USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 622 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 46 THR OG1 : rot -78:sc= 0.00799 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.406 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.55 X(o=-1.8,f=-1.7) USER MOD Set 2.2: A 19 MET CE :methyl 143:sc= -0.228 (180deg=-1.23) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0596 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.352 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 12 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.71) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0324 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -12:sc= 0.607 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.96! C(o=-3!,f=-2.9!) USER MOD Single : A 27 TYR OH : rot 90:sc= -1.33 USER MOD Single : A 29 CYS SG : rot 34:sc= 0.148 USER MOD Single : A 32 SER OG : rot -110:sc= 0.0027 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-3.9) USER MOD Single : A 40 THR OG1 : rot 33:sc= 0.453 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -150:sc= -0.635 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -105:sc= -2.06! USER MOD Single : A 58 SER OG : rot 83:sc= 0.922 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.144) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.5! C(o=-7.5!,f=-8!) USER MOD Single : A 72 ASN : amide:sc=-0.00312 X(o=-0.0031,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -3.57! C(o=-3.6!,f=-6!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.684 14.409 -4.201 1.00 0.00 N ATOM 2 CA GLY A 1 -25.737 13.418 -4.076 1.00 0.00 C ATOM 3 C GLY A 1 -25.784 12.470 -5.258 1.00 0.00 C ATOM 4 O GLY A 1 -25.156 12.718 -6.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.015 14.306 -3.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.182 14.270 -5.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.100 15.362 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.586 12.846 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.698 13.923 -3.981 1.00 0.00 H new ATOM 8 N SER A 2 -26.528 11.379 -5.111 1.00 0.00 N ATOM 9 CA SER A 2 -26.650 10.387 -6.173 1.00 0.00 C ATOM 10 C SER A 2 -27.750 9.379 -5.852 1.00 0.00 C ATOM 11 O SER A 2 -28.023 9.092 -4.686 1.00 0.00 O ATOM 12 CB SER A 2 -25.320 9.659 -6.375 1.00 0.00 C ATOM 13 OG SER A 2 -25.254 9.064 -7.659 1.00 0.00 O ATOM 0 H SER A 2 -27.056 11.159 -4.266 1.00 0.00 H new ATOM 0 HA SER A 2 -26.915 10.908 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.495 10.361 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.201 8.893 -5.609 1.00 0.00 H new ATOM 0 HG SER A 2 -24.394 8.607 -7.764 1.00 0.00 H new ATOM 19 N SER A 3 -28.378 8.846 -6.895 1.00 0.00 N ATOM 20 CA SER A 3 -29.451 7.873 -6.725 1.00 0.00 C ATOM 21 C SER A 3 -28.979 6.472 -7.101 1.00 0.00 C ATOM 22 O SER A 3 -28.475 6.249 -8.201 1.00 0.00 O ATOM 23 CB SER A 3 -30.660 8.262 -7.579 1.00 0.00 C ATOM 24 OG SER A 3 -30.329 8.275 -8.956 1.00 0.00 O ATOM 0 H SER A 3 -28.163 9.071 -7.866 1.00 0.00 H new ATOM 0 HA SER A 3 -29.742 7.870 -5.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.474 7.558 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.019 9.246 -7.279 1.00 0.00 H new ATOM 0 HG SER A 3 -29.549 7.703 -9.110 1.00 0.00 H new ATOM 30 N GLY A 4 -29.145 5.530 -6.178 1.00 0.00 N ATOM 31 CA GLY A 4 -28.731 4.162 -6.430 1.00 0.00 C ATOM 32 C GLY A 4 -27.462 3.795 -5.687 1.00 0.00 C ATOM 33 O GLY A 4 -27.514 3.200 -4.611 1.00 0.00 O ATOM 0 H GLY A 4 -29.559 5.690 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.531 3.483 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.575 4.024 -7.500 1.00 0.00 H new ATOM 37 N SER A 5 -26.317 4.148 -6.264 1.00 0.00 N ATOM 38 CA SER A 5 -25.028 3.847 -5.653 1.00 0.00 C ATOM 39 C SER A 5 -24.662 4.900 -4.611 1.00 0.00 C ATOM 40 O SER A 5 -24.553 6.086 -4.923 1.00 0.00 O ATOM 41 CB SER A 5 -23.938 3.771 -6.723 1.00 0.00 C ATOM 42 OG SER A 5 -24.294 2.862 -7.751 1.00 0.00 O ATOM 0 H SER A 5 -26.256 4.643 -7.154 1.00 0.00 H new ATOM 0 HA SER A 5 -25.106 2.880 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.773 4.760 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.998 3.460 -6.267 1.00 0.00 H new ATOM 0 HG SER A 5 -23.582 2.833 -8.423 1.00 0.00 H new ATOM 48 N SER A 6 -24.472 4.457 -3.373 1.00 0.00 N ATOM 49 CA SER A 6 -24.122 5.360 -2.283 1.00 0.00 C ATOM 50 C SER A 6 -22.626 5.300 -1.987 1.00 0.00 C ATOM 51 O SER A 6 -22.184 4.557 -1.111 1.00 0.00 O ATOM 52 CB SER A 6 -24.916 5.007 -1.024 1.00 0.00 C ATOM 53 OG SER A 6 -26.310 5.135 -1.248 1.00 0.00 O ATOM 0 H SER A 6 -24.555 3.478 -3.099 1.00 0.00 H new ATOM 0 HA SER A 6 -24.374 6.375 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.686 3.986 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.615 5.660 -0.205 1.00 0.00 H new ATOM 0 HG SER A 6 -26.796 4.902 -0.429 1.00 0.00 H new ATOM 59 N GLY A 7 -21.851 6.087 -2.726 1.00 0.00 N ATOM 60 CA GLY A 7 -20.413 6.109 -2.529 1.00 0.00 C ATOM 61 C GLY A 7 -19.649 5.805 -3.802 1.00 0.00 C ATOM 62 O GLY A 7 -18.957 4.790 -3.893 1.00 0.00 O ATOM 0 H GLY A 7 -22.193 6.710 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.115 7.089 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.143 5.381 -1.764 1.00 0.00 H new ATOM 66 N LYS A 8 -19.774 6.684 -4.790 1.00 0.00 N ATOM 67 CA LYS A 8 -19.090 6.505 -6.066 1.00 0.00 C ATOM 68 C LYS A 8 -17.606 6.224 -5.853 1.00 0.00 C ATOM 69 O LYS A 8 -16.963 6.838 -5.001 1.00 0.00 O ATOM 70 CB LYS A 8 -19.264 7.750 -6.940 1.00 0.00 C ATOM 71 CG LYS A 8 -20.642 7.864 -7.568 1.00 0.00 C ATOM 72 CD LYS A 8 -20.739 7.056 -8.851 1.00 0.00 C ATOM 73 CE LYS A 8 -22.173 6.639 -9.140 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.340 6.160 -10.540 1.00 0.00 N ATOM 0 H LYS A 8 -20.343 7.528 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.535 5.648 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.075 8.637 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.514 7.737 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.395 7.517 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.861 8.911 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.356 7.646 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.110 6.169 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.468 5.850 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.839 7.483 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.331 5.885 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.083 6.921 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.723 5.338 -10.702 1.00 0.00 H new ATOM 88 N THR A 9 -17.067 5.293 -6.634 1.00 0.00 N ATOM 89 CA THR A 9 -15.659 4.931 -6.531 1.00 0.00 C ATOM 90 C THR A 9 -14.763 6.064 -7.019 1.00 0.00 C ATOM 91 O THR A 9 -15.160 6.893 -7.838 1.00 0.00 O ATOM 92 CB THR A 9 -15.345 3.658 -7.340 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.946 4.009 -8.669 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.557 2.740 -7.394 1.00 0.00 C ATOM 0 H THR A 9 -17.585 4.776 -7.345 1.00 0.00 H new ATOM 0 HA THR A 9 -15.458 4.741 -5.477 1.00 0.00 H new ATOM 0 HB THR A 9 -14.530 3.130 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.747 3.195 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.312 1.848 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.841 2.452 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.388 3.262 -7.869 1.00 0.00 H new ATOM 102 N PRO A 10 -13.523 6.101 -6.508 1.00 0.00 N ATOM 103 CA PRO A 10 -12.544 7.127 -6.880 1.00 0.00 C ATOM 104 C PRO A 10 -12.053 6.967 -8.314 1.00 0.00 C ATOM 105 O PRO A 10 -11.423 7.868 -8.868 1.00 0.00 O ATOM 106 CB PRO A 10 -11.397 6.897 -5.893 1.00 0.00 C ATOM 107 CG PRO A 10 -11.512 5.463 -5.506 1.00 0.00 C ATOM 108 CD PRO A 10 -12.982 5.144 -5.528 1.00 0.00 C ATOM 0 HA PRO A 10 -12.968 8.130 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.431 7.107 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.485 7.550 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.964 4.826 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.090 5.291 -4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.165 4.113 -5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.436 5.274 -4.546 1.00 0.00 H new ATOM 116 N ILE A 11 -12.346 5.816 -8.910 1.00 0.00 N ATOM 117 CA ILE A 11 -11.935 5.540 -10.281 1.00 0.00 C ATOM 118 C ILE A 11 -12.994 6.002 -11.276 1.00 0.00 C ATOM 119 O ILE A 11 -12.672 6.444 -12.379 1.00 0.00 O ATOM 120 CB ILE A 11 -11.665 4.039 -10.496 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.606 3.543 -9.510 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.225 3.781 -11.929 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.199 3.964 -9.871 1.00 0.00 C ATOM 0 H ILE A 11 -12.866 5.060 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.013 6.095 -10.452 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.588 3.489 -10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.844 3.918 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.649 2.455 -9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.038 2.716 -12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.010 4.103 -12.614 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.312 4.339 -12.