USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 846 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 25 LYS NZ :NH3+ -120:sc= 0.351 (180deg=0) USER MOD Set 1.2: A 91 THR OG1 : rot -106:sc= 0.753 USER MOD Set 2.1: A 33 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-1.1!) USER MOD Set 2.3: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -0.0707 USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.245 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.52) USER MOD Single : A 19 MET CE :methyl 132:sc= -2.79! (180deg=-3.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 34:sc= -1.23 USER MOD Single : A 43 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.89) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.402 F(o=-0.98,f=-0.4) USER MOD Single : A 78 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.73) USER MOD Single : A 79 SER OG : rot -30:sc= -1.02 USER MOD Single : A 80 SER OG : rot 180:sc= -0.8 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.0959 F(o=-0.76,f=-0.096) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.0054) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.613 13.370 -25.446 1.00 0.00 N ATOM 2 CA GLY A 1 -3.703 14.365 -24.907 1.00 0.00 C ATOM 3 C GLY A 1 -3.434 14.164 -23.429 1.00 0.00 C ATOM 4 O GLY A 1 -2.638 13.306 -23.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.765 13.551 -26.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.204 12.422 -25.321 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.523 13.424 -24.945 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.761 14.325 -25.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.121 15.359 -25.065 1.00 0.00 H new ATOM 8 N SER A 2 -4.096 14.958 -22.595 1.00 0.00 N ATOM 9 CA SER A 2 -3.920 14.868 -21.150 1.00 0.00 C ATOM 10 C SER A 2 -3.918 13.412 -20.694 1.00 0.00 C ATOM 11 O SER A 2 -4.817 12.642 -21.034 1.00 0.00 O ATOM 12 CB SER A 2 -5.028 15.639 -20.430 1.00 0.00 C ATOM 13 OG SER A 2 -6.270 14.965 -20.536 1.00 0.00 O ATOM 0 H SER A 2 -4.760 15.672 -22.895 1.00 0.00 H new ATOM 0 HA SER A 2 -2.957 15.312 -20.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.766 15.762 -19.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.116 16.639 -20.856 1.00 0.00 H new ATOM 0 HG SER A 2 -6.116 14.036 -20.809 1.00 0.00 H new ATOM 19 N SER A 3 -2.902 13.042 -19.920 1.00 0.00 N ATOM 20 CA SER A 3 -2.781 11.678 -19.419 1.00 0.00 C ATOM 21 C SER A 3 -2.795 11.656 -17.894 1.00 0.00 C ATOM 22 O SER A 3 -1.891 12.181 -17.246 1.00 0.00 O ATOM 23 CB SER A 3 -1.493 11.035 -19.938 1.00 0.00 C ATOM 24 OG SER A 3 -1.620 9.625 -20.011 1.00 0.00 O ATOM 0 H SER A 3 -2.152 13.667 -19.627 1.00 0.00 H new ATOM 0 HA SER A 3 -3.636 11.107 -19.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.256 11.433 -20.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.663 11.295 -19.281 1.00 0.00 H new ATOM 0 HG SER A 3 -0.785 9.238 -20.347 1.00 0.00 H new ATOM 30 N GLY A 4 -3.831 11.044 -17.327 1.00 0.00 N ATOM 31 CA GLY A 4 -3.945 10.965 -15.882 1.00 0.00 C ATOM 32 C GLY A 4 -2.872 10.092 -15.263 1.00 0.00 C ATOM 33 O GLY A 4 -2.169 10.518 -14.347 1.00 0.00 O ATOM 0 H GLY A 4 -4.592 10.602 -17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.881 11.968 -15.460 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.927 10.571 -15.619 1.00 0.00 H new ATOM 37 N SER A 5 -2.747 8.867 -15.762 1.00 0.00 N ATOM 38 CA SER A 5 -1.756 7.929 -15.248 1.00 0.00 C ATOM 39 C SER A 5 -0.438 8.640 -14.953 1.00 0.00 C ATOM 40 O SER A 5 0.256 8.310 -13.991 1.00 0.00 O ATOM 41 CB SER A 5 -1.525 6.797 -16.250 1.00 0.00 C ATOM 42 OG SER A 5 -1.102 7.305 -17.504 1.00 0.00 O ATOM 0 H SER A 5 -3.320 8.500 -16.522 1.00 0.00 H new ATOM 0 HA SER A 5 -2.138 7.508 -14.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.774 6.110 -15.860 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.445 6.226 -16.377 1.00 0.00 H new ATOM 0 HG SER A 5 -0.959 6.562 -18.127 1.00 0.00 H new ATOM 48 N SER A 6 -0.100 9.616 -15.789 1.00 0.00 N ATOM 49 CA SER A 6 1.136 10.372 -15.622 1.00 0.00 C ATOM 50 C SER A 6 1.065 11.263 -14.386 1.00 0.00 C ATOM 51 O SER A 6 0.275 12.205 -14.331 1.00 0.00 O ATOM 52 CB SER A 6 1.411 11.222 -16.863 1.00 0.00 C ATOM 53 OG SER A 6 2.079 10.469 -17.860 1.00 0.00 O ATOM 0 H SER A 6 -0.665 9.902 -16.589 1.00 0.00 H new ATOM 0 HA SER A 6 1.952 9.662 -15.490 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.471 11.605 -17.261 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.016 12.086 -16.589 1.00 0.00 H new ATOM 0 HG SER A 6 2.241 11.035 -18.643 1.00 0.00 H new ATOM 59 N GLY A 7 1.897 10.958 -13.394 1.00 0.00 N ATOM 60 CA GLY A 7 1.913 11.740 -12.172 1.00 0.00 C ATOM 61 C GLY A 7 1.422 10.953 -10.973 1.00 0.00 C ATOM 62 O GLY A 7 0.302 11.140 -10.497 1.00 0.00 O ATOM 0 H GLY A 7 2.560 10.183 -13.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.927 12.090 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.289 12.624 -12.302 1.00 0.00 H new ATOM 66 N PRO A 8 2.272 10.047 -10.468 1.00 0.00 N ATOM 67 CA PRO A 8 1.940 9.209 -9.311 1.00 0.00 C ATOM 68 C PRO A 8 1.869 10.011 -8.016 1.00 0.00 C ATOM 69 O PRO A 8 1.072 9.706 -7.129 1.00 0.00 O ATOM 70 CB PRO A 8 3.094 8.206 -9.257 1.00 0.00 C ATOM 71 CG PRO A 8 4.232 8.901 -9.920 1.00 0.00 C ATOM 72 CD PRO A 8 3.623 9.771 -10.985 1.00 0.00 C ATOM 0 HA PRO A 8 0.959 8.745 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.338 7.939 -8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.839 7.281 -9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.795 9.498 -9.203 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.928 8.183 -10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.193 10.689 -11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.589 9.262 -11.948 1.00 0.00 H new ATOM 80 N ALA A 9 2.707 11.037 -7.914 1.00 0.00 N ATOM 81 CA ALA A 9 2.738 11.883 -6.728 1.00 0.00 C ATOM 82 C ALA A 9 1.932 13.160 -6.944 1.00 0.00 C ATOM 83 O ALA A 9 1.053 13.495 -6.149 1.00 0.00 O ATOM 84 CB ALA A 9 4.174 12.219 -6.356 1.00 0.00 C ATOM 0 H ALA A 9 3.374 11.302 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 9 2.282 11.331 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.181 12.851 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.721 11.299 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.650 12.748 -7.182 1.00 0.00 H new ATOM 90 N THR A 10 2.238 13.871 -8.024 1.00 0.00 N ATOM 91 CA THR A 10 1.544 15.113 -8.344 1.00 0.00 C ATOM 92 C THR A 10 0.038 14.960 -8.170 1.00 0.00 C ATOM 93 O THR A 10 -0.630 15.855 -7.651 1.00 0.00 O ATOM 94 CB THR A 10 1.840 15.566 -9.786 1.00 0.00 C ATOM 95 OG1 THR A 10 1.561 14.502 -10.702 1.00 0.00 O ATOM 96 CG2 THR A 10 3.292 15.998 -9.930 1.00 0.00 C ATOM 0 H THR A 10 2.962 13.608 -8.693 1.00 0.00 H new ATOM 0 HA THR A 10 1.912 15.870 -7.651 1.00 0.00 H new ATOM 0 HB THR A 10 1.199 16.418 -10.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.750 14.799 -11.616 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.478 16.314 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.493 16.828 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.947 15.162 -9.684 1.00 0.00 H new ATOM 104 N CYS A 11 -0.492 13.823 -8.607 1.00 0.00 N ATOM 105 CA CYS A 11 -1.921 13.554 -8.500 1.00 0.00 C ATOM 106 C CYS A 11 -2.233 12.768 -7.230 1.00 0.00 C ATOM 107 O CYS A 11 -1.452 11.927 -6.784 1.00 0.00 O ATOM 108 CB CYS A 11 -2.409 12.780 -9.725 1.00 0.00 C ATOM 109 SG CYS A 11 -2.313 13.711 -11.272 1.00 0.00 S ATOM 0 H CYS A 11 0.047 13.072 -9.039 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.442 14.510 -8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.819 11.869 -9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.442 12.475 -9.561 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.745 12.972 -12.251 1.00 0.00 H new ATOM 115 N PRO A 12 -3.400 13.049 -6.632 1.00 0.00 N ATOM 116 CA PRO A 12 -3.841 12.380 -5.404 1.00 0.00 C ATOM 117 C PRO A 12 -4.201 10.917 -5.638 1.00 0.00 C ATOM 118 O PRO A 12 -3.994 10.384 -6.729 1.00 0.00 O ATOM 119 CB PRO A 12 -5.082 13.177 -4.992 1.00 0.00 C ATOM 120 CG PRO A 12 -5.592 13.766 -6.262 1.00 0.00 C ATOM 121 CD PRO A 12 -4.379 14.040 -7.108 1.00 0.00 C ATOM 0 HA PRO A 12 -3.058 12.362 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.829 12.534 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.832 13.953 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.272 13.079 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.150 14.683 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.593 13.916 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.017 15.059 -6.973 1.00 0.00 H new ATOM 129 N ILE A 13 -4.740 10.273 -4.608 1.00 0.00 N ATOM 130 CA ILE A 13 -5.129 8.872 -4.704 1.00 0.00 C ATOM 131 C ILE A 13 -6.584 8.734 -5.142 1.00 0.00 C ATOM 132 O ILE A 13 -7.504 8.941 -4.351 1.00 0.00 O ATOM 133 CB ILE A 13 -4.938 8.142 -3.361 1.00 0.00 C ATOM 134 CG1 ILE A 13 -3.461 8.143 -2.961 1.00 0.00 C ATOM 135 CG2 ILE A 13 -5.466 6.718 -3.452 1.00 0.00 C ATOM 136 CD1 ILE A 13 -3.201 7.514 -1.610 1.00 0.00 C ATOM 0 H ILE A 13 -4.917 10.699 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.482 8.415 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.504 8.670 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.887 7.608 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.096 9.170 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.324 6.215 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.528 6.739 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.925 6.178 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.134 7.549 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.747 8.062 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.535 6.476 -1.621 1.00 0.00 H new ATOM 148 N VAL A 14 -6.784 8.381 -6.408 1.00 0.00 N ATOM 149 CA VAL A 14 -8.126 8.212 -6.951 1.00 0.00 C ATOM 150 C VAL A 14 -8.738 6.890 -6.503 1.00 0.00 C ATOM 151 O VAL A 14 -8.182 5.814 -6.723 1.00 0.00 O ATOM 152 CB VAL A 14 -8.119 8.267 -8.490 1.00 0.00 C ATOM 153 CG1 VAL A 14 -6.987 7.420 -9.050 1.00 0.00 C ATOM 154 CG2 VAL A 14 -9.461 7.812 -9.045 1.00 0.00 C ATOM 0 H VAL A 14 -6.033 8.207 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.729 9.036 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.955 9.299 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.998 7.471 -10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.033 7.796 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.117 6.385 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.439 7.857 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.657 6.788 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.250 8.465 -8.671 1.00 0.00 H new ATOM 164 N PRO A 15 -9.912 6.969 -5.860 1.00 0.00 N ATOM 165 CA PRO A 15 -10.627 5.787 -5.368 1.00 0.00 C ATOM 166 C PRO A 15 -11.193 4.939 -6.501 1.00 0.00 C ATOM 167 O PRO A 15 -11.470 5.444 -7.589 1.00 0.00 O ATOM 168 CB PRO A 15 -11.759 6.382 -4.527 1.00 0.00 C ATOM 169 CG PRO A 15 -11.980 7.741 -5.096 1.00 0.00 C ATOM 170 CD PRO A 15 -10.633 8.218 -5.563 1.00 0.00 C ATOM 0 HA PRO A 15 -9.972 5.116 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.662 5.774 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.484 6.434 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.690 7.707 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.395 8.415 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.715 8.854 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.125 8.802 -4.795 1.00 0.00 H new ATOM 178 N GLY A 16 -11.365 3.647 -6.239 1.00 0.00 N ATOM 179 CA GLY A 16 -11.898 2.750 -7.247 1.00 0.00 C ATOM 180 C GLY A 16 -10.856 2.340 -8.268 1.00 0.00 C ATOM 181 O GLY A 16 -10.824 1.189 -8.703 1.00 0.00 O ATOM 0 H GLY A 16 -11.145 3.206 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.297 1.859 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.730 3.235 -7.757 1.00 0.00 H new ATOM 185 N GLN A 17 -10.003 3.284 -8.653 1.00 0.00 N ATOM 186 CA GLN A 17 -8.956 3.014 -9.632 1.00 0.00 C ATOM 187 C GLN A 17 -7.590 2.930 -8.959 1.00 0.00 C ATOM 188 O GLN A 17 -7.176 3.851 -8.256 1.00 0.00 O ATOM 189 CB GLN A 17 -8.942 4.103 -10.707 1.00 0.00 C ATOM 190 CG GLN A 17 -10.328 4.577 -11.111 1.00 0.00 C ATOM 191 CD GLN A 17 -10.289 5.656 -12.176 1.00 0.00 C ATOM 192 OE1 GLN A 17 -10.741 6.779 -11.954 1.00 0.00 O ATOM 193 NE2 GLN A 17 -9.745 5.319 -13.340 1.00 0.00 N ATOM 0 H GLN A 17 -10.016 4.242 -8.302 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.170 2.053 -10.100 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.368 4.955 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.425 3.725 -11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.905 3.729 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.848 4.958 -10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.383 4.376 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.689 6.003 -14.094 1.00 0.00 H new ATOM 202 N GLU A 18 -6.896 1.817 -9.178 1.00 0.00 N ATOM 203 CA GLU A 18 -5.577 1.613 -8.591 1.00 0.00 C ATOM 204 C GLU A 18 -4.601 2.690 -9.056 1.00 0.00 C ATOM 205 O GLU A 18 -4.501 2.979 -10.248 1.00 0.00 O ATOM 206 CB GLU A 18 -5.039 0.229 -8.960 1.00 0.00 C ATOM 207 CG GLU A 18 -5.628 -0.896 -8.125 1.00 0.00 C ATOM 208 CD GLU A 18 -6.944 -1.406 -8.679 1.00 0.00 C ATOM 209 OE1 GLU A 18 -6.914 -2.295 -9.555 1.00 0.00 O ATOM 210 OE2 GLU A 18 -8.003 -0.917 -8.235 1.00 0.00 O ATOM 0 H GLU A 18 -7.225 1.044 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.676 1.680 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.247 0.036 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.955 0.227 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.915 -1.719 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.779 -0.545 -7.104 1.00 0.00 H new ATOM 217 N MET A 19 -3.885 3.282 -8.106 1.00 0.00 N ATOM 218 CA MET A 19 -2.917 4.327 -8.417 1.00 0.00 C ATOM 219 C MET A 19 -1.555 4.005 -7.810 1.00 0.00 C ATOM 220 O MET A 19 -1.424 3.073 -7.016 1.00 0.00 O ATOM 221 CB MET A 19 -3.412 5.680 -7.902 1.00 0.00 C ATOM 222 CG MET A 19 -3.402 5.793 -6.386 1.00 0.00 C ATOM 223 SD MET A 19 -1.789 6.267 -5.735 1.00 0.00 S ATOM 224 CE MET A 19 -1.686 7.967 -6.290 1.00 0.00 C ATOM 0 H MET A 19 -3.957 3.056 -7.114 1.00 0.00 H new ATOM 0 HA MET A 19 -2.809 4.377 -9.500 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.788 6.470 -8.321 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.426 5.849 -8.264 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.145 6.528 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.698 4.838 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.376 8.602 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.957 8.043 -7.097 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.662 8.292 -6.651 1.00 0.00 H new ATOM 234 N ILE A 20 -0.545 4.782 -8.188 1.00 0.00 N ATOM 235 CA ILE A 20 0.805 4.579 -7.680 1.00 0.00 C ATOM 236 C ILE A 20 1.304 5.813 -6.936 1.00 0.00 C ATOM 237 O ILE A 20 0.816 6.922 -7.157 1.00 0.00 O ATOM 238 CB ILE A 20 1.791 4.245 -8.816 1.00 0.00 C ATOM 239 CG1 ILE A 20 1.430 2.903 -9.455 1.00 0.00 C ATOM 240 CG2 ILE A 20 3.218 4.222 -8.289 1.00 0.00 C ATOM 241 CD1 ILE A 20 0.311 2.996 -10.468 1.00 0.00 C ATOM 0 H ILE A 20 -0.637 5.557 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 20 0.759 3.736 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 20 1.720 5.020 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.315 2.492 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.142 2.203 -8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.903 3.985 -9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.469 5.199 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.306 3.466 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.109 2.007 -10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.588 3.377 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.604 3.671 -11.272 1.00 0.00 H new ATOM 253 N ILE A 21 2.278 5.613 -6.055 1.00 0.00 N ATOM 254 CA ILE A 21 2.844 6.710 -5.281 1.00 0.00 C ATOM 255 C ILE A 21 4.355 6.559 -5.136 1.00 0.00 C ATOM 256 O ILE A 21 4.852 5.478 -4.821 1.00 0.00 O ATOM 257 CB ILE A 21 2.212 6.796 -3.879 1.00 0.00 C ATOM 258 CG1 ILE A 21 1.793 5.404 -3.399 1.00 0.00 C ATOM 259 CG2 ILE A 21 1.018 7.738 -3.894 1.00 0.00 C ATOM 260 CD1 ILE A 21 1.167 5.403 -2.022 1.00 0.00 C ATOM 0 H ILE A 21 2.692 4.701 -5.860 1.00 0.00 H new ATOM 0 HA ILE A 21 2.623 7.627 -5.827 1.00 0.00 H new ATOM 0 HB ILE A 21 2.954 7.192 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.085 4.981 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.667 4.752 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.582 7.789 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.343 8.733 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.272 7.369 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.895 4.384 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.880 5.796 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.274 6.028 -2.028 1.00 0.00 H new ATOM 272 N GLU A 22 5.079 7.650 -5.366 1.00 0.00 N ATOM 273 CA GLU A 22 6.533 7.638 -5.260 1.00 0.00 C ATOM 274 C GLU A 22 7.010 8.630 -4.203 1.00 0.00 C ATOM 275 O GLU A 22 6.799 9.837 -4.331 1.00 0.00 O ATOM 276 CB GLU A 22 7.168 7.970 -6.611 1.00 0.00 C ATOM 277 CG GLU A 22 8.580 7.431 -6.770 1.00 0.00 C ATOM 278 CD GLU A 22 9.186 7.771 -8.117 1.00 0.00 C ATOM 279 OE1 GLU A 22 8.827 7.110 -9.114 1.00 0.00 O ATOM 280 OE2 GLU A 22 10.020 8.699 -8.175 1.00 0.00 O ATOM 0 H GLU A 22 4.682 8.553 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 22 6.841 6.637 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.542 7.565 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.185 9.052 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.211 7.837 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.568 6.348 -6.644 1.00 0.00 H new ATOM 287 N ILE A 23 7.652 8.114 -3.161 1.00 0.00 N ATOM 288 CA ILE A 23 8.159 8.954 -2.084 1.00 0.00 C ATOM 289 C ILE A 23 9.678 8.861 -1.982 1.00 0.00 C ATOM 290 O ILE A 23 10.240 7.768 -1.922 1.00 0.00 O ATOM 291 CB ILE A 23 7.540 8.565 -0.728 1.00 0.00 C ATOM 292 CG1 ILE A 23 6.029 8.800 -0.747 1.00 0.00 C ATOM 293 CG2 ILE A 23 8.191 9.356 0.397 1.00 0.00 C ATOM 294 CD1 ILE A 23 5.317 8.251 0.471 1.00 0.00 C ATOM 0 H ILE A 23 7.833 7.118 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 23 7.876 9.979 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 23 7.721 7.505 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.837 9.871 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.609 8.340 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.743 9.070 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.260 9.143 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.037 10.422 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.249 8.453 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.479 7.175 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.710 8.729 1.368 1.00 0.00 H new ATOM 306 N SER A 24 10.336 10.016 -1.962 1.00 0.00 N ATOM 307 CA SER A 24 11.790 10.065 -1.870 1.00 0.00 C ATOM 308 C SER A 24 12.240 10.127 -0.413 1.00 0.00 C ATOM 309 O SER A 24 11.814 10.999 0.345 1.00 0.00 O ATOM 310 CB SER A 24 12.330 11.276 -2.634 1.00 0.00 C ATOM 311 OG SER A 24 13.746 11.257 -2.684 1.00 0.00 O ATOM 0 H SER A 24 9.885 10.930 -2.008 1.00 0.00 H new ATOM 0 HA SER A 24 12.189 9.155 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.927 11.280 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.992 12.194 -2.153 1.00 0.00 H new ATOM 0 HG SER A 24 14.066 12.040 -3.179 1.00 0.00 H new ATOM 317 N LYS A 25 13.105 9.195 -0.028 1.00 0.00 N ATOM 318 CA LYS A 25 13.616 9.141 1.337 1.00 0.00 C ATOM 319 C LYS A 25 14.460 10.372 1.650 1.00 0.00 C ATOM 320 O LYS A 25 15.456 10.641 0.980 1.00 0.00 O ATOM 321 CB LYS A 25 14.447 7.873 1.543 1.00 0.00 C ATOM 322 CG LYS A 25 13.610 6.615 1.695 1.00 0.00 C ATOM 323 CD LYS A 25 14.443 5.448 2.199 1.00 0.00 C ATOM 324 CE LYS A 25 13.869 4.116 1.743 1.00 0.00 C ATOM 325 NZ LYS A 25 14.452 2.973 2.500 1.00 0.00 N ATOM 0 H LYS A 25 13.467 8.466 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 25 12.764 9.123 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.122 7.750 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.068 7.996 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.790 6.804 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.163 6.356 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.467 5.547 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.486 5.473 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.787 4.123 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.062 3.983 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.929 2.327 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.140 3.330 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.694 2.463 2.997 1.00 0.00 H new ATOM 339 N GLY A 26 14.056 11.117 2.675 1.00 0.00 N ATOM 340 CA GLY A 26 14.788 12.309 3.060 1.00 0.00 C ATOM 341 C GLY A 26 15.602 12.108 4.323 1.00 0.00 C ATOM 342 O GLY A 26 15.121 12.363 5.427 1.00 0.00 O ATOM 0 H GLY A 26 13.235 10.916 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.452 12.602 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.086 13.130 3.211 1.00 0.00 H new ATOM 346 N ARG A 27 16.838 11.647 4.161 1.00 0.00 N ATOM 347 CA ARG A 27 17.719 11.408 5.297 1.00 0.00 C ATOM 348 C ARG A 27 16.924 10.946 6.515 1.00 0.00 C ATOM 349 O ARG A 27 17.153 11.410 7.631 1.00 0.00 O ATOM 350 CB ARG A 27 18.502 12.678 5.639 1.00 0.00 C ATOM 351 CG ARG A 27 17.617 13.882 5.919 1.00 0.00 C ATOM 352 CD ARG A 27 18.403 15.181 5.835 1.00 0.00 C ATOM 353 NE ARG A 27 17.584 16.339 6.186 1.00 0.00 N ATOM 354 CZ ARG A 27 18.052 17.580 6.241 1.00 0.00 C ATOM 355 NH1 ARG A 27 19.327 17.825 5.969 1.00 0.00 N ATOM 356 NH2 ARG A 27 17.245 18.581 6.568 1.00 0.00 N ATOM 0 H ARG A 27 17.252 11.432 3.254 1.00 0.00 H new ATOM 0 HA ARG A 27 18.419 10.620 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.126 12.486 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.173 12.915 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.795 13.905 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.174 13.787 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.263 15.129 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.792 15.305 4.824 1.00 0.00 H new ATOM 0 HE ARG A 27 16.599 16.185 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.951 17.059 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.683 18.780 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.264 18.397 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.606 19.534 6.610 1.00 0.00 H new ATOM 370 N SER A 28 15.989 10.028 6.290 1.00 0.00 N ATOM 371 CA SER A 28 15.156 9.506 7.367 1.00 0.00 C ATOM 372 C SER A 28 14.343 8.305 6.893 1.00 0.00 C ATOM 373 O SER A 28 13.423 8.443 6.088 1.00 0.00 O ATOM 374 CB SER A 28 14.219 10.596 7.890 1.00 0.00 C ATOM 375 OG SER A 28 13.434 10.119 8.969 1.00 0.00 O ATOM 0 H SER A 28 15.790 9.631 5.372 1.00 0.00 H new ATOM 0 HA SER A 28 15.812 9.182 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.803 11.457 8.214 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.568 10.937 7.085 1.00 0.00 H new ATOM 0 HG SER A 28 12.845 10.835 9.286 1.00 0.00 H new ATOM 381 N GLY A 29 14.692 7.125 7.397 1.00 0.00 N ATOM 382 CA GLY A 29 13.986 5.917 7.014 1.00 0.00 C ATOM 383 C GLY A 29 12.482 6.103 7.004 1.00 0.00 C ATOM 384 O GLY A 29 11.912 6.666 7.939 1.00 0.00 O ATOM 0 H GLY A 29 15.451 6.985 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.317 5.605 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.245 5.114 7.704 1.00 0.00 H new ATOM 388 N LEU A 30 11.836 5.630 5.943 1.00 0.00 N ATOM 389 CA LEU A 30 10.388 5.748 5.814 1.00 0.00 C ATOM 390 C LEU A 30 9.708 5.623 7.173 1.00 0.00 C ATOM 391 O LEU A 30 10.185 4.909 8.054 1.00 0.00 O ATOM 392 CB LEU A 30 9.852 4.677 4.862 1.00 0.00 C ATOM 393 CG LEU A 30 10.256 4.822 3.394 1.00 0.00 C ATOM 394 CD1 LEU A 30 9.602 3.737 2.552 1.00 0.00 C ATOM 395 CD2 LEU A 30 9.884 6.202 2.872 1.00 0.00 C ATOM 0 H LEU A 30 12.292 5.161 5.160 1.00 0.00 H new ATOM 0 HA LEU A 30 10.164 6.733 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.189 3.703 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.764 4.679 4.921 1.00 0.00 H new ATOM 0 HG LEU A 30 11.338 4.708 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.900 3.855 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.918 2.758 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.518 3.819 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.179 6.287 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.807 6.345 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.399 6.964 3.457 1.00 0.00 H new ATOM 407 N GLY A 31 8.587 6.320 7.335 1.00 0.00 N ATOM 408 CA GLY A 31 7.858 6.271 8.589 1.00 0.00 C ATOM 409 C GLY A 31 6.437 5.774 8.414 1.00 0.00 C ATOM 410 O GLY A 31 5.488 6.559 8.446 1.00 0.00 O ATOM 0 H GLY A 31 8.171 6.917 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.384 5.619 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.840 7.266 9.034 1.00 0.00 H new ATOM 414 N LEU A 32 6.288 4.467 8.227 1.00 0.00 N ATOM 415 CA LEU A 32 4.971 3.866 8.045 1.00 0.00 C