21.723 15.383 5.087 1.00 1.00 H new ATOM 0 HZ PHE A 37 23.335 13.803 6.115 1.00 1.00 H new ATOM 250 N GLY A 38 19.079 11.557 0.362 1.00 1.00 N ATOM 251 CA GLY A 38 17.867 11.380 -0.486 1.00 1.00 C ATOM 252 C GLY A 38 16.619 11.649 0.354 1.00 1.00 C ATOM 253 O GLY A 38 16.703 11.940 1.530 1.00 1.00 O ATOM 0 H GLY A 38 18.897 11.862 1.318 1.00 1.00 H new ATOM 0 HA2 GLY A 38 17.901 12.062 -1.336 1.00 1.00 H new ATOM 0 HA3 GLY A 38 17.836 10.368 -0.890 1.00 1.00 H new ATOM 254 N GLY A 39 15.460 11.553 -0.236 1.00 1.00 N ATOM 255 CA GLY A 39 14.211 11.803 0.538 1.00 1.00 C ATOM 256 C GLY A 39 13.699 13.213 0.257 1.00 1.00 C ATOM 257 O GLY A 39 14.163 14.171 0.840 1.00 1.00 O ATOM 0 H GLY A 39 15.323 11.313 -1.218 1.00 1.00 H new ATOM 0 HA2 GLY A 39 13.451 11.070 0.266 1.00 1.00 H new ATOM 0 HA3 GLY A 39 14.403 11.682 1.604 1.00 1.00 H new ATOM 258 N GLN A 40 12.739 13.333 -0.627 1.00 1.00 N ATOM 259 CA GLN A 40 12.160 14.670 -0.964 1.00 1.00 C ATOM 260 C GLN A 40 13.246 15.746 -0.943 1.00 1.00 C ATOM 261 O GLN A 40 13.878 16.029 -1.942 1.00 1.00 O ATOM 262 CB GLN A 40 11.079 15.024 0.061 1.00 1.00 C ATOM 263 CG GLN A 40 9.746 14.409 -0.369 1.00 1.00 C ATOM 264 CD GLN A 40 8.610 15.039 0.439 1.00 1.00 C ATOM 265 OE1 GLN A 40 7.507 15.183 -0.051 1.00 1.00 O ATOM 266 NE2 GLN A 40 8.833 15.422 1.667 1.00 1.00 N ATOM 0 H GLN A 40 12.327 12.551 -1.136 1.00 1.00 H new ATOM 0 HA GLN A 40 11.729 14.625 -1.964 1.00 1.00 H new ATOM 0 HB2 GLN A 40 11.362 14.653 1.046 1.00 1.00 H new ATOM 0 HB3 GLN A 40 10.982 16.107 0.144 1.00 1.00 H new ATOM 0 HG2 GLN A 40 9.584 14.574 -1.434 1.00 1.00 H new ATOM 0 HG3 GLN A 40 9.763 13.330 -0.212 1.00 1.00 H new ATOM 0 HE21 GLN A 40 9.758 15.301 2.079 1.00 1.00 H new ATOM 0 HE22 GLN A 40 8.082 15.842 2.215 1.00 1.00 H new ATOM 267 N HIS A 41 13.468 16.343 0.194 1.00 1.00 N ATOM 268 CA HIS A 41 14.512 17.399 0.296 1.00 1.00 C ATOM 269 C HIS A 41 15.781 16.783 0.875 1.00 1.00 C ATOM 270 O HIS A 41 16.345 17.281 1.826 1.00 1.00 O ATOM 271 CB HIS A 41 14.022 18.517 1.218 1.00 1.00 C ATOM 272 CG HIS A 41 12.664 18.981 0.767 1.00 1.00 C ATOM 273 ND1 HIS A 41 11.959 18.766 -0.391 1.00 1.00 N flip ATOM 274 CD2 HIS A 41 11.857 19.782 1.559 1.00 1.00 C flip ATOM 275 CE1 HIS A 41 10.733 19.421 -0.321 1.00 1.00 C flip ATOM 276 NE2 HIS A 41 10.723 20.017 0.874 1.00 1.00 N flip ATOM 0 H HIS A 41 12.969 16.144 1.061 1.00 1.00 H new ATOM 0 HA HIS A 41 14.717 17.812 -0.692 1.00 1.00 H new ATOM 0 HB2 HIS A 41 13.973 18.159 2.246 1.00 1.00 H new ATOM 0 HB3 HIS A 41 14.726 19.349 1.204 1.00 1.00 H new ATOM 0 HD2 HIS A 41 12.095 20.150 2.546 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.957 19.443 -1.072 1.00 1.00 H new ATOM 0 HE2 HIS A 41 9.950 20.582 1.225 1.00 1.00 H new ATOM 277 N CYS A 42 16.228 15.696 0.313 1.00 1.00 N ATOM 278 CA CYS A 42 17.458 15.042 0.834 1.00 1.00 C ATOM 279 C CYS A 42 17.401 15.008 2.361 1.00 1.00 C ATOM 280 O CYS A 42 18.166 15.671 3.036 1.00 1.00 O ATOM 281 CB CYS A 42 18.692 15.828 0.385 1.00 1.00 C ATOM 282 SG CYS A 42 18.616 16.105 -1.402 1.00 1.00 S ATOM 0 H CYS A 42 15.794 15.232 -0.485 1.00 1.00 H new ATOM 0 HA CYS A 42 17.521 14.025 0.446 1.00 1.00 H new ATOM 0 HB2 CYS A 42 18.739 16.782 0.910 1.00 1.00 H new ATOM 0 HB3 CYS A 42 19.598 15.279 0.640 1.00 1.00 H new ATOM 283 N GLU A 43 16.496 14.244 2.908 1.00 1.00 N ATOM 284 CA GLU A 43 16.384 14.163 4.391 1.00 1.00 C ATOM 285 C GLU A 43 16.621 12.719 4.836 1.00 1.00 C ATOM 286 O GLU A 43 16.111 12.277 5.847 1.00 1.00 O ATOM 287 CB GLU A 43 14.984 14.606 4.822 1.00 1.00 C ATOM 288 CG GLU A 43 13.956 13.571 4.362 1.00 1.00 C ATOM 289 CD GLU A 43 13.194 13.033 5.575 1.00 1.00 C ATOM 290 OE1 GLU A 43 13.813 12.872 6.614 1.00 1.00 O ATOM 291 OE2 GLU A 43 12.006 12.792 5.444 1.00 1.00 O ATOM 0 H GLU A 43 15.829 13.672 2.391 1.00 1.00 H new ATOM 0 HA GLU A 43 17.127 14.815 4.850 1.00 1.00 H new ATOM 0 HB2 GLU A 43 14.944 14.717 5.906 1.00 1.00 H new ATOM 0 HB3 GLU A 43 14.751 15.581 4.393 1.00 1.00 H new ATOM 0 HG2 GLU A 43 13.261 14.023 3.654 1.00 1.00 H new ATOM 0 HG3 GLU A 43 14.455 12.754 3.841 1.00 1.00 H new ATOM 292 N ILE A 44 17.392 11.979 4.087 1.00 1.00 N ATOM 293 CA ILE A 44 17.664 10.563 4.461 1.00 1.00 C ATOM 294 C ILE A 44 19.120 10.222 4.138 1.00 1.00 C ATOM 295 O ILE A 44 19.677 10.695 3.167 1.00 1.00 O ATOM 296 CB ILE A 44 16.738 9.639 3.669 1.00 1.00 C ATOM 297 CG1 ILE A 44 15.362 10.294 3.527 1.00 1.00 C ATOM 298 CG2 ILE A 44 16.592 8.306 4.405 1.00 1.00 C ATOM 299 CD1 ILE A 44 14.481 9.440 2.613 1.00 1.00 C ATOM 0 H ILE A 44 17.846 12.295 3.230 1.00 1.00 H new ATOM 0 HA ILE A 44 17.486 10.429 5.528 1.00 1.00 H new ATOM 0 HB ILE A 44 17.162 9.464 2.680 1.00 1.00 H new ATOM 0 HG12 ILE A 44 14.895 10.398 4.506 1.00 1.00 H new ATOM 0 HG13 ILE A 44 15.466 11.298 3.115 1.00 1.00 H new ATOM 0 HG21 ILE A 44 15.932 7.649 3.839 1.00 1.00 H new ATOM 0 HG22 ILE A 44 17.571 7.837 4.507 1.00 1.00 H new ATOM 0 HG23 ILE A 44 16.169 8.481 5.394 1.00 1.00 H new ATOM 0 HD11 ILE A 44 13.501 9.907 2.512 1.00 1.00 H new ATOM 0 HD12 ILE A 44 14.947 9.359 1.631 1.00 1.00 H new ATOM 0 HD13 ILE A 44 14.366 8.445 3.044 1.00 1.00 H new ATOM 300 N ASP A 45 19.741 9.405 4.944 1.00 1.00 N ATOM 301 CA ASP A 45 21.160 9.035 4.682 1.00 1.00 C ATOM 302 C ASP A 45 21.208 7.726 3.891 1.00 1.00 C ATOM 303 O ASP A 45 21.356 6.657 4.450 1.00 1.00 O ATOM 304 CB ASP A 45 21.895 8.854 6.012 1.00 1.00 C ATOM 305 CG ASP A 45 21.701 10.101 6.877 1.00 1.00 C ATOM 306 OD1 ASP A 45 20.607 10.280 7.387 1.00 1.00 O ATOM 307 OD2 ASP A 45 22.649 10.856 7.014 1.00 1.00 O ATOM 0 H ASP A 45 19.327 8.978 5.773 1.00 1.00 H new ATOM 0 HA ASP A 45 21.641 9.826 4.106 1.00 1.00 H new ATOM 0 HB2 ASP A 45 21.515 7.975 6.533 1.00 1.00 H new ATOM 0 HB3 ASP A 45 22.957 8.685 5.833 1.00 1.00 H new ATOM 308 N LYS A 46 21.084 7.800 2.594 1.00 1.00 N ATOM 309 CA LYS A 46 21.123 6.560 1.770 1.00 1.00 C ATOM 310 C LYS A 46 22.389 5.767 2.102 1.00 1.00 C ATOM 311 O LYS A 46 23.221 6.202 2.873 1.00 1.00 O ATOM 312 CB LYS A 46 21.130 6.933 0.286 1.00 1.00 C ATOM 313 CG LYS A 46 19.694 6.956 -0.241 1.00 1.00 C ATOM 314 CD LYS A 46 19.709 6.889 -1.769 1.00 1.00 C ATOM 315 CE LYS A 46 18.991 8.112 -2.341 1.00 1.00 C ATOM 316 NZ LYS A 46 18.727 7.901 -3.792 1.00 1.00 N ATOM 0 H LYS A 46 20.957 8.666 2.070 1.00 1.00 H new ATOM 0 HA LYS A 46 20.245 5.952 1.988 1.00 1.00 H new ATOM 0 HB2 LYS A 46 21.595 7.909 0.148 1.00 1.00 H new ATOM 0 HB3 LYS A 46 21.724 6.214 -0.278 1.00 1.00 H new ATOM 0 HG2 LYS A 46 19.133 6.114 0.165 1.00 1.00 H new ATOM 0 HG3 LYS A 46 19.189 7.864 0.089 1.00 1.00 H new ATOM 0 HD2 LYS A 46 20.736 6.855 -2.132 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.220 5.976 -2.108 1.00 1.00 H new ATOM 0 HE2 LYS A 46 18.053 8.277 -1.810 1.00 1.00 H new ATOM 0 HE3 LYS A 46 19.600 9.004 -2.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 18.239 8.733 -4.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 19.628 7.763 -4.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 18.129 7.059 -3.917 1.00 1.00 H new ATOM 317 N SER A 47 22.541 4.606 1.527 1.00 1.00 N ATOM 318 CA SER A 47 23.754 3.787 1.811 1.00 1.00 C ATOM 319 C SER A 47 23.755 2.549 0.913 1.00 1.00 C ATOM 320 O SER A 47 24.788 2.111 0.446 1.00 1.00 O ATOM 321 CB SER A 47 23.744 3.354 3.277 1.00 1.00 C ATOM 322 OG SER A 47 22.412 3.406 3.773 1.00 1.00 O ATOM 0 H SER A 47 21.879 4.189 0.873 1.00 1.00 H new ATOM 0 HA SER A 47 24.647 4.379 1.613 1.00 1.00 H new ATOM 0 HB2 SER A 47 24.141 2.343 3.372 1.00 1.00 H new ATOM 0 HB3 SER A 47 24.389 4.006 3.865 1.00 1.00 H new ATOM 0 HG SER A 47 22.402 3.127 4.713 1.00 1.00 H new ATOM 323 N LYS A 48 22.607 1.980 0.669 1.00 1.00 N ATOM 324 CA LYS A 48 22.545 0.770 -0.198 1.00 1.00 C ATOM 325 C LYS A 48 21.424 0.936 -1.227 1.00 1.00 C ATOM 326 O LYS A 48 20.302 1.257 -0.890 1.00 1.00 O ATOM 327 CB LYS A 48 22.265 -0.462 0.665 1.00 1.00 C ATOM 328 CG LYS A 48 22.834 -1.706 -0.020 1.00 1.00 C ATOM 329 CD LYS A 48 21.880 -2.162 -1.125 1.00 1.00 C ATOM 330 CE LYS A 48 21.568 -3.650 -0.950 1.00 1.00 C ATOM 331 NZ LYS A 48 22.840 -4.405 -0.768 1.00 1.00 N ATOM 0 H LYS A 48 21.709 2.300 1.032 1.00 1.00 H new ATOM 0 HA LYS A 48 23.497 0.644 -0.714 1.00 1.00 H new ATOM 0 HB2 LYS A 48 22.715 -0.339 1.650 1.00 1.00 H new ATOM 0 HB3 LYS A 48 21.192 -0.576 0.817 1.00 1.00 H new ATOM 0 HG2 LYS A 48 23.815 -1.486 -0.440 1.00 1.00 H new ATOM 0 HG3 LYS A 48 22.971 -2.505 0.709 1.00 1.00 H new ATOM 0 HD2 LYS A 48 20.959 -1.580 -1.088 1.00 1.00 H new ATOM 0 HD3 LYS A 48 22.329 -1.986 -2.103 1.00 1.00 H new ATOM 0 HE2 LYS A 48 20.918 -3.797 -0.087 1.00 1.00 H new ATOM 0 HE3 LYS A 48 21.031 -4.025 -1.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 22.757 -5.338 -1.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 23.622 -3.877 -1.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 23.029 -4.527 0.247 1.00 1.00 H new ATOM 332 N THR A 49 21.720 0.718 -2.479 1.00 1.00 N ATOM 333 CA THR A 49 20.671 0.861 -3.527 1.00 1.00 C ATOM 334 C THR A 49 19.839 -0.421 -3.593 1.00 1.00 C ATOM 335 O THR A 49 20.232 -1.453 -3.087 1.00 1.00 O ATOM 336 CB THR A 49 21.336 1.109 -4.884 1.00 1.00 C ATOM 337 OG1 THR A 49 22.446 0.234 -5.031 1.00 1.00 O ATOM 338 CG2 THR A 49 21.812 2.560 -4.964 1.00 1.00 C ATOM 0 H THR A 49 22.642 0.447 -2.821 1.00 1.00 H new ATOM 0 HA THR A 49 20.023 1.702 -3.281 1.00 1.00 H new ATOM 0 HB THR A 49 20.617 0.922 -5.682 1.00 1.00 H new ATOM 0 HG1 THR A 49 22.127 -0.663 -5.262 1.00 1.00 H new ATOM 0 HG21 THR A 49 22.285 2.735 -5.930 1.00 1.00 H new ATOM 0 HG22 THR A 49 20.959 3.229 -4.851 1.00 1.00 H new ATOM 0 HG23 THR A 49 22.531 2.751 -4.168 1.00 1.00 H new ATOM 339 N CYS A 50 18.692 -0.364 -4.212 1.00 1.00 N ATOM 340 CA CYS A 50 17.837 -1.581 -4.307 1.00 1.00 C ATOM 341 C CYS A 50 17.188 -1.854 -2.949 1.00 1.00 C ATOM 342 O CYS A 50 17.741 -1.546 -1.913 1.00 1.00 O ATOM 343 CB CYS A 50 18.698 -2.779 -4.712 1.00 1.00 C ATOM 344 SG CYS A 50 20.017 -2.227 -5.822 1.00 1.00 S ATOM 0 H CYS A 50 18.310 0.471 -4.656 1.00 1.00 H new ATOM 0 HA CYS A 50 17.061 -1.423 -5.056 1.00 1.00 H new ATOM 0 HB2 CYS A 50 19.126 -3.249 -3.826 1.00 1.00 H new ATOM 0 HB3 CYS A 50 18.083 -3.532 -5.206 1.00 1.00 H new ATOM 345 N TYR A 51 16.017 -2.431 -2.946 1.00 1.00 N ATOM 346 CA TYR A 51 15.334 -2.724 -1.654 1.00 1.00 C ATOM 347 C TYR A 51 16.276 -3.520 -0.748 1.00 1.00 C ATOM 348 O TYR A 51 17.087 -4.298 -1.210 1.00 1.00 O ATOM 349 CB TYR A 51 14.069 -3.542 -1.919 1.00 1.00 C ATOM 350 CG TYR A 51 14.433 -4.804 -2.664 1.00 1.00 C ATOM 351 CD1 TYR A 51 14.467 -4.804 -4.065 1.00 1.00 C ATOM 352 CD2 TYR A 51 14.737 -5.973 -1.955 1.00 1.00 C ATOM 353 CE1 TYR A 51 14.806 -5.975 -4.757 1.00 1.00 C ATOM 354 CE2 TYR A 51 15.076 -7.144 -2.647 1.00 1.00 C ATOM 355 CZ TYR A 51 15.110 -7.145 -4.048 1.00 1.00 C ATOM 356 OH TYR A 51 15.444 -8.297 -4.729 1.00 1.00 O ATOM 0 H TYR A 51 15.504 -2.712 -3.782 1.00 1.00 H new ATOM 0 HA TYR A 51 15.065 -1.788 -1.165 1.00 1.00 H new ATOM 0 HB2 TYR A 51 13.580 -3.791 -0.977 