USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 788 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-6.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.388 USER MOD Single : A 26 SER OG : rot -30:sc= 0.412 USER MOD Single : A 31 HIS : no HD1:sc= -8.98! C(o=-9!,f=-9.5!) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.05 (180deg=1.03) USER MOD Single : A 35 ASN : amide:sc= -7.11! C(o=-7.1!,f=-2.5!) USER MOD Single : A 38 MET CE :methyl 169:sc= -1.25 (180deg=-1.46) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 38:sc= 0.388 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.138) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.27) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.98 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0.526 (180deg=0.511) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.164 USER MOD Single : A 88 GLN : amide:sc= -5.7! C(o=-5.7!,f=-8.3!) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 0.724 -0.446 -0.252 1.00 20.44 N ATOM 2 CA TYR A 1 1.591 -0.303 -1.415 1.00 72.33 C ATOM 3 C TYR A 1 2.838 -1.171 -1.276 1.00 33.32 C ATOM 4 O TYR A 1 3.443 -1.239 -0.207 1.00 32.45 O ATOM 5 CB TYR A 1 1.993 1.161 -1.601 1.00 21.32 C ATOM 6 CG TYR A 1 2.244 1.542 -3.042 1.00 74.24 C ATOM 7 CD1 TYR A 1 3.276 0.957 -3.767 1.00 14.35 C ATOM 8 CD2 TYR A 1 1.449 2.487 -3.680 1.00 65.31 C ATOM 9 CE1 TYR A 1 3.509 1.303 -5.084 1.00 32.33 C ATOM 10 CE2 TYR A 1 1.674 2.837 -4.997 1.00 44.22 C ATOM 11 CZ TYR A 1 2.705 2.243 -5.695 1.00 23.34 C ATOM 12 OH TYR A 1 2.934 2.590 -7.006 1.00 55.14 O ATOM 0 H1 TYR A 1 -0.117 0.154 -0.370 1.00 20.44 H new ATOM 0 H2 TYR A 1 0.430 -1.439 -0.158 1.00 20.44 H new ATOM 0 H3 TYR A 1 1.239 -0.155 0.603 1.00 20.44 H new ATOM 0 HA TYR A 1 1.036 -0.635 -2.292 1.00 72.33 H new ATOM 0 HB2 TYR A 1 1.207 1.799 -1.197 1.00 21.32 H new ATOM 0 HB3 TYR A 1 2.894 1.358 -1.020 1.00 21.32 H new ATOM 0 HD1 TYR A 1 3.906 0.219 -3.292 1.00 14.35 H new ATOM 0 HD2 TYR A 1 0.642 2.955 -3.137 1.00 65.31 H new ATOM 0 HE1 TYR A 1 4.316 0.840 -5.632 1.00 32.33 H new ATOM 0 HE2 TYR A 1 1.046 3.572 -5.478 1.00 44.22 H new ATOM 0 HH TYR A 1 2.279 3.264 -7.285 1.00 55.14 H new ATOM 22 N GLU A 2 3.215 -1.833 -2.365 1.00 45.55 N ATOM 23 CA GLU A 2 4.390 -2.697 -2.365 1.00 41.51 C ATOM 24 C GLU A 2 5.166 -2.560 -3.672 1.00 3.02 C ATOM 25 O GLU A 2 4.892 -3.262 -4.645 1.00 4.40 O ATOM 26 CB GLU A 2 3.978 -4.155 -2.154 1.00 10.11 C ATOM 27 CG GLU A 2 3.499 -4.454 -0.743 1.00 42.13 C ATOM 28 CD GLU A 2 2.312 -5.397 -0.718 1.00 22.23 C ATOM 29 OE1 GLU A 2 1.211 -4.975 -1.129 1.00 31.22 O ATOM 30 OE2 GLU A 2 2.484 -6.556 -0.287 1.00 20.42 O ATOM 0 H GLU A 2 2.724 -1.788 -3.258 1.00 45.55 H new ATOM 0 HA GLU A 2 5.037 -2.387 -1.544 1.00 41.51 H new ATOM 0 HB2 GLU A 2 3.185 -4.405 -2.859 1.00 10.11 H new ATOM 0 HB3 GLU A 2 4.825 -4.800 -2.385 1.00 10.11 H new ATOM 0 HG2 GLU A 2 4.317 -4.891 -0.170 1.00 42.13 H new ATOM 0 HG3 GLU A 2 3.227 -3.521 -0.250 1.00 42.13 H new ATOM 37 N ALA A 3 6.136 -1.651 -3.685 1.00 71.11 N ATOM 38 CA ALA A 3 6.953 -1.423 -4.870 1.00 52.14 C ATOM 39 C ALA A 3 6.100 -0.949 -6.042 1.00 73.54 C ATOM 40 O ALA A 3 4.948 -1.353 -6.206 1.00 10.32 O ATOM 41 CB ALA A 3 7.708 -2.690 -5.243 1.00 21.11 C ATOM 0 H ALA A 3 6.375 -1.061 -2.888 1.00 71.11 H new ATOM 0 HA ALA A 3 7.674 -0.639 -4.638 1.00 52.14 H new ATOM 0 HB1 ALA A 3 8.314 -2.505 -6.130 1.00 21.11 H new ATOM 0 HB2 ALA A 3 8.355 -2.985 -4.417 1.00 21.11 H new ATOM 0 HB3 ALA A 3 6.997 -3.490 -5.450 1.00 21.11 H new ATOM 47 N PRO A 4 6.675 -0.073 -6.878 1.00 45.33 N ATOM 48 CA PRO A 4 5.985 0.475 -8.050 1.00 30.31 C ATOM 49 C PRO A 4 5.771 -0.572 -9.138 1.00 41.21 C ATOM 50 O PRO A 4 6.386 -1.638 -9.137 1.00 22.31 O ATOM 51 CB PRO A 4 6.934 1.571 -8.541 1.00 61.40 C ATOM 52 CG PRO A 4 8.279 1.154 -8.053 1.00 73.24 C ATOM 53 CD PRO A 4 8.045 0.451 -6.745 1.00 1.44 C ATOM 0 HA PRO A 4 4.987 0.837 -7.803 1.00 30.31 H new ATOM 0 HB2 PRO A 4 6.915 1.653 -9.628 1.00 61.40 H new ATOM 0 HB3 PRO A 4 6.653 2.546 -8.142 1.00 61.40 H new ATOM 0 HG2 PRO A 4 8.766 0.493 -8.770 1.00 73.24 H new ATOM 0 HG3 PRO A 4 8.931 2.017 -7.921 1.00 73.24 H new ATOM 0 HD2 PRO A 4 8.767 -0.349 -6.584 1.00 1.44 H new ATOM 0 HD3 PRO A 4 8.133 1.134 -5.900 1.00 1.44 H new ATOM 61 N PRO A 5 4.879 -0.262 -10.091 1.00 31.33 N ATOM 62 CA PRO A 5 4.564 -1.163 -11.203 1.00 64.25 C ATOM 63 C PRO A 5 5.720 -1.291 -12.190 1.00 60.40 C ATOM 64 O PRO A 5 6.326 -0.295 -12.583 1.00 71.15 O ATOM 65 CB PRO A 5 3.362 -0.494 -11.873 1.00 14.31 C ATOM 66 CG PRO A 5 3.489 0.949 -11.524 1.00 53.12 C ATOM 67 CD PRO A 5 4.109 0.991 -10.155 1.00 51.21 C ATOM 0 HA PRO A 5 4.368 -2.179 -10.861 1.00 64.25 H new ATOM 0 HB2 PRO A 5 3.377 -0.643 -12.953 1.00 14.31 H new ATOM 0 HB3 PRO A 5 2.423 -0.909 -11.507 1.00 14.31 H new ATOM 0 HG2 PRO A 5 4.111 1.473 -12.250 1.00 53.12 H new ATOM 0 HG3 PRO A 5 2.515 1.438 -11.526 1.00 53.12 H new ATOM 0 HD2 PRO A 5 4.750 1.864 -10.031 1.00 51.21 H new ATOM 0 HD3 PRO A 5 3.352 1.038 -9.372 1.00 51.21 H new ATOM 75 N ALA A 6 6.020 -2.524 -12.586 1.00 71.02 N ATOM 76 CA ALA A 6 7.101 -2.782 -13.529 1.00 4.51 C ATOM 77 C ALA A 6 6.625 -2.618 -14.968 1.00 45.24 C ATOM 78 O ALA A 6 5.517 -3.026 -15.318 1.00 2.34 O ATOM 79 CB ALA A 6 7.668 -4.177 -13.314 1.00 31.22 C ATOM 0 H ALA A 6 5.529 -3.360 -12.268 1.00 71.02 H new ATOM 0 HA ALA A 6 7.889 -2.050 -13.349 1.00 4.51 H new ATOM 0 HB1 ALA A 6 8.474 -4.356 -14.025 1.00 31.22 H new ATOM 0 HB2 ALA A 6 8.055 -4.260 -12.298 1.00 31.22 H new ATOM 0 HB3 ALA A 6 6.881 -4.917 -13.464 1.00 31.22 H new ATOM 85 N THR A 7 7.470 -2.017 -15.801 1.00 71.45 N ATOM 86 CA THR A 7 7.135 -1.798 -17.203 1.00 12.03 C ATOM 87 C THR A 7 7.636 -2.944 -18.074 1.00 31.11 C ATOM 88 O THR A 7 8.653 -2.819 -18.758 1.00 32.13 O ATOM 89 CB THR A 7 7.730 -0.475 -17.722 1.00 75.41 C ATOM 90 OG1 THR A 7 7.324 0.609 -16.879 1.00 22.41 O ATOM 91 CG2 THR A 7 7.284 -0.206 -19.152 1.00 23.43 C ATOM 0 H THR A 7 8.391 -1.673 -15.529 1.00 71.45 H new ATOM 0 HA THR A 7 6.048 -1.748 -17.264 1.00 12.03 H new ATOM 0 HB THR A 7 8.817 -0.560 -17.706 1.00 75.41 H new ATOM 0 HG1 THR A 7 7.708 1.446 -17.215 1.00 22.41 H new ATOM 0 HG21 THR A 7 7.716 0.733 -19.497 1.00 23.43 H new ATOM 0 HG22 THR A 7 7.619 -1.019 -19.797 1.00 23.43 H new ATOM 0 HG23 THR A 7 6.197 -0.140 -19.188 1.00 23.43 H new ATOM 99 N LEU A 8 6.917 -4.061 -18.046 1.00 14.53 N ATOM 100 CA LEU A 8 7.288 -5.230 -18.834 1.00 62.24 C ATOM 101 C LEU A 8 6.882 -5.054 -20.294 1.00 60.21 C ATOM 102 O LEU A 8 5.696 -5.037 -20.620 1.00 34.21 O ATOM 103 CB LEU A 8 6.633 -6.487 -18.259 1.00 0.02 C ATOM 104 CG LEU A 8 6.806 -6.706 -16.755 1.00 41.44 C ATOM 105 CD1 LEU A 8 5.490 -6.480 -16.028 1.00 53.21 C ATOM 106 CD2 LEU A 8 7.338 -8.104 -16.478 1.00 31.04 C ATOM 0 H LEU A 8 6.073 -4.181 -17.486 1.00 14.53 H new ATOM 0 HA LEU A 8 8.372 -5.339 -18.788 1.00 62.24 H new ATOM 0 HB2 LEU A 8 5.566 -6.450 -18.480 1.00 0.02 H new ATOM 0 HB3 LEU A 8 7.037 -7.354 -18.781 1.00 0.02 H new ATOM 0 HG LEU A 8 7.531 -5.983 -16.383 1.00 41.44 H new ATOM 0 HD11 LEU A 8 5.633 -6.640 -14.959 1.00 53.21 H new ATOM 0 HD12 LEU A 8 5.150 -5.459 -16.200 1.00 53.21 H new ATOM 0 HD13 LEU A 8 4.742 -7.179 -16.403 1.00 53.21 H new ATOM 0 HD21 LEU A 8 7.455 -8.242 -15.403 1.00 31.04 H new ATOM 0 HD22 LEU A 8 6.637 -8.843 -16.865 1.00 31.04 H new ATOM 0 HD23 LEU A 8 8.304 -8.229 -16.967 1.00 31.04 H new ATOM 118 N GLU A 9 7.875 -4.926 -21.168 1.00 44.31 N ATOM 119 CA GLU A 9 7.620 -4.753 -22.593 1.00 44.43 C ATOM 120 C GLU A 9 7.471 -6.103 -23.287 1.00 71.43 C ATOM 121 O GLU A 9 7.166 -7.111 -22.649 1.00 43.42 O ATOM 122 CB GLU A 9 8.753 -3.955 -23.244 1.00 20.44 C ATOM 123 CG GLU A 9 9.157 -2.720 -22.457 1.00 41.32 C ATOM 124 CD GLU A 9 8.128 -1.610 -22.545 1.00 53.33 C ATOM 125 OE1 GLU A 9 7.109 -1.688 -21.828 1.00 35.34 O ATOM 126 OE2 GLU A 9 8.341 -0.663 -23.331 1.00 72.23 O ATOM 0 H GLU A 9 8.863 -4.939 -20.914 1.00 44.31 H new ATOM 0 HA GLU A 9 6.686 -4.202 -22.704 1.00 44.43 H new ATOM 0 HB2 GLU A 9 9.622 -4.602 -23.360 1.00 20.44 H new ATOM 0 HB3 GLU A 9 8.445 -3.653 -24.245 1.00 20.44 H new ATOM 0 HG2 GLU A 9 9.304 -2.992 -21.412 1.00 41.32 H new ATOM 0 HG3 GLU A 9 10.114 -2.354 -22.829 1.00 41.32 H new ATOM 133 N ALA A 10 7.687 -6.115 -24.599 1.00 21.55 N ATOM 134 CA ALA A 10 7.578 -7.341 -25.379 1.00 61.45 C ATOM 135 C ALA A 10 8.634 -7.388 -26.478 1.00 42.15 C ATOM 136 O ALA A 10 8.353 -7.075 -27.636 1.00 2.43 O ATOM 137 CB ALA A 10 6.185 -7.464 -25.978 1.00 52.32 C ATOM 0 H ALA A 10 7.938 -5.290 -25.143 1.00 21.55 H new ATOM 0 HA ALA A 10 7.749 -8.184 -24.710 1.00 61.45 H new ATOM 0 HB1 ALA A 10 6.118 -8.384 -26.558 1.00 52.32 H new ATOM 0 HB2 ALA A 10 5.445 -7.485 -25.178 1.00 52.32 H new ATOM 0 HB3 ALA A 10 5.992 -6.611 -26.628 1.00 52.32 H new ATOM 143 N ILE A 11 9.849 -7.780 -26.109 1.00 51.31 N ATOM 144 CA ILE A 11 10.946 -7.867 -27.064 1.00 63.15 C ATOM 145 C ILE A 11 10.746 -9.033 -28.027 1.00 11.12 C ATOM 146 O ILE A 11 9.830 -9.839 -27.860 1.00 24.51 O ATOM 147 CB ILE A 11 12.302 -8.032 -26.352 1.00 14.44 C ATOM 148 CG1 ILE A 11 12.410 -7.050 -25.183 1.00 23.00 C ATOM 149 CG2 ILE A 11 13.445 -7.824 -27.333 1.00 41.43 C ATOM 150 CD1 ILE A 11 12.685 -5.626 -25.613 1.00 61.14 C ATOM 0 H ILE A 11 10.098 -8.042 -25.155 1.00 51.31 H new ATOM 0 HA ILE A 11 10.950 -6.932 -27.624 1.00 63.15 H new ATOM 0 HB ILE A 11 12.368 -9.046 -25.958 1.00 14.44 H new ATOM 0 HG12 ILE A 11 11.483 -7.075 -24.611 1.00 23.00 H new ATOM 0 HG13 ILE A 11 13.206 -7.379 -24.515 1.00 23.00 H new ATOM 0 HG21 ILE A 11 14.396 -7.944 -26.814 1.00 41.43 H new ATOM 0 HG22 ILE A 11 13.374 -8.558 -28.135 1.00 41.43 H new ATOM 0 HG23 ILE A 11 13.385 -6.820 -27.754 1.00 41.43 H new ATOM 0 HD11 ILE A 11 12.749 -4.986 -24.733 1.00 61.14 H new ATOM 0 HD12 ILE A 11 13.627 -5.586 -26.159 1.00 61.14 H new ATOM 0 HD13 ILE A 11 11.877 -5.278 -26.257 1.00 61.14 H new ATOM 162 N HIS A 12 11.609 -9.117 -29.034 1.00 24.01 N ATOM 163 CA HIS A 12 11.529 -10.186 -30.023 1.00 20.44 C ATOM 164 C HIS A 12 11.528 -11.554 -29.345 1.00 54.52 C ATOM 165 O HIS A 12 11.729 -11.675 -28.137 1.00 11.34 O ATOM 166 CB HIS A 12 12.698 -10.092 -31.004 1.00 11.44 C ATOM 167 CG HIS A 12 12.288 -9.685 -32.386 1.00 23.32 C ATOM 168 ND1 HIS A 12 11.026 -9.911 -32.894 1.00 25.41 N ATOM 169 CD2 HIS A 12 12.981 -9.062 -33.367 1.00 64.34 C ATOM 170 CE1 HIS A 12 10.962 -9.447 -34.129 1.00 13.42 C ATOM 171 NE2 HIS A 12 12.135 -8.926 -34.440 1.00 50.20 N ATOM 0 H HIS A 12 12.372 -8.458 -29.187 1.00 24.01 H new ATOM 0 HA HIS A 12 10.594 -10.070 -30.572 1.00 20.44 H new ATOM 0 HB2 HIS A 12 13.425 -9.374 -30.623 1.00 11.44 H new ATOM 0 HB3 HIS A 12 13.200 -11.058 -31.052 1.00 11.44 H new ATOM 0 HD2 HIS A 12 14.008 -8.733 -33.316 1.00 64.34 