ATOM 416 C LEU A 32 4.903 2.494 8.708 1.00 0.00 C ATOM 417 O LEU A 32 5.927 1.846 8.923 1.00 0.00 O ATOM 418 CB LEU A 32 4.648 3.741 6.555 1.00 0.00 C ATOM 419 CG LEU A 32 5.768 3.198 5.668 1.00 0.00 C ATOM 420 CD1 LEU A 32 6.301 1.886 6.224 1.00 0.00 C ATOM 421 CD2 LEU A 32 5.276 3.013 4.240 1.00 0.00 C ATOM 0 H LEU A 32 7.062 3.804 8.197 1.00 0.00 H new ATOM 0 HA LEU A 32 4.234 4.515 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.779 3.093 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.361 4.724 6.182 1.00 0.00 H new ATOM 0 HG LEU A 32 6.582 3.923 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.098 1.515 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.693 2.049 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.495 1.153 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.087 2.626 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.444 2.309 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.944 3.972 3.842 1.00 0.00 H new ATOM 433 N SER A 33 3.689 2.056 9.027 1.00 0.00 N ATOM 434 CA SER A 33 3.487 0.762 9.667 1.00 0.00 C ATOM 435 C SER A 33 2.469 -0.073 8.895 1.00 0.00 C ATOM 436 O SER A 33 1.420 0.428 8.488 1.00 0.00 O ATOM 437 CB SER A 33 3.018 0.951 11.111 1.00 0.00 C ATOM 438 OG SER A 33 3.065 -0.271 11.826 1.00 0.00 O ATOM 0 H SER A 33 2.831 2.579 8.852 1.00 0.00 H new ATOM 0 HA SER A 33 4.440 0.232 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.647 1.691 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.000 1.341 11.118 1.00 0.00 H new ATOM 0 HG SER A 33 3.238 -0.089 12.773 1.00 0.00 H new ATOM 444 N ILE A 34 2.787 -1.347 8.697 1.00 0.00 N ATOM 445 CA ILE A 34 1.901 -2.252 7.975 1.00 0.00 C ATOM 446 C ILE A 34 1.358 -3.340 8.895 1.00 0.00 C ATOM 447 O ILE A 34 1.853 -3.534 10.006 1.00 0.00 O ATOM 448 CB ILE A 34 2.621 -2.914 6.785 1.00 0.00 C ATOM 449 CG1 ILE A 34 3.900 -3.609 7.257 1.00 0.00 C ATOM 450 CG2 ILE A 34 2.937 -1.880 5.715 1.00 0.00 C ATOM 451 CD1 ILE A 34 4.298 -4.790 6.400 1.00 0.00 C ATOM 0 H ILE A 34 3.652 -1.776 9.026 1.00 0.00 H new ATOM 0 HA ILE A 34 1.073 -1.650 7.600 1.00 0.00 H new ATOM 0 HB ILE A 34 1.960 -3.665 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.715 -2.885 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.763 -3.946 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.446 -2.363 4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.011 -1.427 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.582 -1.108 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.213 -5.233 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.501 -5.533 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.468 -4.456 5.376 1.00 0.00 H new ATOM 463 N VAL A 35 0.337 -4.049 8.425 1.00 0.00 N ATOM 464 CA VAL A 35 -0.273 -5.121 9.204 1.00 0.00 C ATOM 465 C VAL A 35 -0.967 -6.132 8.299 1.00 0.00 C ATOM 466 O VAL A 35 -1.675 -5.760 7.364 1.00 0.00 O ATOM 467 CB VAL A 35 -1.294 -4.568 10.216 1.00 0.00 C ATOM 468 CG1 VAL A 35 -0.585 -3.837 11.346 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.290 -3.652 9.521 1.00 0.00 C ATOM 0 H VAL A 35 -0.086 -3.901 7.509 1.00 0.00 H new ATOM 0 HA VAL A 35 0.533 -5.616 9.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.843 -5.406 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.323 -3.454 12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.085 -4.526 11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.008 -3.007 10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.004 -3.270 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.759 -2.818 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.822 -4.211 8.751 1.00 0.00 H new ATOM 479 N GLY A 36 -0.760 -7.414 8.584 1.00 0.00 N ATOM 480 CA GLY A 36 -1.373 -8.460 7.787 1.00 0.00 C ATOM 481 C GLY A 36 -0.354 -9.266 7.006 1.00 0.00 C ATOM 482 O GLY A 36 0.825 -9.294 7.355 1.00 0.00 O ATOM 0 H GLY A 36 -0.178 -7.747 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.936 -9.127 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.087 -8.014 7.095 1.00 0.00 H new ATOM 486 N GLY A 37 -0.811 -9.927 5.946 1.00 0.00 N ATOM 487 CA GLY A 37 0.082 -10.731 5.132 1.00 0.00 C ATOM 488 C GLY A 37 -0.328 -12.190 5.089 1.00 0.00 C ATOM 489 O GLY A 37 -1.500 -12.508 4.885 1.00 0.00 O ATOM 0 H GLY A 37 -1.783 -9.920 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.102 -10.332 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.096 -10.653 5.525 1.00 0.00 H new ATOM 493 N LYS A 38 0.639 -13.081 5.280 1.00 0.00 N ATOM 494 CA LYS A 38 0.374 -14.514 5.262 1.00 0.00 C ATOM 495 C LYS A 38 -0.024 -15.012 6.648 1.00 0.00 C ATOM 496 O LYS A 38 0.128 -14.299 7.640 1.00 0.00 O ATOM 497 CB LYS A 38 1.608 -15.275 4.770 1.00 0.00 C ATOM 498 CG LYS A 38 1.752 -15.288 3.258 1.00 0.00 C ATOM 499 CD LYS A 38 3.210 -15.367 2.837 1.00 0.00 C ATOM 500 CE LYS A 38 3.797 -16.742 3.116 1.00 0.00 C ATOM 501 NZ LYS A 38 5.030 -16.990 2.319 1.00 0.00 N ATOM 0 H LYS A 38 1.614 -12.835 5.449 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.455 -14.696 4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.500 -14.826 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.559 -16.302 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.207 -16.138 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.300 -14.388 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.295 -15.143 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.785 -14.610 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.027 -16.830 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.056 -17.507 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.400 -17.937 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.806 -16.931 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.747 -16.275 2.557 1.00 0.00 H new ATOM 515 N ASP A 39 -0.532 -16.237 6.708 1.00 0.00 N ATOM 516 CA ASP A 39 -0.949 -16.831 7.973 1.00 0.00 C ATOM 517 C ASP A 39 -1.670 -15.806 8.842 1.00 0.00 C ATOM 518 O ASP A 39 -1.619 -15.871 10.071 1.00 0.00 O ATOM 519 CB ASP A 39 0.261 -17.392 8.721 1.00 0.00 C ATOM 520 CG ASP A 39 -0.134 -18.377 9.804 1.00 0.00 C ATOM 521 OD1 ASP A 39 -0.472 -19.529 9.463 1.00 0.00 O ATOM 522 OD2 ASP A 39 -0.105 -17.995 10.993 1.00 0.00 O ATOM 0 H ASP A 39 -0.665 -16.839 5.895 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.640 -17.645 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.927 -17.884 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.821 -16.571 9.168 1.00 0.00 H new ATOM 527 N THR A 40 -2.341 -14.857 8.197 1.00 0.00 N ATOM 528 CA THR A 40 -3.071 -13.816 8.910 1.00 0.00 C ATOM 529 C THR A 40 -4.522 -13.746 8.448 1.00 0.00 C ATOM 530 O THR A 40 -4.867 -14.163 7.342 1.00 0.00 O ATOM 531 CB THR A 40 -2.414 -12.436 8.716 1.00 0.00 C ATOM 532 OG1 THR A 40 -1.921 -12.313 7.378 1.00 0.00 O ATOM 533 CG2 THR A 40 -1.274 -12.235 9.703 1.00 0.00 C ATOM 0 H THR A 40 -2.394 -14.788 7.181 1.00 0.00 H new ATOM 0 HA THR A 40 -3.043 -14.078 9.968 1.00 0.00 H new ATOM 0 HB THR A 40 -3.168 -11.670 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.510 -12.803 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.826 -11.254 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.658 -12.300 10.721 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.520 -13.007 9.550 1.00 0.00 H new ATOM 541 N PRO A 41 -5.393 -13.205 9.312 1.00 0.00 N ATOM 542 CA PRO A 41 -6.822 -13.066 9.013 1.00 0.00 C ATOM 543 C PRO A 41 -7.090 -12.020 7.937 1.00 0.00 C ATOM 544 O PRO A 41 -8.240 -11.761 7.580 1.00 0.00 O ATOM 545 CB PRO A 41 -7.422 -12.624 10.350 1.00 0.00 C ATOM 546 CG PRO A 41 -6.299 -11.961 11.069 1.00 0.00 C ATOM 547 CD PRO A 41 -5.051 -12.687 10.647 1.00 0.00 C ATOM 0 HA PRO A 41 -7.249 -13.990 8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.257 -11.939 10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.805 -13.475 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.241 -10.903 10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.438 -12.019 12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.190 -12.019 10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.801 -13.492 11.338 1.00 0.00 H new ATOM 555 N LEU A 42 -6.022 -11.421 7.421 1.00 0.00 N ATOM 556 CA LEU A 42 -6.141 -10.403 6.384 1.00 0.00 C ATOM 557 C LEU A 42 -5.118 -10.630 5.276 1.00 0.00 C ATOM 558 O LEU A 42 -3.921 -10.419 5.470 1.00 0.00 O ATOM 559 CB LEU A 42 -5.956 -9.009 6.986 1.00 0.00 C ATOM 560 CG LEU A 42 -4.736 -8.825 7.889 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.342 -7.358 7.962 1.00 0.00 C ATOM 562 CD2 LEU A 42 -5.015 -9.373 9.281 1.00 0.00 C ATOM 0 H LEU A 42 -5.063 -11.623 7.704 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.139 -10.476 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.892 -8.289 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.849 -8.762 7.560 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.904 -9.383 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.472 -7.247 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.100 -6.996 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.172 -6.778 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.136 -9.233 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.861 -8.843 9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.248 -10.436 9.214 1.00 0.00 H new ATOM 574 N ASN A 43 -5.597 -11.061 4.114 1.00 0.00 N ATOM 575 CA ASN A 43 -4.724 -11.316 2.974 1.00 0.00 C ATOM 576 C ASN A 43 -4.458 -10.031 2.195 1.00 0.00 C ATOM 577 O ASN A 43 -4.212 -10.064 0.989 1.00 0.00 O ATOM 578 CB ASN A 43 -5.348 -12.365 2.052 1.00 0.00 C ATOM 579 CG ASN A 43 -6.494 -11.806 1.232 1.00 0.00 C ATOM 580 OD1 ASN A 43 -6.293 -11.297 0.129 1.00 0.00 O ATOM 581 ND2 ASN A 43 -7.706 -11.899 1.768 1.00 0.00 N ATOM 0 H ASN A 43 -6.585 -11.241 3.937 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.774 -11.694 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.583 -12.757 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.707 -13.202 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.516 -11.541 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.826 -12.329 2.685 1.00 0.00 H new ATOM 588 N ALA A 44 -4.509 -8.901 2.892 1.00 0.00 N ATOM 589 CA ALA A 44 -4.271 -7.606 2.267 1.00 0.00 C ATOM 590 C ALA A 44 -3.464 -6.694 3.184 1.00 0.00 C ATOM 591 O ALA A 44 -3.861 -6.431 4.319 1.00 0.00 O ATOM 592 CB ALA A 44 -5.592 -6.949 1.895 1.00 0.00 C ATOM 0 H ALA A 44 -4.713 -8.856 3.890 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.691 -7.770 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.399 -5.983 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.132 -7.588 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.193 -6.805 2.793 1.00 0.00 H new ATOM 598 N ILE A 45 -2.330 -6.214 2.685 1.00 0.00 N ATOM 599 CA ILE A 45 -1.468 -5.330 3.460 1.00 0.00 C ATOM 600 C ILE A 45 -2.145 -3.989 3.718 1.00 0.00 C ATOM 601 O ILE A 45 -2.540 -3.291 2.784 1.00 0.00 O ATOM 602 CB ILE A 45 -0.125 -5.086 2.747 1.00 0.00 C ATOM 603 CG1 ILE A 45 0.514 -6.417 2.345 1.00 0.00 C ATOM 604 CG2 ILE A 45 0.814 -4.291 3.642 1.00 0.00 C ATOM 605 CD1 ILE A 45 0.859 -7.302 3.522 1.00 0.00 C ATOM 0 H ILE A 45 -1.987 -6.422 1.747 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.280 -5.828 4.411 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.312 -4.506 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.168 -6.953 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.420 -6.218 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.759 -4.127 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.360 -3.330 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.997 -4.846 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.308 -8.228 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.565 -6.785 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.047 -7.532 4.082 1.00 0.00 H new ATOM 617 N VAL A 46 -2.275 -3.633 4.992 1.00 0.00 N ATOM 618 CA VAL A 46 -2.902 -2.373 5.374 1.00 0.00 C ATOM 619 C VAL A 46 -1.947 -1.509 6.190 1.00 0.00 C ATOM 620 O VAL A 46 -1.132 -2.022 6.958 1.00 0.00 O ATOM 621 CB VAL A 46 -4.186 -2.610 6.190 1.00 0.00 C ATOM 622 CG1 VAL A 46 -5.079 -1.379 6.151 1.00 0.00 C ATOM 623 CG2 VAL A 46 -4.928 -3.833 5.672 1.00 0.00 C ATOM 0 H VAL A 46 -1.954 -4.199 5.777 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.158 -1.854 4.450 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.907 -2.794 7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.981 -1.566 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.544 -0.528 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.352 -1.160 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.833 -3.986 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.196 -3.680 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.287 -4.711 5.758 1.00 0.00 H new ATOM 633 N ILE A 47 -2.053 -0.196 6.018 1.00 0.00 N ATOM 634 CA ILE A 47 -1.199 0.740 6.740 1.00 0.00 C ATOM 635 C ILE A 47 -1.744 1.015 8.137 1.00 0.00 C ATOM 636 O ILE A 47 -2.569 1.910 8.328 1.00 0.00 O ATOM 637 CB ILE A 47 -1.060 2.074 5.983 1.00 0.00 C ATOM 638 CG1 ILE A 47 -0.442 1.840 4.603 1.00 0.00 C ATOM 639 CG2 ILE A 47 -0.219 3.054 6.787 1.00 0.00 C ATOM 640 CD1 ILE A 47 -0.289 3.105 3.787 1.00 0.00 C ATOM 0 H ILE A 47 -2.721 0.244 5.385 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.217 0.274 6.821 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.053 2.503 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.537 1.376 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.062 1.134 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.130 3.992 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.697 3.240 7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.773 2.633 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.155 2.864 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.268 3.559 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.356 3.805 4.318 1.00 0.00 H new ATOM 652 N HIS A 48 -1.277 0.242 9.112 1.00 0.00 N ATOM 653 CA HIS A 48 -1.715 0.404 10.493 1.00 0.00 C ATOM 654 C HIS A 48 -1.571 1.855 10.942 1.00 0.00 C ATOM 655 O HIS A 48 -2.522 2.458 11.438 1.00 0.00 O ATOM 656 CB HIS A 48 -0.911 -0.511 11.417 1.00 0.00 C ATOM 657 CG HIS A 48 -0.837 -0.020 12.830 1.00 0.00 C ATOM 658 ND1 HIS A 48 -1.935 0.442 13.525 1.00 0.00 N ATOM 659 CD2 HIS A 48 0.213 0.078 13.679 1.00 0.00 C ATOM 660 CE1 HIS A 48 -1.563 0.804 14.740 1.00 0.00 C ATOM 661 NE2 HIS A 48 -0.265 0.593 14.859 1.00 0.00 N ATOM 0 H HIS A 48 -0.595 -0.503 8.971 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.768 0.128 10.549 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.358 -1.505 11.409 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.100 -0.613 11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.236 -0.197 13.468 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.211 1.205 15.506 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.292 0.782 15.692 1.00 0.00 H new ATOM 670 N GLU A 49 -0.375 2.408 10.766 1.00 0.00 N ATOM 671 CA GLU A 49 -0.106 3.787 11.155 1.00 0.00 C ATOM 672 C GLU A 49 0.957 4.409 10.254 1.00 0.00 C ATOM 673 O GLU A 49 1.616 3.714 9.481 1.00 0.00 O ATOM 674 CB GLU A 49 0.346 3.850 12.615 1.00 0.00 C ATOM 675 CG GLU A 49 1.850 3.727 12.792 1.00 0.00 C ATOM 676 CD GLU A 49 2.232 3.083 14.111 1.00 0.00 C ATOM 677 OE1 GLU A 49 2.141 3.765 15.152 1.00 0.00 O ATOM 678 OE2 GLU A 49 2.622 1.896 14.101 1.00 0.00 O ATOM 0 H GLU A 49 0.423 1.922 10.357 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.029 4.355 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.013 4.793 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.144 3.052 13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.262 3.138 11.972 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.301 4.717 12.731 1.00 0.00 H new ATOM 685 N VAL A 50 1.117 5.725 10.360 1.00 0.00 N ATOM 686 CA VAL A 50 2.100 6.442 9.557 1.00 0.00 C ATOM 687 C VAL A 50 2.984 7.326 10.429 1.00 0.00 C ATOM 688 O VAL A 50 2.683 8.500 10.648 1.00 0.00 O ATOM 689 CB VAL A 50 1.420 7.314 8.485 1.00 0.00 C ATOM 690 CG1 VAL A 50 2.461 7.994 7.609 1.00 0.00 C ATOM 691 CG2 VAL A 50 0.468 6.477 7.643 1.00 0.00 C ATOM 0 H VAL A 50 0.579 6.315 10.994 1.00 0.00 H new ATOM 0 HA VAL A 50 2.717 5.689 9.066 1.00 0.00 H new ATOM 0 HB VAL A 50 0.840 8.089 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.961 8.605 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.099 8.627 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.070 7.238 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.004 7.109 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.024 5.679 7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.299 6.042 8.284 1.00 0.00 H new ATOM 701 N TYR A 51 4.076 6.755 10.925 1.00 0.00 N ATOM 702 CA TYR A 51 5.004 7.491 11.776 1.00 0.00 C ATOM 703 C TYR A 51 5.092 8.953 11.349 1.00 0.00 C ATOM 704 O TYR A 51 5.278 9.257 10.172 1.00 0.00 O ATOM 705 CB TYR A 51 6.391 6.850 11.728 1.00 0.00 C ATOM 706 CG TYR A 51 6.378 5.358 11.978 1.00 0.00 C ATOM 707 CD1 TYR A 51 5.235 4.723 12.449 1.00 0.00 C ATOM 708 CD2 TYR A 51 7.508 4.585 11.746 1.00 0.00 C ATOM 709 CE1 TYR A 51 5.219 3.362 12.680 1.00 0.00 C ATOM 710 CE2 TYR A 51 7.500 3.222 11.972 1.00 0.00 C ATOM 711 CZ TYR A 51 6.353 2.615 12.440 1.00 0.00 C ATOM 712 OH TYR A 51 6.342 1.258 12.668 1.00 0.00 O ATOM 0 H TYR A 51 4.340 5.785 10.753 1.00 0.00 H new ATOM 0 HA TYR A 51 4.628 7.452 12.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.837 7.043 10.752 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.029 7.329 12.471 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.344 5.304 12.637 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.409 5.057 11.383 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.322 2.885 13.047 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.387 2.635 11.783 1.00 0.00 H new ATOM 0 HH TYR A 51 7.220 0.882 12.448 1.00 0.00 H new ATOM 722 N GLU A 52 4.957 9.854 12.317 1.00 0.00 N ATOM 723 CA GLU A 52 5.022 11.285 12.043 1.00 0.00 C ATOM 724 C GLU A 52 6.469 11.764 11.987 1.00 0.00 C ATOM 725 O GLU A 52 6.736 12.938 11.734 1.00 0.00 O ATOM 726 CB GLU A 52 4.255 12.067 13.111 1.00 0.00 C ATOM 727 CG GLU A 52 3.025 11.343 13.631 1.00 0.00 C ATOM 728 CD GLU A 52 1.944 12.294 14.104 1.00 0.00 C ATOM 729 OE1 GLU A 52 2.278 13.264 14.817 1.00 0.00 O ATOM 730 OE2 GLU A 52 0.764 12.070 13.762 1.00 0.00 O ATOM 0 H GLU A 52 4.802 9.619 13.297 1.00 0.00 H new ATOM 0 HA GLU A 52 4.561 11.463 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.923 12.276 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.952 13.029 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.623 10.706 12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.314 10.689 14.454 1.00 0.00 H new ATOM 737 N GLU A 53 7.400 10.845 12.224 1.00 0.00 N ATOM 738 CA GLU A 53 8.821 11.174 12.202 1.00 0.00 C ATOM 739 C GLU A 53 9.533 10.432 11.075 1.00 0.00 C ATOM 740 O GLU A 53 10.580 9.820 11.284 1.00 0.00 O ATOM 741 CB GLU A 53 9.468 10.827 13.544 1.00 0.00 C ATOM 742 CG GLU A 53 9.085 9.453 14.068 1.00 0.00 C ATOM 743 CD GLU A 53 9.976 8.993 15.206 1.00 0.00 C ATOM 744 OE1 GLU A 53 11.213 9.049 15.052 1.00 0.00 O ATOM 745 OE2 GLU A 53 9.434 8.578 16.252 1.00 0.00 O ATOM 0 H GLU A 53 7.196 9.868 12.433 1.00 0.00 H new ATOM 0 HA GLU A 53 8.917 12.245 12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.552 10.877 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.184 11.579 14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.050 9.474 14.408 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.139 8.730 13.254 1.00 0.00 H new ATOM 752 N GLY A 54 8.957 10.492 9.878 1.00 0.00 N ATOM 753 CA GLY A 54 9.549 9.822 8.735 1.00 0.00 C ATOM 754 C GLY A 54 9.149 10.457 7.418 1.00 0.00 C ATOM 755 O GLY A 54 8.513 11.511 7.398 1.00 0.00 O ATOM 0 H GLY A 54 8.091 10.993 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.635 9.841 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.248 8.774 8.736 1.00 0.00 H new ATOM 759 N ALA A 55 9.522 9.816 6.316 1.00 0.00 N ATOM 760 CA ALA A 55 9.198 10.325 4.989 1.00 0.00 C ATOM 761 C ALA A 55 7.723 10.110 4.664 1.00 0.00 C ATOM 762 O ALA A 55 7.039 11.025 4.208 1.00 0.00 O ATOM 763 CB ALA A 55 10.074 9.658 3.939 1.00 0.00 C ATOM 0 H ALA A 55 10.049 8.943 6.316 1.00 0.00 H new ATOM 0 HA ALA A 55 9.393 11.397 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.821 10.048 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.122 9.867 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.907 8.581 3.957 1.00 0.00 H new ATOM 769 N ALA A 56 7.240 8.895 4.903 1.00 0.00 N ATOM 770 CA ALA A 56 5.847 8.561 4.637 1.00 0.00 C ATOM 771 C ALA A 56 4.915 9.668 5.120 1.00 0.00 C ATOM 772 O ALA A 56 3.945 10.013 4.447 1.00 0.00 O ATOM 773 CB ALA A 56 5.486 7.239 5.297 1.00 0.00 C ATOM 0 H ALA A 56 7.793 8.126 5.280 1.00 0.00 H new ATOM 0 HA ALA A 56 5.722 8.462 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.442 7.002 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.123 6.448 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.633 7.318 6.374 1.00 0.00 H new ATOM 779 N ALA A 57 5.217 10.219 6.291 1.00 0.00 N ATOM 780 CA ALA A 57 4.407 11.288 6.863 1.00 0.00 C ATOM 781 C ALA A 57 4.545 12.574 6.056 1.00 0.00 C ATOM 782 O ALA A 57 3.552 13.138 5.595 1.00 0.00 O ATOM 783 CB ALA A 57 4.800 11.528 8.313 1.00 0.00 C ATOM 0 H ALA A 57 6.016 9.943 6.862 1.00 0.00 H new ATOM 0 HA ALA A 57 3.363 10.978 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.188 12.329 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.643 10.616 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.851 11.812 8.363 1.00 0.00 H new ATOM 789 N ARG A 58 5.781 13.032 5.888 1.00 0.00 N ATOM 790 CA ARG A 58 6.047 14.253 5.137 1.00 0.00 C ATOM 791 C ARG A 58 5.178 14.322 3.885 1.00 0.00 C ATOM 792 O ARG A 58 4.829 15.407 3.418 1.00 0.00 O ATOM 793 CB ARG A 58 7.525 14.327 4.750 1.00 0.00 C ATOM 794 CG ARG A 58 8.469 14.288 5.940 1.00 0.00 C ATOM 795 CD ARG A 58 8.539 15.636 6.641 1.00 0.00 C ATOM 796 NE ARG A 58 9.314 16.610 5.878 1.00 0.00 N ATOM 797 CZ ARG A 58 9.629 17.817 6.333 1.00 0.00 C ATOM 798 NH1 ARG A 58 9.237 18.197 7.542 1.00 0.00 N ATOM 799 NH2 ARG A 58 10.337 18.648 5.580 1.00 0.00 N ATOM 0 H ARG A 58 6.614 12.576 6.262 1.00 0.00 H new ATOM 0 HA ARG A 58 5.802 15.102 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.759 13.497 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.699 15.245 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.135 13.527 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.465 13.998 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.530 16.017 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.986 15.509 7.627 1.00 0.00 H new ATOM 0 HE ARG A 58 9.631 16.349 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.692 17.561 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.480 19.125 7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.640 18.360 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.578 19.575 5.931 1.00 0.00 H new ATOM 813 N ASP A 59 4.833 13.158 3.346 1.00 0.00 N ATOM 814 CA ASP A 59 4.004 13.086 2.148 1.00 0.00 C ATOM 815 C ASP A 59 2.522 13.113 2.510 1.00 0.00 C ATOM 816 O ASP A 59 1.764 13.937 2.000 1.00 0.00 O ATOM 817 CB ASP A 59 4.325 11.817 1.356 1.00 0.00 C ATOM 818 CG ASP A 59 4.106 11.994 -0.134 1.00 0.00 C ATOM 819 OD1 ASP A 59 4.679 12.943 -0.708 1.00 0.00 O ATOM 820 OD2 ASP A 59 3.362 11.184 -0.725 1.00 0.00 O ATOM 0 H ASP A 59 5.114 12.251 3.719 1.00 0.00 H new ATOM 0 HA ASP A 59 4.225 13.957 1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.361 11.532 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.702 10.999 1.717 1.00 0.00 H new ATOM 825 N GLY A 60 2.117 12.206 3.393 1.00 0.00 N ATOM 826 CA GLY A 60 0.727 12.143 3.807 1.00 0.00 C ATOM 827 C GLY A 60 -0.111 11.271 2.893 1.00 0.00 C ATOM 828 O GLY A 60 -1.067 10.634 3.337 1.00 0.00 O ATOM 0 H GLY A 60 2.726 11.514 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.671 11.756 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.311 13.150 3.826 1.00 0.00 H new ATOM 832 N ARG A 61 0.246 11.243 1.613 1.00 0.00 N ATOM 833 CA ARG A 61 -0.482 10.445 0.634 1.00 0.00 C ATOM 834 C ARG A 61 -0.962 9.134 1.250 1.00 0.00 C ATOM 835 O ARG A 61 -2.130 8.765 1.118 1.00 0.00 O ATOM 836 CB ARG A 61 0.403 10.156 -0.580 1.00 0.00 C ATOM 837 CG ARG A 61 0.562 11.344 -1.514 1.00 0.00 C ATOM 838 CD ARG A 61 -0.643 11.499 -2.428 1.00 0.00 C ATOM 839 NE ARG A 61 -1.816 11.988 -1.708 1.00 0.00 N ATOM 840 CZ ARG A 61 -2.048 13.274 -1.467 1.00 0.00 C ATOM 841 NH1 ARG A 61 -1.191 14.195 -1.887 1.00 0.00 N ATOM 842 NH2 ARG A 61 -3.138 13.640 -0.806 1.00 0.00 N ATOM 0 H ARG A 61 1.035 11.764 1.230 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.353 11.016 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.388 9.842 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.021 9.321 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.695 12.254 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.462 11.218 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.399 12.189 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.875 10.539 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.494 11.305 