1.00 1.00 H new ATOM 0 HB3 TYR A 51 13.359 -2.955 -2.501 1.00 1.00 H new ATOM 0 HD1 TYR A 51 14.232 -3.902 -4.611 1.00 1.00 H new ATOM 0 HD2 TYR A 51 14.710 -5.972 -0.875 1.00 1.00 H new ATOM 0 HE1 TYR A 51 14.833 -5.976 -5.837 1.00 1.00 H new ATOM 0 HE2 TYR A 51 15.311 -8.045 -2.100 1.00 1.00 H new ATOM 0 HH TYR A 51 15.627 -9.015 -4.087 1.00 1.00 H new ATOM 357 N GLU A 52 16.175 -3.333 0.540 1.00 1.00 N ATOM 358 CA GLU A 52 17.065 -4.079 1.473 1.00 1.00 C ATOM 359 C GLU A 52 16.303 -5.268 2.063 1.00 1.00 C ATOM 360 O GLU A 52 16.479 -6.397 1.650 1.00 1.00 O ATOM 361 CB GLU A 52 17.515 -3.150 2.603 1.00 1.00 C ATOM 362 CG GLU A 52 18.851 -2.504 2.231 1.00 1.00 C ATOM 363 CD GLU A 52 18.979 -1.153 2.936 1.00 1.00 C ATOM 364 OE1 GLU A 52 17.985 -0.450 3.011 1.00 1.00 O ATOM 365 OE2 GLU A 52 20.069 -0.843 3.388 1.00 1.00 O ATOM 0 H GLU A 52 15.515 -2.696 0.986 1.00 1.00 H new ATOM 0 HA GLU A 52 17.939 -4.440 0.930 1.00 1.00 H new ATOM 0 HB2 GLU A 52 16.763 -2.381 2.777 1.00 1.00 H new ATOM 0 HB3 GLU A 52 17.617 -3.712 3.531 1.00 1.00 H new ATOM 0 HG2 GLU A 52 19.675 -3.156 2.520 1.00 1.00 H new ATOM 0 HG3 GLU A 52 18.914 -2.370 1.151 1.00 1.00 H new ATOM 366 N GLY A 53 15.456 -5.022 3.025 1.00 1.00 N ATOM 367 CA GLY A 53 14.683 -6.138 3.640 1.00 1.00 C ATOM 368 C GLY A 53 13.972 -6.933 2.543 1.00 1.00 C ATOM 369 O GLY A 53 14.056 -6.609 1.375 1.00 1.00 O ATOM 0 H GLY A 53 15.266 -4.097 3.411 1.00 1.00 H new ATOM 0 HA2 GLY A 53 15.351 -6.791 4.202 1.00 1.00 H new ATOM 0 HA3 GLY A 53 13.954 -5.743 4.348 1.00 1.00 H new ATOM 370 N ASN A 54 13.273 -7.973 2.908 1.00 1.00 N ATOM 371 CA ASN A 54 12.559 -8.787 1.885 1.00 1.00 C ATOM 372 C ASN A 54 11.545 -7.907 1.151 1.00 1.00 C ATOM 373 O ASN A 54 11.476 -7.901 -0.062 1.00 1.00 O ATOM 374 CB ASN A 54 11.828 -9.942 2.572 1.00 1.00 C ATOM 375 CG ASN A 54 10.894 -9.388 3.649 1.00 1.00 C ATOM 376 OD1 ASN A 54 11.342 -8.801 4.615 1.00 1.00 O ATOM 377 ND2 ASN A 54 9.605 -9.549 3.524 1.00 1.00 N ATOM 0 H ASN A 54 13.166 -8.294 3.870 1.00 1.00 H new ATOM 0 HA ASN A 54 13.279 -9.186 1.171 1.00 1.00 H new ATOM 0 HB2 ASN A 54 11.257 -10.512 1.839 1.00 1.00 H new ATOM 0 HB3 ASN A 54 12.548 -10.628 3.018 1.00 1.00 H new ATOM 0 HD21 ASN A 54 8.974 -9.182 4.236 1.00 1.00 H new ATOM 0 HD22 ASN A 54 9.229 -10.041 2.714 1.00 1.00 H new ATOM 378 N GLY A 55 10.756 -7.162 1.877 1.00 1.00 N ATOM 379 CA GLY A 55 9.747 -6.284 1.220 1.00 1.00 C ATOM 380 C GLY A 55 8.690 -5.865 2.243 1.00 1.00 C ATOM 381 O GLY A 55 8.338 -4.707 2.346 1.00 1.00 O ATOM 0 H GLY A 55 10.767 -7.124 2.896 1.00 1.00 H new ATOM 0 HA2 GLY A 55 10.234 -5.402 0.803 1.00 1.00 H new ATOM 0 HA3 GLY A 55 9.276 -6.811 0.390 1.00 1.00 H new ATOM 382 N HIS A 56 8.179 -6.798 2.999 1.00 1.00 N ATOM 383 CA HIS A 56 7.145 -6.450 4.014 1.00 1.00 C ATOM 384 C HIS A 56 7.645 -5.287 4.873 1.00 1.00 C ATOM 385 O HIS A 56 6.878 -4.452 5.312 1.00 1.00 O ATOM 386 CB HIS A 56 6.873 -7.663 4.905 1.00 1.00 C ATOM 387 CG HIS A 56 5.595 -7.448 5.668 1.00 1.00 C ATOM 388 ND1 HIS A 56 4.474 -6.877 5.085 1.00 1.00 N ATOM 389 CD2 HIS A 56 5.244 -7.721 6.967 1.00 1.00 C ATOM 390 CE1 HIS A 56 3.511 -6.825 6.024 1.00 1.00 C ATOM 391 NE2 HIS A 56 3.928 -7.327 7.190 1.00 1.00 N ATOM 0 H HIS A 56 8.433 -7.785 2.958 1.00 1.00 H new ATOM 0 HA HIS A 56 6.224 -6.159 3.508 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.799 -8.565 4.297 1.00 1.00 H new ATOM 0 HB3 HIS A 56 7.702 -7.812 5.597 1.00 1.00 H new ATOM 0 HD2 HIS A 56 5.891 -8.173 7.704 1.00 1.00 H new ATOM 0 HE1 HIS A 56 2.522 -6.426 5.855 1.00 1.00 H new ATOM 0 HE2 HIS A 56 3.396 -7.405 8.057 1.00 1.00 H new ATOM 392 N PHE A 57 8.925 -5.226 5.117 1.00 1.00 N ATOM 393 CA PHE A 57 9.473 -4.117 5.947 1.00 1.00 C ATOM 394 C PHE A 57 10.224 -3.133 5.049 1.00 1.00 C ATOM 395 O PHE A 57 11.406 -3.276 4.806 1.00 1.00 O ATOM 396 CB PHE A 57 10.435 -4.689 6.991 1.00 1.00 C ATOM 397 CG PHE A 57 9.802 -4.602 8.360 1.00 1.00 C ATOM 398 CD1 PHE A 57 9.451 -3.354 8.891 1.00 1.00 C ATOM 399 CD2 PHE A 57 9.567 -5.770 9.098 1.00 1.00 C ATOM 400 CE1 PHE A 57 8.865 -3.274 10.161 1.00 1.00 C ATOM 401 CE2 PHE A 57 8.980 -5.689 10.368 1.00 1.00 C ATOM 402 CZ PHE A 57 8.629 -4.441 10.899 1.00 1.00 C ATOM 0 H PHE A 57 9.615 -5.896 4.777 1.00 1.00 H new ATOM 0 HA PHE A 57 8.655 -3.601 6.450 1.00 1.00 H new ATOM 0 HB2 PHE A 57 10.672 -5.726 6.753 1.00 1.00 H new ATOM 0 HB3 PHE A 57 11.374 -4.136 6.977 1.00 1.00 H new ATOM 0 HD1 PHE A 57 9.632 -2.454 8.322 1.00 1.00 H new ATOM 0 HD2 PHE A 57 9.838 -6.732 8.688 1.00 1.00 H new ATOM 0 HE1 PHE A 57 8.595 -2.312 10.571 1.00 1.00 H new ATOM 0 HE2 PHE A 57 8.798 -6.589 10.937 1.00 1.00 H new ATOM 0 HZ PHE A 57 8.176 -4.379 11.878 1.00 1.00 H new ATOM 403 N TYR A 58 9.547 -2.134 4.551 1.00 1.00 N ATOM 404 CA TYR A 58 10.224 -1.144 3.668 1.00 1.00 C ATOM 405 C TYR A 58 9.212 -0.091 3.211 1.00 1.00 C ATOM 406 O TYR A 58 8.018 -0.253 3.370 1.00 1.00 O ATOM 407 CB TYR A 58 10.799 -1.862 2.445 1.00 1.00 C ATOM 408 CG TYR A 58 12.043 -1.145 1.978 1.00 1.00 C ATOM 409 CD1 TYR A 58 13.074 -0.866 2.885 1.00 1.00 C ATOM 410 CD2 TYR A 58 12.165 -0.757 0.637 1.00 1.00 C ATOM 411 CE1 TYR A 58 14.228 -0.200 2.451 1.00 1.00 C ATOM 412 CE2 TYR A 58 13.319 -0.092 0.203 1.00 1.00 C ATOM 413 CZ TYR A 58 14.351 0.187 1.109 1.00 1.00 C ATOM 414 OH TYR A 58 15.487 0.842 0.682 1.00 1.00 O ATOM 0 H TYR A 58 8.556 -1.961 4.718 1.00 1.00 H new ATOM 0 HA TYR A 58 11.030 -0.658 4.218 1.00 1.00 H new ATOM 0 HB2 TYR A 58 11.035 -2.896 2.695 1.00 1.00 H new ATOM 0 HB3 TYR A 58 10.060 -1.888 1.645 1.00 1.00 H new ATOM 0 HD1 TYR A 58 12.979 -1.164 3.919 1.00 1.00 H new ATOM 0 HD2 TYR A 58 11.370 -0.971 -0.062 1.00 1.00 H new ATOM 0 HE1 TYR A 58 15.023 0.015 3.150 1.00 1.00 H new ATOM 0 HE2 TYR A 58 13.413 0.206 -0.831 1.00 1.00 H new ATOM 0 HH TYR A 58 15.411 1.038 -0.275 1.00 1.00 H new ATOM 415 N ARG A 59 9.679 0.987 2.644 1.00 1.00 N ATOM 416 CA ARG A 59 8.744 2.049 2.177 1.00 1.00 C ATOM 417 C ARG A 59 8.823 2.163 0.653 1.00 1.00 C ATOM 418 O ARG A 59 8.687 3.233 0.093 1.00 1.00 O ATOM 419 CB ARG A 59 9.134 3.386 2.810 1.00 1.00 C ATOM 420 CG ARG A 59 8.953 3.305 4.328 1.00 1.00 C ATOM 421 CD ARG A 59 7.555 2.775 4.649 1.00 1.00 C ATOM 422 NE ARG A 59 7.050 3.426 5.891 1.00 1.00 N ATOM 423 CZ ARG A 59 6.216 2.791 6.667 1.00 1.00 C ATOM 424 NH1 ARG A 59 6.597 1.707 7.287 1.00 1.00 N ATOM 425 NH2 ARG A 59 5.001 3.239 6.824 1.00 1.00 N ATOM 0 H ARG A 59 10.668 1.178 2.484 1.00 1.00 H new ATOM 0 HA ARG A 59 7.726 1.792 2.470 1.00 1.00 H new ATOM 0 HB2 ARG A 59 10.170 3.626 2.569 1.00 1.00 H new ATOM 0 HB3 ARG A 59 8.518 4.187 2.402 1.00 1.00 H new ATOM 0 HG2 ARG A 59 9.710 2.650 4.760 1.00 1.00 H new ATOM 0 HG3 ARG A 59 9.091 4.290 4.774 1.00 1.00 H new ATOM 0 HD2 ARG A 59 6.878 2.977 3.819 1.00 1.00 H new ATOM 0 HD3 ARG A 59 7.586 1.693 4.779 1.00 1.00 H new ATOM 0 HE ARG A 59 7.357 4.368 6.134 1.00 1.00 H new ATOM 0 HH11 ARG A 59 7.547 1.357 7.165 1.00 1.00 H new ATOM 0 HH12 ARG A 59 5.945 1.211 7.894 1.00 1.00 H new ATOM 0 HH21 ARG A 59 4.703 4.086 6.340 1.00 1.00 H new ATOM 0 HH22 ARG A 59 4.349 2.742 7.431 1.00 1.00 H new ATOM 426 N GLY A 60 9.043 1.068 -0.022 1.00 1.00 N ATOM 427 CA GLY A 60 9.132 1.115 -1.509 1.00 1.00 C ATOM 428 C GLY A 60 7.782 1.538 -2.090 1.00 1.00 C ATOM 429 O GLY A 60 6.754 1.410 -1.454 1.00 1.00 O ATOM 0 H GLY A 60 9.165 0.144 0.392 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.907 1.817 -1.815 1.00 1.00 H new ATOM 0 HA3 GLY A 60 9.416 0.137 -1.898 1.00 1.00 H new ATOM 430 N LYS A 61 7.775 2.042 -3.293 1.00 1.00 N ATOM 431 CA LYS A 61 6.491 2.473 -3.914 1.00 1.00 C ATOM 432 C LYS A 61 5.984 1.377 -4.853 1.00 1.00 C ATOM 433 O LYS A 61 5.060 0.654 -4.537 1.00 1.00 O ATOM 434 CB LYS A 61 6.715 3.762 -4.708 1.00 1.00 C ATOM 435 CG LYS A 61 6.472 4.970 -3.801 1.00 1.00 C ATOM 436 CD LYS A 61 7.666 5.922 -3.887 1.00 1.00 C ATOM 437 CE LYS A 61 8.627 5.642 -2.730 1.00 1.00 C ATOM 438 NZ LYS A 61 9.766 6.602 -2.786 1.00 1.00 N ATOM 0 H LYS A 61 8.603 2.174 -3.873 1.00 1.00 H new ATOM 0 HA LYS A 61 5.752 2.651 -3.133 1.00 1.00 H new ATOM 0 HB2 LYS A 61 7.731 3.788 -5.101 1.00 1.00 H new ATOM 0 HB3 LYS A 61 6.041 3.796 -5.564 1.00 1.00 H new ATOM 0 HG2 LYS A 61 5.560 5.486 -4.101 1.00 1.00 H new ATOM 0 HG3 LYS A 61 6.328 4.642 -2.771 1.00 1.00 H new ATOM 0 HD2 LYS A 61 8.180 5.793 -4.840 1.00 1.00 H new ATOM 0 HD3 LYS A 61 7.324 6.956 -3.847 1.00 1.00 H new ATOM 0 HE2 LYS A 61 8.104 5.737 -1.778 1.00 1.00 H new ATOM 0 HE3 LYS A 61 8.997 4.618 -2.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 10.419 6.412 -2.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 10.270 6.491 -3.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 9.405 7.574 -2.708 1.00 1.00 H new ATOM 439 N ALA A 62 6.582 1.247 -6.006 1.00 1.00 N ATOM 440 CA ALA A 62 6.133 0.197 -6.964 1.00 1.00 C ATOM 441 C ALA A 62 4.605 0.185 -7.026 1.00 1.00 C ATOM 442 O ALA A 62 3.977 -0.850 -6.916 1.00 1.00 O ATOM 443 CB ALA A 62 6.636 -1.170 -6.495 1.00 1.00 C ATOM 0 H ALA A 62 7.361 1.822 -6.326 1.00 1.00 H new ATOM 0 HA ALA A 62 6.535 0.411 -7.954 1.00 1.00 H new ATOM 0 HB1 ALA A 62 6.308 -1.938 -7.195 1.00 1.00 H new ATOM 0 HB2 ALA A 62 7.725 -1.161 -6.450 1.00 1.00 H new ATOM 0 HB3 ALA A 62 6.234 -1.386 -5.505 1.00 1.00 H new ATOM 444 N SER A 63 4.000 1.328 -7.199 1.00 1.00 N ATOM 445 CA SER A 63 2.513 1.382 -7.265 1.00 1.00 C ATOM 446 C SER A 63 2.021 0.544 -8.447 1.00 1.00 C ATOM 447 O SER A 63 0.856 0.212 -8.541 1.00 1.00 O ATOM 448 CB SER A 63 2.063 2.832 -7.448 1.00 1.00 C ATOM 449 OG SER A 63 3.047 3.538 -8.193 1.00 1.00 O ATOM 0 H SER A 63 4.472 2.227 -7.297 1.00 1.00 H new ATOM 0 HA SER A 63 2.096 0.984 -6.340 1.00 1.00 H new ATOM 0 HB2 SER A 63 1.105 2.865 -7.966 1.00 1.00 H new ATOM 0 HB3 SER A 63 1.917 3.305 -6.477 1.00 1.00 H new ATOM 0 HG SER A 63 2.761 4.468 -8.314 1.00 1.00 H new ATOM 450 N THR A 64 2.898 0.199 -9.351 1.00 1.00 N ATOM 451 CA THR A 64 2.472 -0.615 -10.523 1.00 1.00 C ATOM 452 C THR A 64 2.737 -2.097 -10.244 1.00 1.00 C ATOM 453 O THR A 64 3.191 -2.468 -9.179 1.00 1.00 O ATOM 454 CB THR A 64 3.259 -0.185 -11.765 1.00 1.00 C ATOM 455 OG1 THR A 64 4.648 -0.375 -11.532 1.00 1.00 O ATOM 456 CG2 THR A 64 2.987 1.288 -12.067 1.00 1.00 C ATOM 0 H THR A 64 3.888 0.445 -9.328 1.00 1.00 H new ATOM 0 HA THR A 64 1.407 -0.461 -10.697 1.00 1.00 H new ATOM 0 HB THR A 64 2.946 -0.788 -12.617 1.00 1.00 H new ATOM 0 HG1 THR A 64 5.153 -0.102 -12.326 1.00 1.00 H new ATOM 0 HG21 THR A 64 3.549 1.588 -12.951 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.922 1.432 -12.248 1.00 1.00 H new ATOM 0 HG23 THR A 64 3.296 1.897 -11.217 1.00 1.00 H new ATOM 457 N ASP A 65 2.459 -2.944 -11.197 1.00 1.00 N ATOM 458 CA ASP A 65 2.695 -4.406 -10.996 1.00 1.00 C ATOM 459 C ASP A 65 4.030 -4.795 -11.651 1.00 1.00 C ATOM 460 O ASP A 65 4.915 -3.976 -11.799 1.00 1.00 O ATOM 461 CB ASP A 65 1.556 -5.222 -11.628 1.00 1.00 C ATOM 462 CG ASP A 65 0.524 -4.298 -12.284 1.00 1.00 C ATOM 463 OD1 ASP A 65 0.062 -3.389 -11.616 1.00 1.00 