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.502 3.577 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.941 3.567 -10.853 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.139 5.052 -9.893 1.00 0.00 H new ATOM 135 N GLN A 12 -14.258 5.899 -10.878 1.00 0.00 N ATOM 136 CA GLN A 12 -15.365 6.308 -11.734 1.00 0.00 C ATOM 137 C GLN A 12 -15.545 7.822 -11.706 1.00 0.00 C ATOM 138 O GLN A 12 -15.778 8.450 -12.739 1.00 0.00 O ATOM 139 CB GLN A 12 -16.658 5.620 -11.295 1.00 0.00 C ATOM 140 CG GLN A 12 -16.793 4.195 -11.806 1.00 0.00 C ATOM 141 CD GLN A 12 -16.313 4.039 -13.235 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.990 4.448 -14.178 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.137 3.444 -13.403 1.00 0.00 N ATOM 0 H GLN A 12 -14.541 5.536 -9.968 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.131 6.008 -12.755 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.704 5.612 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.508 6.205 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.223 3.526 -11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.837 3.888 -11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.609 3.120 -12.593 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.762 3.311 -14.342 1.00 0.00 H new ATOM 152 N VAL A 13 -15.435 8.404 -10.515 1.00 0.00 N ATOM 153 CA VAL A 13 -15.585 9.845 -10.352 1.00 0.00 C ATOM 154 C VAL A 13 -14.489 10.599 -11.095 1.00 0.00 C ATOM 155 O VAL A 13 -14.766 11.380 -12.007 1.00 0.00 O ATOM 156 CB VAL A 13 -15.553 10.247 -8.866 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.589 11.761 -8.721 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.709 9.604 -8.115 1.00 0.00 C ATOM 0 H VAL A 13 -15.243 7.899 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.554 10.112 -10.773 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.621 9.886 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.566 12.026 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.724 12.195 -9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.503 12.148 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.671 9.899 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.653 9.932 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.633 8.519 -8.190 1.00 0.00 H new ATOM 168 N LEU A 14 -13.243 10.361 -10.701 1.00 0.00 N ATOM 169 CA LEU A 14 -12.103 11.018 -11.331 1.00 0.00 C ATOM 170 C LEU A 14 -12.243 11.015 -12.850 1.00 0.00 C ATOM 171 O LEU A 14 -12.387 12.067 -13.472 1.00 0.00 O ATOM 172 CB LEU A 14 -10.801 10.323 -10.926 1.00 0.00 C ATOM 173 CG LEU A 14 -9.559 11.211 -10.859 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.297 10.363 -10.826 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.526 12.173 -12.037 1.00 0.00 C ATOM 0 H LEU A 14 -12.996 9.718 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.077 12.053 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.947 9.863 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.608 9.516 -11.633 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.604 11.795 -9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.423 11.013 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.316 9.716 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.246 9.752 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.635 12.797 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.506 11.607 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.414 12.805 -12.016 1.00 0.00 H new ATOM 187 N HIS A 15 -12.202 9.825 -13.440 1.00 0.00 N ATOM 188 CA HIS A 15 -12.327 9.684 -14.887 1.00 0.00 C ATOM 189 C HIS A 15 -13.552 10.435 -15.401 1.00 0.00 C ATOM 190 O HIS A 15 -13.427 11.470 -16.055 1.00 0.00 O ATOM 191 CB HIS A 15 -12.421 8.207 -15.271 1.00 0.00 C ATOM 192 CG HIS A 15 -12.479 7.975 -16.749 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.409 8.203 -17.589 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.486 7.532 -17.537 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.756 7.911 -18.830 1.00 0.00 C ATOM 196 NE2 HIS A 15 -13.012 7.501 -18.826 1.00 0.00 N ATOM 0 H HIS A 15 -12.083 8.944 -12.939 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.438 10.115 -15.348 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.560 7.678 -14.862 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.309 7.776 -14.809 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.478 7.254 -17.213 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.121 7.993 -19.700 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.543 7.209 -19.646 1.00 0.00 H new ATOM 204 N GLU A 16 -14.734 9.905 -15.102 1.00 0.00 N ATOM 205 CA GLU A 16 -15.980 10.525 -15.536 1.00 0.00 C ATOM 206 C GLU A 16 -15.889 12.046 -15.453 1.00 0.00 C ATOM 207 O GLU A 16 -16.393 12.758 -16.322 1.00 0.00 O ATOM 208 CB GLU A 16 -17.148 10.026 -14.683 1.00 0.00 C ATOM 209 CG GLU A 16 -17.528 8.581 -14.957 1.00 0.00 C ATOM 210 CD GLU A 16 -18.768 8.149 -14.199 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.860 8.673 -14.502 1.00 0.00 O ATOM 212 OE2 GLU A 16 -18.647 7.289 -13.302 1.00 0.00 O ATOM 0 H GLU A 16 -14.855 9.048 -14.561 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.152 10.245 -16.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.888 10.131 -13.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.015 10.661 -14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.696 8.450 -16.026 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.696 7.932 -14.684 1.00 0.00 H new ATOM 219 N TYR A 17 -15.243 12.538 -14.401 1.00 0.00 N ATOM 220 CA TYR A 17 -15.088 13.974 -14.202 1.00 0.00 C ATOM 221 C TYR A 17 -14.175 14.576 -15.266 1.00 0.00 C ATOM 222 O TYR A 17 -14.576 15.468 -16.012 1.00 0.00 O ATOM 223 CB TYR A 17 -14.523 14.258 -12.809 1.00 0.00 C ATOM 224 CG TYR A 17 -13.832 15.599 -12.698 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.566 16.776 -12.621 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.446 15.688 -12.669 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.939 18.003 -12.521 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.811 16.910 -12.567 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.561 18.065 -12.494 1.00 0.00 C ATOM 230 OH TYR A 17 -11.933 19.285 -12.392 1.00 0.00 O ATOM 0 H TYR A 17 -14.818 11.963 -13.673 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.071 14.436 -14.290 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.334 14.215 -12.082 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.816 13.471 -12.545 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.645 16.731 -12.640 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.855 14.786 -12.727 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.524 18.909 -12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.732 16.961 -12.545 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.962 19.153 -12.385 1.00 0.00 H new ATOM 240 N GLY A 18 -12.943 14.079 -15.329 1.00 0.00 N ATOM 241 CA GLY A 18 -11.991 14.579 -16.305 1.00 0.00 C ATOM 242 C GLY A 18 -12.653 14.975 -17.610 1.00 0.00 C ATOM 243 O GLY A 18 -12.228 15.926 -18.265 1.00 0.00 O ATOM 0 H GLY A 18 -12.587 13.340 -14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.469 15.441 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.239 13.814 -16.500 1.00 0.00 H new ATOM 247 N MET A 19 -13.694 14.242 -17.990 1.00 0.00 N ATOM 248 CA MET A 19 -14.415 14.523 -19.226 1.00 0.00 C ATOM 249 C MET A 19 -14.845 15.985 -19.285 1.00 0.00 C ATOM 250 O MET A 19 -14.504 16.706 -20.223 1.00 0.00 O ATOM 251 CB MET A 19 -15.640 13.613 -19.345 1.00 0.00 C ATOM 252 CG MET A 19 -15.291 12.145 -19.525 1.00 0.00 C ATOM 253 SD MET A 19 -16.745 11.078 -19.504 1.00 0.00 S ATOM 254 CE MET A 19 -15.991 9.484 -19.190 1.00 0.00 C ATOM 0 H MET A 19 -14.057 13.450 -17.460 1.00 0.00 H new ATOM 0 HA MET A 19 -13.743 14.327 -20.062 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.254 13.725 -18.451 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.245 13.941 -20.190 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.763 12.014 -20.469 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.608 11.838 -18.733 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.637 8.899 -18.536 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.854 8.954 -20.133 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.023 9.628 -18.710 1.00 0.00 H new ATOM 264 N LYS A 20 -15.597 16.417 -18.278 1.00 0.00 N ATOM 265 CA LYS A 20 -16.074 17.793 -18.214 1.00 0.00 C ATOM 266 C LYS A 20 -14.950 18.774 -18.535 1.00 0.00 C ATOM 267 O LYS A 20 -15.122 19.690 -19.340 1.00 0.00 O ATOM 268 CB LYS A 20 -16.645 18.093 -16.826 1.00 0.00 C ATOM 269 CG LYS A 20 -18.130 17.802 -16.704 1.00 0.00 C ATOM 270 CD LYS A 20 -18.384 16.360 -16.296 1.00 0.00 C ATOM 271 CE LYS A 20 -18.149 16.151 -14.808 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.773 14.891 -14.320 1.00 0.00 N ATOM 0 H LYS A 20 -15.889 15.833 -17.494 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.861 17.913 -18.958 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.106 17.503 -16.085 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.468 19.142 -16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.574 18.473 -15.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.621 18.004 -17.656 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.409 16.086 -16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.730 15.699 -16.865 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.078 16.126 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.556 16.996 -14.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.590 14.785 -13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.799 14.925 -14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.366 14.082 -14.831 1.00 0.00 H new ATOM 286 N THR A 21 -13.798 18.575 -17.902 1.00 0.00 N ATOM 287 CA THR A 21 -12.646 19.441 -18.121 1.00 0.00 C ATOM 288 C THR A 21 -11.855 19.003 -19.348 1.00 0.00 C ATOM 289 O THR A 21 -10.644 19.211 -19.425 1.00 0.00 O ATOM 290 CB THR A 21 -11.711 19.452 -16.897 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.200 18.135 -16.660 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.444 19.948 -15.660 1.00 0.00 C ATOM 0 H THR A 21 -13.638 17.821 -17.233 1.00 0.00 H new ATOM 0 HA THR A 21 -13.032 20.447 -18.282 1.00 0.00 H new ATOM 0 HB THR A 21 -10.884 20.130 -17.105 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.702 17.488 -17.