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.352 13.917 -2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.371 15.182 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.799 12.934 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.315 14.627 -0.622 1.00 0.00 H new ATOM 856 N LEU A 62 -0.055 8.435 1.923 1.00 0.00 N ATOM 857 CA LEU A 62 -0.385 7.165 2.560 1.00 0.00 C ATOM 858 C LEU A 62 -1.147 7.390 3.862 1.00 0.00 C ATOM 859 O LEU A 62 -0.679 8.102 4.751 1.00 0.00 O ATOM 860 CB LEU A 62 0.888 6.362 2.833 1.00 0.00 C ATOM 861 CG LEU A 62 1.523 5.678 1.622 1.00 0.00 C ATOM 862 CD1 LEU A 62 2.730 4.855 2.045 1.00 0.00 C ATOM 863 CD2 LEU A 62 0.502 4.803 0.908 1.00 0.00 C ATOM 0 H LEU A 62 0.915 8.726 2.042 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.024 6.601 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.627 7.030 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.660 5.599 3.578 1.00 0.00 H new ATOM 0 HG LEU A 62 1.860 6.449 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.168 4.376 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.469 5.506 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.418 4.092 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.971 4.324 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.135 4.039 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.332 5.419 0.570 1.00 0.00 H new ATOM 875 N TRP A 63 -2.321 6.778 3.967 1.00 0.00 N ATOM 876 CA TRP A 63 -3.146 6.910 5.162 1.00 0.00 C ATOM 877 C TRP A 63 -3.036 5.668 6.040 1.00 0.00 C ATOM 878 O TRP A 63 -2.440 4.668 5.644 1.00 0.00 O ATOM 879 CB TRP A 63 -4.607 7.148 4.775 1.00 0.00 C ATOM 880 CG TRP A 63 -4.825 8.439 4.045 1.00 0.00 C ATOM 881 CD1 TRP A 63 -3.865 9.255 3.518 1.00 0.00 C ATOM 882 CD2 TRP A 63 -6.083 9.063 3.765 1.00 0.00 C ATOM 883 NE1 TRP A 63 -4.450 10.348 2.926 1.00 0.00 N ATOM 884 CE2 TRP A 63 -5.810 10.254 3.064 1.00 0.00 C ATOM 885 CE3 TRP A 63 -7.412 8.731 4.036 1.00 0.00 C ATOM 886 CZ2 TRP A 63 -6.818 11.111 2.633 1.00 0.00 C ATOM 887 CZ3 TRP A 63 -8.412 9.583 3.608 1.00 0.00 C ATOM 888 CH2 TRP A 63 -8.111 10.761 2.912 1.00 0.00 C ATOM 0 H TRP A 63 -2.723 6.186 3.240 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.784 7.767 5.730 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.949 6.323 4.150 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.220 7.140 5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -2.802 9.068 3.560 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.953 11.106 2.459 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.654 7.824 4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -6.588 12.020 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -9.443 9.337 3.813 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -8.915 11.405 2.589 1.00 0.00 H new ATOM 899 N ALA A 64 -3.616 5.739 7.234 1.00 0.00 N ATOM 900 CA ALA A 64 -3.585 4.619 8.166 1.00 0.00 C ATOM 901 C ALA A 64 -4.741 3.659 7.910 1.00 0.00 C ATOM 902 O ALA A 64 -5.160 2.923 8.803 1.00 0.00 O ATOM 903 CB ALA A 64 -3.625 5.125 9.601 1.00 0.00 C ATOM 0 H ALA A 64 -4.113 6.561 7.578 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.654 4.075 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.601 4.278 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.762 5.765 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.540 5.695 9.760 1.00 0.00 H new ATOM 909 N GLY A 65 -5.254 3.671 6.683 1.00 0.00 N ATOM 910 CA GLY A 65 -6.358 2.797 6.332 1.00 0.00 C ATOM 911 C GLY A 65 -6.332 2.389 4.872 1.00 0.00 C ATOM 912 O GLY A 65 -7.320 1.875 4.347 1.00 0.00 O ATOM 0 H GLY A 65 -4.925 4.270 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.323 1.904 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.300 3.301 6.549 1.00 0.00 H new ATOM 916 N ASP A 66 -5.201 2.620 4.214 1.00 0.00 N ATOM 917 CA ASP A 66 -5.051 2.274 2.806 1.00 0.00 C ATOM 918 C ASP A 66 -4.704 0.797 2.643 1.00 0.00 C ATOM 919 O ASP A 66 -4.546 0.076 3.628 1.00 0.00 O ATOM 920 CB ASP A 66 -3.969 3.139 2.158 1.00 0.00 C ATOM 921 CG ASP A 66 -4.487 4.505 1.750 1.00 0.00 C ATOM 922 OD1 ASP A 66 -5.621 4.579 1.233 1.00 0.00 O ATOM 923 OD2 ASP A 66 -3.758 5.499 1.948 1.00 0.00 O ATOM 0 H ASP A 66 -4.375 3.046 4.634 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.002 2.463 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.140 3.261 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.575 2.626 1.281 1.00 0.00 H new ATOM 928 N GLN A 67 -4.589 0.356 1.395 1.00 0.00 N ATOM 929 CA GLN A 67 -4.262 -1.035 1.105 1.00 0.00 C ATOM 930 C GLN A 67 -3.216 -1.130 -0.001 1.00 0.00 C ATOM 931 O GLN A 67 -3.489 -0.803 -1.157 1.00 0.00 O ATOM 932 CB GLN A 67 -5.522 -1.803 0.698 1.00 0.00 C ATOM 933 CG GLN A 67 -6.272 -2.407 1.874 1.00 0.00 C ATOM 934 CD GLN A 67 -7.646 -2.919 1.489 1.00 0.00 C ATOM 935 OE1 GLN A 67 -8.664 -2.325 1.845 1.00 0.00 O ATOM 936 NE2 GLN A 67 -7.682 -4.026 0.756 1.00 0.00 N ATOM 0 H GLN A 67 -4.717 0.941 0.569 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.849 -1.481 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.189 -1.130 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.245 -2.599 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.687 -3.227 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.375 -1.657 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.813 -4.486 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.578 -4.416 0.466 1.00 0.00 H new ATOM 945 N ILE A 68 -2.018 -1.577 0.361 1.00 0.00 N ATOM 946 CA ILE A 68 -0.932 -1.714 -0.601 1.00 0.00 C ATOM 947 C ILE A 68 -1.040 -3.027 -1.369 1.00 0.00 C ATOM 948 O ILE A 68 -1.606 -4.003 -0.875 1.00 0.00 O ATOM 949 CB ILE A 68 0.443 -1.648 0.089 1.00 0.00 C ATOM 950 CG1 ILE A 68 0.594 -0.329 0.849 1.00 0.00 C ATOM 951 CG2 ILE A 68 1.558 -1.808 -0.934 1.00 0.00 C ATOM 952 CD1 ILE A 68 -0.031 -0.348 2.226 1.00 0.00 C ATOM 0 H ILE A 68 -1.775 -1.850 1.313 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.021 -0.880 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 68 0.514 -2.467 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.654 -0.093 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.140 0.471 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.524 -1.759 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.458 -2.771 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.493 -1.008 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.115 0.620 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.098 -0.552 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.439 -1.126 2.828 1.00 0.00 H new ATOM 964 N LEU A 69 -0.493 -3.045 -2.579 1.00 0.00 N ATOM 965 CA LEU A 69 -0.526 -4.240 -3.416 1.00 0.00 C ATOM 966 C LEU A 69 0.879 -4.629 -3.866 1.00 0.00 C ATOM 967 O LEU A 69 1.202 -5.811 -3.969 1.00 0.00 O ATOM 968 CB LEU A 69 -1.418 -4.007 -4.637 1.00 0.00 C ATOM 969 CG LEU A 69 -2.879 -3.664 -4.344 1.00 0.00 C ATOM 970 CD1 LEU A 69 -3.552 -3.096 -5.584 1.00 0.00 C ATOM 971 CD2 LEU A 69 -3.626 -4.893 -3.846 1.00 0.00 C ATOM 0 H LEU A 69 -0.021 -2.246 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.937 -5.057 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.987 -3.199 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.393 -4.903 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.905 -2.906 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.591 -2.858 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.032 -2.191 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.516 -3.832 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.664 -4.630 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.592 -5.673 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.158 -5.257 -2.931 1.00 0.00 H new ATOM 983 N GLU A 70 1.710 -3.625 -4.129 1.00 0.00 N ATOM 984 CA GLU A 70 3.080 -3.863 -4.566 1.00 0.00 C ATOM 985 C GLU A 70 4.005 -2.746 -4.091 1.00 0.00 C ATOM 986 O GLU A 70 3.594 -1.591 -3.977 1.00 0.00 O ATOM 987 CB GLU A 70 3.141 -3.976 -6.091 1.00 0.00 C ATOM 988 CG GLU A 70 4.298 -4.822 -6.593 1.00 0.00 C ATOM 989 CD GLU A 70 4.094 -5.304 -8.016 1.00 0.00 C ATOM 990 OE1 GLU A 70 3.072 -5.974 -8.274 1.00 0.00 O ATOM 991 OE2 GLU A 70 4.955 -5.012 -8.872 1.00 0.00 O ATOM 0 H GLU A 70 1.458 -2.640 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 70 3.416 -4.802 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.206 -4.403 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.221 -2.976 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.218 -4.241 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.425 -5.683 -5.937 1.00 0.00 H new ATOM 998 N VAL A 71 5.256 -3.099 -3.813 1.00 0.00 N ATOM 999 CA VAL A 71 6.239 -2.128 -3.350 1.00 0.00 C ATOM 1000 C VAL A 71 7.574 -2.314 -4.063 1.00 0.00 C ATOM 1001 O VAL A 71 8.053 -3.436 -4.221 1.00 0.00 O ATOM 1002 CB VAL A 71 6.463 -2.235 -1.830 1.00 0.00 C ATOM 1003 CG1 VAL A 71 6.865 -3.652 -1.448 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.512 -1.233 -1.373 1.00 0.00 C ATOM 0 H VAL A 71 5.612 -4.051 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 71 5.840 -1.140 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 71 5.526 -2.000 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.019 -3.709 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.075 -4.345 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.789 -3.919 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.657 -1.323 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.454 -1.434 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.178 -0.223 -1.611 1.00 0.00 H new ATOM 1014 N ASN A 72 8.170 -1.206 -4.492 1.00 0.00 N ATOM 1015 CA ASN A 72 9.450 -1.248 -5.189 1.00 0.00 C ATOM 1016 C ASN A 72 9.504 -2.424 -6.159 1.00 0.00 C ATOM 1017 O ASN A 72 10.536 -3.079 -6.301 1.00 0.00 O ATOM 1018 CB ASN A 72 10.599 -1.348 -4.184 1.00 0.00 C ATOM 1019 CG ASN A 72 11.871 -0.700 -4.693 1.00 0.00 C ATOM 1020 OD1 ASN A 72 11.814 0.604 -4.938 1.00 0.00 O flip ATOM 1021 ND2 ASN A 72 12.894 -1.363 -4.864 1.00 0.00 N flip ATOM 0 H ASN A 72 7.787 -0.269 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 72 9.554 -0.325 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.302 -0.874 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.793 -2.397 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.893 -2.363 -4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.742 -0.912 -5.207 1.00 0.00 H new ATOM 1028 N GLY A 73 8.383 -2.687 -6.825 1.00 0.00 N ATOM 1029 CA GLY A 73 8.324 -3.784 -7.773 1.00 0.00 C ATOM 1030 C GLY A 73 8.367 -5.140 -7.095 1.00 0.00 C ATOM 1031 O GLY A 73 9.057 -6.050 -7.555 1.00 0.00 O ATOM 0 H GLY A 73 7.515 -2.160 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.409 -3.704 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.158 -3.703 -8.470 1.00 0.00 H new ATOM 1035 N VAL A 74 7.629 -5.275 -5.998 1.00 0.00 N ATOM 1036 CA VAL A 74 7.587 -6.528 -5.255 1.00 0.00 C ATOM 1037 C VAL A 74 6.179 -6.820 -4.749 1.00 0.00 C ATOM 1038 O VAL A 74 5.698 -6.176 -3.815 1.00 0.00 O ATOM 1039 CB VAL A 74 8.556 -6.505 -4.058 1.00 0.00 C ATOM 1040 CG1 VAL A 74 8.462 -7.801 -3.269 1.00 0.00 C ATOM 1041 CG2 VAL A 74 9.981 -6.262 -4.532 1.00 0.00 C ATOM 0 H VAL A 74 7.052 -4.532 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 74 7.893 -7.314 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 74 8.271 -5.685 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.154 -7.766 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.445 -7.928 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.719 -8.640 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.653 -6.249 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.279 -7.059 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.034 -5.304 -5.049 1.00 0.00 H new ATOM 1051 N ASP A 75 5.522 -7.793 -5.370 1.00 0.00 N ATOM 1052 CA ASP A 75 4.168 -8.172 -4.981 1.00 0.00 C ATOM 1053 C ASP A 75 4.062 -8.331 -3.468 1.00 0.00 C ATOM 1054 O ASP A 75 4.917 -8.953 -2.837 1.00 0.00 O ATOM 1055 CB ASP A 75 3.761 -9.473 -5.673 1.00 0.00 C ATOM 1056 CG ASP A 75 2.375 -9.935 -5.270 1.00 0.00 C ATOM 1057 OD1 ASP A 75 1.456 -9.090 -5.232 1.00 0.00 O ATOM 1058 OD2 ASP A 75 2.209 -11.141 -4.992 1.00 0.00 O ATOM 0 H ASP A 75 5.905 -8.334 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 75 3.491 -7.377 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.794 -9.332 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.485 -10.251 -5.431 1.00 0.00 H new ATOM 1063 N LEU A 76 3.008 -7.763 -2.891 1.00 0.00 N ATOM 1064 CA LEU A 76 2.790 -7.841 -1.451 1.00 0.00 C ATOM 1065 C LEU A 76 1.448 -8.495 -1.138 1.00 0.00 C ATOM 1066 O LEU A 76 1.216 -8.957 -0.021 1.00 0.00 O ATOM 