H new ATOM 0 HE1 HIS A 12 10.097 -9.487 -34.775 1.00 13.42 H new ATOM 0 HE2 HIS A 12 12.374 -8.493 -35.332 1.00 50.20 H new ATOM 179 N PRO A 13 11.295 -12.608 -30.140 1.00 73.33 N ATOM 180 CA PRO A 13 11.261 -13.985 -29.639 1.00 62.50 C ATOM 181 C PRO A 13 12.640 -14.483 -29.218 1.00 51.13 C ATOM 182 O PRO A 13 12.876 -15.688 -29.130 1.00 4.12 O ATOM 183 CB PRO A 13 10.746 -14.787 -30.837 1.00 43.33 C ATOM 184 CG PRO A 13 11.125 -13.974 -32.027 1.00 64.52 C ATOM 185 CD PRO A 13 11.047 -12.538 -31.590 1.00 53.11 C ATOM 0 HA PRO A 13 10.640 -14.079 -28.748 1.00 62.50 H new ATOM 0 HB2 PRO A 13 11.198 -15.778 -30.874 1.00 43.33 H new ATOM 0 HB3 PRO A 13 9.667 -14.931 -30.783 1.00 43.33 H new ATOM 0 HG2 PRO A 13 12.130 -14.224 -32.366 1.00 64.52 H new ATOM 0 HG3 PRO A 13 10.450 -14.165 -32.861 1.00 64.52 H new ATOM 0 HD2 PRO A 13 11.792 -11.923 -32.096 1.00 53.11 H new ATOM 0 HD3 PRO A 13 10.072 -12.103 -31.810 1.00 53.11 H new ATOM 193 N LYS A 14 13.548 -13.548 -28.959 1.00 55.23 N ATOM 194 CA LYS A 14 14.903 -13.890 -28.546 1.00 21.22 C ATOM 195 C LYS A 14 15.305 -13.110 -27.298 1.00 41.35 C ATOM 196 O LYS A 14 16.485 -12.843 -27.075 1.00 0.12 O ATOM 197 CB LYS A 14 15.891 -13.605 -29.679 1.00 64.41 C ATOM 198 CG LYS A 14 16.030 -12.129 -30.008 1.00 62.23 C ATOM 199 CD LYS A 14 17.150 -11.883 -31.005 1.00 64.11 C ATOM 200 CE LYS A 14 17.108 -10.465 -31.553 1.00 14.34 C ATOM 201 NZ LYS A 14 17.886 -10.334 -32.816 1.00 32.05 N ATOM 0 H LYS A 14 13.369 -12.546 -29.028 1.00 55.23 H new ATOM 0 HA LYS A 14 14.927 -14.954 -28.311 1.00 21.22 H new ATOM 0 HB2 LYS A 14 16.869 -14.001 -29.405 1.00 64.41 H new ATOM 0 HB3 LYS A 14 15.569 -14.139 -30.573 1.00 64.41 H new ATOM 0 HG2 LYS A 14 15.090 -11.756 -30.416 1.00 62.23 H new ATOM 0 HG3 LYS A 14 16.226 -11.568 -29.094 1.00 62.23 H new ATOM 0 HD2 LYS A 14 18.112 -12.060 -30.524 1.00 64.11 H new ATOM 0 HD3 LYS A 14 17.069 -12.594 -31.827 1.00 64.11 H new ATOM 0 HE2 LYS A 14 16.073 -10.176 -31.733 1.00 14.34 H new ATOM 0 HE3 LYS A 14 17.506 -9.776 -30.808 1.00 14.34 H new ATOM 0 HZ1 LYS A 14 17.832 -9.353 -33.157 1.00 32.05 H new ATOM 0 HZ2 LYS A 14 18.880 -10.585 -32.639 1.00 32.05 H new ATOM 0 HZ3 LYS A 14 17.490 -10.972 -33.535 1.00 32.05 H new ATOM 215 N GLY A 15 14.315 -12.747 -26.488 1.00 23.32 N ATOM 216 CA GLY A 15 14.587 -12.002 -25.272 1.00 70.34 C ATOM 217 C GLY A 15 13.408 -11.156 -24.836 1.00 10.53 C ATOM 218 O GLY A 15 12.356 -11.165 -25.476 1.00 73.40 O ATOM 0 H GLY A 15 13.330 -12.955 -26.652 1.00 23.32 H new ATOM 0 HA2 GLY A 15 14.847 -12.697 -24.474 1.00 70.34 H new ATOM 0 HA3 GLY A 15 15.453 -11.359 -25.429 1.00 70.34 H new ATOM 222 N LEU A 16 13.582 -10.422 -23.742 1.00 54.20 N ATOM 223 CA LEU A 16 12.522 -9.566 -23.219 1.00 24.14 C ATOM 224 C LEU A 16 13.106 -8.389 -22.443 1.00 61.34 C ATOM 225 O LEU A 16 14.290 -8.382 -22.104 1.00 74.44 O ATOM 226 CB LEU A 16 11.587 -10.373 -22.316 1.00 4.22 C ATOM 227 CG LEU A 16 10.293 -9.676 -21.897 1.00 15.22 C ATOM 228 CD1 LEU A 16 9.551 -9.150 -23.116 1.00 0.42 C ATOM 229 CD2 LEU A 16 9.409 -10.626 -21.102 1.00 12.24 C ATOM 0 H LEU A 16 14.446 -10.402 -23.200 1.00 54.20 H new ATOM 0 HA LEU A 16 11.954 -9.175 -24.063 1.00 24.14 H new ATOM 0 HB2 LEU A 16 11.328 -11.299 -22.830 1.00 4.22 H new ATOM 0 HB3 LEU A 16 12.135 -10.651 -21.415 1.00 4.22 H new ATOM 0 HG LEU A 16 10.549 -8.830 -21.260 1.00 15.22 H new ATOM 0 HD11 LEU A 16 8.632 -8.657 -22.798 1.00 0.42 H new ATOM 0 HD12 LEU A 16 10.182 -8.436 -23.646 1.00 0.42 H new ATOM 0 HD13 LEU A 16 9.307 -9.980 -23.779 1.00 0.42 H new ATOM 0 HD21 LEU A 16 8.492 -10.113 -20.812 1.00 12.24 H new ATOM 0 HD22 LEU A 16 9.162 -11.492 -21.716 1.00 12.24 H new ATOM 0 HD23 LEU A 16 9.939 -10.954 -20.208 1.00 12.24 H new ATOM 241 N ARG A 17 12.268 -7.397 -22.164 1.00 55.24 N ATOM 242 CA ARG A 17 12.700 -6.215 -21.428 1.00 62.21 C ATOM 243 C ARG A 17 11.745 -5.912 -20.277 1.00 40.45 C ATOM 244 O ARG A 17 10.530 -6.059 -20.410 1.00 30.21 O ATOM 245 CB ARG A 17 12.788 -5.008 -22.364 1.00 74.43 C ATOM 246 CG ARG A 17 13.425 -3.786 -21.724 1.00 63.13 C ATOM 247 CD ARG A 17 13.007 -2.506 -22.430 1.00 41.31 C ATOM 248 NE ARG A 17 13.830 -1.367 -22.032 1.00 23.14 N ATOM 249 CZ ARG A 17 13.620 -0.125 -22.452 1.00 54.13 C ATOM 250 NH1 ARG A 17 12.617 0.137 -23.280 1.00 2.35 N ATOM 251 NH2 ARG A 17 14.412 0.858 -22.045 1.00 2.30 N ATOM 0 H ARG A 17 11.285 -7.388 -22.437 1.00 55.24 H new ATOM 0 HA ARG A 17 13.688 -6.417 -21.014 1.00 62.21 H new ATOM 0 HB2 ARG A 17 13.362 -5.286 -23.248 1.00 74.43 H new ATOM 0 HB3 ARG A 17 11.785 -4.749 -22.704 1.00 74.43 H new ATOM 0 HG2 ARG A 17 13.139 -3.733 -20.673 1.00 63.13 H new ATOM 0 HG3 ARG A 17 14.510 -3.882 -21.755 1.00 63.13 H new ATOM 0 HD2 ARG A 17 13.080 -2.647 -23.508 1.00 41.31 H new ATOM 0 HD3 ARG A 17 11.962 -2.294 -22.206 1.00 41.31 H new ATOM 0 HE ARG A 17 14.610 -1.535 -21.396 1.00 23.14 H new ATOM 0 HH11 ARG A 17 12.006 -0.616 -23.595 1.00 2.35 H new ATOM 0 HH12 ARG A 17 12.457 1.092 -23.602 1.00 2.35 H new ATOM 0 HH21 ARG A 17 15.184 0.661 -21.408 1.00 2.30 H new ATOM 0 HH22 ARG A 17 14.249 1.811 -22.369 1.00 2.30 H new ATOM 265 N VAL A 18 12.303 -5.487 -19.148 1.00 61.21 N ATOM 266 CA VAL A 18 11.502 -5.162 -17.974 1.00 74.33 C ATOM 267 C VAL A 18 12.203 -4.130 -17.099 1.00 31.14 C ATOM 268 O VAL A 18 13.148 -4.451 -16.378 1.00 32.50 O ATOM 269 CB VAL A 18 11.205 -6.417 -17.132 1.00 61.42 C ATOM 270 CG1 VAL A 18 10.526 -6.036 -15.826 1.00 11.02 C ATOM 271 CG2 VAL A 18 10.350 -7.398 -17.921 1.00 1.22 C ATOM 0 H VAL A 18 13.307 -5.360 -19.022 1.00 61.21 H new ATOM 0 HA VAL A 18 10.562 -4.747 -18.337 1.00 74.33 H new ATOM 0 HB VAL A 18 12.150 -6.905 -16.893 1.00 61.42 H new ATOM 0 HG11 VAL A 18 10.324 -6.936 -15.245 1.00 11.02 H new ATOM 0 HG12 VAL A 18 11.179 -5.375 -15.256 1.00 11.02 H new ATOM 0 HG13 VAL A 18 9.588 -5.524 -16.040 1.00 11.02 H new ATOM 0 HG21 VAL A 18 10.150 -8.279 -17.311 1.00 1.22 H new ATOM 0 HG22 VAL A 18 9.407 -6.923 -18.192 1.00 1.22 H new ATOM 0 HG23 VAL A 18 10.880 -7.696 -18.826 1.00 1.22 H new ATOM 281 N SER A 19 11.734 -2.888 -17.166 1.00 34.44 N ATOM 282 CA SER A 19 12.318 -1.807 -16.381 1.00 12.01 C ATOM 283 C SER A 19 11.318 -1.277 -15.358 1.00 0.33 C ATOM 284 O SER A 19 10.110 -1.470 -15.495 1.00 50.10 O ATOM 285 CB SER A 19 12.776 -0.672 -17.299 1.00 74.10 C ATOM 286 OG SER A 19 13.320 0.401 -16.551 1.00 13.33 O ATOM 0 H SER A 19 10.951 -2.606 -17.756 1.00 34.44 H new ATOM 0 HA SER A 19 13.181 -2.204 -15.847 1.00 12.01 H new ATOM 0 HB2 SER A 19 13.522 -1.046 -18.000 1.00 74.10 H new ATOM 0 HB3 SER A 19 11.933 -0.316 -17.891 1.00 74.10 H new ATOM 0 HG SER A 19 13.166 1.243 -17.028 1.00 13.33 H new ATOM 292 N VAL A 20 11.831 -0.607 -14.331 1.00 0.43 N ATOM 293 CA VAL A 20 10.985 -0.047 -13.284 1.00 13.32 C ATOM 294 C VAL A 20 11.472 1.335 -12.863 1.00 43.23 C ATOM 295 O VAL A 20 12.658 1.656 -12.951 1.00 33.20 O ATOM 296 CB VAL A 20 10.943 -0.963 -12.046 1.00 53.32 C ATOM 297 CG1 VAL A 20 10.431 -2.345 -12.422 1.00 22.11 C ATOM 298 CG2 VAL A 20 12.318 -1.051 -11.402 1.00 41.13 C ATOM 0 H VAL A 20 12.829 -0.439 -14.202 1.00 0.43 H new ATOM 0 HA VAL A 20 9.981 0.036 -13.700 1.00 13.32 H new ATOM 0 HB VAL A 20 10.254 -0.532 -11.319 1.00 53.32 H new ATOM 0 HG11 VAL A 20 10.408 -2.978 -11.535 1.00 22.11 H new ATOM 0 HG12 VAL A 20 9.425 -2.261 -12.834 1.00 22.11 H new ATOM 0 HG13 VAL A 20 11.092 -2.788 -13.167 1.00 22.11 H new ATOM 0 HG21 VAL A 20 12.270 -1.702 -10.529 1.00 41.13 H new ATOM 0 HG22 VAL A 20 13.030 -1.458 -12.119 1.00 41.13 H new ATOM 0 HG23 VAL A 20 12.640 -0.056 -11.095 1.00 41.13 H new ATOM 308 N PRO A 21 10.537 2.175 -12.395 1.00 4.14 N ATOM 309 CA PRO A 21 10.848 3.537 -11.950 1.00 22.12 C ATOM 310 C PRO A 21 11.653 3.554 -10.655 1.00 0.23 C ATOM 311 O PRO A 21 11.217 3.021 -9.634 1.00 72.15 O ATOM 312 CB PRO A 21 9.468 4.162 -11.730 1.00 63.11 C ATOM 313 CG PRO A 21 8.569 3.007 -11.451 1.00 44.11 C ATOM 314 CD PRO A 21 9.105 1.860 -12.262 1.00 61.14 C ATOM 0 HA PRO A 21 11.463 4.072 -12.674 1.00 22.12 H new ATOM 0 HB2 PRO A 21 9.480 4.865 -10.897 1.00 63.11 H new ATOM 0 HB3 PRO A 21 9.140 4.716 -12.609 1.00 63.11 H new ATOM 0 HG2 PRO A 21 8.563 2.765 -10.388 1.00 44.11 H new ATOM 0 HG3 PRO A 21 7.541 3.236 -11.731 1.00 44.11 H new ATOM 0 HD2 PRO A 21 8.949 0.905 -11.760 1.00 61.14 H new ATOM 0 HD3 PRO A 21 8.617 1.793 -13.234 1.00 61.14 H new ATOM 322 N ASP A 22 12.829 4.170 -10.703 1.00 10.22 N ATOM 323 CA ASP A 22 13.694 4.258 -9.532 1.00 44.33 C ATOM 324 C ASP A 22 13.235 5.375 -8.600 1.00 21.33 C ATOM 325 O ASP A 22 13.501 6.551 -8.847 1.00 34.53 O ATOM 326 CB ASP A 22 15.143 4.498 -9.960 1.00 23.54 C ATOM 327 CG ASP A 22 16.074 4.675 -8.776 1.00 62.33 C ATOM 328 OD1 ASP A 22 15.803 4.078 -7.714 1.00 32.52 O ATOM 329 OD2 ASP A 22 17.074 5.411 -8.912 1.00 52.32 O ATOM 0 H ASP A 22 13.205 4.616 -11.540 1.00 10.22 H new ATOM 0 HA ASP A 22 13.633 3.312 -8.994 1.00 44.33 H new ATOM 0 HB2 ASP A 22 15.484 3.658 -10.565 1.00 23.54 H new ATOM 0 HB3 ASP A 22 15.190 5.385 -10.592 1.00 23.54 H new ATOM 334 N GLU A 23 12.544 4.997 -7.528 1.00 40.55 N ATOM 335 CA GLU A 23 12.046 5.968 -6.561 1.00 24.14 C ATOM 336 C GLU A 23 13.007 6.104 -5.383 1.00 65.30 C ATOM 337 O GLU A 23 12.599 6.428 -4.269 1.00 3.42 O ATOM 338 CB GLU A 23 10.661 5.556 -6.058 1.00 24.33 C ATOM 339 CG GLU A 23 9.652 6.692 -6.054 1.00 62.30 C ATOM 340 CD GLU A 23 9.629 7.456 -7.363 1.00 64.05 C ATOM 341 OE1 GLU A 23 9.735 6.813 -8.428 1.00 64.24 O ATOM 342 OE2 GLU A 23 9.505 8.698 -7.323 1.00 2.15 O ATOM 0 H GLU A 23 12.317 4.027 -7.308 1.00 40.55 H new ATOM 0 HA GLU A 23 11.971 6.934 -7.060 1.00 24.14 H new ATOM 0 HB2 GLU A 23 10.282 4.747 -6.683 1.00 24.33 H new ATOM 0 HB3 GLU A 23 10.754 5.160 -5.047 1.00 24.33 H new ATOM 0 HG2 GLU A 23 8.659 6.290 -5.855 1.00 62.30 H new ATOM 0 HG3 GLU A 23 9.887 7.379 -5.241 1.00 62.30 H new ATOM 349 N GLY A 24 14.288 5.852 -5.639 1.00 73.23 N ATOM 350 CA GLY A 24 15.287 5.950 -4.592 1.00 2.32 C ATOM 351 C GLY A 24 15.790 4.593 -4.140 1.00 55.23 C ATOM 352 O GLY A 24 16.397 4.470 -3.076 1.00 55.32 O ATOM 0 H GLY A 24 14.651 5.582 -6.553 1.00 73.23 H new ATOM 0 HA2 GLY A 24 16.127 6.544 -4.951 1.00 2.32 H new ATOM 0 HA3 GLY A 24 14.863 6.480 -3.739 1.00 2.32 H new ATOM 356 N PHE A 25 15.535 3.571 -4.950 1.00 22.40 N ATOM 357 CA PHE A 25 15.964 2.215 -4.627 1.00 34.32 C ATOM 358 C PHE A 25 17.485 2.103 -4.657 1.00 1.32 C ATOM 359 O PHE A 25 18.172 2.977 -5.186 1.00 11.22 O ATOM 360 CB PHE A 25 15.348 1.215 -5.608 1.00 43.13 C ATOM 361 CG PHE A 25 13.852 1.123 -5.511 1.00 23.30 C ATOM 362 CD1 PHE A 25 13.254 0.409 -4.485 1.00 63.32 C ATOM 363 CD2 PHE A 25 13.044 1.750 -6.446 1.00 21.43 C ATOM 364 CE1 PHE A 25 11.878 0.322 -4.393 1.00 11.05 C ATOM 365 CE2 PHE A 25 11.667 1.667 -6.358 1.00 23.21 C ATOM 366 CZ PHE A 25 11.084 0.951 -5.331 1.00 15.12 C ATOM 0 H PHE A 25 15.034 3.656 -5.834 1.00 22.40 H new ATOM 0 HA PHE A 25 15.621 1.983 -3.619 1.00 34.32 H new ATOM 0 HB2 PHE A 25 15.621 1.500 -6.624 1.00 43.13 H new ATOM 0 HB3 PHE A 25 15.777 0.229 -5.427 1.00 43.13 H new ATOM 0 HD1 PHE A 25 13.870 -0.085 -3.749 1.00 63.32 H new ATOM 0 HD2 PHE A 25 13.495 2.310 -7.252 1.00 21.43 H new ATOM 0 HE1 PHE A 25 11.424 -0.237 -3.588 1.00 11.05 H new ATOM 0 HE2 PHE A 25 11.048 2.162 -7.092 1.00 23.21 H new ATOM 0 HZ PHE A 25 10.008 0.883 -5.262 1.00 15.12 H new ATOM 376 N SER A 26 18.005 1.022 -4.084 1.00 73.04 N ATOM 377 CA SER A 26 19.445 0.797 -4.041 1.00 51.31 C ATOM 378 C SER A 26 19.795 -0.588 -4.577 1.00 40.51 C ATOM 379 O SER A 26 20.966 -0.907 -4.789 1.00 12.45 O ATOM 380 CB SER A 26 19.963 0.949 -2.610 1.00 21.34 C ATOM 381 OG SER A 26 21.352 0.677 -2.539 1.00 20.43 O ATOM 0 H SER A 26 17.450 0.288 -3.643 1.00 73.04 H new ATOM 0 HA SER A 26 19.924 1.544 -4.674 1.00 51.31 H new ATOM 0 HB2 SER A 26 19.769 1.961 -2.255 1.00 21.34 H new ATOM 0 HB3 SER A 26 19.422 0.271 -1.950 1.00 21.34 H new ATOM 0 HG SER A 26 21.593 0.024 -3.229 1.00 20.43 H new ATOM 387 N LEU A 27 18.772 -1.407 -4.795 1.00 1.43 N ATOM 388 CA LEU A 27 18.970 -2.758 -5.306 1.00 73.43 C ATOM 389 C LEU A 27 17.691 -3.291 -5.945 1.00 21.31 C ATOM 390 O LEU A 27 16.592 -3.074 -5.434 1.00 22.12 O ATOM 391 CB LEU A 27 19.418 -3.691 -4.179 1.00 55.14 C ATOM 392 CG LEU A 27 19.019 -5.160 -4.326 1.00 2.03 C ATOM 393 CD1 LEU A 27 17.522 -5.330 -4.120 1.00 61.11 C ATOM 394 CD2 LEU A 27 19.436 -5.692 -5.689 1.00 61.30 C ATOM 0 H LEU A 27 17.797 -1.159 -4.626 1.00 1.43 H new ATOM 0 HA LEU A 27 19.748 -2.721 -6.069 1.00 73.43 H new ATOM 0 HB2 LEU A 27 20.504 -3.636 -4.099 1.00 55.14 H new ATOM 0 HB3 LEU A 27 19.010 -3.316 -3.240 1.00 55.14 H new ATOM 0 HG LEU A 27 19.538 -5.736 -3.560 1.00 2.03 H new ATOM 0 HD11 LEU A 27 17.257 -6.382 -4.228 1.00 61.11 H new ATOM 0 HD12 LEU A 27 17.251 -4.989 -3.121 1.00 61.11 H new ATOM 0 HD13 LEU A 27 16.983 -4.742 -4.863 1.00 61.11 H new ATOM 0 HD21 LEU A 27 19.144 -6.739 -5.776 1.00 61.30 H new ATOM 0 HD22 LEU A 27 18.946 -5.112 -6.471 1.00 61.30 H new ATOM 0 HD23 LEU A 27 20.517 -5.607 -5.798 1.00 61.30 H new ATOM 406 N PHE A 28 17.842 -3.992 -7.064 1.00 43.30 N ATOM 407 CA PHE A 28 16.700 -4.557 -7.772 1.00 72.32 C ATOM 408 C PHE A 28 16.970 -6.005 -8.172 1.00 41.11 C ATOM 409 O PHE A 28 18.118 -6.402 -8.368 1.00 3.15 O ATOM 410 CB PHE A 28 16.380 -3.724 -9.015 1.00 72.20 C ATOM 411 CG PHE A 28 15.131 -4.162 -9.725 1.00 33.11 C ATOM 412 CD1 PHE A 28 13.958 -4.382 -9.020 1.00 3.00 C ATOM 413 CD2 PHE A 28 15.129 -4.354 -11.097 1.00 60.31 C ATOM 414 CE1 PHE A 28 12.807 -4.785 -9.670 1.00 51.42 C ATOM 415 CE2 PHE A 28 13.981 -4.756 -11.753 1.00 33.33 C ATOM 416 CZ PHE A 28 12.819 -4.973 -11.038 1.00 54.13 C ATOM 0 H PHE A 28 18.744 -4.182 -7.500 1.00 43.30 H new ATOM 0 HA PHE A 28 15.842 -4.538 -7.100 1.00 72.32 H new ATOM 0 HB2 PHE A 28 16.276 -2.678 -8.725 1.00 72.20 H new ATOM 0 HB3 PHE A 28 17.220 -3.781 -9.707 1.00 72.20 H new ATOM 0 HD1 PHE A 28 13.943 -4.237 -7.950 1.00 3.00 H new ATOM 0 HD2 PHE A 28 16.035 -4.188 -11.661 1.00 60.31 H new ATOM 0 HE1 PHE A 28 11.900 -4.953 -9.109 1.00 51.42 H new ATOM 0 HE2 PHE A 28 13.992 -4.900 -12.823 1.00 33.33 H new ATOM 0 HZ PHE A 28 11.921 -5.289 -11.548 1.00 54.13 H new ATOM 426 N ALA A 29 15.903 -6.789 -8.291 1.00 44.51 N ATOM 427 CA ALA A 29 16.024 -8.191 -8.669 1.00 23.22 C ATOM 428 C ALA A 29 14.970 -8.574 -9.702 1.00 21.31 C ATOM 429 O ALA A 29 13.983 -7.863 -9.889 1.00 74.22 O ATOM 430 CB ALA A 29 15.909 -9.081 -7.440 1.00 2.54 C ATOM 0 H ALA A 29 14.945 -6.476 -8.131 1.00 44.51 H new ATOM 0 HA ALA A 29 17.006 -8.337 -9.119 1.00 23.22 H new ATOM 0 HB1 ALA A 29 16.001 -10.126 -7.737 1.00 2.54 H new ATOM 0 HB2 ALA A 29 16.703 -8.833 -6.735 1.00 2.54 H new ATOM 0 HB3 ALA A 29 14.940 -8.923 -6.966 1.00 2.54 H new ATOM 436 N PHE A 30 15.186 -9.702 -10.371 1.00 24.01 N ATOM 437 CA PHE A 30 14.255 -10.179 -11.387 1.00 4.21 C ATOM 438 C PHE A 30 14.240 -11.704 -11.437 1.00 55.35 C ATOM 439 O PHE A 30 15.229 -12.334 -11.812 1.00 20.13 O ATOM 440 CB PHE A 30 14.632 -9.616 -12.759 1.00 3.32 C ATOM 441 CG PHE A 30 13.647 -9.959 -13.839 1.00 53.10 C ATOM 442 CD1 PHE A 30 13.459 -11.274 -14.232 1.00 25.31 C ATOM 443 CD2 PHE A 30 12.908 -8.966 -14.462 1.00 51.00 C ATOM 444 CE1 PHE A 30 12.553 -11.594 -15.225 1.00 40.33 C ATOM 445 CE2 PHE A 30 12.000 -9.279 -15.456 1.00 32.33 C ATOM 446 CZ PHE A 30 11.823 -10.595 -15.839 1.00 1.43 C ATOM 0 H PHE A 30 15.998 -10.303 -10.228 1.00 24.01 H new ATOM 0 HA PHE A 30 13.257 -9.832 -11.121 1.00 4.21 H new ATOM 0 HB2 PHE A 30 14.717 -8.532 -12.687 1.00 3.32 H new ATOM 0 HB3 PHE A 30 15.614 -9.995 -13.041 1.00 3.32 H new ATOM 0 HD1 PHE A 30 14.028 -12.059 -13.756 1.00 25.31 H new ATOM 0 HD2 PHE A 30 13.043 -7.936 -14.167 1.00 51.00 H new ATOM 0 HE1 PHE A 30 12.416 -12.624 -15.521 1.00 40.33 H new ATOM 0 HE2 PHE A 30 11.429 -8.496 -15.933 1.00 32.33 H new ATOM 0 HZ PHE A 30 11.115 -10.842 -16.617 1.00 1.43 H new ATOM 456 N HIS A 31 13.109 -12.291 -11.057 1.00 41.24 N ATOM 457 CA HIS A 31 12.963 -13.742 -11.059 1.00 22.10 C ATOM 458 C HIS A 31 11.527 -14.143 -11.382 1.00 62.45 C ATOM 459 O HIS A 31 10.673 -14.196 -10.499 1.00 13.50 O ATOM 460 CB HIS A 31 13.373 -14.318 -9.703 1.00 61.55 C ATOM 461 CG HIS A 31 14.560 -15.230 -9.774 1.00 55.12 C ATOM 462 ND1 HIS A 31 14.496 -16.510 -10.283 1.00 41.34 N ATOM 463 CD2 HIS A 31 15.846 -15.040 -9.398 1.00 13.42 C ATOM 464 CE1 HIS A 31 15.692 -17.068 -10.216 1.00 15.14 C ATOM 465 NE2 HIS A 31 16.529 -16.196 -9.682 1.00 73.54 N ATOM 0 H HIS A 31 12.281 -11.784 -10.744 1.00 41.24 H new ATOM 0 HA HIS A 31 13.617 -14.148 -11.831 1.00 22.10 H new ATOM 0 HB2 HIS A 31 13.596 -13.497 -9.021 1.00 61.55 H new ATOM 0 HB3 HIS A 31 12.530 -14.864 -9.280 1.00 61.55 H new ATOM 0 HD2 HIS A 31 16.258 -14.145 -8.956 1.00 13.42 H new ATOM 0 HE1 HIS A 31 15.943 -18.067 -10.542 1.00 15.14 H new ATOM 0 HE2 HIS A 31 17.521 -16.356 -9.509 1.00 73.54 H new ATOM 473 N GLY A 32 11.269 -14.426 -12.656 1.00 1.30 N ATOM 474 CA GLY A 32 9.936 -14.818 -13.073 1.00 54.44 C ATOM 475 C GLY A 32 9.955 -15.825 -14.206 1.00 1.11 C ATOM 476 O GLY A 32 11.017 -16.306 -14.601 1.00 63.10 O ATOM 0 H GLY A 32 11.960 -14.391 -13.406 1.00 1.30 H new ATOM 0 HA2 GLY A 32 9.403 -15.243 -12.222 1.00 54.44 H new ATOM 0 HA3 GLY A 32 9.382 -13.933 -13.387 1.00 54.44 H new ATOM 480 N LYS A 33 8.777 -16.147 -14.730 1.00 2.15 N ATOM 481 CA LYS A 33 8.661 -17.104 -15.823 1.00 65.13 C ATOM 482 C LYS A 33 7.714 -16.587 -16.901 1.00 42.21 C ATOM 483 O LYS A 33 7.387 -15.400 -16.937 1.00 44.31 O ATOM 484 CB LYS A 33 8.165 -18.453 -15.298 1.00 1.13 C ATOM 485 CG LYS A 33 8.947 -18.964 -14.100 1.00 64.34 C ATOM 486 CD LYS A 33 8.024 -19.392 -12.972 1.00 72.23 C ATOM 487 CE LYS A 33 7.308 -20.693 -13.301 1.00 73.22 C ATOM 488 NZ LYS A 33 8.203 -21.873 -13.150 1.00 25.13 N ATOM 0 H LYS A 33 7.888 -15.758 -14.414 1.00 2.15 H new ATOM 0 HA LYS A 33 9.649 -17.234 -16.264 1.00 65.13 H new ATOM 0 HB2 LYS A 33 7.114 -18.362 -15.024 1.00 1.13 H new ATOM 0 HB3 LYS A 33 8.223 -19.189 -16.100 1.00 1.13 H new ATOM 0 HG2 LYS A 33 9.568 -19.807 -14.403 1.00 64.34 H new ATOM 0 HG3 LYS A 33 9.620 -18.184 -13.744 1.00 64.34 H new ATOM 0 HD2 LYS A 33 8.601 -19.515 -12.055 1.00 72.23 H new ATOM 0 HD3 LYS A 33 7.290 -18.609 -12.784 1.00 72.23 H new ATOM 0 HE2 LYS A 33 6.444 -20.807 -12.647 1.00 73.22 H new ATOM 0 HE3 LYS A 33 6.931 -20.652 -14.323 1.00 73.22 H new ATOM 0 HZ1 LYS A 33 7.698 -22.732 -13.448 1.00 25.13 H new ATOM 0 HZ2 LYS A 33 9.049 -21.745 -13.742 1.00 25.13 H new ATOM 0 HZ3 LYS A 33 8.488 -21.967 -12.154 1.00 25.13 H new ATOM 502 N LEU A 34 7.275 -17.484 -17.777 1.00 22.23 N ATOM 503 CA LEU A 34 6.363 -17.118 -18.855 1.00 63.51 C ATOM 504 C LEU A 34 5.308 -18.200 -19.066 1.00 42.41 C ATOM 505 O LEU A 34 5.606 -19.392 -19.003 1.00 14.42 O ATOM 506 CB LEU A 34 7.142 -16.889 -20.152 1.00 34.31 C ATOM 507 CG LEU A 34 6.300 -16.692 -21.414 1.00 25.15 C ATOM 508 CD1 LEU A 34 6.161 -15.213 -21.736 1.00 42.53 C ATOM 509 CD2 LEU A 34 6.916 -17.440 -22.587 1.00 72.31 C ATOM 0 H LEU A 34 7.536 -18.470 -17.762 1.00 22.23 H new ATOM 0 HA LEU A 34 5.858 -16.194 -18.574 1.00 63.51 H new ATOM 0 HB2 LEU A 34 7.776 -16.012 -20.022 1.00 34.31 H new ATOM 0 HB3 LEU A 34 7.804 -17.740 -20.310 1.00 34.31 H new ATOM 0 HG LEU A 34 5.305 -17.098 -21.232 1.00 25.15 H new ATOM 0 HD11 LEU A 34 5.559 -15.092 -22.637 1.00 42.53 H new ATOM 0 HD12 LEU A 34 5.675 -14.703 -20.904 1.00 42.53 H new ATOM 0 HD13 LEU A 34 7.149 -14.782 -21.899 1.00 42.53 H new ATOM 0 HD21 LEU A 34 6.304 -17.289 -23.476 1.00 72.31 H new ATOM 0 HD22 LEU A 34 7.922 -17.064 -22.771 1.00 72.31 H new ATOM 0 HD23 LEU A 34 6.963 -18.504 -22.356 1.00 72.31 H new ATOM 521 N ASN A 35 4.075 -17.774 -19.319 1.00 52.02 N ATOM 522 CA ASN A 35 2.975 -18.706 -19.542 1.00 2.04 C ATOM 523 C ASN A 35 2.901 -19.737 -18.420 1.00 21.41 C ATOM 524 O ASN A 35 2.334 -20.816 -18.592 1.00 40.21 O ATOM 525 CB ASN A 35 3.142 -19.412 -20.889 1.00 22.14 C ATOM 526 CG ASN A 35 3.412 -18.440 -22.021 1.00 63.42 C ATOM 527 OD1 ASN A 35 3.843 -18.836 -23.104 1.00 64.52 O ATOM 528 ND2 ASN A 35 3.160 -17.160 -21.775 1.00 74.21 N ATOM 0 H ASN A 35 3.812 -16.790 -19.375 1.00 52.02 H new ATOM 0 HA ASN A 35 2.045 -18.137 -19.551 1.00 2.04 H new ATOM 0 HB2 ASN A 35 3.963 -20.126 -20.823 1.00 22.14 H new ATOM 0 HB3 ASN A 35 2.241 -19.983 -21.111 1.00 22.14 H new ATOM 0 HD21 ASN A 35 3.323 -16.460 -22.499 1.00 74.21 H new ATOM 0 HD22 ASN A 35 2.803 -16.877 -20.862 1.00 74.21 H new ATOM 535 N GLU A 36 3.478 -19.397 -17.271 1.00 74.23 N ATOM 536 CA GLU A 36 3.477 -20.294 -16.122 1.00 33.23 C ATOM 537 C GLU A 36 3.651 -19.513 -14.822 1.00 62.52 C ATOM 538 O GLU A 36 4.623 -18.778 -14.654 1.00 43.04 O ATOM 539 CB GLU A 36 4.590 -21.335 -16.258 1.00 2.22 C ATOM 540 CG GLU A 36 4.701 -22.268 -15.063 1.00 51.44 C ATOM 541 CD GLU A 36 5.802 -23.297 -15.227 1.00 60.13 C ATOM 542 OE1 GLU A 36 6.097 -23.670 -16.382 1.00 63.31 O ATOM 543 OE2 GLU A 36 6.368 -23.730 -14.202 1.00 1.41 O ATOM 0 H GLU A 36 3.951 -18.508 -17.112 1.00 74.23 H new ATOM 0 HA GLU A 36 2.514 -20.805 -16.093 1.00 33.23 H new ATOM 0 HB2 GLU A 36 4.414 -21.928 -17.156 1.00 2.22 H new ATOM 0 HB3 GLU A 36 5.541 -20.821 -16.397 1.00 2.22 H new ATOM 0 HG2 GLU A 36 4.889 -21.681 -14.164 1.00 51.44 H new ATOM 0 HG3 GLU A 36 3.750 -22.779 -14.916 1.00 51.44 H new ATOM 550 N GLU A 37 2.702 -19.679 -13.907 1.00 34.52 N ATOM 551 CA GLU A 37 2.750 -18.989 -12.623 1.00 73.23 C ATOM 552 C GLU A 37 3.391 -19.871 -11.555 1.00 54.22 C ATOM 553 O GLU A 37 3.156 -21.078 -11.509 1.00 62.04 O