O ATOM 464 OD2 ASP A 65 0.216 -4.517 -13.444 1.00 1.00 O ATOM 0 H ASP A 65 2.078 -2.688 -12.108 1.00 1.00 H new ATOM 0 HA ASP A 65 2.728 -4.620 -9.928 1.00 1.00 H new ATOM 0 HB2 ASP A 65 1.963 -5.907 -12.372 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.072 -5.831 -10.865 1.00 1.00 H new ATOM 465 N THR A 66 4.186 -6.035 -12.052 1.00 1.00 N ATOM 466 CA THR A 66 5.458 -6.461 -12.701 1.00 1.00 C ATOM 467 C THR A 66 5.396 -6.140 -14.194 1.00 1.00 C ATOM 468 O THR A 66 6.160 -6.663 -14.981 1.00 1.00 O ATOM 469 CB THR A 66 5.641 -7.970 -12.525 1.00 1.00 C ATOM 470 OG1 THR A 66 4.468 -8.641 -12.963 1.00 1.00 O ATOM 471 CG2 THR A 66 5.892 -8.291 -11.053 1.00 1.00 C ATOM 0 H THR A 66 3.484 -6.768 -11.956 1.00 1.00 H new ATOM 0 HA THR A 66 6.293 -5.932 -12.241 1.00 1.00 H new ATOM 0 HB THR A 66 6.495 -8.302 -13.116 1.00 1.00 H new ATOM 0 HG1 THR A 66 4.584 -9.608 -12.853 1.00 1.00 H new ATOM 0 HG21 THR A 66 6.022 -9.366 -10.932 1.00 1.00 H new ATOM 0 HG22 THR A 66 6.792 -7.777 -10.717 1.00 1.00 H new ATOM 0 HG23 THR A 66 5.041 -7.959 -10.458 1.00 1.00 H new ATOM 472 N MET A 67 4.496 -5.285 -14.594 1.00 1.00 N ATOM 473 CA MET A 67 4.396 -4.937 -16.031 1.00 1.00 C ATOM 474 C MET A 67 4.474 -3.421 -16.167 1.00 1.00 C ATOM 475 O MET A 67 5.138 -2.892 -17.037 1.00 1.00 O ATOM 476 CB MET A 67 3.064 -5.439 -16.591 1.00 1.00 C ATOM 477 CG MET A 67 3.292 -6.736 -17.369 1.00 1.00 C ATOM 478 SD MET A 67 2.091 -7.980 -16.834 1.00 1.00 S ATOM 479 CE MET A 67 2.772 -8.258 -15.181 1.00 1.00 C ATOM 0 H MET A 67 3.827 -4.814 -13.985 1.00 1.00 H new ATOM 0 HA MET A 67 5.209 -5.404 -16.587 1.00 1.00 H new ATOM 0 HB2 MET A 67 2.357 -5.609 -15.779 1.00 1.00 H new ATOM 0 HB3 MET A 67 2.624 -4.684 -17.243 1.00 1.00 H new ATOM 0 HG2 MET A 67 3.190 -6.553 -18.439 1.00 1.00 H new ATOM 0 HG3 MET A 67 4.306 -7.099 -17.202 1.00 1.00 H new ATOM 0 HE1 MET A 67 2.409 -9.210 -14.793 1.00 1.00 H new ATOM 0 HE2 MET A 67 3.860 -8.279 -15.235 1.00 1.00 H new ATOM 0 HE3 MET A 67 2.457 -7.453 -14.518 1.00 1.00 H new ATOM 480 N GLY A 68 3.807 -2.719 -15.296 1.00 1.00 N ATOM 481 CA GLY A 68 3.840 -1.236 -15.346 1.00 1.00 C ATOM 482 C GLY A 68 2.461 -0.682 -14.996 1.00 1.00 C ATOM 483 O GLY A 68 2.334 0.416 -14.492 1.00 1.00 O ATOM 0 H GLY A 68 3.237 -3.113 -14.547 1.00 1.00 H new ATOM 0 HA2 GLY A 68 4.585 -0.855 -14.647 1.00 1.00 H new ATOM 0 HA3 GLY A 68 4.136 -0.902 -16.340 1.00 1.00 H new ATOM 484 N ARG A 69 1.425 -1.432 -15.251 1.00 1.00 N ATOM 485 CA ARG A 69 0.062 -0.937 -14.919 1.00 1.00 C ATOM 486 C ARG A 69 0.081 -0.382 -13.497 1.00 1.00 C ATOM 487 O ARG A 69 0.873 -0.810 -12.684 1.00 1.00 O ATOM 488 CB ARG A 69 -0.951 -2.083 -14.979 1.00 1.00 C ATOM 489 CG ARG A 69 -0.879 -2.789 -16.332 1.00 1.00 C ATOM 490 CD ARG A 69 -1.235 -4.263 -16.138 1.00 1.00 C ATOM 491 NE ARG A 69 -1.021 -5.002 -17.413 1.00 1.00 N ATOM 492 CZ ARG A 69 -1.510 -6.203 -17.561 1.00 1.00 C ATOM 493 NH1 ARG A 69 -1.057 -7.186 -16.832 1.00 1.00 N ATOM 494 NH2 ARG A 69 -2.453 -6.420 -18.436 1.00 1.00 N ATOM 0 H ARG A 69 1.463 -2.360 -15.672 1.00 1.00 H new ATOM 0 HA ARG A 69 -0.224 -0.168 -15.636 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -0.751 -2.796 -14.179 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.957 -1.696 -14.817 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -1.568 -2.324 -17.037 1.00 1.00 H new ATOM 0 HG3 ARG A 69 0.122 -2.695 -16.754 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -0.620 -4.695 -15.348 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -2.274 -4.358 -15.821 1.00 1.00 H new ATOM 0 HE ARG A 69 -0.492 -4.570 -18.171 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -0.321 -7.016 -16.147 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -1.439 -8.125 -16.947 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -2.808 -5.651 -19.004 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -2.835 -7.359 -18.552 1.00 1.00 H new ATOM 495 N PRO A 70 -0.802 0.541 -13.230 1.00 1.00 N ATOM 496 CA PRO A 70 -0.901 1.139 -11.911 1.00 1.00 C ATOM 497 C PRO A 70 -1.530 0.141 -10.932 1.00 1.00 C ATOM 498 O PRO A 70 -1.720 0.435 -9.768 1.00 1.00 O ATOM 499 CB PRO A 70 -1.805 2.347 -12.109 1.00 1.00 C ATOM 500 CG PRO A 70 -2.664 1.960 -13.355 1.00 1.00 C ATOM 501 CD PRO A 70 -1.755 1.049 -14.228 1.00 1.00 C ATOM 0 HA PRO A 70 0.068 1.418 -11.497 1.00 1.00 H new ATOM 0 HB2 PRO A 70 -2.428 2.530 -11.233 1.00 1.00 H new ATOM 0 HB3 PRO A 70 -1.228 3.255 -12.285 1.00 1.00 H new ATOM 0 HG2 PRO A 70 -3.572 1.436 -13.057 1.00 1.00 H new ATOM 0 HG3 PRO A 70 -2.975 2.847 -13.907 1.00 1.00 H new ATOM 0 HD2 PRO A 70 -2.317 0.246 -14.705 1.00 1.00 H new ATOM 0 HD3 PRO A 70 -1.259 1.606 -15.023 1.00 1.00 H new ATOM 502 N CYS A 71 -1.854 -1.039 -11.396 1.00 1.00 N ATOM 503 CA CYS A 71 -2.468 -2.051 -10.495 1.00 1.00 C ATOM 504 C CYS A 71 -3.885 -1.608 -10.130 1.00 1.00 C ATOM 505 O CYS A 71 -4.255 -0.468 -10.327 1.00 1.00 O ATOM 506 CB CYS A 71 -1.628 -2.169 -9.222 1.00 1.00 C ATOM 507 SG CYS A 71 -1.924 -3.775 -8.444 1.00 1.00 S ATOM 0 H CYS A 71 -1.719 -1.342 -12.360 1.00 1.00 H new ATOM 0 HA CYS A 71 -2.506 -3.017 -10.998 1.00 1.00 H new ATOM 0 HB2 CYS A 71 -0.570 -2.059 -9.461 1.00 1.00 H new ATOM 0 HB3 CYS A 71 -1.883 -1.366 -8.530 1.00 1.00 H new ATOM 508 N LEU A 72 -4.680 -2.493 -9.594 1.00 1.00 N ATOM 509 CA LEU A 72 -6.068 -2.105 -9.215 1.00 1.00 C ATOM 510 C LEU A 72 -6.042 -1.429 -7.841 1.00 1.00 C ATOM 511 O LEU A 72 -5.729 -2.066 -6.854 1.00 1.00 O ATOM 512 CB LEU A 72 -6.949 -3.355 -9.132 1.00 1.00 C ATOM 513 CG LEU A 72 -7.054 -4.007 -10.509 1.00 1.00 C ATOM 514 CD1 LEU A 72 -7.122 -5.526 -10.347 1.00 1.00 C ATOM 515 CD2 LEU A 72 -8.323 -3.514 -11.206 1.00 1.00 C ATOM 0 H LEU A 72 -4.430 -3.463 -9.403 1.00 1.00 H new ATOM 0 HA LEU A 72 -6.469 -1.422 -9.964 1.00 1.00 H new ATOM 0 HB2 LEU A 72 -6.528 -4.061 -8.416 1.00 1.00 H new ATOM 0 HB3 LEU A 72 -7.942 -3.088 -8.769 1.00 1.00 H new ATOM 0 HG LEU A 72 -6.182 -3.743 -11.107 1.00 1.00 H new ATOM 0 HD11 LEU A 72 -7.197 -5.994 -11.329 1.00 1.00 H new ATOM 0 HD12 LEU A 72 -6.221 -5.879 -9.845 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -7.996 -5.790 -9.752 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -8.401 -3.977 -12.189 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -9.194 -3.782 -10.608 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -8.279 -2.431 -11.318 1.00 1.00 H new ATOM 516 N PRO A 73 -6.375 -0.163 -7.803 1.00 1.00 N ATOM 517 CA PRO A 73 -6.393 0.573 -6.553 1.00 1.00 C ATOM 518 C PRO A 73 -7.183 -0.224 -5.516 1.00 1.00 C ATOM 519 O PRO A 73 -8.183 -0.832 -5.830 1.00 1.00 O ATOM 520 CB PRO A 73 -7.098 1.883 -6.888 1.00 1.00 C ATOM 521 CG PRO A 73 -6.842 2.052 -8.419 1.00 1.00 C ATOM 522 CD PRO A 73 -6.758 0.609 -8.995 1.00 1.00 C ATOM 0 HA PRO A 73 -5.400 0.748 -6.139 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -8.163 1.835 -6.662 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -6.688 2.717 -6.318 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.647 2.615 -8.891 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -5.919 2.601 -8.603 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.710 0.277 -9.410 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.018 0.528 -9.791 1.00 1.00 H new ATOM 523 N TRP A 74 -6.743 -0.241 -4.291 1.00 1.00 N ATOM 524 CA TRP A 74 -7.474 -1.017 -3.251 1.00 1.00 C ATOM 525 C TRP A 74 -8.972 -0.687 -3.308 1.00 1.00 C ATOM 526 O TRP A 74 -9.798 -1.450 -2.848 1.00 1.00 O ATOM 527 CB TRP A 74 -6.921 -0.661 -1.870 1.00 1.00 C ATOM 528 CG TRP A 74 -5.429 -0.766 -1.887 1.00 1.00 C ATOM 529 CD1 TRP A 74 -4.577 0.267 -1.693 1.00 1.00 C ATOM 530 CD2 TRP A 74 -4.598 -1.945 -2.105 1.00 1.00 C ATOM 531 NE1 TRP A 74 -3.278 -0.202 -1.777 1.00 1.00 N ATOM 532 CE2 TRP A 74 -3.239 -1.558 -2.029 1.00 1.00 C ATOM 533 CE3 TRP A 74 -4.889 -3.300 -2.358 1.00 1.00 C ATOM 534 CZ2 TRP A 74 -2.205 -2.481 -2.198 1.00 1.00 C ATOM 535 CZ3 TRP A 74 -3.850 -4.232 -2.528 1.00 1.00 C ATOM 536 CH2 TRP A 74 -2.511 -3.822 -2.449 1.00 1.00 C ATOM 0 H TRP A 74 -5.910 0.248 -3.964 1.00 1.00 H new ATOM 0 HA TRP A 74 -7.338 -2.083 -3.435 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -7.222 0.350 -1.596 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -7.335 -1.332 -1.117 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -4.864 1.291 -1.503 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -2.450 0.383 -1.666 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -5.917 -3.625 -2.422 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 -1.175 -2.161 -2.135 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 -4.084 -5.269 -2.720 1.00 1.00 H new ATOM 0 HH2 TRP A 74 -1.717 -4.542 -2.582 1.00 1.00 H new ATOM 537 N ASN A 75 -9.330 0.440 -3.866 1.00 1.00 N ATOM 538 CA ASN A 75 -10.776 0.809 -3.945 1.00 1.00 C ATOM 539 C ASN A 75 -11.467 -0.019 -5.035 1.00 1.00 C ATOM 540 O ASN A 75 -12.583 -0.465 -4.867 1.00 1.00 O ATOM 541 CB ASN A 75 -10.902 2.298 -4.277 1.00 1.00 C ATOM 542 CG ASN A 75 -12.182 2.854 -3.652 1.00 1.00 C ATOM 543 OD1 ASN A 75 -12.721 2.278 -2.728 1.00 1.00 O ATOM 544 ND2 ASN A 75 -12.693 3.960 -4.118 1.00 1.00 N ATOM 0 H ASN A 75 -8.686 1.120 -4.270 1.00 1.00 H new ATOM 0 HA ASN A 75 -11.252 0.605 -2.986 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -10.035 2.840 -3.899 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -10.921 2.440 -5.358 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -13.545 4.341 -3.707 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -12.241 4.444 -4.894 1.00 1.00 H new ATOM 545 N SER A 76 -10.806 -0.214 -6.149 1.00 1.00 N ATOM 546 CA SER A 76 -11.390 -1.003 -7.270 1.00 1.00 C ATOM 547 C SER A 76 -12.248 -2.133 -6.716 1.00 1.00 C ATOM 548 O SER A 76 -11.752 -3.135 -6.249 1.00 1.00 O ATOM 549 CB SER A 76 -10.263 -1.590 -8.120 1.00 1.00 C ATOM 550 OG SER A 76 -10.360 -1.081 -9.443 1.00 1.00 O ATOM 0 H SER A 76 -9.870 0.148 -6.329 1.00 1.00 H new ATOM 0 HA SER A 76 -12.010 -0.350 -7.884 1.00 1.00 H new ATOM 0 HB2 SER A 76 -9.295 -1.333 -7.689 1.00 1.00 H new ATOM 0 HB3 SER A 76 -10.329 -2.678 -8.131 1.00 1.00 H new ATOM 0 HG SER A 76 -9.555 -1.323 -9.947 1.00 1.00 H new ATOM 551 N ALA A 77 -13.533 -1.952 -6.760 1.00 1.00 N ATOM 552 CA ALA A 77 -14.482 -2.984 -6.233 1.00 1.00 C ATOM 553 C ALA A 77 -13.923 -4.394 -6.453 1.00 1.00 C ATOM 554 O ALA A 77 -14.137 -5.282 -5.653 1.00 1.00 O ATOM 555 CB ALA A 77 -15.823 -2.853 -6.959 1.00 1.00 C ATOM 0 H ALA A 77 -13.981 -1.120 -7.144 1.00 1.00 H new ATOM 0 HA ALA A 77 -14.617 -2.824 -5.163 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -16.517 -3.602 -6.579 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -16.234 -1.858 -6.788 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -15.674 -3.005 -8.028 1.00 1.00 H new ATOM 556 N THR A 78 -13.202 -4.608 -7.518 1.00 1.00 N ATOM 557 CA THR A 78 -12.628 -5.962 -7.762 1.00 1.00 C ATOM 558 C THR A 78 -11.722 -6.337 -6.592 1.00 1.00 C ATOM 559 O THR A 78 -11.944 -7.316 -5.906 1.00 1.00 O ATOM 