1067 CB LEU A 76 2.846 -6.444 -0.831 1.00 0.00 C ATOM 1068 CG LEU A 76 4.159 -5.681 -1.013 1.00 0.00 C ATOM 1069 CD1 LEU A 76 4.009 -4.242 -0.545 1.00 0.00 C ATOM 1070 CD2 LEU A 76 5.287 -6.373 -0.262 1.00 0.00 C ATOM 0 H LEU A 76 2.292 -7.244 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 76 3.581 -8.455 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.040 -5.847 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.646 -6.534 0.237 1.00 0.00 H new ATOM 0 HG LEU A 76 4.408 -5.673 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.953 -3.715 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.230 -3.749 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.736 -4.229 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.213 -5.816 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.046 -6.413 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.411 -7.386 -0.645 1.00 0.00 H new ATOM 1082 N ARG A 77 0.567 -8.533 -2.133 1.00 0.00 N ATOM 1083 CA ARG A 77 -0.751 -9.131 -1.965 1.00 0.00 C ATOM 1084 C ARG A 77 -0.666 -10.408 -1.134 1.00 0.00 C ATOM 1085 O ARG A 77 -1.463 -10.621 -0.221 1.00 0.00 O ATOM 1086 CB ARG A 77 -1.374 -9.438 -3.328 1.00 0.00 C ATOM 1087 CG ARG A 77 -1.959 -8.217 -4.019 1.00 0.00 C ATOM 1088 CD ARG A 77 -2.131 -8.450 -5.511 1.00 0.00 C ATOM 1089 NE ARG A 77 -3.136 -7.564 -6.091 1.00 0.00 N ATOM 1090 CZ ARG A 77 -3.222 -7.300 -7.390 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -2.366 -7.851 -8.240 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -4.165 -6.483 -7.842 1.00 0.00 N ATOM 0 H ARG A 77 0.743 -8.156 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.382 -8.415 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.616 -9.882 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.159 -10.183 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.924 -7.973 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.307 -7.359 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.177 -8.295 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.418 -9.487 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.809 -7.123 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.639 -8.479 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.434 -7.647 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.825 -6.057 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.230 -6.281 -8.840 1.00 0.00 H new ATOM 1106 N ASN A 78 0.305 -11.256 -1.458 1.00 0.00 N ATOM 1107 CA ASN A 78 0.493 -12.512 -0.742 1.00 0.00 C ATOM 1108 C ASN A 78 1.889 -12.586 -0.130 1.00 0.00 C ATOM 1109 O ASN A 78 2.614 -13.561 -0.328 1.00 0.00 O ATOM 1110 CB ASN A 78 0.274 -13.698 -1.684 1.00 0.00 C ATOM 1111 CG ASN A 78 -0.083 -14.970 -0.940 1.00 0.00 C ATOM 1112 OD1 ASN A 78 -0.860 -14.946 0.015 1.00 0.00 O ATOM 1113 ND2 ASN A 78 0.486 -16.089 -1.374 1.00 0.00 N ATOM 0 H ASN A 78 0.973 -11.096 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.240 -12.555 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.522 -13.457 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.178 -13.865 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.285 -16.976 -0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.124 -16.061 -2.169 1.00 0.00 H new ATOM 1120 N SER A 79 2.259 -11.549 0.614 1.00 0.00 N ATOM 1121 CA SER A 79 3.569 -11.494 1.252 1.00 0.00 C ATOM 1122 C SER A 79 3.444 -11.659 2.763 1.00 0.00 C ATOM 1123 O SER A 79 2.447 -11.257 3.362 1.00 0.00 O ATOM 1124 CB SER A 79 4.263 -10.170 0.927 1.00 0.00 C ATOM 1125 OG SER A 79 3.387 -9.073 1.125 1.00 0.00 O ATOM 0 H SER A 79 1.670 -10.735 0.790 1.00 0.00 H new ATOM 0 HA SER A 79 4.170 -12.316 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.145 -10.054 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.609 -10.181 -0.107 1.00 0.00 H new ATOM 0 HG SER A 79 2.464 -9.357 0.957 1.00 0.00 H new ATOM 1131 N SER A 80 4.464 -12.253 3.374 1.00 0.00 N ATOM 1132 CA SER A 80 4.469 -12.476 4.815 1.00 0.00 C ATOM 1133 C SER A 80 4.566 -11.153 5.568 1.00 0.00 C ATOM 1134 O SER A 80 5.364 -10.283 5.218 1.00 0.00 O ATOM 1135 CB SER A 80 5.633 -13.387 5.208 1.00 0.00 C ATOM 1136 OG SER A 80 5.284 -14.752 5.064 1.00 0.00 O ATOM 0 H SER A 80 5.298 -12.589 2.893 1.00 0.00 H new ATOM 0 HA SER A 80 3.531 -12.961 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.500 -13.163 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.921 -13.189 6.240 1.00 0.00 H new ATOM 0 HG SER A 80 6.046 -15.313 5.320 1.00 0.00 H new ATOM 1142 N HIS A 81 3.747 -11.008 6.605 1.00 0.00 N ATOM 1143 CA HIS A 81 3.740 -9.791 7.410 1.00 0.00 C ATOM 1144 C HIS A 81 5.144 -9.203 7.518 1.00 0.00 C ATOM 1145 O HIS A 81 5.322 -7.987 7.470 1.00 0.00 O ATOM 1146 CB HIS A 81 3.188 -10.081 8.806 1.00 0.00 C ATOM 1147 CG HIS A 81 3.202 -8.890 9.715 1.00 0.00 C ATOM 1148 ND1 HIS A 81 3.773 -8.710 10.929 1.00 0.00 N flip ATOM 1149 CD2 HIS A 81 2.574 -7.702 9.408 1.00 0.00 C flip ATOM 1150 CE1 HIS A 81 3.483 -7.429 11.329 1.00 0.00 C flip ATOM 1151 NE2 HIS A 81 2.759 -6.842 10.394 1.00 0.00 N flip ATOM 0 H HIS A 81 3.080 -11.718 6.908 1.00 0.00 H new ATOM 0 HA HIS A 81 3.097 -9.062 6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.165 -10.446 8.715 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.773 -10.881 9.260 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.317 -9.398 11.450 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.018 -7.505 8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.796 -6.975 12.258 1.00 0.00 H new ATOM 1160 N GLU A 82 6.137 -10.076 7.664 1.00 0.00 N ATOM 1161 CA GLU A 82 7.524 -9.641 7.780 1.00 0.00 C ATOM 1162 C GLU A 82 8.095 -9.275 6.414 1.00 0.00 C ATOM 1163 O GLU A 82 8.709 -8.221 6.249 1.00 0.00 O ATOM 1164 CB GLU A 82 8.373 -10.740 8.423 1.00 0.00 C ATOM 1165 CG GLU A 82 8.382 -10.692 9.942 1.00 0.00 C ATOM 1166 CD GLU A 82 9.202 -11.810 10.556 1.00 0.00 C ATOM 1167 OE1 GLU A 82 8.785 -12.982 10.447 1.00 0.00 O ATOM 1168 OE2 GLU A 82 10.262 -11.513 11.145 1.00 0.00 O ATOM 0 H GLU A 82 6.007 -11.087 7.705 1.00 0.00 H new ATOM 0 HA GLU A 82 7.549 -8.755 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.999 -11.712 8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.397 -10.656 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.781 -9.732 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.358 -10.753 10.310 1.00 0.00 H new ATOM 1175 N GLU A 83 7.890 -10.154 5.438 1.00 0.00 N ATOM 1176 CA GLU A 83 8.386 -9.924 4.086 1.00 0.00 C ATOM 1177 C GLU A 83 8.100 -8.494 3.638 1.00 0.00 C ATOM 1178 O GLU A 83 8.986 -7.798 3.144 1.00 0.00 O ATOM 1179 CB GLU A 83 7.748 -10.914 3.109 1.00 0.00 C ATOM 1180 CG GLU A 83 8.516 -12.218 2.975 1.00 0.00 C ATOM 1181 CD GLU A 83 9.848 -12.041 2.273 1.00 0.00 C ATOM 1182 OE1 GLU A 83 9.844 -11.793 1.049 1.00 0.00 O ATOM 1183 OE2 GLU A 83 10.893 -12.151 2.946 1.00 0.00 O ATOM 0 H GLU A 83 7.384 -11.032 5.558 1.00 0.00 H new ATOM 0 HA GLU A 83 9.465 -10.076 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.732 -11.133 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.671 -10.445 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.685 -12.639 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.911 -12.937 2.422 1.00 0.00 H new ATOM 1190 N ALA A 84 6.855 -8.063 3.814 1.00 0.00 N ATOM 1191 CA ALA A 84 6.452 -6.716 3.429 1.00 0.00 C ATOM 1192 C ALA A 84 7.299 -5.665 4.139 1.00 0.00 C ATOM 1193 O ALA A 84 7.633 -4.630 3.561 1.00 0.00 O ATOM 1194 CB ALA A 84 4.977 -6.500 3.733 1.00 0.00 C ATOM 0 H ALA A 84 6.109 -8.627 4.221 1.00 0.00 H new ATOM 0 HA ALA A 84 6.611 -6.609 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.689 -5.490 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.381 -7.223 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.802 -6.632 4.801 1.00 0.00 H new ATOM 1200 N ILE A 85 7.644 -5.937 5.393 1.00 0.00 N ATOM 1201 CA ILE A 85 8.453 -5.015 6.180 1.00 0.00 C ATOM 1202 C ILE A 85 9.840 -4.844 5.571 1.00 0.00 C ATOM 1203 O ILE A 85 10.328 -3.725 5.414 1.00 0.00 O ATOM 1204 CB ILE A 85 8.599 -5.496 7.636 1.00 0.00 C ATOM 1205 CG1 ILE A 85 7.225 -5.811 8.232 1.00 0.00 C ATOM 1206 CG2 ILE A 85 9.317 -4.447 8.471 1.00 0.00 C ATOM 1207 CD1 ILE A 85 6.555 -4.614 8.870 1.00 0.00 C ATOM 0 H ILE A 85 7.376 -6.789 5.886 1.00 0.00 H new ATOM 0 HA ILE A 85 7.935 -4.056 6.173 1.00 0.00 H new ATOM 0 HB ILE A 85 9.195 -6.408 7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.579 -6.204 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.333 -6.598 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.412 -4.802 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.309 -4.267 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.745 -3.519 8.460 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.586 -4.910 9.271 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.181 -4.234 9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.415 -3.834 8.122 1.00 0.00 H new ATOM 1219 N THR A 86 10.472 -5.963 5.228 1.00 0.00 N ATOM 1220 CA THR A 86 11.803 -5.938 4.636 1.00 0.00 C ATOM 1221 C THR A 86 11.796 -5.209 3.297 1.00 0.00 C ATOM 1222 O THR A 86 12.731 -4.478 2.972 1.00 0.00 O ATOM 1223 CB THR A 86 12.353 -7.362 4.429 1.00 0.00 C ATOM 1224 OG1 THR A 86 12.402 -8.054 5.682 1.00 0.00 O ATOM 1225 CG2 THR A 86 13.743 -7.321 3.812 1.00 0.00 C ATOM 0 H THR A 86 10.083 -6.898 5.350 1.00 0.00 H new ATOM 0 HA THR A 86 12.449 -5.405 5.334 1.00 0.00 H new ATOM 0 HB THR A 86 11.686 -7.890 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.751 -8.959 5.542 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.111 -8.338 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.697 -6.819 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.418 -6.777 4.472 1.00 0.00 H new ATOM 1233 N ALA A 87 10.734 -5.413 2.524 1.00 0.00 N ATOM 1234 CA ALA A 87 10.604 -4.772 1.221 1.00 0.00 C ATOM 1235 C ALA A 87 10.600 -3.253 1.353 1.00 0.00 C ATOM 1236 O ALA A 87 10.881 -2.535 0.393 1.00 0.00 O ATOM 1237 CB ALA A 87 9.337 -5.247 0.524 1.00 0.00 C ATOM 0 H ALA A 87 9.952 -6.017 2.777 1.00 0.00 H new ATOM 0 HA ALA A 87 11.466 -5.055 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.252 -4.761 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.381 -6.327 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.470 -4.994 1.133 1.00 0.00 H new ATOM 1243 N LEU A 88 10.279 -2.770 2.548 1.00 0.00 N ATOM 1244 CA LEU A 88 10.237 -1.334 2.807 1.00 0.00 C ATOM 1245 C LEU A 88 11.602 -0.823 3.258 1.00 0.00 C ATOM 1246 O LEU A 88 11.913 0.359 3.107 1.00 0.00 O ATOM 1247 CB LEU A 88 9.184 -1.018 3.870 1.00 0.00 C ATOM 1248 CG LEU A 88 7.762 -0.787 3.358 1.00 0.00 C ATOM 1249 CD1 LEU A 88 6.745 -1.123 4.438 1.00 0.00 C ATOM 1250 CD2 LEU A 88 7.590 0.651 2.891 1.00 0.00 C ATOM 0 H LEU A 88 10.044 -3.351 3.353 1.00 0.00 H new ATOM 0 HA LEU A 88 9.969 -0.829 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.162 -1.839 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.502 -0.129 4.414 1.00 0.00 H new ATOM 0 HG LEU A 88 7.591 -1.447 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.739 -0.953 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.852 -2.169 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.915 -0.489 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.572 0.797 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.781 1.329 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.294 0.858 2.085 1.00 0.00 H new ATOM 1262 N ARG A 89 12.412 -1.720 3.809 1.00 0.00 N ATOM 1263 CA ARG A 89 13.743 -1.360 4.281 1.00 0.00 C ATOM 1264 C ARG A 89 14.784 -1.572 3.186 1.00 0.00 C ATOM 1265 O ARG A 89 15.840 -0.940 3.190 1.00 0.00 O ATOM 1266 CB ARG A 89 14.111 -2.185 5.516 1.00 0.00 C ATOM 1267 CG ARG A 89 13.213 -1.921 6.714 1.00 0.00 C ATOM 1268 CD ARG A 89 13.934 -2.202 8.023 1.00 0.00 C ATOM 1269 NE ARG A 89 15.011 -1.248 8.271 1.00 0.00 N ATOM 1270 CZ ARG A 89 14.824 -0.055 8.824 1.00 0.00 C ATOM 1271 NH1 ARG A 89 13.607 0.327 9.187 1.00 0.00 N ATOM 1272 NH2 ARG A 89 15.854 0.758 9.017 1.00 0.00 N ATOM 0 H ARG A 89 12.170 -2.702 3.940 1.00 0.00 H new ATOM 0 HA ARG A 89 13.732 -0.303 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.063 -3.244 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.143 -1.970 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.878 -0.884 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.322 -2.545 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.220 -2.164 8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.343 -3.212 8.002 1.00 0.00 H new ATOM 0 HE ARG A 89 15.960 -1.512 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.812 -0.296 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.466 1.244 