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.763 19.947 -14.809 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.806 20.961 -15.834 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.289 19.292 -15.450 1.00 0.00 H new ATOM 300 N LYS A 22 -12.546 18.396 -20.307 1.00 0.00 N ATOM 301 CA LYS A 22 -11.908 17.930 -21.532 1.00 0.00 C ATOM 302 C LYS A 22 -10.528 17.349 -21.241 1.00 0.00 C ATOM 303 O LYS A 22 -9.644 17.365 -22.096 1.00 0.00 O ATOM 304 CB LYS A 22 -11.788 19.077 -22.537 1.00 0.00 C ATOM 305 CG LYS A 22 -13.116 19.735 -22.871 1.00 0.00 C ATOM 306 CD LYS A 22 -13.996 18.821 -23.708 1.00 0.00 C ATOM 307 CE LYS A 22 -15.118 19.594 -24.384 1.00 0.00 C ATOM 308 NZ LYS A 22 -16.033 18.695 -25.141 1.00 0.00 N ATOM 0 H LYS A 22 -13.549 18.215 -20.259 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.531 17.144 -21.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.109 19.830 -22.137 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.338 18.699 -23.455 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.635 19.997 -21.949 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.937 20.664 -23.412 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.389 18.322 -24.464 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.420 18.042 -23.074 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.687 20.141 -23.632 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.692 20.334 -25.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.784 19.260 -25.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.496 18.192 -25.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.459 18.005 -24.490 1.00 0.00 H new ATOM 322 N ASN A 23 -10.351 16.837 -20.027 1.00 0.00 N ATOM 323 CA ASN A 23 -9.078 16.250 -19.624 1.00 0.00 C ATOM 324 C ASN A 23 -9.294 14.918 -18.912 1.00 0.00 C ATOM 325 O ASN A 23 -9.840 14.874 -17.809 1.00 0.00 O ATOM 326 CB ASN A 23 -8.316 17.212 -18.709 1.00 0.00 C ATOM 327 CG ASN A 23 -8.069 18.558 -19.363 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.728 18.633 -20.544 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.240 19.628 -18.597 1.00 0.00 N ATOM 0 H ASN A 23 -11.072 16.817 -19.306 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.489 16.070 -20.523 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.880 17.357 -17.788 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.361 16.765 -18.431 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.088 20.560 -18.982 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.523 19.518 -17.623 1.00 0.00 H new ATOM 336 N ILE A 24 -8.862 13.836 -19.550 1.00 0.00 N ATOM 337 CA ILE A 24 -9.006 12.503 -18.977 1.00 0.00 C ATOM 338 C ILE A 24 -7.764 12.107 -18.187 1.00 0.00 C ATOM 339 O ILE A 24 -6.630 12.330 -18.612 1.00 0.00 O ATOM 340 CB ILE A 24 -9.266 11.447 -20.067 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.443 11.871 -20.949 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.532 10.089 -19.436 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.711 12.148 -20.171 1.00 0.00 C ATOM 0 H ILE A 24 -8.409 13.856 -20.464 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.864 12.539 -18.306 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.378 11.367 -20.694 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.165 12.766 -21.506 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.639 11.087 -21.681 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.714 9.353 -20.219 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.666 9.786 -18.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.407 10.154 -18.789 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.503 12.443 -20.859 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.013 11.248 -19.635 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.532 12.952 -19.458 1.00 0.00 H new ATOM 355 N PRO A 25 -7.979 11.503 -17.009 1.00 0.00 N ATOM 356 CA PRO A 25 -6.889 11.060 -16.135 1.00 0.00 C ATOM 357 C PRO A 25 -6.127 9.873 -16.715 1.00 0.00 C ATOM 358 O PRO A 25 -6.680 8.785 -16.876 1.00 0.00 O ATOM 359 CB PRO A 25 -7.609 10.654 -14.847 1.00 0.00 C ATOM 360 CG PRO A 25 -8.990 10.301 -15.280 1.00 0.00 C ATOM 361 CD PRO A 25 -9.304 11.205 -16.440 1.00 0.00 C ATOM 0 HA PRO A 25 -6.139 11.838 -15.993 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.116 9.808 -14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.617 11.470 -14.124 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.051 9.253 -15.574 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.703 10.446 -14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.952 10.716 -17.167 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.815 12.111 -16.116 1.00 0.00 H new ATOM 369 N VAL A 26 -4.853 10.089 -17.028 1.00 0.00 N ATOM 370 CA VAL A 26 -4.014 9.037 -17.589 1.00 0.00 C ATOM 371 C VAL A 26 -3.453 8.138 -16.493 1.00 0.00 C ATOM 372 O VAL A 26 -3.201 8.589 -15.375 1.00 0.00 O ATOM 373 CB VAL A 26 -2.847 9.624 -18.404 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.358 10.637 -19.417 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.817 10.257 -17.479 1.00 0.00 C ATOM 0 H VAL A 26 -4.379 10.984 -16.902 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.648 8.446 -18.250 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.364 8.813 -18.949 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.519 11.041 -19.983 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.055 10.150 -20.099 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.867 11.448 -18.896 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.999 10.667 -18.072 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.286 11.057 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.428 9.501 -16.797 1.00 0.00 H new ATOM 385 N TYR A 27 -3.260 6.866 -16.820 1.00 0.00 N ATOM 386 CA TYR A 27 -2.730 5.902 -15.863 1.00 0.00 C ATOM 387 C TYR A 27 -1.612 5.072 -16.487 1.00 0.00 C ATOM 388 O TYR A 27 -1.865 4.180 -17.296 1.00 0.00 O ATOM 389 CB TYR A 27 -3.845 4.982 -15.363 1.00 0.00 C ATOM 390 CG TYR A 27 -4.910 5.701 -14.565 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.836 6.527 -15.191 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.992 5.552 -13.186 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.810 7.186 -14.466 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.964 6.206 -12.453 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.870 7.022 -13.098 1.00 0.00 C ATOM 396 OH TYR A 27 -7.840 7.675 -12.373 1.00 0.00 O ATOM 0 H TYR A 27 -3.463 6.478 -17.741 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.319 6.456 -15.019 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.312 4.492 -16.218 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.408 4.197 -14.746 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.793 6.656 -16.262 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.284 4.914 -12.678 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.521 7.826 -14.968 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.014 6.079 -11.382 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.639 7.111 -12.313 1.00 0.00 H new ATOM 406 N GLU A 28 -0.376 5.373 -16.103 1.00 0.00 N ATOM 407 CA GLU A 28 0.781 4.655 -16.624 1.00 0.00 C ATOM 408 C GLU A 28 1.559 3.983 -15.496 1.00 0.00 C ATOM 409 O GLU A 28 1.672 4.526 -14.397 1.00 0.00 O ATOM 410 CB GLU A 28 1.698 5.609 -17.393 1.00 0.00 C ATOM 411 CG GLU A 28 2.926 4.933 -17.979 1.00 0.00 C ATOM 412 CD GLU A 28 4.100 4.922 -17.018 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.869 5.062 -15.799 1.00 0.00 O ATOM 414 OE2 GLU A 28 5.248 4.775 -17.485 1.00 0.00 O ATOM 0 H GLU A 28 -0.150 6.109 -15.433 1.00 0.00 H new ATOM 0 HA GLU A 28 0.420 3.883 -17.303 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.130 6.074 -18.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.018 6.409 -16.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.676 3.908 -18.253 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.216 5.446 -18.896 1.00 0.00 H new ATOM 421 N CYS A 29 2.092 2.799 -15.777 1.00 0.00 N ATOM 422 CA CYS A 29 2.858 2.051 -14.786 1.00 0.00 C ATOM 423 C CYS A 29 4.352 2.317 -14.940 1.00 0.00 C ATOM 424 O CYS A 29 4.944 2.003 -15.971 1.00 0.00 O ATOM 425 CB CYS A 29 2.578 0.554 -14.918 1.00 0.00 C ATOM 426 SG CYS A 29 2.971 -0.130 -16.545 1.00 0.00 S ATOM 0 H CYS A 29 2.008 2.336 -16.682 1.00 0.00 H new ATOM 0 HA CYS A 29 2.548 2.385 -13.796 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.154 0.020 -14.162 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.525 0.372 -14.704 1.00 0.00 H new ATOM 0 HG CYS A 29 4.005 0.486 -17.037 1.00 0.00 H new ATOM 432 N GLU A 30 4.954 2.900 -13.907 1.00 0.00 N ATOM 433 CA GLU A 30 6.378 3.210 -13.930 1.00 0.00 C ATOM 434 C GLU A 30 7.201 2.026 -13.431 1.00 0.00 C ATOM 435 O GLU A 30 7.996 1.451 -14.174 1.00 0.00 O ATOM 436 CB GLU A 30 6.668 4.444 -13.073 1.00 0.00 C ATOM 437 CG GLU A 30 6.353 5.757 -13.770 1.00 0.00 C ATOM 438 CD GLU A 30 7.437 6.173 -14.746 1.00 0.00 C ATOM 439 OE1 GLU A 30 8.553 6.498 -14.290 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.169 6.175 -15.966 1.00 0.00 O ATOM 0 H GLU A 30 4.478 3.166 -13.045 1.00 0.00 H new ATOM 0 HA GLU A 30 6.661 3.418 -14.