560 CB THR A 78 -11.800 -5.944 -9.047 1.00 1.00 C ATOM 561 OG1 THR A 78 -12.280 -4.918 -9.904 1.00 1.00 O ATOM 562 CG2 THR A 78 -11.913 -7.297 -9.751 1.00 1.00 C ATOM 0 H THR A 78 -12.986 -3.908 -8.228 1.00 1.00 H new ATOM 0 HA THR A 78 -13.435 -6.688 -7.858 1.00 1.00 H new ATOM 0 HB THR A 78 -10.755 -5.753 -8.802 1.00 1.00 H new ATOM 0 HG1 THR A 78 -11.749 -4.904 -10.727 1.00 1.00 H new ATOM 0 HG21 THR A 78 -11.322 -7.281 -10.667 1.00 1.00 H new ATOM 0 HG22 THR A 78 -11.541 -8.082 -9.092 1.00 1.00 H new ATOM 0 HG23 THR A 78 -12.957 -7.493 -9.996 1.00 1.00 H new ATOM 563 N VAL A 79 -10.704 -5.558 -6.351 1.00 1.00 N ATOM 564 CA VAL A 79 -9.794 -5.852 -5.233 1.00 1.00 C ATOM 565 C VAL A 79 -10.602 -5.842 -3.936 1.00 1.00 C ATOM 566 O VAL A 79 -10.357 -6.618 -3.033 1.00 1.00 O ATOM 567 CB VAL A 79 -8.718 -4.777 -5.209 1.00 1.00 C ATOM 568 CG1 VAL A 79 -9.356 -3.402 -5.378 1.00 1.00 C ATOM 569 CG2 VAL A 79 -7.991 -4.822 -3.886 1.00 1.00 C ATOM 0 H VAL A 79 -10.470 -4.725 -6.891 1.00 1.00 H new ATOM 0 HA VAL A 79 -9.323 -6.829 -5.345 1.00 1.00 H new ATOM 0 HB VAL A 79 -8.017 -4.957 -6.024 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -8.580 -2.636 -5.360 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -9.885 -3.361 -6.330 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -10.060 -3.225 -4.565 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -7.220 -4.052 -3.868 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -8.699 -4.646 -3.076 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -7.529 -5.801 -3.758 1.00 1.00 H new ATOM 570 N LEU A 80 -11.589 -4.989 -3.849 1.00 1.00 N ATOM 571 CA LEU A 80 -12.434 -4.962 -2.625 1.00 1.00 C ATOM 572 C LEU A 80 -12.955 -6.378 -2.404 1.00 1.00 C ATOM 573 O LEU A 80 -13.046 -6.863 -1.294 1.00 1.00 O ATOM 574 CB LEU A 80 -13.619 -4.012 -2.826 1.00 1.00 C ATOM 575 CG LEU A 80 -13.112 -2.602 -3.139 1.00 1.00 C ATOM 576 CD1 LEU A 80 -14.297 -1.636 -3.189 1.00 1.00 C ATOM 577 CD2 LEU A 80 -12.144 -2.153 -2.044 1.00 1.00 C ATOM 0 H LEU A 80 -11.843 -4.314 -4.570 1.00 1.00 H new ATOM 0 HA LEU A 80 -11.855 -4.616 -1.769 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.249 -4.370 -3.640 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.238 -3.994 -1.929 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.600 -2.606 -4.101 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.938 -0.631 -3.412 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -14.993 -1.953 -3.966 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -14.806 -1.634 -2.225 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.783 -1.149 -2.267 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.658 -2.149 -1.083 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.300 -2.841 -2.000 1.00 1.00 H new ATOM 578 N GLN A 81 -13.278 -7.047 -3.477 1.00 1.00 N ATOM 579 CA GLN A 81 -13.776 -8.442 -3.379 1.00 1.00 C ATOM 580 C GLN A 81 -12.641 -9.329 -2.868 1.00 1.00 C ATOM 581 O GLN A 81 -12.850 -10.253 -2.107 1.00 1.00 O ATOM 582 CB GLN A 81 -14.210 -8.910 -4.771 1.00 1.00 C ATOM 583 CG GLN A 81 -15.624 -9.486 -4.705 1.00 1.00 C ATOM 584 CD GLN A 81 -15.671 -10.814 -5.462 1.00 1.00 C ATOM 585 OE1 GLN A 81 -14.919 -11.022 -6.394 1.00 1.00 O ATOM 586 NE2 GLN A 81 -16.528 -11.729 -5.099 1.00 1.00 N ATOM 0 H GLN A 81 -13.216 -6.679 -4.426 1.00 1.00 H new ATOM 0 HA GLN A 81 -14.623 -8.499 -2.696 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -14.180 -8.075 -5.471 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -13.517 -9.664 -5.144 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -15.918 -9.637 -3.666 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -16.335 -8.783 -5.139 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -17.159 -11.555 -4.317 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -16.566 -12.618 -5.597 1.00 1.00 H new ATOM 587 N GLN A 82 -11.436 -9.043 -3.281 1.00 1.00 N ATOM 588 CA GLN A 82 -10.271 -9.853 -2.826 1.00 1.00 C ATOM 589 C GLN A 82 -9.958 -9.518 -1.364 1.00 1.00 C ATOM 590 O GLN A 82 -10.840 -9.214 -0.586 1.00 1.00 O ATOM 591 CB GLN A 82 -9.056 -9.521 -3.697 1.00 1.00 C ATOM 592 CG GLN A 82 -9.420 -9.703 -5.171 1.00 1.00 C ATOM 593 CD GLN A 82 -8.916 -11.063 -5.658 1.00 1.00 C ATOM 594 OE1 GLN A 82 -8.532 -11.207 -6.802 1.00 1.00 O ATOM 595 NE2 GLN A 82 -8.899 -12.073 -4.832 1.00 1.00 N ATOM 0 H GLN A 82 -11.208 -8.279 -3.917 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.505 -10.914 -2.913 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -8.734 -8.496 -3.515 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -8.220 -10.169 -3.435 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.500 -9.636 -5.301 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -8.977 -8.905 -5.767 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -9.221 -11.952 -3.872 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -8.563 -12.983 -5.146 1.00 1.00 H new ATOM 596 N THR A 83 -8.709 -9.568 -0.985 1.00 1.00 N ATOM 597 CA THR A 83 -8.342 -9.250 0.421 1.00 1.00 C ATOM 598 C THR A 83 -7.592 -7.914 0.452 1.00 1.00 C ATOM 599 O THR A 83 -7.906 -7.021 -0.306 1.00 1.00 O ATOM 600 CB THR A 83 -7.450 -10.365 0.973 1.00 1.00 C ATOM 601 OG1 THR A 83 -7.732 -11.578 0.290 1.00 1.00 O ATOM 602 CG2 THR A 83 -7.721 -10.543 2.468 1.00 1.00 C ATOM 0 H THR A 83 -7.927 -9.816 -1.591 1.00 1.00 H new ATOM 0 HA THR A 83 -9.240 -9.174 1.035 1.00 1.00 H new ATOM 0 HB THR A 83 -6.403 -10.101 0.825 1.00 1.00 H new ATOM 0 HG1 THR A 83 -7.162 -11.646 -0.504 1.00 1.00 H new ATOM 0 HG21 THR A 83 -7.086 -11.337 2.861 1.00 1.00 H new ATOM 0 HG22 THR A 83 -7.503 -9.612 2.991 1.00 1.00 H new ATOM 0 HG23 THR A 83 -8.768 -10.807 2.619 1.00 1.00 H new ATOM 603 N TYR A 84 -6.609 -7.794 1.324 1.00 1.00 N ATOM 604 CA TYR A 84 -5.791 -6.534 1.454 1.00 1.00 C ATOM 605 C TYR A 84 -6.217 -5.474 0.440 1.00 1.00 C ATOM 606 O TYR A 84 -5.533 -5.202 -0.527 1.00 1.00 O ATOM 607 CB TYR A 84 -4.316 -6.881 1.263 1.00 1.00 C ATOM 608 CG TYR A 84 -3.949 -7.995 2.218 1.00 1.00 C ATOM 609 CD1 TYR A 84 -3.956 -7.769 3.601 1.00 1.00 C ATOM 610 CD2 TYR A 84 -3.610 -9.259 1.717 1.00 1.00 C ATOM 611 CE1 TYR A 84 -3.621 -8.807 4.482 1.00 1.00 C ATOM 612 CE2 TYR A 84 -3.276 -10.297 2.598 1.00 1.00 C ATOM 613 CZ TYR A 84 -3.282 -10.071 3.980 1.00 1.00 C ATOM 614 OH TYR A 84 -2.953 -11.092 4.848 1.00 1.00 O ATOM 0 H TYR A 84 -6.333 -8.536 1.967 1.00 1.00 H new ATOM 0 HA TYR A 84 -5.955 -6.115 2.447 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -4.131 -7.190 0.234 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -3.695 -6.005 1.449 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -4.219 -6.796 3.988 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -3.606 -9.434 0.651 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -3.624 -8.633 5.548 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -3.014 -11.271 2.211 1.00 1.00 H new ATOM 0 HH TYR A 84 -1.979 -11.190 4.883 1.00 1.00 H new ATOM 615 N HIS A 85 -7.354 -4.874 0.666 1.00 1.00 N ATOM 616 CA HIS A 85 -7.853 -3.826 -0.263 1.00 1.00 C ATOM 617 C HIS A 85 -8.294 -2.609 0.555 1.00 1.00 C ATOM 618 O HIS A 85 -7.716 -2.298 1.577 1.00 1.00 O ATOM 619 CB HIS A 85 -9.041 -4.374 -1.057 1.00 1.00 C ATOM 620 CG HIS A 85 -10.194 -4.627 -0.126 1.00 1.00 C ATOM 621 ND1 HIS A 85 -10.415 -5.858 0.469 1.00 1.00 N ATOM 622 CD2 HIS A 85 -11.200 -3.812 0.321 1.00 1.00 C ATOM 623 CE1 HIS A 85 -11.517 -5.743 1.236 1.00 1.00 C ATOM 624 NE2 HIS A 85 -12.031 -4.519 1.180 1.00 1.00 N ATOM 0 H HIS A 85 -7.962 -5.068 1.462 1.00 1.00 H new ATOM 0 HA HIS A 85 -7.064 -3.536 -0.956 1.00 1.00 H new ATOM 0 HB2 HIS A 85 -9.334 -3.664 -1.830 1.00 1.00 H new ATOM 0 HB3 HIS A 85 -8.759 -5.298 -1.563 1.00 1.00 H new ATOM 0 HD1 HIS A 85 -9.848 -6.697 0.349 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -11.328 -2.775 0.047 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -11.932 -6.548 1.825 1.00 1.00 H new ATOM 625 N ALA A 86 -9.306 -1.913 0.115 1.00 1.00 N ATOM 626 CA ALA A 86 -9.765 -0.715 0.876 1.00 1.00 C ATOM 627 C ALA A 86 -11.149 -0.970 1.480 1.00 1.00 C ATOM 628 O ALA A 86 -12.081 -0.233 1.237 1.00 1.00 O ATOM 629 CB ALA A 86 -9.845 0.485 -0.069 1.00 1.00 C ATOM 0 H ALA A 86 -9.833 -2.120 -0.734 1.00 1.00 H new ATOM 0 HA ALA A 86 -9.056 -0.513 1.679 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -10.180 1.362 0.484 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -8.861 0.679 -0.495 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -10.551 0.270 -0.871 1.00 1.00 H new ATOM 630 N HIS A 87 -11.294 -2.004 2.268 1.00 1.00 N ATOM 631 CA HIS A 87 -12.625 -2.288 2.884 1.00 1.00 C ATOM 632 C HIS A 87 -12.543 -3.547 3.751 1.00 1.00 C ATOM 633 O HIS A 87 -13.453 -4.353 3.772 1.00 1.00 O ATOM 634 CB HIS A 87 -13.672 -2.506 1.789 1.00 1.00 C ATOM 635 CG HIS A 87 -14.510 -1.265 1.633 1.00 1.00 C ATOM 636 ND1 HIS A 87 -14.431 -0.024 2.215 1.00 1.00 N flip ATOM 637 CD2 HIS A 87 -15.602 -1.214 0.781 1.00 1.00 C flip ATOM 638 CE1 HIS A 87 -15.456 0.785 1.735 1.00 1.00 C flip ATOM 639 NE2 HIS A 87 -16.132 0.019 0.874 1.00 1.00 N flip ATOM 0 H HIS A 87 -10.553 -2.661 2.511 1.00 1.00 H new ATOM 0 HA HIS A 87 -12.911 -1.436 3.501 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -13.181 -2.746 0.846 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -14.306 -3.355 2.043 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -15.962 -2.018 0.156 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -15.661 1.811 2.001 1.00 1.00 H new ATOM 0 HE2 HIS A 87 -16.950 0.331 0.351 1.00 1.00 H new ATOM 640 N ARG A 88 -11.470 -3.728 4.472 1.00 1.00 N ATOM 641 CA ARG A 88 -11.358 -4.939 5.334 1.00 1.00 C ATOM 642 C ARG A 88 -10.557 -4.605 6.594 1.00 1.00 C ATOM 643 O ARG A 88 -10.279 -3.457 6.879 1.00 1.00 O ATOM 644 CB ARG A 88 -10.659 -6.062 4.565 1.00 1.00 C ATOM 645 CG ARG A 88 -9.397 -5.523 3.891 1.00 1.00 C ATOM 646 CD ARG A 88 -8.749 -6.628 3.052 1.00 1.00 C ATOM 647 NE ARG A 88 -8.772 -7.917 3.805 1.00 1.00 N ATOM 648 CZ ARG A 88 -9.860 -8.641 3.847 1.00 1.00 C ATOM 649 NH1 ARG A 88 -10.665 -8.681 2.819 1.00 1.00 N ATOM 650 NH2 ARG A 88 -10.142 -9.327 4.920 1.00 1.00 N ATOM 0 H ARG A 88 -10.671 -3.094 4.502 1.00 1.00 H new ATOM 0 HA ARG A 88 -12.358 -5.267 5.618 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.400 -6.874 5.245 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -11.334 -6.476 3.816 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -9.646 -4.671 3.258 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.695 -5.166 4.644 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -9.281 -6.739 2.107 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -7.722 -6.357 2.809 1.00 1.00 H new ATOM 0 HE ARG A 88 -7.933 -8.235 4.290 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -10.446 -8.146 1.979 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -11.513 -9.247 2.857 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -9.514 -9.298 5.724 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -10.990 -9.893 4.955 1.00 1.00 H new ATOM 651 N SER A 89 -10.187 -5.601 7.353 1.00 1.00 N ATOM 652 CA SER A 89 -9.409 -5.343 8.598 1.00 1.00 C ATOM 653 C SER A 89 -7.929 -5.648 8.351 1.00 1.00 C ATOM 654 O SER A 89 -7.181 -5.918 9.270 1.00 1.00 O ATOM 655 CB SER A 89 -9.934 -6.240 9.719 1.00 1.00 C ATOM 656 OG SER A 89 -9.500 -5.729 10.973 1.00 1.00 O ATOM 0 H SER A 89 -10.390 -6.583 7.164 1.00 1.00 H new ATOM 0 HA SER A 89 -9.519 -4.297 8.885 1.00 1.00 H new ATOM 0 HB2 SER A 89 -11.023 -6.281 9.687 1.00 1.00 H new ATOM 0 HB3 SER A 89 -9.572 -7.259 9.584 1.00 1.00 H new ATOM 0 HG SER A 89 -8.531 -5.587 10.951 1.00 1.00 H new ATOM 657 N ASP A 90 -7.501 -5.605 7.120 1.00 1.00 N ATOM 658 CA ASP A 90 -6.069 -5.889 6.819 1.00 1.00 C ATOM 659 C ASP A 90 -5.407 -4.631 6.256 1.00 1.00 C ATOM 660 O ASP A 90 -4.203 -4.565 6.116 1.00 1.00 O ATOM 661 CB ASP A 90 -5.972 -7.018 5.792 1.00 1.00 C ATOM 662 CG ASP A 90 -6.774 -8.226 6.282 1.00 1.00 C ATOM 663 OD1 ASP A 90 -7.490 -8.080 7.258 1.00 1.00 O ATOM 664 OD2 ASP A 90 -6.658 -9.275 5.671 1.00 1.00 O ATOM 0 H ASP A 90 -8.080 -5.386 6.309 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.561 -6.190 7.735 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -6.354 -6.681 4.829 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.929 -7.298 5.641 1.00 1.00 H new ATOM 665 N ALA A 91 -6.182 -3.627 5.944 1.00 1.00 N ATOM 666 CA ALA A 91 -5.591 -2.369 5.402 1.00 1.00 C ATOM 667 C ALA A 91 -4.861 -1.627 6.520 1.00 1.00 C ATOM 668 O ALA A 91 -4.280 -0.584 6.307 1.00 1.00 O ATOM 669 CB ALA A 91 -6.705 -1.481 4.842 1.00 1.00 C ATOM 0 H ALA A 91 -7.197 -3.623 6.041 1.00 1.00 H new ATOM 0 HA ALA A 91 -4.886 -2.612 4.607 1.00 1.00 H new ATOM 0 HB1 ALA A 91 -6.273 -0.562 4.446 1.00 1.00 H new ATOM 0 HB2 ALA A 91 -7.226 -2.010 4.044 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -7.410 -1.238 5.637 1.00 1.00 H new ATOM 670 N LEU A 92 -4.889 -2.155 7.709 1.00 1.00 N ATOM 671 CA LEU A 92 -4.197 -1.485 8.842 1.00 1.00 C ATOM 672 C LEU A 92 -2.709 -1.841 8.826 1.00 1.00 C ATOM 673 O LEU A 92 -1.864 -1.031 9.152 1.00 1.00 O ATOM 674 CB LEU A 92 -4.819 -1.940 10.165 1.00 1.00 C ATOM 675 CG LEU A 92 -4.388 -3.378 10.504 1.00 1.00 C ATOM 676 CD1 LEU A 92 -4.702 -3.669 11.970 1.00 1.00 C ATOM 677 CD2 LEU A 92 -5.150 -4.379 9.628 1.00 1.00 C ATOM 0 H LEU A 92 -5.364 -3.026 7.946 1.00 1.00 H new ATOM 0 HA LEU A 92 -4.308 -0.405 8.741 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.515 -1.266 10.966 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.906 -1.887 10.099 1.00 1.00 H new ATOM 0 HG LEU A 92 -3.318 -3.477 10.321 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -4.397 -4.687 12.212 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.160 -2.968 12.604 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -5.773 -3.560 12.141 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -4.837 -5.393 9.877 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -6.221 -4.276 9.805 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -4.935 -4.181 8.578 1.00 1.00 H new ATOM 678 N GLN A 93 -2.381 -3.048 8.456 1.00 1.00 N ATOM 679 CA GLN A 93 -0.951 -3.454 8.427 1.00 1.00 C ATOM 680 C GLN A 93 -0.290 -2.868 7.178 1.00 1.00 C ATOM 681 O GLN A 93 0.915 -2.733 7.104 1.00 1.00 O ATOM 682 CB GLN A 93 -0.862 -4.983 8.409 1.00 1.00 C ATOM 683 CG GLN A 93 0.222 -5.440 9.385 1.00 1.00 C ATOM 684 CD GLN A 93 1.601 -5.222 8.760 1.00 1.00 C ATOM 685 OE1 GLN A 93 1.715 -5.016 7.568 1.00 1.00 O ATOM 686 NE2 GLN A 93 2.662 -5.260 9.519 1.00 1.00 N ATOM 0 H GLN A 93 -3.043 -3.770 8.173 1.00 1.00 H new ATOM 0 HA GLN A 93 -0.435 -3.080 9.311 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -1.823 -5.417 8.686 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -0.632 -5.333 7.403 1.00 1.00 H new ATOM 0 HG2 GLN A 93 0.143 -4.883 10.319 1.00 1.00 H new ATOM 0 HG3 GLN A 93 0.085 -6.493 9.629 1.00 1.00 H new ATOM 0 HE21 GLN A 93 2.567 -5.433 10.520 1.00 1.00 H new ATOM 0 HE22 GLN A 93 3.586 -5.117 9.111 1.00 1.00 H new ATOM 687 N LEU A 94 -1.076 -2.509 6.200 1.00 1.00 N ATOM 688 CA LEU A 94 -0.506 -1.920 4.958 1.00 1.00 C ATOM 689 C LEU A 94 -1.144 -0.557 4.710 1.00 1.00 C ATOM 690 O LEU A 94 -0.879 0.087 3.715 1.00 1.00 O ATOM 691 CB LEU A 94 -0.810 -2.821 3.760 1.00 1.00 C ATOM 692 CG LEU A 94 -0.664 -4.286 4.155 1.00 1.00 C ATOM 693 CD1 LEU A 94 0.616 -4.484 4.969 1.00 1.00 C ATOM 694 CD2 LEU A 94 -1.877 -4.705 4.985 1.00 1.00 C ATOM 0 H LEU A 94 -2.092 -2.599 6.209 1.00 1.00 H new ATOM 0 HA LEU A 94 0.573 -1.822 5.078 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -1.822 -2.632 3.401 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -0.132 -2.588 2.939 1.00 1.00 H new ATOM 0 HG LEU A 94 -0.606 -4.900 3.256 1.00 1.00 H new ATOM 0 HD11 LEU A 94 0.712 -5.534 5.247 1.00 1.00 H new ATOM 0 HD12 LEU A 94 1.477 -4.187 4.371 1.00 1.00 H new ATOM 0 HD13 LEU A 94 0.572 -3.873 5.870 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -1.778 -5.752 5.271 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -1.935 -4.088 5.882 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -2.784 -4.574 4.395 1.00 1.00 H new ATOM 695 N GLY A 95 -1.994 -0.112 5.594 1.00 1.00 N ATOM 696 CA GLY A 95 -2.645 1.206 5.373 1.00 1.00 C ATOM 697 C GLY A 95 -3.145 1.280 3.927 1.00 1.00 C ATOM 698 O GLY A 95 -2.641 2.044 3.127 1.00 1.00 O ATOM 0 H GLY A 95 -2.262 -0.598 6.449 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -3.476 1.336 6.066 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -1.938 2.012 5.569 1.00 1.00 H new ATOM 699 N LEU A 96 -4.139 0.501 3.583 1.00 1.00 N ATOM 700 CA LEU A 96 -4.666 0.546 2.188 1.00 1.00 C ATOM 701 C LEU A 96 -5.830 1.539 2.149 1.00 1.00 C ATOM 702 O LEU A 96 -6.013 2.323 3.059 1.00 1.00 O ATOM 703 CB LEU A 96 -5.172 -0.842 1.756 1.00 1.00 C ATOM 704 CG LEU A 96 -4.265 -1.951 2.307 1.00 1.00 C ATOM 705 CD1 LEU A 96 -5.070 -3.246 2.435 1.00 1.00 C ATOM 706 CD2 LEU A 96 -3.098 -2.203 1.350 1.00 1.00 C ATOM 0 H LEU A 96 -4.605 -0.160 4.204 1.00 1.00 H new ATOM 0 HA LEU A 96 -3.871 0.852 1.508 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -6.191 -0.989 2.113 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -5.204 -0.900 0.668 1.00 1.00 H new ATOM 0 HG LEU A 96 -3.883 -1.640 3.279 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -4.429 -4.036 2.826 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -5.907 -3.088 3.115 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -5.448 -3.538 1.455 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -2.462 -2.992 1.752 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -3.484 -2.508 0.378 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -2.515 -1.289 1.238 1.00 1.00 H new ATOM 707 N GLY A 97 -6.622 1.519 1.113 1.00 1.00 N ATOM 708 CA GLY A 97 -7.768 2.473 1.047 1.00 1.00 C ATOM 709 C GLY A 97 -7.897 3.049 -0.367 1.00 1.00 C ATOM 710 O GLY A 97 -7.754 2.351 -1.350 1.00 1.00 O ATOM 0 H GLY A 97 -6.528 0.890 0.315 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -8.691 1.964 1.326 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -7.620 3.280 1.764 1.00 1.00 H new ATOM 711 N LYS A 98 -8.175 4.322 -0.473 1.00 1.00 N ATOM 712 CA LYS A 98 -8.324 4.949 -1.817 1.00 1.00 C ATOM 713 C LYS A 98 -6.944 5.255 -2.401 1.00 1.00 C ATOM 714 O LYS A 98 -6.446 6.359 -2.302 1.00 1.00 O ATOM 715 CB LYS A 98 -9.121 6.248 -1.688 1.00 1.00 C ATOM 716 CG LYS A 98 -10.520 5.938 -1.152 1.00 1.00 C ATOM 717 CD LYS A 98 -10.866 6.922 -0.033 1.00 1.00 C ATOM 718 CE LYS A 98 -12.126 7.703 -0.411 1.00 1.00 C ATOM 719 NZ LYS A 98 -11.972 9.125 0.008 1.00 1.00 N ATOM 0 H LYS A 98 -8.305 4.955 0.316 1.00 1.00 H new ATOM 0 HA LYS A 98 -8.851 4.261 -2.478 1.00 1.00 H new ATOM 0 HB2 LYS A 98 -8.608 6.937 -1.017 1.00 1.00 H new ATOM 0 HB3 LYS A 98 -9.193 6.741 -2.658 1.00 1.00 H new ATOM 0 HG2 LYS A 98 -11.253 6.011 -1.955 1.00 1.00 H new ATOM 0 HG3 LYS A 98 -10.559 4.915 -0.777 1.00 1.00 H new ATOM 0 HD2 LYS A 98 -11.025 6.385 0.902 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -10.036 7.609 0.132 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -12.294 7.646 -1.486 1.00 1.00 H new ATOM 0 HE3 LYS A 98 -12.998 7.263 0.072 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 -12.828 9.657 -0.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 -11.832 9.170 1.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 -11.149 9.541 -0.472 1.00 1.00 H new ATOM 720 N HIS A 99 -6.326 4.284 -3.012 1.00 1.00 N ATOM 721 CA HIS A 99 -4.980 4.507 -3.609 1.00 1.00 C ATOM 722 C HIS A 99 -4.456 3.166 -4.148 1.00 1.00 C ATOM 723 O HIS A 99 -5.159 2.177 -4.139 1.00 1.00 O ATOM 724 CB HIS A 99 -4.046 5.107 -2.537 1.00 1.00 C ATOM 725 CG HIS A 99 -3.065 4.087 -2.035 1.00 1.00 C ATOM 726 ND1 HIS A 99 -3.327 3.273 -0.943 1.00 1.00 N ATOM 727 CD2 HIS A 99 -1.818 3.741 -2.472 1.00 1.00 C ATOM 728 CE1 HIS A 99 -2.253 2.483 -0.766 1.00 1.00 C ATOM 729 NE2 HIS A 99 -1.308 2.732 -1.671 1.00 1.00 N ATOM 0 H HIS A 99 -6.697 3.341 -3.124 1.00 1.00 H new ATOM 0 HA HIS A 99 -5.027 5.212 -4.439 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -3.508 5.957 -2.956 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -4.640 5.484 -1.704 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -1.308 4.186 -3.313 1.00 1.00 H new ATOM 0 HE1 HIS A 99 -2.168 1.740 0.013 1.00 1.00 H new ATOM 0 HE2 HIS A 99 -0.400 2.276 -1.756 1.00 1.00 H new ATOM 730 N ASN A 100 -3.241 3.118 -4.627 1.00 1.00 N ATOM 731 CA ASN A 100 -2.720 1.826 -5.167 1.00 1.00 C ATOM 732 C ASN A 100 -1.246 1.637 -4.792 1.00 1.00 C ATOM 733 O ASN A 100 -0.364 2.226 -5.385 1.00 1.00 O ATOM 734 CB ASN A 100 -2.858 1.824 -6.691 1.00 1.00 C ATOM 735 CG ASN A 100 -2.525 3.214 -7.236 1.00 1.00 C ATOM 736 OD1 ASN A 100 -3.308 3.757 -8.128 1.00 1.00 O flip ATOM 737 ND2 ASN A 100 -1.542 3.813 -6.846 1.00 1.00 N flip ATOM 0 H ASN A 100 -2.594 3.905 -4.668 1.00 1.00 H new ATOM 0 HA ASN A 100 -3.298 1.008 -4.736 1.00 1.00 H new ATOM 0 HB2 ASN A 100 -2.189 1.081 -7.126 1.00 1.00 H new ATOM 0 HB3 ASN A 100 -3.873 1.544 -6.974 1.00 1.00 H new ATOM 0 HD21 ASN A 100 -0.930 3.389 -6.149 1.00 1.00 H new ATOM 0 HD22 ASN A 100 -1.329 4.740 -7.216 1.00 1.00 H new ATOM 738 N TYR A 101 -0.974 0.799 -3.825 1.00 1.00 N ATOM 739 CA TYR A 101 0.441 0.545 -3.419 1.00 1.00 C ATOM 740 C TYR A 101 0.765 -0.930 -3.657 1.00 1.00 C ATOM 741 O TYR A 101 -0.007 -1.657 -4.250 1.00 1.00 O ATOM 742 CB TYR A 101 0.622 0.857 -1.929 1.00 1.00 C ATOM 743 CG TYR A 101 1.245 2.225 -1.762 1.00 1.00 C ATOM 744 CD1 TYR A 101 1.087 3.194 -2.761 1.00 1.00 C ATOM 745 CD2 TYR A 101 1.969 2.528 -0.601 1.00 1.00 C ATOM 746 CE1 TYR A 101 1.652 4.466 -2.601 1.00 1.00 C ATOM 747 CE2 TYR A 101 2.536 3.799 -0.442 1.00 1.00 C ATOM 748 CZ TYR A 101 2.376 4.769 -1.442 1.00 1.00 C ATOM 749 OH TYR A 101 2.933 6.021 -1.284 1.00 1.00 O ATOM 0 H TYR A 101 -1.674 0.278 -3.297 1.00 1.00 H new ATOM 0 HA TYR A 101 1.105 1.181 -4.005 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -0.342 