9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.792 0.467 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.708 1.674 9.442 1.00 0.00 H new ATOM 1286 N GLN A 90 14.478 -2.467 2.252 1.00 0.00 N ATOM 1287 CA GLN A 90 15.388 -2.763 1.151 1.00 0.00 C ATOM 1288 C GLN A 90 15.106 -1.862 -0.046 1.00 0.00 C ATOM 1289 O GLN A 90 15.585 -2.113 -1.153 1.00 0.00 O ATOM 1290 CB GLN A 90 15.265 -4.231 0.741 1.00 0.00 C ATOM 1291 CG GLN A 90 15.762 -5.203 1.799 1.00 0.00 C ATOM 1292 CD GLN A 90 15.694 -6.647 1.344 1.00 0.00 C ATOM 1293 OE1 GLN A 90 14.673 -7.098 0.823 1.00 0.00 O ATOM 1294 NE2 GLN A 90 16.783 -7.382 1.537 1.00 0.00 N ATOM 0 H GLN A 90 13.608 -2.999 2.235 1.00 0.00 H new ATOM 0 HA GLN A 90 16.405 -2.573 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 90 14.221 -4.451 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.827 -4.391 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.791 -4.956 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.167 -5.083 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.607 -6.968 1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.795 -8.361 1.250 1.00 0.00 H new ATOM 1303 N THR A 91 14.323 -0.812 0.181 1.00 0.00 N ATOM 1304 CA THR A 91 13.975 0.126 -0.880 1.00 0.00 C ATOM 1305 C THR A 91 15.036 1.211 -1.024 1.00 0.00 C ATOM 1306 O THR A 91 15.566 1.730 -0.041 1.00 0.00 O ATOM 1307 CB THR A 91 12.610 0.789 -0.617 1.00 0.00 C ATOM 1308 OG1 THR A 91 12.535 1.234 0.742 1.00 0.00 O ATOM 1309 CG2 THR A 91 11.473 -0.180 -0.903 1.00 0.00 C ATOM 0 H THR A 91 13.918 -0.590 1.090 1.00 0.00 H new ATOM 0 HA THR A 91 13.919 -0.448 -1.805 1.00 0.00 H new ATOM 0 HB THR A 91 12.512 1.645 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.945 0.638 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.519 0.311 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.515 -0.493 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.568 -1.053 -0.258 1.00 0.00 H new ATOM 1317 N PRO A 92 15.355 1.565 -2.278 1.00 0.00 N ATOM 1318 CA PRO A 92 16.354 2.594 -2.580 1.00 0.00 C ATOM 1319 C PRO A 92 15.879 3.993 -2.201 1.00 0.00 C ATOM 1320 O PRO A 92 14.883 4.149 -1.496 1.00 0.00 O ATOM 1321 CB PRO A 92 16.531 2.482 -4.096 1.00 0.00 C ATOM 1322 CG PRO A 92 15.248 1.906 -4.586 1.00 0.00 C ATOM 1323 CD PRO A 92 14.763 0.989 -3.497 1.00 0.00 C ATOM 0 HA PRO A 92 17.275 2.445 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.724 3.456 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.375 1.841 -4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.520 2.691 -4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.396 1.361 -5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.674 0.968 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.094 -0.037 -3.658 1.00 0.00 H new ATOM 1331 N GLN A 93 16.599 5.005 -2.674 1.00 0.00 N ATOM 1332 CA GLN A 93 16.250 6.391 -2.384 1.00 0.00 C ATOM 1333 C GLN A 93 14.797 6.675 -2.752 1.00 0.00 C ATOM 1334 O GLN A 93 14.086 7.371 -2.027 1.00 0.00 O ATOM 1335 CB GLN A 93 17.176 7.342 -3.143 1.00 0.00 C ATOM 1336 CG GLN A 93 16.872 8.812 -2.899 1.00 0.00 C ATOM 1337 CD GLN A 93 17.798 9.735 -3.666 1.00 0.00 C ATOM 1338 OE1 GLN A 93 18.631 10.426 -3.079 1.00 0.00 O ATOM 1339 NE2 GLN A 93 17.658 9.750 -4.987 1.00 0.00 N ATOM 0 H GLN A 93 17.427 4.892 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 93 16.373 6.554 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 93 18.207 7.140 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.099 7.136 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.841 9.018 -3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.955 9.024 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 93 16.954 9.161 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.254 10.351 -5.556 1.00 0.00 H new ATOM 1348 N LYS A 94 14.363 6.133 -3.885 1.00 0.00 N ATOM 1349 CA LYS A 94 12.995 6.327 -4.351 1.00 0.00 C ATOM 1350 C LYS A 94 12.136 5.105 -4.040 1.00 0.00 C ATOM 1351 O LYS A 94 12.361 4.022 -4.581 1.00 0.00 O ATOM 1352 CB LYS A 94 12.981 6.604 -5.856 1.00 0.00 C ATOM 1353 CG LYS A 94 13.647 7.914 -6.239 1.00 0.00 C ATOM 1354 CD LYS A 94 13.724 8.081 -7.747 1.00 0.00 C ATOM 1355 CE LYS A 94 13.682 9.547 -8.149 1.00 0.00 C ATOM 1356 NZ LYS A 94 14.150 9.752 -9.548 1.00 0.00 N ATOM 0 H LYS A 94 14.939 5.556 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 94 12.577 7.186 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.483 5.786 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.949 6.615 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.090 8.746 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.651 7.950 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.643 7.627 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.895 7.550 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.664 9.922 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.305 10.128 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.106 10.764 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.131 9.417 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.540 9.218 -10.200 1.00 0.00 H new ATOM 1370 N VAL A 95 11.150 5.286 -3.167 1.00 0.00 N ATOM 1371 CA VAL A 95 10.256 4.199 -2.787 1.00 0.00 C ATOM 1372 C VAL A 95 8.896 4.346 -3.459 1.00 0.00 C ATOM 1373 O VAL A 95 8.089 5.191 -3.072 1.00 0.00 O ATOM 1374 CB VAL A 95 10.059 4.142 -1.260 1.00 0.00 C ATOM 1375 CG1 VAL A 95 9.184 2.958 -0.879 1.00 0.00 C ATOM 1376 CG2 VAL A 95 11.403 4.073 -0.552 1.00 0.00 C ATOM 0 H VAL A 95 10.950 6.176 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 95 10.724 3.273 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 95 9.554 5.054 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.056 2.934 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.210 3.057 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.658 2.034 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.245 4.033 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.938 3.179 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.991 4.957 -0.800 1.00 0.00 H new ATOM 1386 N ARG A 96 8.648 3.517 -4.468 1.00 0.00 N ATOM 1387 CA ARG A 96 7.385 3.555 -5.196 1.00 0.00 C ATOM 1388 C ARG A 96 6.493 2.384 -4.796 1.00 0.00 C ATOM 1389 O ARG A 96 6.967 1.262 -4.615 1.00 0.00 O ATOM 1390 CB ARG A 96 7.640 3.525 -6.704 1.00 0.00 C ATOM 1391 CG ARG A 96 6.368 3.524 -7.536 1.00 0.00 C ATOM 1392 CD ARG A 96 5.797 2.121 -7.678 1.00 0.00 C ATOM 1393 NE ARG A 96 5.057 1.955 -8.926 1.00 0.00 N ATOM 1394 CZ ARG A 96 5.614 2.048 -10.128 1.00 0.00 C ATOM 1395 NH1 ARG A 96 6.909 2.304 -10.244 1.00 0.00 N ATOM 1396 NH2 ARG A 96 4.874 1.884 -11.218 1.00 0.00 N ATOM 0 H ARG A 96 9.305 2.811 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 96 6.874 4.483 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.244 4.390 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.224 2.638 -6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.627 4.174 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.577 3.935 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.608 1.394 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.138 1.911 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 96 4.058 1.757 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.481 2.430 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.334 2.375 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.877 1.686 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.303 1.956 -12.141 1.00 0.00 H new ATOM 1410 N LEU A 97 5.199 2.652 -4.661 1.00 0.00 N ATOM 1411 CA LEU A 97 4.239 1.621 -4.283 1.00 0.00 C ATOM 1412 C LEU A 97 2.881 1.877 -4.929 1.00 0.00 C ATOM 1413 O LEU A 97 2.626 2.961 -5.454 1.00 0.00 O ATOM 1414 CB LEU A 97 4.091 1.568 -2.761 1.00 0.00 C ATOM 1415 CG LEU A 97 5.342 1.912 -1.952 1.00 0.00 C ATOM 1416 CD1 LEU A 97 5.441 3.414 -1.735 1.00 0.00 C ATOM 1417 CD2 LEU A 97 5.334 1.177 -0.620 1.00 0.00 C ATOM 0 H LEU A 97 4.790 3.575 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 97 4.614 0.662 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.295 2.253 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.767 0.565 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 97 6.217 1.589 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.337 3.640 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.494 3.918 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.562 3.762 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.232 1.434 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.452 1.468 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.312 0.102 -0.798 1.00 0.00 H new ATOM 1429 N VAL A 98 2.011 0.873 -4.884 1.00 0.00 N ATOM 1430 CA VAL A 98 0.678 0.991 -5.462 1.00 0.00 C ATOM 1431 C VAL A 98 -0.399 0.840 -4.394 1.00 0.00 C ATOM 1432 O VAL A 98 -0.499 -0.198 -3.740 1.00 0.00 O ATOM 1433 CB VAL A 98 0.447 -0.064 -6.561 1.00 0.00 C ATOM 1434 CG1 VAL A 98 -0.922 0.119 -7.197 1.00 0.00 C ATOM 1435 CG2 VAL A 98 1.546 0.011 -7.610 1.00 0.00 C ATOM 0 H VAL A 98 2.206 -0.031 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 98 0.611 1.985 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 98 0.479 -1.053 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.067 -0.635 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.694 0.011 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.987 1.112 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.367 -0.741 -8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.548 1.002 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.512 -0.174 -7.139 1.00 0.00 H new ATOM 1445 N VAL A 99 -1.205 1.883 -4.222 1.00 0.00 N ATOM 1446 CA VAL A 99 -2.277 1.866 -3.234 1.00 0.00 C ATOM 1447 C VAL A 99 -3.642 1.752 -3.905 1.00 0.00 C ATOM 1448 O VAL A 99 -3.807 2.127 -5.066 1.00 0.00 O ATOM 1449 CB VAL A 99 -2.253 3.133 -2.358 1.00 0.00 C ATOM 1450 CG1 VAL A 99 -1.039 3.124 -1.441 1.00 0.00 C ATOM 1451 CG2 VAL A 99 -2.266 4.382 -3.226 1.00 0.00 C ATOM 0 H VAL A 99 -1.136 2.750 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.111 0.993 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.149 3.141 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.038 4.026 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.078 2.247 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.130 3.092 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.249 5.267 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.390 4.384 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.169 4.391 -3.837 1.00 0.00 H new ATOM 1461 N TYR A 100 -4.616 1.234 -3.166 1.00 0.00 N ATOM 1462 CA TYR A 100 -5.967 1.069 -3.690 1.00 0.00 C ATOM 1463 C TYR A 100 -7.008 1.438 -2.639 1.00 0.00 C ATOM 1464 O TYR A 100 -7.167 0.743 -1.635 1.00 0.00 O ATOM 1465 CB TYR A 100 -6.184 -0.373 -4.154 1.00 0.00 C ATOM 1466 CG TYR A 100 -7.596 -0.655 -4.613 1.00 0.00 C ATOM 1467 CD1 TYR A 100 -8.167 0.067 -5.653 1.00 0.00 C ATOM 1468 CD2 TYR A 100 -8.361 -1.644 -4.005 1.00 0.00 C ATOM 1469 CE1 TYR A 100 -9.458 -0.187 -6.075 1.00 0.00 C ATOM 1470 CE2 TYR A 100 -9.651 -1.906 -4.421 1.00 0.00 C ATOM 1471 CZ TYR A 100 -10.196 -1.175 -5.456 1.00 0.00 C ATOM 1472 OH TYR A 100 -11.482 -1.432 -5.873 1.00 0.00 O ATOM 0 H TYR A 100 -4.496 0.921 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.083 1.740 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.495 -0.591 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.934 -1.050 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.592 0.840 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.939 -2.217 -3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.887 0.385 -6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.230 -2.679 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 100 -11.862 -2.157 -5.334 1.00 0.00 H new ATOM 1482 N ARG A 101 -7.716 2.538 -2.877 1.00 0.00 N ATOM 1483 CA ARG A 101 -8.742 3.001 -1.951 1.00 0.00 C ATOM 1484 C ARG A 101 -10.127 2.915 -2.586 1.00 0.00 C ATOM 1485 O ARG A 101 -10.663 3.914 -3.066 1.00 0.00 O ATOM 1486 CB ARG A 101 -8.456 4.440 -1.518 1.00 0.00 C ATOM 1487 CG ARG A 101 -9.231 4.871 -0.283 1.00 0.00 C ATOM 1488 CD ARG A 101 -8.825 6.263 0.173 1.00 0.00 C ATOM 1489 NE ARG A 101 -7.374 6.411 0.252 1.00 0.00 N ATOM 1490 CZ ARG A 101 -6.763 7.578 0.421 1.00 0.00 C ATOM 1491 NH1 ARG A 101 -7.472 8.693 0.529 1.00 0.00 N ATOM 1492 NH2 ARG A 101 -5.438 7.632 0.483 1.00 0.00 N ATOM 0 H ARG A 101 -7.597 3.125 -3.703 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.723 2.354 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.389 4.546 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.697 5.113 