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.086 4.382 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.720 4.438 -12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.406 5.664 -14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.223 6.539 -13.022 1.00 0.00 H new ATOM 447 N ARG A 31 7.004 1.667 -12.166 1.00 0.00 N ATOM 448 CA ARG A 31 7.728 0.553 -11.566 1.00 0.00 C ATOM 449 C ARG A 31 6.813 -0.653 -11.379 1.00 0.00 C ATOM 450 O ARG A 31 5.696 -0.525 -10.878 1.00 0.00 O ATOM 451 CB ARG A 31 8.322 0.970 -10.219 1.00 0.00 C ATOM 452 CG ARG A 31 9.035 -0.159 -9.493 1.00 0.00 C ATOM 453 CD ARG A 31 10.494 -0.256 -9.912 1.00 0.00 C ATOM 454 NE ARG A 31 11.184 -1.355 -9.241 1.00 0.00 N ATOM 455 CZ ARG A 31 12.506 -1.478 -9.200 1.00 0.00 C ATOM 456 NH1 ARG A 31 13.277 -0.574 -9.788 1.00 0.00 N ATOM 457 NH2 ARG A 31 13.059 -2.506 -8.570 1.00 0.00 N ATOM 0 H ARG A 31 6.349 2.132 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 31 8.536 0.272 -12.241 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.024 1.789 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.524 1.353 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.974 0.003 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.532 -1.103 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.553 -0.396 -10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.000 0.682 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 31 10.619 -2.067 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.855 0.218 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.292 -0.670 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.469 -3.203 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.074 -2.599 -8.539 1.00 0.00 H new ATOM 471 N SER A 32 7.294 -1.823 -11.786 1.00 0.00 N ATOM 472 CA SER A 32 6.518 -3.052 -11.668 1.00 0.00 C ATOM 473 C SER A 32 7.352 -4.163 -11.037 1.00 0.00 C ATOM 474 O SER A 32 8.125 -4.836 -11.718 1.00 0.00 O ATOM 475 CB SER A 32 6.013 -3.495 -13.042 1.00 0.00 C ATOM 476 OG SER A 32 5.263 -2.467 -13.666 1.00 0.00 O ATOM 0 H SER A 32 8.218 -1.946 -12.201 1.00 0.00 H new ATOM 0 HA SER A 32 5.663 -2.852 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.859 -3.767 -13.673 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.395 -4.387 -12.936 1.00 0.00 H new ATOM 0 HG SER A 32 4.317 -2.722 -13.693 1.00 0.00 H new ATOM 482 N ASP A 33 7.188 -4.348 -9.731 1.00 0.00 N ATOM 483 CA ASP A 33 7.924 -5.377 -9.007 1.00 0.00 C ATOM 484 C ASP A 33 7.018 -6.557 -8.669 1.00 0.00 C ATOM 485 O ASP A 33 5.967 -6.389 -8.051 1.00 0.00 O ATOM 486 CB ASP A 33 8.526 -4.798 -7.726 1.00 0.00 C ATOM 487 CG ASP A 33 9.773 -5.540 -7.285 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.627 -5.829 -8.149 1.00 0.00 O ATOM 489 OD2 ASP A 33 9.894 -5.832 -6.077 1.00 0.00 O ATOM 0 H ASP A 33 6.552 -3.799 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 33 8.730 -5.732 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.769 -3.747 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.783 -4.836 -6.929 1.00 0.00 H new ATOM 494 N VAL A 34 7.433 -7.752 -9.080 1.00 0.00 N ATOM 495 CA VAL A 34 6.659 -8.960 -8.822 1.00 0.00 C ATOM 496 C VAL A 34 7.432 -9.928 -7.933 1.00 0.00 C ATOM 497 O VAL A 34 8.416 -10.529 -8.363 1.00 0.00 O ATOM 498 CB VAL A 34 6.280 -9.675 -10.132 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.208 -8.893 -10.876 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.509 -9.873 -11.005 1.00 0.00 C ATOM 0 H VAL A 34 8.301 -7.909 -9.593 1.00 0.00 H new ATOM 0 HA VAL A 34 5.748 -8.649 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 34 5.875 -10.657 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.953 -9.413 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.320 -8.808 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.582 -7.897 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.223 -10.380 -11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.945 -8.903 -11.244 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.241 -10.478 -10.471 1.00 0.00 H new ATOM 510 N GLN A 35 6.979 -10.073 -6.692 1.00 0.00 N ATOM 511 CA GLN A 35 7.629 -10.969 -5.742 1.00 0.00 C ATOM 512 C GLN A 35 6.608 -11.876 -5.063 1.00 0.00 C ATOM 513 O GLN A 35 6.800 -13.089 -4.979 1.00 0.00 O ATOM 514 CB GLN A 35 8.393 -10.163 -4.690 1.00 0.00 C ATOM 515 CG GLN A 35 9.434 -9.225 -5.280 1.00 0.00 C ATOM 516 CD GLN A 35 10.188 -8.449 -4.218 1.00 0.00 C ATOM 517 OE1 GLN A 35 9.611 -7.625 -3.507 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.486 -8.708 -4.105 1.00 0.00 N ATOM 0 H GLN A 35 6.165 -9.582 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 35 8.333 -11.594 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.682 -9.581 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.884 -10.852 -4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.142 -9.802 -5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.945 -8.525 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.923 -9.399 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.045 -8.216 -3.408 1.00 0.00 H new ATOM 527 N ILE A 36 5.524 -11.279 -4.578 1.00 0.00 N ATOM 528 CA ILE A 36 4.473 -12.034 -3.907 1.00 0.00 C ATOM 529 C ILE A 36 3.182 -12.019 -4.718 1.00 0.00 C ATOM 530 O ILE A 36 3.090 -11.348 -5.747 1.00 0.00 O ATOM 531 CB ILE A 36 4.189 -11.474 -2.501 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.448 -10.139 -2.599 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.487 -11.310 -1.724 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.314 -9.003 -3.099 1.00 0.00 C ATOM 0 H ILE A 36 5.351 -10.276 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 36 4.830 -13.060 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 36 3.555 -12.181 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.594 -10.255 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.053 -9.879 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.270 -10.913 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.978 -12.278 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.144 -10.621 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.724 -8.088 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.155 -8.860 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.688 -9.242 -4.094 1.00 0.00 H new ATOM 546 N HIS A 37 2.185 -12.761 -4.247 1.00 0.00 N ATOM 547 CA HIS A 37 0.896 -12.831 -4.927 1.00 0.00 C ATOM 548 C HIS A 37 0.472 -11.455 -5.430 1.00 0.00 C ATOM 549 O HIS A 37 0.147 -11.285 -6.605 1.00 0.00 O ATOM 550 CB HIS A 37 -0.170 -13.396 -3.988 1.00 0.00 C ATOM 551 CG HIS A 37 -0.379 -12.571 -2.755 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.613 -12.343 -1.825 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.474 -11.918 -2.302 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.137 -11.586 -0.853 1.00 0.00 C ATOM 555 NE2 HIS A 37 -1.128 -11.314 -1.119 1.00 0.00 N ATOM 0 H HIS A 37 2.245 -13.322 -3.397 1.00 0.00 H new ATOM 0 HA HIS A 37 1.001 -13.495 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.114 -13.474 -4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.114 -14.407 -3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.441 -11.879 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.688 -11.247 0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.747 -10.747 -0.539 1.00 0.00 H new ATOM 563 N VAL A 38 0.475 -10.475 -4.532 1.00 0.00 N ATOM 564 CA VAL A 38 0.091 -9.114 -4.884 1.00 0.00 C ATOM 565 C VAL A 38 1.317 -8.234 -5.098 1.00 0.00 C ATOM 566 O VAL A 38 1.939 -7.752 -4.151 1.00 0.00 O ATOM 567 CB VAL A 38 -0.797 -8.481 -3.796 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.039 -8.380 -2.481 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.293 -7.114 -4.241 1.00 0.00 C ATOM 0 H VAL A 38 0.739 -10.599 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.475 -9.177 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.664 -9.123 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.682 -7.931 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.261 -9.376 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.847 -7.761 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.919 -6.682 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.441 -6.460 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.876 -7.219 -5.156 1.00 0.00 H new ATOM 579 N PRO A 39 1.675 -8.018 -6.373 1.00 0.00 N ATOM 580 CA PRO A 39 2.830 -7.194 -6.742 1.00 0.00 C ATOM 581 C PRO A 39 2.603 -5.714 -6.452 1.00 0.00 C ATOM 582 O PRO A 39 1.579 -5.331 -5.886 1.00 0.00 O ATOM 583 CB PRO A 39 2.967 -7.429 -8.248 1.00 0.00 C ATOM 584 CG PRO A 39 1.598 -7.809 -8.698 1.00 0.00 C ATOM 585 CD PRO A 39 0.980 -8.561 -7.552 1.00 0.00 C ATOM 0 HA PRO A 39 3.720 -7.462 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.317 -6.532 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.687 -8.219 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.010 -6.926 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.639 -8.428 -9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.096 -8.395 -7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.132 -9.636 -7.648 1.00 0.00 H new ATOM 593 N THR A 40 3.565 -4.885 -6.844 1.00 0.00 N ATOM 594 CA THR A 40 3.470 -3.447 -6.626 1.00 0.00 C ATOM 595 C THR A 40 3.573 -2.683 -7.941 1.00 0.00 C ATOM 596 O THR A 40 4.593 -2.744 -8.628 1.00 0.00 O ATOM 597 CB THR A 40 4.571 -2.950 -5.670 1.00 0.00 C ATOM 598 OG1 THR A 40 5.861 -3.297 -6.185 1.00 0.00 O ATOM 599 CG2 THR A 40 4.394 -3.550 -4.283 1.00 0.00 C ATOM 0 H THR A 40 4.419 -5.185 -7.314 1.00 0.00 H new ATOM 0 HA THR A 40 2.495 -3.260 -6.175 1.00 0.00 H new ATOM 0 HB THR A 40 4.492 -1.866 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.840 -3.273 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.183 -3.185 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.423 -3.259 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.449 -4.637 -4.347 1.00 0.00 H new ATOM 607 N PHE A 41 2.510 -1.963 -8.286 1.00 0.00 N ATOM 608 CA PHE A 41 2.481 -1.187 -9.520 1.00 0.00 C ATOM 609 C PHE A 41 2.286 0.297 -9.225 1.00 0.00 C ATOM 610 O PHE A 41 1.386 0.680 -8.476 1.00 0.00 O ATOM 611 CB PHE A 41 1.362 -1.688 -10.436 1.00 0.00 C ATOM 612 CG PHE A 41 1.697 -2.969 -11.145 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.935 -4.131 -10.429 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.773 -3.012 -12.528 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.242 -5.312 -11.078 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.079 -4.190 -13.183 1.00 0.00 C ATOM 617 CZ PHE A 41 2.316 -5.341 -12.457 1.00 0.00 C ATOM 0 H PHE A 41 1.658 -1.901 -7.728 1.00 0.00 H new ATOM 0 HA PHE A 41 3.439 -1.316 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.458 -1.835 -9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.138 -0.920 -11.176 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.880 -4.114 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.591 -2.115 -13.101 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.424 -6.211 -10.508 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.133 -4.211 -14.261 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.559 -6.262 -12.967 1.00 0.00 H new ATOM 627 N THR A 42 3.135 1.130 -9.819 1.00 0.00 N ATOM 628 CA THR A 42 3.059 2.571 -9.619 1.00 0.00 C ATOM 629 C THR A 42 2.312 3.246 -10.764 1.00 0.00 C ATOM 630 O THR A 42 2.838 3.378 -11.869 1.00 0.00 O ATOM 631 CB THR A 42 4.461 3.197 -9.496 1.00 0.00 C ATOM 632 OG1 THR A 42 5.177 2.587 -8.416 1.00 0.00 O ATOM 633 CG2 THR A 42 4.366 4.697 -9.264 1.00 0.00 C ATOM 0 H THR A 42 3.884 0.830 -10.443 1.00 0.00 H new ATOM 0 HA THR A 42 2.515 2.732 -8.688 1.00 0.00 H new ATOM 0 HB THR A 42 4.995 3.023 -10.430 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.068 2.989 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.369 5.116 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.847 5.163 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.815 4.889 -8.343 1.00 0.00 H new ATOM 641 N PHE A 43 1.083 3.673 -10.492 1.00 0.00 N ATOM 642 CA PHE A 43 0.263 4.335 -11.500 1.00 0.00 C ATOM 643 C PHE A 43 0.325 5.851 -11.342 1.00 0.00 C ATOM 644 O PHE A 43 -0.022 6.390 -10.291 1.00 0.00 O ATOM 645 CB PHE A 43 -1.188 3.859 -11.402 1.00 0.00 C ATOM 646 CG PHE A 43 -1.489 2.670 -12.269 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.171 2.681 -13.618 1.00 0.00 C ATOM 648 CD2 PHE A 43 -2.089 1.541 -11.736 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.448 1.589 -14.418 1.00 0.00 C ATOM 650 CE2 PHE A 43 -2.368 0.445 -12.531 1.00 0.00 C ATOM 651 CZ PHE A 43 -2.046 0.469 -13.874 1.00 0.00 C ATOM 0 H PHE A 43 0.633 3.572 -9.582 1.00 0.00 H new ATOM 0 HA PHE A 43 0.658 4.073 -12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.410 3.608 -10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.850 4.679 -11.680 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.701 3.553 -14.049 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.342 1.517 -10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.197 1.611 -15.468 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.837 -0.429 -12.103 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.261 -0.386 -14.497 1.00 0.00 H new ATOM 661 N ARG A 44 0.769 6.532 -12.393 1.00 0.00 N ATOM 662 CA ARG A 44 0.878 7.986 -12.371 1.00 0.00 C ATOM 663 C ARG A 44 -0.365 8.634 -12.972 1.00 0.00 C ATOM 664 O ARG A 44 -0.670 8.442 -14.149 1.00 0.00 O ATOM 665 CB ARG A 44 2.123 8.437 -13.137 1.00 0.00 C ATOM 666 CG ARG A 44 2.489 9.893 -12.901 1.00 0.00 C ATOM 667 CD ARG A 44 3.988 10.118 -13.024 1.00 0.00 C ATOM 668 NE ARG A 44 4.307 11.499 -13.375 1.00 0.00 N ATOM 669 CZ ARG A 44 4.119 12.012 -14.586 1.00 0.00 C ATOM 670 NH1 ARG A 44 3.615 11.262 -15.556 1.00 0.00 N ATOM 671 NH2 ARG A 44 4.435 13.278 -14.828 1.00 0.00 N ATOM 0 H ARG A 44 1.059 6.100 -13.271 1.00 0.00 H new ATOM 0 HA ARG A 44 0.965 8.303 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.965 7.808 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.960 8.280 -14.203 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.965 10.522 -13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.155 10.197 -11.909 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.471 9.863 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.394 9.448 -13.782 1.00 0.00 H new ATOM 0 HE ARG A 44 4.696 12.103 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.371 10.289 -15.373 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.472 11.658 -16.485 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.823 13.858 -14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.290 13.671 -15.758 1.00 0.00 H new ATOM 685 N VAL A 45 -1.080 9.401 -12.156 1.00 0.00 N ATOM 686 CA VAL A 45 -2.291 10.078 -12.607 1.00 0.00 C ATOM 687 C VAL A 45 -2.012 11.540 -12.938 1.00 0.00 C ATOM 688 O VAL A 45 -1.560 12.306 -12.087 1.00 0.00 O ATOM 689 CB VAL A 45 -3.403 10.007 -11.544 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.206 11.088 -10.492 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.771 10.130 -12.197 1.00 0.00 C ATOM 0 H VAL A 45 -0.842 9.570 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.626 9.562 -13.507 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.348 9.038 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.001 11.022 -9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.241 10.949 -10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.234 12.068 -10.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.545 10.078 -11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.840 11.084 -12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.909 9.316 -12.909 1.00 0.00 H new ATOM 701 N THR A 46 -2.284 11.921 -14.182 1.00 0.00 N ATOM 702 CA THR A 46 -2.062 13.291 -14.627 1.00 0.00 C ATOM 703 C THR A 46 -3.355 13.921 -15.133 1.00 0.00 C ATOM 704 O THR A 46 -3.871 13.545 -16.185 1.00 0.00 O ATOM 705 CB THR A 46 -1.003 13.354 -15.744 1.00 0.00 C ATOM 706 OG1 THR A 46 0.235 12.807 -15.277 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.788 14.788 -16.205 1.00 0.00 C ATOM 0 H THR A 46 -2.658 11.300 -14.899 1.00 0.00 H new ATOM 0 HA THR A 46 -1.702 13.850 -13.763 1.00 0.00 H new ATOM 0 HB THR A 46 -1.363 12.767 -16.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.692 13.466 -14.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.036 14.808 -16.994 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.726 15.192 -16.587 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.448 15.393 -15.365 1.00 0.00 H new ATOM 715 N VAL A 47 -3.874 14.883 -14.376 1.00 0.00 N ATOM 716 CA VAL A 47 -5.106 15.568 -14.749 1.00 0.00 C ATOM 717 C VAL A 47 -4.885 17.071 -14.872 1.00 0.00 C ATOM 718 O VAL A 47 -4.723 17.769 -13.872 1.00 0.00 O ATOM 719 CB VAL A 47 -6.225 15.307 -13.723 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.446 16.157 -14.037 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.587 13.829 -13.694 1.00 0.00 C ATOM 0 H VAL A 47 -3.460 15.205 -13.501 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.409 15.169 -15.717 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.861 15.588 -12.735 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.226 15.959 -13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.174 17.212 -14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.815 15.910 -15.033 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.379 13.663 -12.964 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.932 13.520 -14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.709 13.245 -13.417 1.00 0.00 H new ATOM 731 N GLY A 48 -4.879 17.564 -16.107 1.00 0.00 N ATOM 732 CA GLY A 48 -4.677 18.982 -16.338 1.00 0.00 C ATOM 733 C GLY A 48 -3.305 19.452 -15.897 1.00 0.00 C ATOM 734 O GLY A 48 -2.351 19.424 -16.675 1.00 0.00 O ATOM 0 H GLY A 48 -5.010 17.007 -16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.807 19.196 -17.399 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.440 19.546 -15.803 1.00 0.00 H new ATOM 738 N ASP A 49 -3.205 19.886 -14.645 1.00 0.00 N ATOM 739 CA ASP A 49 -1.940 20.365 -14.101 1.00 0.00 C ATOM 740 C ASP A 49 -1.511 19.525 -12.902 1.00 0.00 C ATOM 741 O ASP A 49 -0.341 19.526 -12.518 1.00 0.00 O ATOM 742 CB ASP A 49 -2.059 21.835 -13.693 1.00 0.00 C ATOM 743 CG ASP A 49 -0.716 22.453 -13.359 1.00 0.00 C ATOM 744 OD1 ASP A 49 -0.244 22.267 -12.218 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.136 23.123 -14.239 1.00 0.00 O ATOM 0 H ASP A 49 -3.985 19.916 -13.988 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.181 20.272 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.523 22.398 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.719 21.917 -12.829 1.00 0.00 H new ATOM 750 N ILE A 50 -2.465 18.811 -12.315 1.00 0.00 N ATOM 751 CA ILE A 50 -2.186 17.967 -11.160 1.00 0.00 C ATOM 752 C ILE A 50 -1.625 16.615 -11.589 1.00 0.00 C ATOM 753 O ILE A 50 -2.226 15.910 -12.401 1.00 0.00 O ATOM 754 CB ILE A 50 -3.451 17.738 -10.311 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.159 19.068 -10.044 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.092 17.051 -9.002 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.653 18.928 -9.847 1.00 0.00 C ATOM 0 H ILE A 50 -3.438 18.800 -12.620 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.444 18.492 -10.558 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.131 17.090 -10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.725 19.530 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.972 19.744 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.996 16.896 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.626 16.088 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.397 17.676 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.089 19.910 -9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.099 18.495 -10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.848 18.278 -8.994 1.00 0.00 H new ATOM 769 N THR A 51 -0.469 16.259 -11.038 1.00 0.00 N ATOM 770 CA THR A 51 0.174 14.992 -11.363 1.00 0.00 C ATOM 771 C THR A 51 0.551 14.227 -10.100 1.00 0.00 C ATOM 772 O THR A 51 1.444 14.637 -9.358 1.00 0.00 O ATOM 773 CB THR A 51 1.438 15.206 -12.217 1.00 0.00 C ATOM 774 OG1 THR A 51 1.072 15.488 -13.572 1.00 0.00 O ATOM 775 CG2 THR A 51 2.334 13.977 -12.174 1.00 0.00 C ATOM 0 H THR A 51 0.041 16.830 -10.364 1.00 0.00 H new ATOM 0 HA THR A 51 -0.548 14.409 -11.936 1.00 0.00 H new ATOM 0 HB THR A 51 1.988 16.052 -11.806 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.881 15.624 -14.108 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.220 14.151 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.635 13.782 -11.145 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.790 13.116 -12.562 1.00 0.00 H new ATOM 783 N CYS A 52 -0.133 13.113 -9.861 1.00 0.00 N ATOM 784 CA CYS A 52 0.131 12.291 -8.686 1.00 0.00 C ATOM 785 C CYS A 52 0.461 10.857 -9.089 1.00 0.00 C ATOM 786 O CYS A 52 0.373 10.494 -10.263 1.00 0.00 O ATOM 787 CB CYS A 52 -1.076 12.304 -7.747 1.00 0.00 C ATOM 788 SG CYS A 52 -1.474 13.936 -7.079 1.00 0.00 S ATOM 0 H CYS A 52 -0.874 12.759 -10.466 1.00 0.00 H new ATOM 0 HA CYS A 52 0.992 12.711 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.944 11.921 -8.