0.822 -1.421 1.00 1.00 H new ATOM 0 HB3 TYR A 101 1.254 0.101 -1.464 1.00 1.00 H new ATOM 0 HD1 TYR A 101 0.529 2.960 -3.656 1.00 1.00 H new ATOM 0 HD2 TYR A 101 2.090 1.782 0.171 1.00 1.00 H new ATOM 0 HE1 TYR A 101 1.529 5.213 -3.372 1.00 1.00 H new ATOM 0 HE2 TYR A 101 3.097 4.032 0.451 1.00 1.00 H new ATOM 0 HH TYR A 101 3.401 6.065 -0.424 1.00 1.00 H new ATOM 750 N CYS A 102 1.894 -1.384 -3.187 1.00 1.00 N ATOM 751 CA CYS A 102 2.252 -2.816 -3.375 1.00 1.00 C ATOM 752 C CYS A 102 2.326 -3.492 -2.003 1.00 1.00 C ATOM 753 O CYS A 102 1.741 -4.531 -1.782 1.00 1.00 O ATOM 754 CB CYS A 102 3.603 -2.924 -4.091 1.00 1.00 C ATOM 755 SG CYS A 102 3.889 -4.643 -4.589 1.00 1.00 S ATOM 0 H CYS A 102 2.582 -0.826 -2.682 1.00 1.00 H new ATOM 0 HA CYS A 102 1.496 -3.310 -3.984 1.00 1.00 H new ATOM 0 HB2 CYS A 102 3.616 -2.274 -4.966 1.00 1.00 H new ATOM 0 HB3 CYS A 102 4.403 -2.587 -3.432 1.00 1.00 H new ATOM 756 N ARG A 103 3.025 -2.903 -1.072 1.00 1.00 N ATOM 757 CA ARG A 103 3.116 -3.511 0.287 1.00 1.00 C ATOM 758 C ARG A 103 3.338 -5.020 0.161 1.00 1.00 C ATOM 759 O ARG A 103 3.704 -5.518 -0.886 1.00 1.00 O ATOM 760 CB ARG A 103 1.812 -3.250 1.045 1.00 1.00 C ATOM 761 CG ARG A 103 1.428 -1.776 0.907 1.00 1.00 C ATOM 762 CD ARG A 103 1.873 -1.013 2.156 1.00 1.00 C ATOM 763 NE ARG A 103 1.645 0.446 1.954 1.00 1.00 N ATOM 764 CZ ARG A 103 2.407 1.315 2.559 1.00 1.00 C ATOM 765 NH1 ARG A 103 3.705 1.230 2.454 1.00 1.00 N ATOM 766 NH2 ARG A 103 1.871 2.270 3.270 1.00 1.00 N ATOM 0 H ARG A 103 3.536 -2.029 -1.192 1.00 1.00 H new ATOM 0 HA ARG A 103 3.951 -3.067 0.829 1.00 1.00 H new ATOM 0 HB2 ARG A 103 1.017 -3.882 0.650 1.00 1.00 H new ATOM 0 HB3 ARG A 103 1.932 -3.508 2.097 1.00 1.00 H new ATOM 0 HG2 ARG A 103 1.897 -1.349 0.021 1.00 1.00 H new ATOM 0 HG3 ARG A 103 0.350 -1.681 0.775 1.00 1.00 H new ATOM 0 HD2 ARG A 103 1.317 -1.362 3.026 1.00 1.00 H new ATOM 0 HD3 ARG A 103 2.928 -1.203 2.355 1.00 1.00 H new ATOM 0 HE ARG A 103 0.893 0.765 1.343 1.00 1.00 H new ATOM 0 HH11 ARG A 103 4.124 0.484 1.899 1.00 1.00 H new ATOM 0 HH12 ARG A 103 4.301 1.910 2.927 1.00 1.00 H new ATOM 0 HH21 ARG A 103 0.857 2.337 3.352 1.00 1.00 H new ATOM 0 HH22 ARG A 103 2.467 2.949 3.743 1.00 1.00 H new ATOM 767 N ASN A 104 3.121 -5.754 1.220 1.00 1.00 N ATOM 768 CA ASN A 104 3.321 -7.233 1.157 1.00 1.00 C ATOM 769 C ASN A 104 2.676 -7.890 2.384 1.00 1.00 C ATOM 770 O ASN A 104 3.346 -8.562 3.143 1.00 1.00 O ATOM 771 CB ASN A 104 4.822 -7.574 1.138 1.00 1.00 C ATOM 772 CG ASN A 104 5.670 -6.300 1.036 1.00 1.00 C ATOM 773 OD1 ASN A 104 5.441 -5.343 1.749 1.00 1.00 O ATOM 774 ND2 ASN A 104 6.651 -6.250 0.176 1.00 1.00 N ATOM 0 H ASN A 104 2.815 -5.395 2.124 1.00 1.00 H new ATOM 0 HA ASN A 104 2.858 -7.607 0.244 1.00 1.00 H new ATOM 0 HB2 ASN A 104 5.087 -8.121 2.043 1.00 1.00 H new ATOM 0 HB3 ASN A 104 5.040 -8.229 0.295 1.00 1.00 H new ATOM 0 HD21 ASN A 104 7.223 -5.409 0.104 1.00 1.00 H new ATOM 0 HD22 ASN A 104 6.845 -7.052 -0.423 1.00 1.00 H new ATOM 775 N PRO A 105 1.392 -7.671 2.543 1.00 1.00 N ATOM 776 CA PRO A 105 0.639 -8.231 3.665 1.00 1.00 C ATOM 777 C PRO A 105 0.338 -9.728 3.469 1.00 1.00 C ATOM 778 O PRO A 105 -0.714 -10.203 3.850 1.00 1.00 O ATOM 779 CB PRO A 105 -0.660 -7.437 3.668 1.00 1.00 C ATOM 780 CG PRO A 105 -0.831 -7.016 2.176 1.00 1.00 C ATOM 781 CD PRO A 105 0.609 -6.827 1.624 1.00 1.00 C ATOM 0 HA PRO A 105 1.197 -8.160 4.598 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -1.499 -8.041 4.014 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -0.599 -6.570 4.326 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -1.369 -7.779 1.613 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -1.406 -6.094 2.093 1.00 1.00 H new ATOM 0 HD2 PRO A 105 0.698 -7.157 0.589 1.00 1.00 H new ATOM 0 HD3 PRO A 105 0.926 -5.785 1.655 1.00 1.00 H new ATOM 782 N ASP A 106 1.238 -10.482 2.895 1.00 1.00 N ATOM 783 CA ASP A 106 0.975 -11.936 2.705 1.00 1.00 C ATOM 784 C ASP A 106 2.289 -12.711 2.864 1.00 1.00 C ATOM 785 O ASP A 106 3.084 -12.421 3.736 1.00 1.00 O ATOM 786 CB ASP A 106 0.388 -12.173 1.311 1.00 1.00 C ATOM 787 CG ASP A 106 -0.407 -13.480 1.306 1.00 1.00 C ATOM 788 OD1 ASP A 106 -0.373 -14.175 2.308 1.00 1.00 O ATOM 789 OD2 ASP A 106 -1.037 -13.763 0.301 1.00 1.00 O ATOM 0 H ASP A 106 2.141 -10.154 2.551 1.00 1.00 H new ATOM 0 HA ASP A 106 0.261 -12.283 3.452 1.00 1.00 H new ATOM 0 HB2 ASP A 106 -0.258 -11.341 1.031 1.00 1.00 H new ATOM 0 HB3 ASP A 106 1.187 -12.219 0.571 1.00 1.00 H new ATOM 790 N ASN A 107 2.529 -13.693 2.035 1.00 1.00 N ATOM 791 CA ASN A 107 3.794 -14.473 2.154 1.00 1.00 C ATOM 792 C ASN A 107 4.590 -14.355 0.854 1.00 1.00 C ATOM 793 O ASN A 107 4.556 -15.231 0.013 1.00 1.00 O ATOM 794 CB ASN A 107 3.464 -15.943 2.419 1.00 1.00 C ATOM 795 CG ASN A 107 2.950 -16.101 3.851 1.00 1.00 C ATOM 796 OD1 ASN A 107 3.651 -15.799 4.797 1.00 1.00 O ATOM 797 ND2 ASN A 107 1.747 -16.566 4.052 1.00 1.00 N ATOM 0 H ASN A 107 1.905 -13.987 1.283 1.00 1.00 H new ATOM 0 HA ASN A 107 4.387 -14.080 2.980 1.00 1.00 H new ATOM 0 HB2 ASN A 107 2.712 -16.291 1.711 1.00 1.00 H new ATOM 0 HB3 ASN A 107 4.351 -16.558 2.270 1.00 1.00 H new ATOM 0 HD21 ASN A 107 1.395 -16.676 5.003 1.00 1.00 H new ATOM 0 HD22 ASN A 107 1.159 -16.819 3.258 1.00 1.00 H new ATOM 798 N ARG A 108 5.306 -13.278 0.681 1.00 1.00 N ATOM 799 CA ARG A 108 6.102 -13.105 -0.566 1.00 1.00 C ATOM 800 C ARG A 108 7.364 -12.298 -0.258 1.00 1.00 C ATOM 801 O ARG A 108 7.313 -11.271 0.390 1.00 1.00 O ATOM 802 CB ARG A 108 5.264 -12.360 -1.608 1.00 1.00 C ATOM 803 CG ARG A 108 5.298 -13.125 -2.932 1.00 1.00 C ATOM 804 CD ARG A 108 4.198 -14.187 -2.936 1.00 1.00 C ATOM 805 NE ARG A 108 4.798 -15.523 -3.211 1.00 1.00 N ATOM 806 CZ ARG A 108 4.215 -16.342 -4.043 1.00 1.00 C ATOM 807 NH1 ARG A 108 4.488 -16.281 -5.318 1.00 1.00 N ATOM 808 NH2 ARG A 108 3.360 -17.222 -3.600 1.00 1.00 N ATOM 0 H ARG A 108 5.374 -12.511 1.349 1.00 1.00 H new ATOM 0 HA ARG A 108 6.382 -14.084 -0.956 1.00 1.00 H new ATOM 0 HB2 ARG A 108 4.236 -12.260 -1.260 1.00 1.00 H new ATOM 0 HB3 ARG A 108 5.652 -11.351 -1.749 1.00 1.00 H new ATOM 0 HG2 ARG A 108 5.157 -12.437 -3.765 1.00 1.00 H new ATOM 0 HG3 ARG A 108 6.272 -13.595 -3.068 1.00 1.00 H new ATOM 0 HD2 ARG A 108 3.685 -14.198 -1.974 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.451 -13.949 -3.693 1.00 1.00 H new ATOM 0 HE ARG A 108 5.665 -15.797 -2.749 1.00 1.00 H new ATOM 0 HH11 ARG A 108 5.157 -15.593 -5.664 1.00 1.00 H new ATOM 0 HH12 ARG A 108 4.032 -16.921 -5.968 1.00 1.00 H new ATOM 0 HH21 ARG A 108 3.147 -17.270 -2.604 1.00 1.00 H new ATOM 0 HH22 ARG A 108 2.904 -17.862 -4.250 1.00 1.00 H new ATOM 809 N ARG A 109 8.498 -12.751 -0.720 1.00 1.00 N ATOM 810 CA ARG A 109 9.760 -12.005 -0.455 1.00 1.00 C ATOM 811 C ARG A 109 9.731 -10.674 -1.209 1.00 1.00 C ATOM 812 O ARG A 109 10.585 -9.829 -1.031 1.00 1.00 O ATOM 813 CB ARG A 109 10.953 -12.837 -0.932 1.00 1.00 C ATOM 814 CG ARG A 109 10.976 -14.171 -0.184 1.00 1.00 C ATOM 815 CD ARG A 109 12.001 -15.103 -0.832 1.00 1.00 C ATOM 816 NE ARG A 109 11.757 -16.502 -0.380 1.00 1.00 N ATOM 817 CZ ARG A 109 12.191 -17.504 -1.095 1.00 1.00 C ATOM 818 NH1 ARG A 109 12.064 -17.484 -2.393 1.00 1.00 N ATOM 819 NH2 ARG A 109 12.753 -18.527 -0.510 1.00 1.00 N ATOM 0 H ARG A 109 8.604 -13.604 -1.269 1.00 1.00 H new ATOM 0 HA ARG A 109 9.854 -11.815 0.614 1.00 1.00 H new ATOM 0 HB2 ARG A 109 10.883 -13.011 -2.006 1.00 1.00 H new ATOM 0 HB3 ARG A 109 11.882 -12.294 -0.757 1.00 1.00 H new ATOM 0 HG2 ARG A 109 11.229 -14.008 0.864 1.00 1.00 H new ATOM 0 HG3 ARG A 109 9.987 -14.629 -0.206 1.00 1.00 H new ATOM 0 HD2 ARG A 109 11.928 -15.042 -1.918 1.00 1.00 H new ATOM 0 HD3 ARG A 109 13.011 -14.794 -0.563 1.00 1.00 H new ATOM 0 HE ARG A 109 11.251 -16.676 0.488 1.00 1.00 H new ATOM 0 HH11 ARG A 109 11.625 -16.685 -2.850 1.00 1.00 H new ATOM 0 HH12 ARG A 109 12.404 -18.268 -2.951 1.00 1.00 H new ATOM 0 HH21 ARG A 109 12.853 -18.543 0.505 1.00 1.00 H new ATOM 0 HH22 ARG A 109 13.092 -19.310 -1.068 1.00 1.00 H new ATOM 820 N ARG A 110 8.752 -10.480 -2.052 1.00 1.00 N ATOM 821 CA ARG A 110 8.666 -9.205 -2.817 1.00 1.00 C ATOM 822 C ARG A 110 7.279 -8.585 -2.612 1.00 1.00 C ATOM 823 O ARG A 110 6.334 -9.279 -2.295 1.00 1.00 O ATOM 824 CB ARG A 110 8.885 -9.493 -4.304 1.00 1.00 C ATOM 825 CG ARG A 110 10.172 -10.299 -4.483 1.00 1.00 C ATOM 826 CD ARG A 110 10.301 -10.741 -5.942 1.00 1.00 C ATOM 827 NE ARG A 110 11.669 -10.423 -6.437 1.00 1.00 N ATOM 828 CZ ARG A 110 11.829 -9.906 -7.625 1.00 1.00 C ATOM 829 NH1 ARG A 110 11.207 -8.805 -7.946 1.00 1.00 N ATOM 830 NH2 ARG A 110 12.610 -10.491 -8.491 1.00 1.00 N ATOM 0 H ARG A 110 8.008 -11.151 -2.243 1.00 1.00 H new ATOM 0 HA ARG A 110 9.429 -8.511 -2.465 1.00 1.00 H new ATOM 0 HB2 ARG A 110 8.037 -10.047 -4.707 1.00 1.00 H new ATOM 0 HB3 ARG A 110 8.948 -8.558 -4.861 1.00 1.00 H new ATOM 0 HG2 ARG A 110 11.034 -9.696 -4.198 1.00 1.00 H new ATOM 0 HG3 ARG A 110 10.162 -11.170 -3.828 1.00 1.00 H new ATOM 0 HD2 ARG A 110 10.111 -11.811 -6.027 1.00 1.00 H new ATOM 0 HD3 ARG A 110 9.554 -10.235 -6.554 1.00 1.00 H new ATOM 0 HE ARG A 110 12.481 -10.609 -5.848 1.00 1.00 H new ATOM 0 HH11 ARG A 110 10.596 -8.348 -7.269 1.00 1.00 H new ATOM 0 HH12 ARG A 110 11.332 -8.401 -8.874 1.00 1.00 H new ATOM 0 HH21 ARG A 110 13.095 -11.352 -8.240 1.00 1.00 H new ATOM 0 HH22 ARG A 110 12.735 -10.087 -9.419 1.00 1.00 H new ATOM 831 N PRO A 111 7.200 -7.290 -2.797 1.00 1.00 N ATOM 832 CA PRO A 111 5.949 -6.563 -2.637 1.00 1.00 C ATOM 833 C PRO A 111 4.980 -6.917 -3.769 1.00 1.00 C ATOM 834 O PRO A 111 5.369 -7.062 -4.913 1.00 1.00 O ATOM 835 CB PRO A 111 6.351 -5.093 -2.703 1.00 1.00 C ATOM 836 CG PRO A 111 7.678 -5.115 -3.525 1.00 1.00 C ATOM 837 CD PRO A 111 8.359 -6.470 -3.182 1.00 1.00 C ATOM 0 HA PRO A 111 5.437 -6.806 -1.706 1.00 1.00 H new ATOM 0 HB2 PRO A 111 5.586 -4.489 -3.191 1.00 1.00 H new ATOM 0 HB3 PRO A 111 6.502 -4.673 -1.709 1.00 1.00 H new ATOM 0 HG2 PRO A 111 7.479 -5.036 -4.594 1.00 1.00 H new ATOM 0 HG3 PRO A 111 8.319 -4.275 -3.257 1.00 1.00 H new ATOM 0 HD2 PRO A 111 8.893 -6.889 -4.035 1.00 1.00 H new ATOM 0 HD3 PRO A 111 9.081 -6.373 -2.371 1.00 1.00 H new ATOM 838 N TRP A 112 3.718 -7.058 -3.464 1.00 1.00 N ATOM 839 CA TRP A 112 2.740 -7.405 -4.531 1.00 1.00 C ATOM 840 C TRP A 112 1.462 -6.586 -4.365 1.00 1.00 C ATOM 841 O TRP A 112 1.124 -6.154 -3.284 1.00 1.00 O ATOM 842 CB TRP A 112 2.399 -8.890 -4.444 1.00 1.00 C ATOM 843 CG TRP A 112 1.972 -9.200 -3.051 1.00 1.00 C ATOM 844 CD1 TRP A 112 2.712 -9.880 -2.150 1.00 1.00 C ATOM 845 CD2 TRP A 112 0.729 -8.842 -2.382 1.00 1.00 C ATOM 846 NE1 TRP A 112 2.001 -9.967 -0.965 1.00 1.00 N ATOM 847 CE2 TRP A 112 0.771 -9.341 -1.060 1.00 1.00 C ATOM 848 CE3 TRP A 112 -0.421 -8.141 -2.793 1.00 1.00 C ATOM 849 CZ2 TRP A 112 -0.292 -9.148 -0.175 1.00 1.00 C ATOM 850 CZ3 TRP A 112 -1.491 -7.946 -1.907 1.00 1.00 C ATOM 851 CH2 TRP A 112 -1.426 -8.448 -0.600 1.00 1.00 C ATOM 0 H TRP A 112 3.326 -6.949 -2.529 1.00 1.00 