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.299 4.855 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.058 4.158 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.228 7.003 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.264 6.467 1.150 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.799 5.572 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.490 8.656 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.999 9.587 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.888 6.777 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.970 8.529 0.613 1.00 0.00 H new ATOM 1506 N ASP A 102 -10.698 1.716 -2.586 1.00 0.00 N ATOM 1507 CA ASP A 102 -12.021 1.500 -3.162 1.00 0.00 C ATOM 1508 C ASP A 102 -13.044 2.448 -2.545 1.00 0.00 C ATOM 1509 O ASP A 102 -12.962 2.781 -1.364 1.00 0.00 O ATOM 1510 CB ASP A 102 -12.460 0.050 -2.954 1.00 0.00 C ATOM 1511 CG ASP A 102 -12.967 -0.205 -1.549 1.00 0.00 C ATOM 1512 OD1 ASP A 102 -12.483 0.464 -0.612 1.00 0.00 O ATOM 1513 OD2 ASP A 102 -13.850 -1.074 -1.386 1.00 0.00 O ATOM 0 H ASP A 102 -10.266 0.879 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.963 1.704 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.244 -0.195 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.621 -0.614 -3.160 1.00 0.00 H new ATOM 1518 N GLU A 103 -14.007 2.880 -3.354 1.00 0.00 N ATOM 1519 CA GLU A 103 -15.044 3.791 -2.887 1.00 0.00 C ATOM 1520 C GLU A 103 -16.367 3.055 -2.693 1.00 0.00 C ATOM 1521 O GLU A 103 -17.437 3.663 -2.722 1.00 0.00 O ATOM 1522 CB GLU A 103 -15.229 4.941 -3.879 1.00 0.00 C ATOM 1523 CG GLU A 103 -15.205 4.500 -5.333 1.00 0.00 C ATOM 1524 CD GLU A 103 -15.991 5.430 -6.237 1.00 0.00 C ATOM 1525 OE1 GLU A 103 -16.972 6.036 -5.756 1.00 0.00 O ATOM 1526 OE2 GLU A 103 -15.627 5.551 -7.426 1.00 0.00 O ATOM 0 H GLU A 103 -14.090 2.613 -4.335 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.729 4.197 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.178 5.437 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.442 5.678 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.172 4.452 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.614 3.493 -5.410 1.00 0.00 H new ATOM 1533 N ALA A 104 -16.285 1.744 -2.496 1.00 0.00 N ATOM 1534 CA ALA A 104 -17.474 0.925 -2.296 1.00 0.00 C ATOM 1535 C ALA A 104 -18.076 1.160 -0.915 1.00 0.00 C ATOM 1536 O ALA A 104 -17.501 0.765 0.100 1.00 0.00 O ATOM 1537 CB ALA A 104 -17.139 -0.547 -2.484 1.00 0.00 C ATOM 0 H ALA A 104 -15.407 1.226 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.215 1.216 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -18.036 -1.147 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -16.762 -0.708 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -16.378 -0.842 -1.761 1.00 0.00 H new ATOM 1543 N HIS A 105 -19.237 1.807 -0.883 1.00 0.00 N ATOM 1544 CA HIS A 105 -19.918 2.095 0.375 1.00 0.00 C ATOM 1545 C HIS A 105 -18.957 2.723 1.381 1.00 0.00 C ATOM 1546 O HIS A 105 -18.986 2.398 2.568 1.00 0.00 O ATOM 1547 CB HIS A 105 -20.520 0.816 0.958 1.00 0.00 C ATOM 1548 CG HIS A 105 -21.469 0.123 0.029 1.00 0.00 C ATOM 1549 ND1 HIS A 105 -22.819 0.007 0.282 1.00 0.00 N ATOM 1550 CD2 HIS A 105 -21.256 -0.490 -1.158 1.00 0.00 C ATOM 1551 CE1 HIS A 105 -23.396 -0.649 -0.709 1.00 0.00 C ATOM 1552 NE2 HIS A 105 -22.469 -0.962 -1.596 1.00 0.00 N ATOM 0 H HIS A 105 -19.726 2.142 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 105 -20.720 2.805 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -19.714 0.130 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -21.043 1.059 1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -20.308 -0.590 -1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -24.447 -0.888 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -22.628 -1.472 -2.465 1.00 0.00 H new ATOM 1561 N TYR A 106 -18.109 3.624 0.897 1.00 0.00 N ATOM 1562 CA TYR A 106 -17.138 4.295 1.753 1.00 0.00 C ATOM 1563 C TYR A 106 -17.809 5.377 2.594 1.00 0.00 C ATOM 1564 O TYR A 106 -17.684 5.393 3.819 1.00 0.00 O ATOM 1565 CB TYR A 106 -16.021 4.911 0.908 1.00 0.00 C ATOM 1566 CG TYR A 106 -14.706 5.038 1.642 1.00 0.00 C ATOM 1567 CD1 TYR A 106 -14.044 3.915 2.122 1.00 0.00 C ATOM 1568 CD2 TYR A 106 -14.125 6.282 1.856 1.00 0.00 C ATOM 1569 CE1 TYR A 106 -12.842 4.027 2.794 1.00 0.00 C ATOM 1570 CE2 TYR A 106 -12.923 6.403 2.526 1.00 0.00 C ATOM 1571 CZ TYR A 106 -12.286 5.273 2.994 1.00 0.00 C ATOM 1572 OH TYR A 106 -11.088 5.388 3.662 1.00 0.00 O ATOM 0 H TYR A 106 -18.074 3.906 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 106 -16.709 3.551 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -15.873 4.301 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -16.335 5.898 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -14.476 2.938 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -14.622 7.169 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.341 3.144 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.484 7.377 2.682 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.834 6.333 3.717 1.00 0.00 H new ATOM 1582 N ARG A 107 -18.522 6.279 1.928 1.00 0.00 N ATOM 1583 CA ARG A 107 -19.213 7.364 2.612 1.00 0.00 C ATOM 1584 C ARG A 107 -20.716 7.107 2.660 1.00 0.00 C ATOM 1585 O ARG A 107 -21.389 7.108 1.629 1.00 0.00 O ATOM 1586 CB ARG A 107 -18.934 8.696 1.913 1.00 0.00 C ATOM 1587 CG ARG A 107 -19.682 9.871 2.521 1.00 0.00 C ATOM 1588 CD ARG A 107 -19.659 11.082 1.601 1.00 0.00 C ATOM 1589 NE ARG A 107 -20.611 12.107 2.021 1.00 0.00 N ATOM 1590 CZ ARG A 107 -20.371 12.976 2.997 1.00 0.00 C ATOM 1591 NH1 ARG A 107 -19.217 12.944 3.649 1.00 0.00 N ATOM 1592 NH2 ARG A 107 -21.287 13.880 3.322 1.00 0.00 N ATOM 0 H ARG A 107 -18.636 6.279 0.914 1.00 0.00 H new ATOM 0 HA ARG A 107 -18.838 7.413 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.864 8.899 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.205 8.608 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.714 9.583 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.234 10.132 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.655 11.505 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.890 10.768 0.583 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.508 12.158 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.511 12.251 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.036 13.612 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.176 13.908 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.102 14.547 4.071 1.00 0.00 H new ATOM 1606 N ASP A 108 -21.236 6.888 3.862 1.00 0.00 N ATOM 1607 CA ASP A 108 -22.660 6.630 4.045 1.00 0.00 C ATOM 1608 C ASP A 108 -23.403 7.914 4.399 1.00 0.00 C ATOM 1609 O ASP A 108 -22.808 8.871 4.892 1.00 0.00 O ATOM 1610 CB ASP A 108 -22.874 5.583 5.139 1.00 0.00 C ATOM 1611 CG ASP A 108 -24.193 4.850 4.989 1.00 0.00 C ATOM 1612 OD1 ASP A 108 -24.220 3.817 4.289 1.00 0.00 O ATOM 1613 OD2 ASP A 108 -25.197 5.311 5.571 1.00 0.00 O ATOM 0 H ASP A 108 -20.693 6.884 4.725 1.00 0.00 H new ATOM 0 HA ASP A 108 -23.059 6.248 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -22.056 4.863 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -22.840 6.069 6.114 1.00 0.00 H new ATOM 1618 N GLU A 109 -24.708 7.926 4.142 1.00 0.00 N ATOM 1619 CA GLU A 109 -25.532 9.094 4.432 1.00 0.00 C ATOM 1620 C GLU A 109 -26.734 8.712 5.290 1.00 0.00 C ATOM 1621 O GLU A 109 -27.347 7.665 5.085 1.00 0.00 O ATOM 1622 CB GLU A 109 -26.006 9.747 3.132 1.00 0.00 C ATOM 1623 CG GLU A 109 -26.562 11.148 3.322 1.00 0.00 C ATOM 1624 CD GLU A 109 -25.588 12.072 4.027 1.00 0.00 C ATOM 1625 OE1 GLU A 109 -24.751 12.690 3.337 1.00 0.00 O ATOM 1626 OE2 GLU A 109 -25.662 12.175 5.269 1.00 0.00 O ATOM 0 H GLU A 109 -25.216 7.141 3.734 1.00 0.00 H new ATOM 0 HA GLU A 109 -24.923 9.808 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -25.172 9.788 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.773 9.119 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -26.817 11.569 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -27.486 11.093 3.897 1.00 0.00 H new ATOM 1633 N GLU A 110 -27.064 9.568 6.252 1.00 0.00 N ATOM 1634 CA GLU A 110 -28.192 9.320 7.142 1.00 0.00 C ATOM 1635 C GLU A 110 -29.003 10.593 7.361 1.00 0.00 C ATOM 1636 O GLU A 110 -28.445 11.661 7.614 1.00 0.00 O ATOM 1637 CB GLU A 110 -27.700 8.777 8.485 1.00 0.00 C ATOM 1638 CG GLU A 110 -26.944 7.464 8.371 1.00 0.00 C ATOM 1639 CD GLU A 110 -26.377 7.000 9.699 1.00 0.00 C ATOM 1640 OE1 GLU A 110 -26.949 7.366 10.748 1.00 0.00 O ATOM 1641 OE2 GLU A 110 -25.363 6.272 9.690 1.00 0.00 O ATOM 0 H GLU A 110 -26.566 10.439 6.435 1.00 0.00 H new ATOM 0 HA GLU A 110 -28.836 8.577 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -27.053 9.519 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -28.555 8.638 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -27.612 6.698 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -26.132 7.578 7.653 1.00 0.00 H new ATOM 1648 N SER A 111 -30.323 10.472 7.262 1.00 0.00 N ATOM 1649 CA SER A 111 -31.212 11.613 7.445 1.00 0.00 C ATOM 1650 C SER A 111 -31.540 11.815 8.921 1.00 0.00 C ATOM 1651 O SER A 111 -32.279 11.033 9.517 1.00 0.00 O ATOM 1652 CB SER A 111 -32.501 11.416 6.646 1.00 0.00 C ATOM 1653 OG SER A 111 -33.063 12.661 6.268 1.00 0.00 O ATOM 0 H SER A 111 -30.801 9.595 7.056 1.00 0.00 H new ATOM 0 HA SER A 111 -30.700 12.503 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 111 -32.293 10.822 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 111 -33.220 10.855 7.243 1.00 0.00 H new ATOM 0 HG SER A 111 -33.885 12.507 5.757 1.00 0.00 H new ATOM 1659 N GLY A 112 -30.983 12.872 9.506 1.00 0.00 N ATOM 1660 CA GLY A 112 -31.227 13.158 10.907 1.00 0.00 C ATOM 1661 C GLY A 112 -31.744 14.566 11.130 1.00 0.00 C ATOM 1662 O GLY A 112 -32.264 15.211 10.218 1.00 0.00 O ATOM 0 H GLY A 112 -30.368 13.535 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -31.949 12.443 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -30.303 13.020 11.469 1.00 0.00 H new ATOM 1666 N PRO A 113 -31.605 15.063 12.368 1.00 0.00 N ATOM 1667 CA PRO A 113 -32.057 16.408 12.736 1.00 0.00 C ATOM 1668 C PRO A 113 -31.207 17.501 12.096 1.00 0.00 C ATOM 1669 O PRO A 113 -31.693 18.599 11.826 1.00 0.00 O ATOM 1670 CB PRO A 113 -31.899 16.431 14.258 1.00 0.00 C ATOM 1671 CG PRO A 113 -30.838 15.424 14.544 1.00 0.00 C ATOM 1672 CD PRO A 113 -30.995 14.351 13.503 1.00 0.00 C ATOM 0 HA PRO A 113 -33.074 16.603 12.396 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -31.611 17.421 14.611 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -32.833 16.174 14.757 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -29.847 15.876 14.493 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -30.950 15.014 15.548 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -30.035 13.911 13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -31.630 13.539 13.856 1.00 0.00 H new ATOM 1680 N SER A 114 -29.937 17.192 11.856 1.00 0.00 N ATOM 1681 CA SER A 114 -29.019 18.149 11.250 1.00 0.00 C ATOM 1682 C SER A 114 -29.702 18.919 10.124 1.00 0.00 C ATOM 1683 O SER A 114 -30.667 18.441 9.527 1.00 0.00 O ATOM 1684 CB SER A 114 -27.780 17.430 10.714 1.00 0.00 C ATOM 1685 OG SER A 114 -28.141 16.362 9.856 1.00 0.00 O ATOM 0 H SER A 114 -29.520 16.286 12.072 1.00 0.00 H new ATOM 0 HA SER A 114 -28.714 18.859 12.019 1.00 0.00 H new ATOM 0 HB2 SER A 114 -27.150 18.137 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 114 -27.189 17.048 11.546 1.00 0.00 H new ATOM 0 HG SER A 114 -27.331 15.920 9.526 1.00 0.00 H new ATOM 1691 N SER A 115 -29.194 20.114 9.839 1.00 0.00 N ATOM 1692 CA SER A 115 -29.756 20.953 8.787 1.00 0.00 C ATOM 1693 C SER A 115 -31.281 20.928 8.829 1.00 0.00 C ATOM 1694 O SER A 115 -31.941 20.852 7.794 1.00 0.00 O ATOM 1695 CB SER A 115 -29.265 20.486 7.416 1.00 0.00 C ATOM 1696 OG SER A 115 -28.018 21.076 7.092 1.00 0.00 O ATOM 0 H SER A 115 -28.394 20.523 10.322 1.00 0.00 H new ATOM 0 HA SER A 115 -29.422 21.977 8.955 1.00 0.00 H new ATOM 0 HB2 SER A 115 -29.169 19.400 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 115 -30.002 20.744 6.655 1.00 0.00 H new ATOM 0 HG SER A 115 -27.725 20.760 6.212 1.00 0.00 H new ATOM 1702 N GLY A 116 -31.835 20.992 10.037 1.00 0.00 N ATOM 1703 CA GLY A 116 -33.277 20.976 10.193 1.00 0.00 C ATOM 1704 C GLY A 116 -33.922 22.279 9.765 1.00 0.00 C ATOM 1705 O GLY A 116 -33.422 23.359 10.080 1.00 0.00 O ATOM 0 H GLY A 116 -31.310 21.055 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -33.694 20.158 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -33.524 20.777 11.236 1.00 0.00 H new TER 1709 GLY A 116