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.886 11.621 -6.919 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.015 13.804 -5.904 1.00 0.00 H new ATOM 794 N THR A 53 0.844 10.045 -8.109 1.00 0.00 N ATOM 795 CA THR A 53 1.191 8.652 -8.361 1.00 0.00 C ATOM 796 C THR A 53 0.733 7.756 -7.217 1.00 0.00 C ATOM 797 O THR A 53 0.817 8.131 -6.049 1.00 0.00 O ATOM 798 CB THR A 53 2.709 8.478 -8.558 1.00 0.00 C ATOM 799 OG1 THR A 53 3.398 8.765 -7.336 1.00 0.00 O ATOM 800 CG2 THR A 53 3.220 9.393 -9.661 1.00 0.00 C ATOM 0 H THR A 53 0.922 10.329 -7.132 1.00 0.00 H new ATOM 0 HA THR A 53 0.677 8.359 -9.277 1.00 0.00 H new ATOM 0 HB THR A 53 2.899 7.445 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.362 8.650 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.294 9.252 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.715 9.152 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.017 10.431 -9.396 1.00 0.00 H new ATOM 808 N GLY A 54 0.247 6.567 -7.561 1.00 0.00 N ATOM 809 CA GLY A 54 -0.217 5.634 -6.550 1.00 0.00 C ATOM 810 C GLY A 54 0.697 4.435 -6.404 1.00 0.00 C ATOM 811 O GLY A 54 0.559 3.449 -7.128 1.00 0.00 O ATOM 0 H GLY A 54 0.166 6.233 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.292 6.149 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.220 5.293 -6.808 1.00 0.00 H new ATOM 815 N GLU A 55 1.636 4.518 -5.466 1.00 0.00 N ATOM 816 CA GLU A 55 2.578 3.431 -5.231 1.00 0.00 C ATOM 817 C GLU A 55 2.260 2.709 -3.925 1.00 0.00 C ATOM 818 O GLU A 55 1.895 3.334 -2.930 1.00 0.00 O ATOM 819 CB GLU A 55 4.011 3.967 -5.194 1.00 0.00 C ATOM 820 CG GLU A 55 5.047 2.913 -4.842 1.00 0.00 C ATOM 821 CD GLU A 55 6.462 3.455 -4.864 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.740 4.358 -5.681 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.293 2.977 -4.063 1.00 0.00 O ATOM 0 H GLU A 55 1.764 5.326 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 55 2.485 2.720 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.255 4.394 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.068 4.777 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.831 2.513 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.969 2.083 -5.545 1.00 0.00 H new ATOM 830 N GLY A 56 2.401 1.387 -3.936 1.00 0.00 N ATOM 831 CA GLY A 56 2.125 0.601 -2.748 1.00 0.00 C ATOM 832 C GLY A 56 1.628 -0.793 -3.078 1.00 0.00 C ATOM 833 O GLY A 56 2.095 -1.779 -2.507 1.00 0.00 O ATOM 0 H GLY A 56 2.702 0.846 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.031 0.528 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.380 1.115 -2.141 1.00 0.00 H new ATOM 837 N THR A 57 0.675 -0.877 -4.001 1.00 0.00 N ATOM 838 CA THR A 57 0.112 -2.160 -4.404 1.00 0.00 C ATOM 839 C THR A 57 -0.002 -2.258 -5.921 1.00 0.00 C ATOM 840 O THR A 57 0.402 -1.347 -6.644 1.00 0.00 O ATOM 841 CB THR A 57 -1.278 -2.383 -3.780 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.365 -1.707 -2.521 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.551 -3.867 -3.584 1.00 0.00 C ATOM 0 H THR A 57 0.277 -0.072 -4.484 1.00 0.00 H new ATOM 0 HA THR A 57 0.792 -2.932 -4.043 1.00 0.00 H new ATOM 0 HB THR A 57 -2.026 -1.978 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.308 -2.361 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.538 -4.000 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.514 -4.374 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.797 -4.291 -2.921 1.00 0.00 H new ATOM 851 N SER A 58 -0.556 -3.368 -6.398 1.00 0.00 N ATOM 852 CA SER A 58 -0.720 -3.586 -7.830 1.00 0.00 C ATOM 853 C SER A 58 -2.023 -2.967 -8.327 1.00 0.00 C ATOM 854 O SER A 58 -2.803 -2.420 -7.547 1.00 0.00 O ATOM 855 CB SER A 58 -0.702 -5.084 -8.145 1.00 0.00 C ATOM 856 OG SER A 58 -0.626 -5.310 -9.541 1.00 0.00 O ATOM 0 H SER A 58 -0.899 -4.130 -5.813 1.00 0.00 H new ATOM 0 HA SER A 58 0.112 -3.104 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.149 -5.553 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.601 -5.554 -7.746 1.00 0.00 H new ATOM 0 HG SER A 58 0.308 -5.251 -9.832 1.00 0.00 H new ATOM 862 N LYS A 59 -2.252 -3.056 -9.633 1.00 0.00 N ATOM 863 CA LYS A 59 -3.459 -2.506 -10.238 1.00 0.00 C ATOM 864 C LYS A 59 -4.644 -2.615 -9.283 1.00 0.00 C ATOM 865 O LYS A 59 -5.533 -1.763 -9.280 1.00 0.00 O ATOM 866 CB LYS A 59 -3.776 -3.234 -11.546 1.00 0.00 C ATOM 867 CG LYS A 59 -2.670 -3.133 -12.582 1.00 0.00 C ATOM 868 CD LYS A 59 -1.767 -4.355 -12.555 1.00 0.00 C ATOM 869 CE LYS A 59 -2.222 -5.406 -13.556 1.00 0.00 C ATOM 870 NZ LYS A 59 -3.173 -6.377 -12.947 1.00 0.00 N ATOM 0 H LYS A 59 -1.617 -3.504 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.281 -1.452 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.965 -4.286 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.695 -2.825 -11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.108 -3.025 -13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.077 -2.237 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.743 -4.057 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.762 -4.783 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.697 -4.916 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.354 -5.941 -13.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.328 -7.169 -13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.777 -6.738 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.079 -5.903 -12.757 1.00 0.00 H new ATOM 884 N LYS A 60 -4.650 -3.668 -8.473 1.00 0.00 N ATOM 885 CA LYS A 60 -5.724 -3.888 -7.512 1.00 0.00 C ATOM 886 C LYS A 60 -5.987 -2.629 -6.692 1.00 0.00 C ATOM 887 O LYS A 60 -7.013 -1.969 -6.862 1.00 0.00 O ATOM 888 CB LYS A 60 -5.372 -5.051 -6.580 1.00 0.00 C ATOM 889 CG LYS A 60 -6.584 -5.820 -6.084 1.00 0.00 C ATOM 890 CD LYS A 60 -7.208 -6.654 -7.191 1.00 0.00 C ATOM 891 CE LYS A 60 -6.469 -7.970 -7.380 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.286 -8.960 -8.135 1.00 0.00 N ATOM 0 H LYS A 60 -3.923 -4.383 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.629 -4.135 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.706 -5.737 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.821 -4.665 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.291 -6.470 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.324 -5.122 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.253 -6.853 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.195 -6.091 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.535 -7.789 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.207 -8.383 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.748 -9.844 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.166 -9.152 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.515 -8.577 -9.074 1.00 0.00 H new ATOM 906 N LEU A 61 -5.054 -2.300 -5.806 1.00 0.00 N ATOM 907 CA LEU A 61 -5.184 -1.117 -4.961 1.00 0.00 C ATOM 908 C LEU A 61 -4.497 0.086 -5.599 1.00 0.00 C ATOM 909 O LEU A 61 -5.095 1.152 -5.739 1.00 0.00 O ATOM 910 CB LEU A 61 -4.588 -1.386 -3.578 1.00 0.00 C ATOM 911 CG LEU A 61 -3.970 -0.181 -2.868 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.867 1.039 -3.010 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.724 -0.496 -1.400 1.00 0.00 C ATOM 0 H LEU A 61 -4.199 -2.835 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.245 -0.891 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.371 -1.796 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.823 -2.156 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.011 0.041 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.411 1.887 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.993 1.277 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.840 0.828 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.284 0.373 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.669 -0.744 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.042 -1.342 -1.319 1.00 0.00 H new ATOM 925 N ALA A 62 -3.238 -0.094 -5.985 1.00 0.00 N ATOM 926 CA ALA A 62 -2.471 0.975 -6.612 1.00 0.00 C ATOM 927 C ALA A 62 -3.374 1.888 -7.435 1.00 0.00 C ATOM 928 O ALA A 62 -3.351 3.109 -7.276 1.00 0.00 O ATOM 929 CB ALA A 62 -1.369 0.393 -7.484 1.00 0.00 C ATOM 0 H ALA A 62 -2.728 -0.970 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.016 1.573 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.804 