H new ATOM 0 HA TRP A 112 3.183 -7.181 -5.501 1.00 1.00 H new ATOM 0 HB2 TRP A 112 1.604 -9.137 -5.147 1.00 1.00 H new ATOM 0 HB3 TRP A 112 3.265 -9.493 -4.717 1.00 1.00 H new ATOM 0 HD1 TRP A 112 3.696 -10.289 -2.325 1.00 1.00 H new ATOM 0 HE1 TRP A 112 2.342 -10.435 -0.125 1.00 1.00 H new ATOM 0 HE3 TRP A 112 -0.480 -7.750 -3.798 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 -0.239 -9.537 0.831 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 -2.368 -7.407 -2.233 1.00 1.00 H new ATOM 0 HH2 TRP A 112 -2.252 -8.294 0.079 1.00 1.00 H new ATOM 852 N CYS A 113 0.743 -6.377 -5.434 1.00 1.00 N ATOM 853 CA CYS A 113 -0.519 -5.593 -5.339 1.00 1.00 C ATOM 854 C CYS A 113 -1.622 -6.304 -6.124 1.00 1.00 C ATOM 855 O CYS A 113 -1.363 -7.011 -7.079 1.00 1.00 O ATOM 856 CB CYS A 113 -0.303 -4.193 -5.921 1.00 1.00 C ATOM 857 SG CYS A 113 -0.116 -4.302 -7.717 1.00 1.00 S ATOM 0 H CYS A 113 0.975 -6.715 -6.368 1.00 1.00 H new ATOM 0 HA CYS A 113 -0.811 -5.508 -4.292 1.00 1.00 H new ATOM 0 HB2 CYS A 113 -1.148 -3.551 -5.672 1.00 1.00 H new ATOM 0 HB3 CYS A 113 0.584 -3.738 -5.480 1.00 1.00 H new ATOM 858 N TYR A 114 -2.852 -6.117 -5.729 1.00 1.00 N ATOM 859 CA TYR A 114 -3.981 -6.770 -6.448 1.00 1.00 C ATOM 860 C TYR A 114 -4.086 -6.175 -7.856 1.00 1.00 C ATOM 861 O TYR A 114 -4.832 -5.245 -8.091 1.00 1.00 O ATOM 862 CB TYR A 114 -5.281 -6.512 -5.678 1.00 1.00 C ATOM 863 CG TYR A 114 -5.365 -7.450 -4.493 1.00 1.00 C ATOM 864 CD1 TYR A 114 -5.164 -8.825 -4.674 1.00 1.00 C ATOM 865 CD2 TYR A 114 -5.645 -6.946 -3.215 1.00 1.00 C ATOM 866 CE1 TYR A 114 -5.242 -9.696 -3.579 1.00 1.00 C ATOM 867 CE2 TYR A 114 -5.723 -7.817 -2.120 1.00 1.00 C ATOM 868 CZ TYR A 114 -5.522 -9.192 -2.302 1.00 1.00 C ATOM 869 OH TYR A 114 -5.599 -10.049 -1.224 1.00 1.00 O ATOM 0 H TYR A 114 -3.124 -5.537 -4.935 1.00 1.00 H new ATOM 0 HA TYR A 114 -3.810 -7.844 -6.519 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -5.315 -5.477 -5.338 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -6.139 -6.660 -6.333 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -4.949 -9.214 -5.658 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -5.801 -5.887 -3.074 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -5.086 -10.755 -3.719 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -5.938 -7.429 -1.135 1.00 1.00 H new ATOM 0 HH TYR A 114 -4.695 -10.266 -0.914 1.00 1.00 H new ATOM 870 N VAL A 115 -3.343 -6.698 -8.798 1.00 1.00 N ATOM 871 CA VAL A 115 -3.412 -6.148 -10.182 1.00 1.00 C ATOM 872 C VAL A 115 -4.263 -7.075 -11.052 1.00 1.00 C ATOM 873 O VAL A 115 -4.130 -8.282 -11.008 1.00 1.00 O ATOM 874 CB VAL A 115 -2.002 -6.024 -10.772 1.00 1.00 C ATOM 875 CG1 VAL A 115 -1.356 -7.403 -10.888 1.00 1.00 C ATOM 876 CG2 VAL A 115 -2.089 -5.388 -12.160 1.00 1.00 C ATOM 0 H VAL A 115 -2.697 -7.476 -8.669 1.00 1.00 H new ATOM 0 HA VAL A 115 -3.866 -5.157 -10.154 1.00 1.00 H new ATOM 0 HB VAL A 115 -1.395 -5.401 -10.115 1.00 1.00 H new ATOM 0 HG11 VAL A 115 -0.355 -7.302 -11.308 1.00 1.00 H new ATOM 0 HG12 VAL A 115 -1.290 -7.858 -9.900 1.00 1.00 H new ATOM 0 HG13 VAL A 115 -1.961 -8.034 -11.539 1.00 1.00 H new ATOM 0 HG21 VAL A 115 -1.088 -5.298 -12.582 1.00 1.00 H new ATOM 0 HG22 VAL A 115 -2.702 -6.013 -12.809 1.00 1.00 H new ATOM 0 HG23 VAL A 115 -2.539 -4.398 -12.079 1.00 1.00 H new ATOM 877 N GLN A 116 -5.148 -6.517 -11.831 1.00 1.00 N ATOM 878 CA GLN A 116 -6.024 -7.356 -12.695 1.00 1.00 C ATOM 879 C GLN A 116 -5.171 -8.274 -13.573 1.00 1.00 C ATOM 880 O GLN A 116 -4.236 -7.844 -14.219 1.00 1.00 O ATOM 881 CB GLN A 116 -6.878 -6.451 -13.583 1.00 1.00 C ATOM 882 CG GLN A 116 -8.359 -6.699 -13.288 1.00 1.00 C ATOM 883 CD GLN A 116 -9.116 -6.892 -14.603 1.00 1.00 C ATOM 884 OE1 GLN A 116 -8.625 -6.540 -15.657 1.00 1.00 O ATOM 885 NE2 GLN A 116 -10.300 -7.441 -14.586 1.00 1.00 N ATOM 0 H GLN A 116 -5.302 -5.512 -11.906 1.00 1.00 H new ATOM 0 HA GLN A 116 -6.669 -7.967 -12.063 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -6.630 -5.405 -13.401 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -6.667 -6.650 -14.634 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.472 -7.581 -12.658 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -8.777 -5.857 -12.736 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -10.712 -7.737 -13.701 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -10.813 -7.574 -15.458 1.00 1.00 H new ATOM 886 N VAL A 117 -5.497 -9.538 -13.607 1.00 1.00 N ATOM 887 CA VAL A 117 -4.720 -10.491 -14.448 1.00 1.00 C ATOM 888 C VAL A 117 -5.647 -11.088 -15.507 1.00 1.00 C ATOM 889 O VAL A 117 -5.483 -12.215 -15.930 1.00 1.00 O ATOM 890 CB VAL A 117 -4.163 -11.612 -13.568 1.00 1.00 C ATOM 891 CG1 VAL A 117 -3.432 -12.632 -14.442 1.00 1.00 C ATOM 892 CG2 VAL A 117 -3.184 -11.020 -12.552 1.00 1.00 C ATOM 0 H VAL A 117 -6.270 -9.952 -13.087 1.00 1.00 H new ATOM 0 HA VAL A 117 -3.894 -9.969 -14.931 1.00 1.00 H new ATOM 0 HB VAL A 117 -4.982 -12.104 -13.044 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -3.035 -13.430 -13.815 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -4.127 -13.053 -15.169 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -2.612 -12.141 -14.966 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -2.786 -11.817 -11.924 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -2.365 -10.530 -13.079 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -3.703 -10.291 -11.929 1.00 1.00 H new ATOM 893 N GLY A 118 -6.626 -10.339 -15.934 1.00 1.00 N ATOM 894 CA GLY A 118 -7.573 -10.858 -16.959 1.00 1.00 C ATOM 895 C GLY A 118 -9.004 -10.701 -16.447 1.00 1.00 C ATOM 896 O GLY A 118 -9.810 -10.003 -17.031 1.00 1.00 O ATOM 0 H GLY A 118 -6.811 -9.388 -15.616 1.00 1.00 H new ATOM 0 HA2 GLY A 118 -7.448 -10.315 -17.895 1.00 1.00 H new ATOM 0 HA3 GLY A 118 -7.362 -11.907 -17.168 1.00 1.00 H new ATOM 897 N LEU A 119 -9.327 -11.344 -15.359 1.00 1.00 N ATOM 898 CA LEU A 119 -10.710 -11.228 -14.811 1.00 1.00 C ATOM 899 C LEU A 119 -10.696 -11.291 -13.276 1.00 1.00 C ATOM 900 O LEU A 119 -11.730 -11.220 -12.642 1.00 1.00 O ATOM 901 CB LEU A 119 -11.587 -12.348 -15.394 1.00 1.00 C ATOM 902 CG LEU A 119 -11.292 -13.691 -14.717 1.00 1.00 C ATOM 903 CD1 LEU A 119 -9.782 -13.887 -14.564 1.00 1.00 C ATOM 904 CD2 LEU A 119 -11.959 -13.721 -13.344 1.00 1.00 C ATOM 0 H LEU A 119 -8.696 -11.943 -14.826 1.00 1.00 H new ATOM 0 HA LEU A 119 -11.126 -10.263 -15.099 1.00 1.00 H new ATOM 0 HB2 LEU A 119 -12.639 -12.095 -15.263 1.00 1.00 H new ATOM 0 HB3 LEU A 119 -11.410 -12.431 -16.466 1.00 1.00 H new ATOM 0 HG LEU A 119 -11.688 -14.498 -15.334 1.00 1.00 H new ATOM 0 HD11 LEU A 119 -9.586 -14.845 -14.082 1.00 1.00 H new ATOM 0 HD12 LEU A 119 -9.312 -13.873 -15.547 1.00 1.00 H new ATOM 0 HD13 LEU A 119 -9.371 -13.083 -13.954 1.00 1.00 H new ATOM 0 HD21 LEU A 119 -11.751 -14.675 -12.859 1.00 1.00 H new ATOM 0 HD22 LEU A 119 -11.567 -12.910 -12.731 1.00 1.00 H new ATOM 0 HD23 LEU A 119 -13.036 -13.600 -13.460 1.00 1.00 H new ATOM 905 N LYS A 120 -9.546 -11.418 -12.667 1.00 1.00 N ATOM 906 CA LYS A 120 -9.497 -11.477 -11.178 1.00 1.00 C ATOM 907 C LYS A 120 -8.204 -10.811 -10.688 1.00 1.00 C ATOM 908 O LYS A 120 -7.125 -11.274 -11.001 1.00 1.00 O ATOM 909 CB LYS A 120 -9.516 -12.940 -10.727 1.00 1.00 C ATOM 910 CG LYS A 120 -8.564 -13.759 -11.601 1.00 1.00 C ATOM 911 CD LYS A 120 -7.494 -14.409 -10.722 1.00 1.00 C ATOM 912 CE LYS A 120 -7.443 -15.912 -11.007 1.00 1.00 C ATOM 913 NZ LYS A 120 -6.844 -16.618 -9.840 1.00 1.00 N ATOM 0 H LYS A 120 -8.642 -11.483 -13.135 1.00 1.00 H new ATOM 0 HA LYS A 120 -10.359 -10.956 -10.762 1.00 1.00 H new ATOM 0 HB2 LYS A 120 -9.219 -13.012 -9.681 1.00 1.00 H new ATOM 0 HB3 LYS A 120 -10.527 -13.340 -10.799 1.00 1.00 H new ATOM 0 HG2 LYS A 120 -9.119 -14.525 -12.143 1.00 1.00 H new ATOM 0 HG3 LYS A 120 -8.096 -13.117 -12.347 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -6.522 -13.957 -10.920 1.00 1.00 H new ATOM 0 HD3 LYS A 120 -7.718 -14.235 -9.670 1.00 1.00 H new ATOM 0 HE2 LYS A 120 -8.447 -16.291 -11.199 1.00 1.00 H new ATOM 0 HE3 LYS A 120 -6.853 -16.103 -11.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 -6.321 -17.453 -10.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -6.194 -15.977 -9.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -7.599 -16.917 -9.190 1.00 1.00 H new ATOM 914 N PRO A 121 -8.339 -9.747 -9.934 1.00 1.00 N ATOM 915 CA PRO A 121 -7.183 -9.037 -9.412 1.00 1.00 C ATOM 916 C PRO A 121 -6.252 -10.018 -8.698 1.00 1.00 C ATOM 917 O PRO A 121 -6.449 -10.348 -7.546 1.00 1.00 O ATOM 918 CB PRO A 121 -7.756 -8.029 -8.423 1.00 1.00 C ATOM 919 CG PRO A 121 -9.229 -7.835 -8.906 1.00 1.00 C ATOM 920 CD PRO A 121 -9.645 -9.187 -9.557 1.00 1.00 C ATOM 0 HA PRO A 121 -6.601 -8.552 -10.195 1.00 1.00 H new ATOM 0 HB2 PRO A 121 -7.716 -8.404 -7.400 1.00 1.00 H new ATOM 0 HB3 PRO A 121 -7.202 -7.091 -8.441 1.00 1.00 H new ATOM 0 HG2 PRO A 121 -9.884 -7.585 -8.071 1.00 1.00 H new ATOM 0 HG3 PRO A 121 -9.301 -7.017 -9.623 1.00 1.00 H new ATOM 0 HD2 PRO A 121 -10.181 -9.830 -8.859 1.00 1.00 H new ATOM 0 HD3 PRO A 121 -10.294 -9.043 -10.421 1.00 1.00 H new ATOM 921 N LEU A 122 -5.240 -10.485 -9.372 1.00 1.00 N ATOM 922 CA LEU A 122 -4.301 -11.443 -8.728 1.00 1.00 C ATOM 923 C LEU A 122 -3.119 -10.666 -8.152 1.00 1.00 C ATOM 924 O LEU A 122 -2.603 -9.756 -8.771 1.00 1.00 O ATOM 925 CB LEU A 122 -3.799 -12.444 -9.771 1.00 1.00 C ATOM 926 CG LEU A 122 -4.337 -13.837 -9.441 1.00 1.00 C ATOM 927 CD1 LEU A 122 -3.839 -14.837 -10.486 1.00 1.00 C ATOM 928 CD2 LEU A 122 -3.841 -14.259 -8.056 1.00 1.00 C ATOM 0 H LEU A 122 -5.023 -10.245 -10.339 1.00 1.00 H new ATOM 0 HA LEU A 122 -4.811 -11.983 -7.930 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -4.125 -12.143 -10.766 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -2.709 -12.457 -9.783 1.00 1.00 H new ATOM 0 HG LEU A 122 -5.427 -13.817 -9.448 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -4.222 -15.830 -10.251 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -4.190 -14.537 -11.473 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -2.749 -14.858 -10.479 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -4.224 -15.252 -7.819 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -2.751 -14.279 -8.050 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -4.194 -13.547 -7.310 1.00 1.00 H new ATOM 929 N VAL A 123 -2.688 -11.008 -6.970 1.00 1.00 N ATOM 930 CA VAL A 123 -1.545 -10.272 -6.369 1.00 1.00 C ATOM 931 C VAL A 123 -0.257 -10.651 -7.102 1.00 1.00 C ATOM 932 O VAL A 123 0.151 -11.796 -7.120 1.00 1.00 O ATOM 933 CB VAL A 123 -1.434 -10.602 -4.869 1.00 1.00 C ATOM 934 CG1 VAL A 123 -2.821 -10.920 -4.312 1.00 1.00 C ATOM 935 CG2 VAL A 123 -0.511 -11.807 -4.646 1.00 1.00 C ATOM 0 H VAL A 123 -3.075 -11.759 -6.399 1.00 1.00 H new ATOM 0 HA VAL A 123 -1.708 -9.199 -6.471 1.00 1.00 H new ATOM 0 HB VAL A 123 -1.015 -9.738 -4.354 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -2.742 -11.154 -3.250 