1.203 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.701 -0.211 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.811 -0.230 -8.261 1.00 0.00 H new ATOM 935 N LYS A 63 -4.167 1.289 -8.317 1.00 0.00 N ATOM 936 CA LYS A 63 -5.078 2.048 -9.166 1.00 0.00 C ATOM 937 C LYS A 63 -6.010 2.915 -8.326 1.00 0.00 C ATOM 938 O LYS A 63 -6.068 4.132 -8.501 1.00 0.00 O ATOM 939 CB LYS A 63 -5.899 1.100 -10.043 1.00 0.00 C ATOM 940 CG LYS A 63 -6.323 1.710 -11.368 1.00 0.00 C ATOM 941 CD LYS A 63 -5.273 1.490 -12.444 1.00 0.00 C ATOM 942 CE LYS A 63 -5.725 2.049 -13.785 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.648 1.118 -14.491 1.00 0.00 N ATOM 0 H LYS A 63 -4.197 0.280 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.482 2.700 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.314 0.201 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.788 0.790 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.269 1.271 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.495 2.779 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.339 1.967 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.069 0.424 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.223 3.006 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.853 2.241 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.933 1.535 -15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.165 0.213 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.492 0.955 -13.905 1.00 0.00 H new ATOM 957 N HIS A 64 -6.738 2.280 -7.412 1.00 0.00 N ATOM 958 CA HIS A 64 -7.666 2.995 -6.543 1.00 0.00 C ATOM 959 C HIS A 64 -6.994 4.213 -5.916 1.00 0.00 C ATOM 960 O HIS A 64 -7.568 5.302 -5.883 1.00 0.00 O ATOM 961 CB HIS A 64 -8.189 2.066 -5.447 1.00 0.00 C ATOM 962 CG HIS A 64 -9.581 2.390 -5.001 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.706 1.948 -5.665 1.00 0.00 N ATOM 964 CD2 HIS A 64 -10.028 3.117 -3.950 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.784 2.390 -5.042 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.400 3.102 -3.998 1.00 0.00 N ATOM 0 H HIS A 64 -6.703 1.273 -7.254 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.504 3.337 -7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.163 1.039 -5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.520 2.118 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.419 3.616 -3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.806 2.201 -5.336 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.022 3.565 -3.335 1.00 0.00 H new ATOM 974 N ARG A 65 -5.777 4.021 -5.419 1.00 0.00 N ATOM 975 CA ARG A 65 -5.029 5.104 -4.791 1.00 0.00 C ATOM 976 C ARG A 65 -4.664 6.177 -5.813 1.00 0.00 C ATOM 977 O ARG A 65 -4.786 7.371 -5.543 1.00 0.00 O ATOM 978 CB ARG A 65 -3.760 4.560 -4.132 1.00 0.00 C ATOM 979 CG ARG A 65 -3.953 4.158 -2.679 1.00 0.00 C ATOM 980 CD ARG A 65 -2.670 3.605 -2.079 1.00 0.00 C ATOM 981 NE ARG A 65 -2.585 3.854 -0.642 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.470 3.709 0.065 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.351 3.319 -0.529 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.473 3.956 1.369 1.00 0.00 N ATOM 0 H ARG A 65 -5.288 3.126 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.663 5.555 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.410 3.695 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.978 5.317 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.283 5.022 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.741 3.408 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.616 2.532 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.813 4.058 -2.577 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.429 4.156 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.345 3.130 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.504 3.208 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.332 4.257 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.616 3.844 1.911 1.00 0.00 H new ATOM 998 N ALA A 66 -4.216 5.741 -6.986 1.00 0.00 N ATOM 999 CA ALA A 66 -3.836 6.664 -8.048 1.00 0.00 C ATOM 1000 C ALA A 66 -4.956 7.656 -8.341 1.00 0.00 C ATOM 1001 O ALA A 66 -4.732 8.866 -8.377 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.467 5.894 -9.308 1.00 0.00 C ATOM 0 H ALA A 66 -4.108 4.755 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.966 7.228 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.185 6.595 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.629 5.230 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.322 5.304 -9.638 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.161 7.136 -8.551 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.316 7.977 -8.839 1.00 0.00 C ATOM 1010 C ALA A 67 -7.728 8.783 -7.612 1.00 0.00 C ATOM 1011 O ALA A 67 -8.103 9.950 -7.723 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.478 7.127 -9.330 1.00 0.00 C ATOM 0 H ALA A 67 -6.362 6.136 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.037 8.679 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.334 7.768 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.186 6.601 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.748 6.402 -8.562 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.657 8.153 -6.444 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.025 8.813 -5.197 1.00 0.00 C ATOM 1020 C GLU A 68 -7.252 10.117 -5.023 1.00 0.00 C ATOM 1021 O GLU A 68 -7.838 11.169 -4.769 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.761 7.888 -4.007 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.950 7.017 -3.637 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.929 6.587 -2.183 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.825 6.351 -1.650 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -10.017 6.488 -1.579 1.00 0.00 O ATOM 0 H GLU A 68 -7.348 7.187 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.089 9.044 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.910 7.247 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.481 8.492 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.872 7.563 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.959 6.132 -4.273 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.933 10.039 -5.161 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.079 11.212 -5.021 1.00 0.00 C ATOM 1035 C ALA A 69 -5.649 12.400 -5.787 1.00 0.00 C ATOM 1036 O ALA A 69 -6.151 13.352 -5.190 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.669 10.899 -5.501 1.00 0.00 C ATOM 0 H ALA A 69 -5.432 9.175 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.040 11.479 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.042 11.784 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.255 10.085 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.699 10.604 -6.550 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.567 12.339 -7.112 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.077 13.410 -7.959 1.00 0.00 C ATOM 1045 C ALA A 70 -7.358 14.004 -7.383 1.00 0.00 C ATOM 1046 O ALA A 70 -7.387 15.167 -6.979 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.319 12.896 -9.371 1.00 0.00 C ATOM 0 H ALA A 70 -5.152 11.559 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.326 14.200 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.700 13.706 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.383 12.527 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.048 12.086 -9.343 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.414 13.199 -7.349 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.698 13.645 -6.822 1.00 0.00 C ATOM 1055 C ILE A 71 -9.509 14.540 -5.601 1.00 0.00 C ATOM 1056 O ILE A 71 -9.773 15.741 -5.653 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.594 12.453 -6.437 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.821 11.546 -7.647 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.921 12.947 -5.881 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.624 10.304 -7.330 1.00 0.00 C ATOM 0 H ILE A 71 -8.406 12.234 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.185 14.213 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.091 11.874 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.335 12.112 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.855 11.250 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.544 12.093 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.740 13.556 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.431 13.546 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.746 9.709 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.101 9.716 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.605 10.592 -6.951 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.050 13.947 -4.505 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.824 14.691 -3.271 1.00 0.00 C ATOM 1074 C ASN A 72 -8.298 16.092 -3.568 1.00 0.00 C ATOM 1075 O ASN A 72 -8.575 17.039 -2.832 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.836 13.943 -2.373 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.529 12.984 -1.424 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.438 13.369 -0.689 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.101 11.727 -1.438 1.00 0.00 N ATOM 0 H ASN A 72 -8.827 12.953 -4.445 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.778 14.783 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.132 13.390 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.255 14.664 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.529 11.036 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.344 11.453 -2.064 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.539 16.215 -4.652 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.976 17.500 -5.048 1.00 0.00 C ATOM 1088 C ILE A 73 -7.940 18.270 -5.944 1.00 0.00 C ATOM 1089 O ILE A 73 -8.065 19.491 -5.836 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.636 17.324 -5.786 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.565 16.799 -4.827 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.197 18.641 -6.409 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.454 16.040 -5.519 1.00 0.00 C ATOM 0 H ILE A 73 -7.300 15.441 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.805 18.065 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.771 16.594 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.135 17.638 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.036 16.147 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.248 18.500 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.952 18.977 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.076 19.391 -5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.731 15.698 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.872 15.180 -6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.957 16.695 -6.235 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.621 17.549 -6.827 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.577 18.164 -7.742 1.00 0.00 C ATOM 1107 C LEU A 74 -10.680 18.884 -6.974 1.00 0.00 C ATOM 1108 O LEU A 74 -11.406 19.707 -7.532 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.188 17.104 -8.660 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.412 16.798 -9.942 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -7.936 16.596 -9.637 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -9.988 15.572 -10.635 1.00 0.00 C ATOM 0 H LEU A 74 -8.529 16.538 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.043 18.897 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.294 16.179 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.192 17.426 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.510 17.650 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.400 16.379 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.530 17.502 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.818 15.762 -8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.423 15.370 -11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.922 14.712 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.032 15.755 -10.889 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.800 18.571 -5.688 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.812 19.190 -4.840 1.00 0.00 C ATOM 1126 C LYS A 75 -11.266 20.448 -4.171 1.00 0.00 C ATOM 1127 O LYS A 75 -11.870 21.516 -4.250 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.291 18.200 -3.776 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.600 16.819 -4.326 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.360 15.738 -3.285 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.529 15.624 -2.319 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.254 14.649 -1.228 1.00 0.00 N ATOM 0 H LYS A 75 -10.208 17.892 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.655 19.472 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.527 18.112 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.185 18.599 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.638 16.782 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.979 16.627 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.203 14.781 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.449 15.962 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.740 16.602 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.422 15.317 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.075 14.600 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.078 13.710 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.417 14.955 -0.692 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.119 20.312 -3.513 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.490 21.437 -2.834 1.00 0.00 C ATOM 1148 C ALA A 76 -8.909 22.429 -3.836 1.00 0.00 C ATOM 1149 O ALA A 76 -9.303 23.594 -3.870 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.405 20.944 -1.888 1.00 0.00 C ATOM 0 H ALA A 76 -9.607 19.433 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.256 21.952 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.944 21.796 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.845 20.281 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.647 20.402 -2.454 1.00 0.00 H new ATOM 1156 N ASN A 77 -7.970 21.958 -4.650 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.333 22.805 -5.653 1.00 0.00 C ATOM 1158 C ASN A 77 -8.362 23.342 -6.644 1.00 0.00 C ATOM 1159 O ASN A 77 -8.216 24.445 -7.169 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.251 22.022 -6.399 1.00 0.00 C ATOM 1161 CG ASN A 77 -5.058 21.703 -5.519 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -5.198 21.077 -4.467 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -3.876 22.133 -5.945 1.00 0.00 N ATOM 0 H ASN A 77 -7.633 20.995 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.873 23.650 -5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.676 21.094 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.919 22.599 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.037 21.948 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.807 22.648 -6.823 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.403 22.554 -6.893 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.458 22.951 -7.817 1.00 0.00 C ATOM 1172 C ALA A 78 -9.886 23.281 -9.192 1.00 0.00 C ATOM 1173 O ALA A 78 -10.184 24.330 -9.763 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.225 24.142 -7.263 1.00 0.00 C ATOM 0 H ALA A 78 -9.538 21.637 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.144 22.112 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.010 24.427 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.673 23.873 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.543 24.980 -7.121 1.00 0.00 H new ATOM 1180 N SER A 79 -9.064 22.379 -9.719 1.00 0.00 N ATOM 1181 CA SER A 79 -8.448 22.577 -11.025 1.00 0.00 C ATOM 1182 C SER A 79 -9.397 23.308 -11.969 1.00 0.00 C ATOM 1183 O SER A 79 -9.037 24.320 -12.569 1.00 0.00 O ATOM 1184 CB SER A 79 -8.044 21.231 -11.631 1.00 0.00 C ATOM 1185 OG SER A 79 -7.414 21.407 -12.888 1.00 0.00 O ATOM 0 H SER A 79 -8.809 21.504 -9.261 1.00 0.00 H new ATOM 0 HA SER A 79 -7.556 23.189 -10.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.369 20.711 -10.952 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.926 20.602 -11.748 1.00 0.00 H new ATOM 0 HG SER A 79 -7.164 20.533 -13.254 1.00 0.00 H new ATOM 1191 N GLY A 80 -10.614 22.787 -12.095 1.00 0.00 N ATOM 1192 CA GLY A 80 -11.598 23.402 -12.966 1.00 0.00 C ATOM 1193 C GLY A 80 -12.209 24.651 -12.361 1.00 0.00 C ATOM 1194 O GLY A 80 -12.472 24.719 -11.160 1.00 0.00 O ATOM 0 H GLY A 80 -10.936 21.950 -11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.129 23.655 -13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.388 22.683 -13.181 1.00 0.00 H new ATOM 1198 N PRO A 81 -12.444 25.667 -13.204 1.00 0.00 N ATOM 1199 CA PRO A 81 -13.030 26.938 -12.767 1.00 0.00 C ATOM 1200 C PRO A 81 -14.497 26.796 -12.374 1.00 0.00 C ATOM 1201 O PRO A 81 -15.259 26.087 -13.031 1.00 0.00 O ATOM 1202 CB PRO A 81 -12.891 27.835 -13.999 1.00 0.00 C ATOM 1203 CG PRO A 81 -12.848 26.892 -15.151 1.00 0.00 C ATOM 1204 CD PRO A 81 -12.157 25.655 -14.648 1.00 0.00 C ATOM 0 HA PRO A 81 -12.535 27.331 -11.879 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.731 28.525 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.986 28.440 -13.948 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.853 26.661 -15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.307 27.327 -15.991 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.544 24.756 -15.127 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.085 25.685 -14.845 1.00 0.00 H new ATOM 1212 N SER A 82 -14.886 27.474 -11.299 1.00 0.00 N ATOM 1213 CA SER A 82 -16.261 27.420 -10.818 1.00 0.00 C ATOM 1214 C SER A 82 -17.246 27.659 -11.958 1.00 0.00 C ATOM 1215 O SER A 82 -18.110 26.826 -12.231 1.00 0.00 O ATOM 1216 CB SER A 82 -16.479 28.458 -9.715 1.00 0.00 C ATOM 1217 OG SER A 82 -15.710 28.149 -8.565 1.00 0.00 O ATOM 0 H SER A 82 -14.268 28.067 -10.745 1.00 0.00 H new ATOM 0 HA SER A 82 -16.438 26.424 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.207 29.447 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.536 28.496 -9.450 1.00 0.00 H new ATOM 0 HG SER A 82 -15.865 28.828 -7.875 1.00 0.00 H new ATOM 1223 N SER A 83 -17.109 28.803 -12.620 1.00 0.00 N ATOM 1224 CA SER A 83 -17.988 29.155 -13.729 1.00 0.00 C ATOM 1225 C SER A 83 -17.180 29.623 -14.936 1.00 0.00 C ATOM 1226 O SER A 83 -16.067 30.127 -14.794 1.00 0.00 O ATOM 1227 CB SER A 83 -18.969 30.249 -13.302 1.00 0.00 C ATOM 1228 OG SER A 83 -20.152 30.205 -14.081 1.00 0.00 O ATOM 0 H SER A 83 -16.397 29.502 -12.408 1.00 0.00 H new ATOM 0 HA SER A 83 -18.549 28.264 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 83 -19.219 30.127 -12.248 1.00 0.00 H new ATOM 0 HB3 SER A 83 -18.497 31.226 -13.406 1.00 0.00 H new ATOM 0 HG SER A 83 -20.763 30.913 -13.788 1.00 0.00 H new ATOM 1234 N GLY A 84 -17.751 29.451 -16.125 1.00 0.00 N ATOM 1235 CA GLY A 84 -17.071 29.860 -17.340 1.00 0.00 C ATOM 1236 C GLY A 84 -17.698 31.087 -17.970 1.00 0.00 C ATOM 1237 O GLY A 84 -17.147 31.662 -18.909 1.00 0.00 O ATOM 0 H GLY A 84 -18.672 29.036 -16.268 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.024 30.065 -17.115 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -17.088 29.039 -18.056 1.00 0.00 H new TER 1241 GLY A 84