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -3.474 -10.057 -4.446 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -3.238 -11.776 -4.842 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -0.446 -12.023 -3.580 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -0.913 -12.675 -5.169 1.00 1.00 H new ATOM 0 HG23 VAL A 123 0.483 -11.580 -5.031 1.00 1.00 H new ATOM 936 N GLN A 124 0.388 -9.695 -7.700 1.00 1.00 N ATOM 937 CA GLN A 124 1.653 -9.992 -8.423 1.00 1.00 C ATOM 938 C GLN A 124 2.800 -9.313 -7.672 1.00 1.00 C ATOM 939 O GLN A 124 2.605 -8.309 -7.025 1.00 1.00 O ATOM 940 CB GLN A 124 1.537 -9.481 -9.880 1.00 1.00 C ATOM 941 CG GLN A 124 2.426 -8.252 -10.126 1.00 1.00 C ATOM 942 CD GLN A 124 2.015 -7.121 -9.183 1.00 1.00 C ATOM 943 OE1 GLN A 124 2.837 -6.328 -8.773 1.00 1.00 O ATOM 944 NE2 GLN A 124 0.772 -7.024 -8.807 1.00 1.00 N ATOM 0 H GLN A 124 0.095 -8.718 -7.720 1.00 1.00 H new ATOM 0 HA GLN A 124 1.847 -11.064 -8.463 1.00 1.00 H new ATOM 0 HB2 GLN A 124 1.820 -10.278 -10.568 1.00 1.00 H new ATOM 0 HB3 GLN A 124 0.499 -9.228 -10.095 1.00 1.00 H new ATOM 0 HG2 GLN A 124 3.473 -8.510 -9.965 1.00 1.00 H new ATOM 0 HG3 GLN A 124 2.334 -7.926 -11.162 1.00 1.00 H new ATOM 0 HE21 GLN A 124 0.081 -7.691 -9.152 1.00 1.00 H new ATOM 0 HE22 GLN A 124 0.489 -6.281 -8.168 1.00 1.00 H new ATOM 945 N GLU A 125 3.986 -9.842 -7.746 1.00 1.00 N ATOM 946 CA GLU A 125 5.124 -9.203 -7.028 1.00 1.00 C ATOM 947 C GLU A 125 5.559 -7.952 -7.801 1.00 1.00 C ATOM 948 O GLU A 125 6.474 -8.003 -8.597 1.00 1.00 O ATOM 949 CB GLU A 125 6.290 -10.189 -6.952 1.00 1.00 C ATOM 950 CG GLU A 125 5.763 -11.564 -6.539 1.00 1.00 C ATOM 951 CD GLU A 125 6.933 -12.537 -6.386 1.00 1.00 C ATOM 952 OE1 GLU A 125 8.016 -12.207 -6.841 1.00 1.00 O ATOM 953 OE2 GLU A 125 6.727 -13.596 -5.816 1.00 1.00 O ATOM 0 H GLU A 125 4.218 -10.686 -8.270 1.00 1.00 H new ATOM 0 HA GLU A 125 4.820 -8.925 -6.019 1.00 1.00 H new ATOM 0 HB2 GLU A 125 6.790 -10.254 -7.918 1.00 1.00 H new ATOM 0 HB3 GLU A 125 7.031 -9.840 -6.233 1.00 1.00 H new ATOM 0 HG2 GLU A 125 5.215 -11.488 -5.600 1.00 1.00 H new ATOM 0 HG3 GLU A 125 5.063 -11.936 -7.287 1.00 1.00 H new ATOM 954 N CYS A 126 4.900 -6.838 -7.576 1.00 1.00 N ATOM 955 CA CYS A 126 5.252 -5.575 -8.301 1.00 1.00 C ATOM 956 C CYS A 126 6.763 -5.517 -8.544 1.00 1.00 C ATOM 957 O CYS A 126 7.529 -5.172 -7.666 1.00 1.00 O ATOM 958 CB CYS A 126 4.842 -4.362 -7.456 1.00 1.00 C ATOM 959 SG CYS A 126 3.327 -4.728 -6.531 1.00 1.00 S ATOM 0 H CYS A 126 4.128 -6.750 -6.916 1.00 1.00 H new ATOM 0 HA CYS A 126 4.725 -5.559 -9.255 1.00 1.00 H new ATOM 0 HB2 CYS A 126 5.645 -4.102 -6.766 1.00 1.00 H new ATOM 0 HB3 CYS A 126 4.684 -3.497 -8.100 1.00 1.00 H new ATOM 960 N MET A 127 7.197 -5.858 -9.727 1.00 1.00 N ATOM 961 CA MET A 127 8.657 -5.829 -10.028 1.00 1.00 C ATOM 962 C MET A 127 9.280 -4.562 -9.436 1.00 1.00 C ATOM 963 O MET A 127 8.715 -3.489 -9.506 1.00 1.00 O ATOM 964 CB MET A 127 8.865 -5.837 -11.544 1.00 1.00 C ATOM 965 CG MET A 127 8.923 -7.281 -12.044 1.00 1.00 C ATOM 966 SD MET A 127 10.495 -7.562 -12.897 1.00 1.00 S ATOM 967 CE MET A 127 10.101 -6.641 -14.404 1.00 1.00 C ATOM 0 H MET A 127 6.602 -6.156 -10.500 1.00 1.00 H new ATOM 0 HA MET A 127 9.133 -6.706 -9.589 1.00 1.00 H new ATOM 0 HB2 MET A 127 8.052 -5.303 -12.036 1.00 1.00 H new ATOM 0 HB3 MET A 127 9.788 -5.316 -11.798 1.00 1.00 H new ATOM 0 HG2 MET A 127 8.823 -7.971 -11.206 1.00 1.00 H new ATOM 0 HG3 MET A 127 8.090 -7.477 -12.720 1.00 1.00 H new ATOM 0 HE1 MET A 127 10.154 -7.309 -15.263 1.00 1.00 H new ATOM 0 HE2 MET A 127 9.095 -6.229 -14.326 1.00 1.00 H new ATOM 0 HE3 MET A 127 10.816 -5.829 -14.531 1.00 1.00 H new ATOM 968 N VAL A 128 10.442 -4.680 -8.853 1.00 1.00 N ATOM 969 CA VAL A 128 11.101 -3.485 -8.256 1.00 1.00 C ATOM 970 C VAL A 128 12.587 -3.487 -8.621 1.00 1.00 C ATOM 971 O VAL A 128 13.414 -2.966 -7.900 1.00 1.00 O ATOM 972 CB VAL A 128 10.952 -3.528 -6.734 1.00 1.00 C ATOM 973 CG1 VAL A 128 11.839 -4.636 -6.164 1.00 1.00 C ATOM 974 CG2 VAL A 128 11.377 -2.181 -6.143 1.00 1.00 C ATOM 0 H VAL A 128 10.963 -5.553 -8.765 1.00 1.00 H new ATOM 0 HA VAL A 128 10.632 -2.580 -8.643 1.00 1.00 H new ATOM 0 HB VAL A 128 9.912 -3.728 -6.477 1.00 1.00 H new ATOM 0 HG11 VAL A 128 11.732 -4.666 -5.080 1.00 1.00 H new ATOM 0 HG12 VAL A 128 11.538 -5.595 -6.585 1.00 1.00 H new ATOM 0 HG13 VAL A 128 12.880 -4.437 -6.421 1.00 1.00 H new ATOM 0 HG21 VAL A 128 11.271 -2.210 -5.059 1.00 1.00 H new ATOM 0 HG22 VAL A 128 12.417 -1.982 -6.401 1.00 1.00 H new ATOM 0 HG23 VAL A 128 10.745 -1.390 -6.548 1.00 1.00 H new ATOM 975 N HIS A 129 12.933 -4.069 -9.737 1.00 1.00 N ATOM 976 CA HIS A 129 14.366 -4.103 -10.146 1.00 1.00 C ATOM 977 C HIS A 129 14.783 -2.724 -10.662 1.00 1.00 C ATOM 978 O HIS A 129 14.249 -1.711 -10.256 1.00 1.00 O ATOM 979 CB HIS A 129 14.555 -5.140 -11.255 1.00 1.00 C ATOM 980 CG HIS A 129 15.914 -5.772 -11.124 1.00 1.00 C ATOM 981 ND1 HIS A 129 16.588 -6.308 -12.210 1.00 1.00 N ATOM 982 CD2 HIS A 129 16.738 -5.960 -10.041 1.00 1.00 C ATOM 983 CE1 HIS A 129 17.762 -6.789 -11.761 1.00 1.00 C ATOM 984 NE2 HIS A 129 17.904 -6.602 -10.446 1.00 1.00 N ATOM 0 H HIS A 129 12.286 -4.522 -10.383 1.00 1.00 H new ATOM 0 HA HIS A 129 14.982 -4.371 -9.288 1.00 1.00 H new ATOM 0 HB2 HIS A 129 13.779 -5.903 -11.190 1.00 1.00 H new ATOM 0 HB3 HIS A 129 14.455 -4.666 -12.232 1.00 1.00 H new ATOM 0 HD2 HIS A 129 16.515 -5.656 -9.029 1.00 1.00 H new ATOM 0 HE1 HIS A 129 18.500 -7.268 -12.388 1.00 1.00 H new ATOM 0 HE2 HIS A 129 18.697 -6.872 -9.864 1.00 1.00 H new ATOM 985 N ASP A 130 15.736 -2.677 -11.553 1.00 1.00 N ATOM 986 CA ASP A 130 16.187 -1.364 -12.093 1.00 1.00 C ATOM 987 C ASP A 130 17.061 -0.659 -11.054 1.00 1.00 C ATOM 988 O ASP A 130 16.683 0.349 -10.491 1.00 1.00 O ATOM 989 CB ASP A 130 14.968 -0.495 -12.408 1.00 1.00 C ATOM 990 CG ASP A 130 15.076 0.039 -13.838 1.00 1.00 C ATOM 991 OD1 ASP A 130 16.182 0.341 -14.254 1.00 1.00 O ATOM 992 OD2 ASP A 130 14.051 0.136 -14.492 1.00 1.00 O ATOM 0 H ASP A 130 16.221 -3.491 -11.930 1.00 1.00 H new ATOM 0 HA ASP A 130 16.763 -1.525 -13.004 1.00 1.00 H new ATOM 0 HB2 ASP A 130 14.054 -1.078 -12.294 1.00 1.00 H new ATOM 0 HB3 ASP A 130 14.907 0.334 -11.703 1.00 1.00 H new ATOM 993 N CYS A 131 18.228 -1.182 -10.793 1.00 1.00 N ATOM 994 CA CYS A 131 19.124 -0.542 -9.790 1.00 1.00 C ATOM 995 C CYS A 131 20.378 -0.013 -10.490 1.00 1.00 C ATOM 996 O CYS A 131 20.418 0.120 -11.696 1.00 1.00 O ATOM 997 CB CYS A 131 19.527 -1.574 -8.734 1.00 1.00 C ATOM 998 SG CYS A 131 19.098 -0.951 -7.089 1.00 1.00 S ATOM 0 H CYS A 131 18.599 -2.025 -11.231 1.00 1.00 H new ATOM 0 HA CYS A 131 18.600 0.284 -9.310 1.00 1.00 H new ATOM 0 HB2 CYS A 131 19.018 -2.520 -8.921 1.00 1.00 H new ATOM 0 HB3 CYS A 131 20.597 -1.771 -8.792 1.00 1.00 H new ATOM 999 N ALA A 132 21.403 0.290 -9.741 1.00 1.00 N ATOM 1000 CA ALA A 132 22.653 0.810 -10.364 1.00 1.00 C ATOM 1001 C ALA A 132 23.788 -0.192 -10.144 1.00 1.00 C ATOM 1002 O ALA A 132 24.470 -0.161 -9.139 1.00 1.00 O ATOM 1003 CB ALA A 132 23.023 2.149 -9.722 1.00 1.00 C ATOM 0 H ALA A 132 21.429 0.200 -8.725 1.00 1.00 H new ATOM 0 HA ALA A 132 22.495 0.950 -11.433 1.00 1.00 H new ATOM 0 HB1 ALA A 132 23.937 2.530 -10.177 1.00 1.00 H new ATOM 0 HB2 ALA A 132 22.215 2.863 -9.878 1.00 1.00 H new ATOM 0 HB3 ALA A 132 23.181 2.008 -8.653 1.00 1.00 H new ATOM 1004 N ASP A 133 23.995 -1.082 -11.076 1.00 1.00 N ATOM 1005 CA ASP A 133 25.087 -2.084 -10.918 1.00 1.00 C ATOM 1006 C ASP A 133 24.690 -3.106 -9.851 1.00 1.00 C ATOM 1007 O ASP A 133 25.321 -3.217 -8.819 1.00 1.00 O ATOM 1008 CB ASP A 133 26.374 -1.375 -10.491 1.00 1.00 C ATOM 1009 CG ASP A 133 27.479 -1.665 -11.509 1.00 1.00 C ATOM 1010 OD1 ASP A 133 27.148 -2.014 -12.630 1.00 1.00 O ATOM 1011 OD2 ASP A 133 28.637 -1.533 -11.149 1.00 1.00 O ATOM 0 H ASP A 133 23.456 -1.159 -11.939 1.00 1.00 H new ATOM 0 HA ASP A 133 25.252 -2.594 -11.867 1.00 1.00 H new ATOM 0 HB2 ASP A 133 26.203 -0.301 -10.420 1.00 1.00 H new ATOM 0 HB3 ASP A 133 26.678 -1.716 -9.501 1.00 1.00 H new ATOM 1012 N GLY A 134 23.647 -3.854 -10.091 1.00 1.00 N ATOM 1013 CA GLY A 134 23.211 -4.867 -9.089 1.00 1.00 C ATOM 1014 C GLY A 134 23.513 -6.271 -9.616 1.00 1.00 C ATOM 1015 O GLY A 134 22.904 -7.241 -9.211 1.00 1.00 O ATOM 0 H GLY A 134 23.079 -3.807 -10.937 1.00 1.00 H new ATOM 0 HA2 GLY A 134 23.727 -4.704 -8.143 1.00 1.00 H new ATOM 0 HA3 GLY A 134 22.144 -4.763 -8.892 1.00 1.00 H new ATOM 1016 N LYS A 135 24.450 -6.388 -10.517 1.00 1.00 N ATOM 1017 CA LYS A 135 24.789 -7.730 -11.069 1.00 1.00 C ATOM 1018 C LYS A 135 25.959 -7.599 -12.047 1.00 1.00 C ATOM 1019 O LYS A 135 26.883 -8.388 -11.943 1.00 1.00 O ATOM 1020 CB LYS A 135 23.574 -8.303 -11.801 1.00 1.00 C ATOM 1021 CG LYS A 135 23.887 -9.723 -12.277 1.00 1.00 C ATOM 1022 CD LYS A 135 23.219 -9.966 -13.632 1.00 1.00 C ATOM 1023 CE LYS A 135 22.048 -10.934 -13.458 1.00 1.00 C ATOM 1024 NZ LYS A 135 22.568 -12.288 -13.118 1.00 1.00 N ATOM 1025 OXT LYS A 135 25.910 -6.711 -12.882 1.00 1.00 O ATOM 0 H LYS A 135 24.995 -5.613 -10.894 1.00 1.00 H new ATOM 0 HA LYS A 135 25.070 -8.397 -10.254 1.00 1.00 H new ATOM 0 HB2 LYS A 135 22.708 -8.313 -11.139 1.00 1.00 H new ATOM 0 HB3 LYS A 135 23.317 -7.671 -12.651 1.00 1.00 H new ATOM 0 HG2 LYS A 135 24.965 -9.860 -12.361 1.00 1.00 H new ATOM 0 HG3 LYS A 135 23.529 -10.450 -11.548 1.00 1.00 H new ATOM 0 HD2 LYS A 135 22.866 -9.023 -14.050 1.00 1.00 H new ATOM 0 HD3 LYS A 135 23.942 -10.376 -14.337 1.00 1.00 H new ATOM 0 HE2 LYS A 135 21.384 -10.580 -12.670 1.00 1.00 H new ATOM 0 HE3 LYS A 135 21.460 -10.978 -14.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 135 21.891 -13.010 -13.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 135 23.482 -12.438 -13.591 1.00 1.00 H new ATOM 0 HZ3 LYS A 135 22.694 -12.363 -12.088 1.00 1.00 H new TER 1026 LYS A 135 HETATM 1027 C1 FUC A 136 26.347 23.536 2.305 1.00 1.00 C HETATM 1028 C2 FUC A 136 26.448 22.726 3.596 1.00 1.00 C HETATM 1029 C3 FUC A 136 27.680 21.833 3.540 1.00 1.00 C HETATM 1030 C4 FUC A 136 28.904 22.706 3.303 1.00 1.00 C HETATM 1031 C5 FUC A 136 28.709 23.498 2.016 1.00 1.00 C HETATM 1032 C6 FUC A 136 29.876 24.413 1.704 1.00 1.00 C HETATM 1033 O2 FUC A 136 25.279 21.937 3.766 1.00 1.00 O HETATM 1034 O3 FUC A 136 27.818 21.123 4.762 1.00 1.00 O HETATM 1035 O4 FUC A 136 29.063 23.604 4.392 1.00 1.00 O HETATM 1036 O5 FUC A 136 27.530 24.320 2.122 1.00 1.00 O HETATM 0 HO4 FUC A 136 28.593 24.441 4.197 1.00 1.00 H new HETATM 0 HO3 FUC A 136 28.260 21.695 5.424 1.00 1.00 H new HETATM 0 HO2 FUC A 136 25.534 21.018 3.990 1.00 1.00 H new HETATM 0 H63 FUC A 136 30.005 25.128 2.517 1.00 1.00 H new HETATM 0 H62 FUC A 136 30.784 23.820 1.594 1.00 1.00 H new HETATM 0 H61 FUC A 136 29.679 24.950 0.776 1.00 1.00 H new HETATM 0 H5 FUC A 136 28.619 22.763 1.216 1.00 1.00 H new HETATM 0 H4 FUC A 136 29.792 22.080 3.219 1.00 1.00 H new HETATM 0 H3 FUC A 136 27.579 21.111 2.729 1.00 1.00 H new HETATM 0 H2 FUC A 136 26.537 23.406 4.443 1.00 1.00 H new