ATOM 554 CB GLU A 37 1.342 -18.581 -12.186 1.00 14.25 C ATOM 555 CG GLU A 37 0.453 -19.757 -11.818 1.00 62.40 C ATOM 556 CD GLU A 37 -0.718 -19.353 -10.944 1.00 72.31 C ATOM 557 OE1 GLU A 37 -0.481 -18.783 -9.859 1.00 23.53 O ATOM 558 OE2 GLU A 37 -1.873 -19.607 -11.346 1.00 71.15 O ATOM 0 H GLU A 37 1.891 -20.285 -14.030 1.00 34.52 H new ATOM 0 HA GLU A 37 3.359 -18.093 -12.743 1.00 73.23 H new ATOM 0 HB2 GLU A 37 1.417 -17.911 -11.329 1.00 14.25 H new ATOM 0 HB3 GLU A 37 0.870 -18.018 -12.991 1.00 14.25 H new ATOM 0 HG2 GLU A 37 0.078 -20.223 -12.729 1.00 62.40 H new ATOM 0 HG3 GLU A 37 1.047 -20.508 -11.298 1.00 62.40 H new ATOM 565 N MET A 38 4.201 -19.258 -10.699 1.00 0.24 N ATOM 566 CA MET A 38 4.876 -19.986 -9.630 1.00 75.34 C ATOM 567 C MET A 38 4.100 -19.874 -8.322 1.00 11.12 C ATOM 568 O MET A 38 3.002 -19.320 -8.287 1.00 11.30 O ATOM 569 CB MET A 38 6.298 -19.455 -9.441 1.00 72.40 C ATOM 570 CG MET A 38 6.389 -17.938 -9.471 1.00 61.40 C ATOM 571 SD MET A 38 7.896 -17.318 -8.700 1.00 1.15 S ATOM 572 CE MET A 38 8.899 -16.975 -10.143 1.00 41.13 C ATOM 0 H MET A 38 4.406 -18.259 -10.724 1.00 0.24 H new ATOM 0 HA MET A 38 4.924 -21.037 -9.914 1.00 75.34 H new ATOM 0 HB2 MET A 38 6.688 -19.815 -8.489 1.00 72.40 H new ATOM 0 HB3 MET A 38 6.937 -19.865 -10.223 1.00 72.40 H new ATOM 0 HG2 MET A 38 6.347 -17.596 -10.505 1.00 61.40 H new ATOM 0 HG3 MET A 38 5.524 -17.516 -8.960 1.00 61.40 H new ATOM 0 HE1 MET A 38 9.781 -16.407 -9.847 1.00 41.13 H new ATOM 0 HE2 MET A 38 9.209 -17.914 -10.602 1.00 41.13 H new ATOM 0 HE3 MET A 38 8.318 -16.395 -10.860 1.00 41.13 H new ATOM 582 N GLU A 39 4.679 -20.404 -7.249 1.00 15.35 N ATOM 583 CA GLU A 39 4.039 -20.363 -5.938 1.00 44.15 C ATOM 584 C GLU A 39 5.082 -20.315 -4.826 1.00 24.34 C ATOM 585 O GLU A 39 6.228 -20.720 -5.016 1.00 45.12 O ATOM 586 CB GLU A 39 3.132 -21.581 -5.751 1.00 5.13 C ATOM 587 CG GLU A 39 1.788 -21.248 -5.127 1.00 14.11 C ATOM 588 CD GLU A 39 1.107 -22.462 -4.525 1.00 72.15 C ATOM 589 OE1 GLU A 39 1.581 -22.952 -3.479 1.00 42.44 O ATOM 590 OE2 GLU A 39 0.099 -22.922 -5.102 1.00 32.43 O ATOM 0 H GLU A 39 5.588 -20.866 -7.261 1.00 15.35 H new ATOM 0 HA GLU A 39 3.434 -19.458 -5.884 1.00 44.15 H new ATOM 0 HB2 GLU A 39 2.967 -22.053 -6.720 1.00 5.13 H new ATOM 0 HB3 GLU A 39 3.643 -22.311 -5.124 1.00 5.13 H new ATOM 0 HG2 GLU A 39 1.928 -20.494 -4.353 1.00 14.11 H new ATOM 0 HG3 GLU A 39 1.138 -20.810 -5.885 1.00 14.11 H new ATOM 597 N GLY A 40 4.676 -19.817 -3.662 1.00 15.21 N ATOM 598 CA GLY A 40 5.586 -19.724 -2.536 1.00 31.34 C ATOM 599 C GLY A 40 6.824 -18.911 -2.856 1.00 42.12 C ATOM 600 O GLY A 40 7.919 -19.221 -2.386 1.00 23.44 O ATOM 0 H GLY A 40 3.732 -19.476 -3.479 1.00 15.21 H new ATOM 0 HA2 GLY A 40 5.067 -19.273 -1.690 1.00 31.34 H new ATOM 0 HA3 GLY A 40 5.883 -20.727 -2.229 1.00 31.34 H new ATOM 604 N LEU A 41 6.653 -17.868 -3.660 1.00 53.54 N ATOM 605 CA LEU A 41 7.766 -17.007 -4.045 1.00 61.25 C ATOM 606 C LEU A 41 9.047 -17.818 -4.217 1.00 53.21 C ATOM 607 O LEU A 41 9.869 -17.897 -3.305 1.00 12.10 O ATOM 608 CB LEU A 41 7.978 -15.914 -2.997 1.00 13.21 C ATOM 609 CG LEU A 41 6.737 -15.111 -2.605 1.00 1.51 C ATOM 610 CD1 LEU A 41 6.817 -14.682 -1.148 1.00 42.51 C ATOM 611 CD2 LEU A 41 6.578 -13.899 -3.512 1.00 12.24 C ATOM 0 H LEU A 41 5.754 -17.598 -4.058 1.00 53.54 H new ATOM 0 HA LEU A 41 7.520 -16.543 -5.000 1.00 61.25 H new ATOM 0 HB2 LEU A 41 8.387 -16.375 -2.098 1.00 13.21 H new ATOM 0 HB3 LEU A 41 8.732 -15.221 -3.371 1.00 13.21 H new ATOM 0 HG LEU A 41 5.861 -15.749 -2.727 1.00 1.51 H new ATOM 0 HD11 LEU A 41 5.925 -14.112 -0.887 1.00 42.51 H new ATOM 0 HD12 LEU A 41 6.882 -15.565 -0.512 1.00 42.51 H new ATOM 0 HD13 LEU A 41 7.701 -14.062 -0.999 1.00 42.51 H new ATOM 0 HD21 LEU A 41 5.690 -13.339 -3.219 1.00 12.24 H new ATOM 0 HD22 LEU A 41 7.456 -13.260 -3.422 1.00 12.24 H new ATOM 0 HD23 LEU A 41 6.474 -14.229 -4.546 1.00 12.24 H new ATOM 623 N GLU A 42 9.209 -18.416 -5.393 1.00 21.41 N ATOM 624 CA GLU A 42 10.391 -19.220 -5.684 1.00 11.43 C ATOM 625 C GLU A 42 11.088 -18.724 -6.948 1.00 32.43 C ATOM 626 O GLU A 42 10.550 -17.895 -7.681 1.00 63.53 O ATOM 627 CB GLU A 42 10.007 -20.692 -5.843 1.00 63.22 C ATOM 628 CG GLU A 42 9.185 -20.975 -7.089 1.00 34.41 C ATOM 629 CD GLU A 42 8.877 -22.450 -7.262 1.00 60.11 C ATOM 630 OE1 GLU A 42 8.639 -23.130 -6.242 1.00 11.33 O ATOM 631 OE2 GLU A 42 8.875 -22.925 -8.417 1.00 53.41 O ATOM 0 H GLU A 42 8.538 -18.359 -6.159 1.00 21.41 H new ATOM 0 HA GLU A 42 11.082 -19.121 -4.847 1.00 11.43 H new ATOM 0 HB2 GLU A 42 10.915 -21.295 -5.872 1.00 63.22 H new ATOM 0 HB3 GLU A 42 9.443 -21.008 -4.966 1.00 63.22 H new ATOM 0 HG2 GLU A 42 8.251 -20.416 -7.038 1.00 34.41 H new ATOM 0 HG3 GLU A 42 9.724 -20.615 -7.965 1.00 34.41 H new ATOM 638 N ALA A 43 12.288 -19.239 -7.195 1.00 2.35 N ATOM 639 CA ALA A 43 13.059 -18.851 -8.369 1.00 54.35 C ATOM 640 C ALA A 43 12.558 -19.571 -9.617 1.00 30.23 C ATOM 641 O ALA A 43 12.916 -20.721 -9.867 1.00 33.54 O ATOM 642 CB ALA A 43 14.537 -19.137 -8.150 1.00 14.03 C ATOM 0 H ALA A 43 12.747 -19.926 -6.597 1.00 2.35 H new ATOM 0 HA ALA A 43 12.927 -17.780 -8.521 1.00 54.35 H new ATOM 0 HB1 ALA A 43 15.100 -18.842 -9.036 1.00 14.03 H new ATOM 0 HB2 ALA A 43 14.893 -18.572 -7.289 1.00 14.03 H new ATOM 0 HB3 ALA A 43 14.678 -20.202 -7.969 1.00 14.03 H new ATOM 648 N GLY A 44 11.727 -18.887 -10.397 1.00 11.41 N ATOM 649 CA GLY A 44 11.190 -19.478 -11.608 1.00 70.24 C ATOM 650 C GLY A 44 12.269 -19.808 -12.620 1.00 25.50 C ATOM 651 O GLY A 44 13.121 -20.664 -12.374 1.00 13.43 O ATOM 0 H GLY A 44 11.416 -17.933 -10.211 1.00 11.41 H new ATOM 0 HA2 GLY A 44 10.644 -20.387 -11.354 1.00 70.24 H new ATOM 0 HA3 GLY A 44 10.473 -18.791 -12.057 1.00 70.24 H new ATOM 655 N HIS A 45 12.235 -19.131 -13.763 1.00 13.51 N ATOM 656 CA HIS A 45 13.218 -19.357 -14.817 1.00 35.55 C ATOM 657 C HIS A 45 14.242 -18.227 -14.857 1.00 32.44 C ATOM 658 O HIS A 45 15.433 -18.449 -14.637 1.00 53.50 O ATOM 659 CB HIS A 45 12.523 -19.480 -16.173 1.00 71.21 C ATOM 660 CG HIS A 45 13.148 -20.499 -17.076 1.00 34.02 C ATOM 661 ND1 HIS A 45 14.503 -20.555 -17.323 1.00 70.31 N ATOM 662 CD2 HIS A 45 12.594 -21.506 -17.791 1.00 21.20 C ATOM 663 CE1 HIS A 45 14.756 -21.552 -18.153 1.00 11.24 C ATOM 664 NE2 HIS A 45 13.614 -22.145 -18.451 1.00 64.24 N ATOM 0 H HIS A 45 11.537 -18.421 -13.983 1.00 13.51 H new ATOM 0 HA HIS A 45 13.740 -20.288 -14.599 1.00 35.55 H new ATOM 0 HB2 HIS A 45 11.477 -19.741 -16.014 1.00 71.21 H new ATOM 0 HB3 HIS A 45 12.538 -18.509 -16.669 1.00 71.21 H new ATOM 0 HD2 HIS A 45 11.545 -21.759 -17.834 1.00 21.20 H new ATOM 0 HE1 HIS A 45 15.730 -21.834 -18.524 1.00 11.24 H new ATOM 0 HE2 HIS A 45 13.507 -22.948 -19.071 1.00 64.24 H new ATOM 672 N TRP A 46 13.771 -17.018 -15.139 1.00 35.43 N ATOM 673 CA TRP A 46 14.646 -15.854 -15.208 1.00 42.03 C ATOM 674 C TRP A 46 15.333 -15.609 -13.869 1.00 42.35 C ATOM 675 O TRP A 46 14.828 -16.006 -12.820 1.00 34.40 O ATOM 676 CB TRP A 46 13.850 -14.615 -15.621 1.00 73.24 C ATOM 677 CG TRP A 46 13.277 -14.711 -17.003 1.00 41.32 C ATOM 678 CD1 TRP A 46 13.940 -15.069 -18.142 1.00 60.21 C ATOM 679 CD2 TRP A 46 11.925 -14.442 -17.391 1.00 44.11 C ATOM 680 NE1 TRP A 46 13.082 -15.039 -19.215 1.00 32.42 N ATOM 681 CE2 TRP A 46 11.840 -14.659 -18.780 1.00 52.54 C ATOM 682 CE3 TRP A 46 10.779 -14.042 -16.700 1.00 53.51 C ATOM 683 CZ2 TRP A 46 10.653 -14.486 -19.489 1.00 25.34 C ATOM 684 CZ3 TRP A 46 9.602 -13.871 -17.404 1.00 42.35 C ATOM 685 CH2 TRP A 46 9.546 -14.094 -18.787 1.00 3.43 C ATOM 0 H TRP A 46 12.788 -16.818 -15.324 1.00 35.43 H new ATOM 0 HA TRP A 46 15.412 -16.051 -15.958 1.00 42.03 H new ATOM 0 HB2 TRP A 46 13.039 -14.459 -14.909 1.00 73.24 H new ATOM 0 HB3 TRP A 46 14.498 -13.740 -15.564 1.00 73.24 H new ATOM 0 HD1 TRP A 46 14.985 -15.336 -18.192 1.00 60.21 H new ATOM 0 HE1 TRP A 46 13.330 -15.263 -20.179 1.00 32.42 H new ATOM 0 HE3 TRP A 46 10.812 -13.869 -15.634 1.00 53.51 H new ATOM 0 HZ2 TRP A 46 10.608 -14.655 -20.555 1.00 25.34 H new ATOM 0 HZ3 TRP A 46 8.710 -13.560 -16.880 1.00 42.35 H new ATOM 0 HH2 TRP A 46 8.611 -13.954 -19.308 1.00 3.43 H new ATOM 696 N SER A 47 16.488 -14.951 -13.913 1.00 74.41 N ATOM 697 CA SER A 47 17.246 -14.656 -12.703 1.00 34.52 C ATOM 698 C SER A 47 18.244 -13.529 -12.948 1.00 61.42 C ATOM 699 O SER A 47 19.188 -13.680 -13.724 1.00 40.32 O ATOM 700 CB SER A 47 17.980 -15.908 -12.218 1.00 45.22 C ATOM 701 OG SER A 47 18.795 -16.450 -13.243 1.00 42.32 O ATOM 0 H SER A 47 16.919 -14.612 -14.773 1.00 74.41 H new ATOM 0 HA SER A 47 16.544 -14.334 -11.933 1.00 34.52 H new ATOM 0 HB2 SER A 47 18.595 -15.661 -11.353 1.00 45.22 H new ATOM 0 HB3 SER A 47 17.256 -16.655 -11.892 1.00 45.22 H new ATOM 0 HG SER A 47 19.204 -15.722 -13.755 1.00 42.32 H new ATOM 707 N ARG A 48 18.028 -12.400 -12.281 1.00 63.51 N ATOM 708 CA ARG A 48 18.908 -11.247 -12.427 1.00 13.21 C ATOM 709 C ARG A 48 18.818 -10.337 -11.205 1.00 54.35 C ATOM 710 O ARG A 48 17.772 -10.247 -10.562 1.00 0.14 O ATOM 711 CB ARG A 48 18.548 -10.461 -13.689 1.00 62.03 C ATOM 712 CG ARG A 48 19.339 -9.173 -13.851 1.00 14.24 C ATOM 713 CD ARG A 48 20.790 -9.451 -14.210 1.00 12.13 C ATOM 714 NE ARG A 48 20.909 -10.435 -15.282 1.00 24.53 N ATOM 715 CZ ARG A 48 22.045 -11.053 -15.589 1.00 53.22 C ATOM 716 NH1 ARG A 48 23.152 -10.789 -14.909 1.00 51.24 N ATOM 717 NH2 ARG A 48 22.074 -11.937 -16.578 1.00 53.24 N ATOM 0 H ARG A 48 17.252 -12.259 -11.635 1.00 63.51 H new ATOM 0 HA ARG A 48 19.932 -11.611 -12.513 1.00 13.21 H new ATOM 0 HB2 ARG A 48 18.717 -11.093 -14.561 1.00 62.03 H new ATOM 0 HB3 ARG A 48 17.484 -10.224 -13.668 1.00 62.03 H new ATOM 0 HG2 ARG A 48 18.882 -8.560 -14.628 1.00 14.24 H new ATOM 0 HG3 ARG A 48 19.296 -8.599 -12.925 1.00 14.24 H new ATOM 0 HD2 ARG A 48 21.272 -8.522 -14.515 1.00 12.13 H new ATOM 0 HD3 ARG A 48 21.319 -9.810 -13.328 1.00 12.13 H new ATOM 0 HE ARG A 48 20.075 -10.660 -15.825 1.00 24.53 H new ATOM 0 HH11 ARG A 48 23.133 -10.110 -14.148 1.00 51.24 H new ATOM 0 HH12 ARG A 48 24.022 -11.265 -15.147 1.00 51.24 H new ATOM 0 HH21 ARG A 48 21.224 -12.143 -17.103 1.00 53.24 H new ATOM 0 HH22 ARG A 48 22.946 -12.411 -16.813 1.00 53.24 H new ATOM 731 N ASP A 49 19.920 -9.665 -10.893 1.00 12.45 N ATOM 732 CA ASP A 49 19.966 -8.761 -9.749 1.00 15.12 C ATOM 733 C ASP A 49 20.745 -7.494 -10.088 1.00 72.10 C ATOM 734 O ASP A 49 21.976 -7.500 -10.116 1.00 51.04 O ATOM 735 CB ASP A 49 20.601 -9.459 -8.545 1.00 43.24 C ATOM 736 CG ASP A 49 21.542 -8.550 -7.779 1.00 50.33 C ATOM 737 OD1 ASP A 49 21.126 -7.426 -7.428 1.00 74.12 O ATOM 738 OD2 ASP A 49 22.695 -8.961 -7.532 1.00 31.44 O ATOM 0 H ASP A 49 20.794 -9.729 -11.416 1.00 12.45 H new ATOM 0 HA ASP A 49 18.943 -8.480 -9.498 1.00 15.12 H new ATOM 0 HB2 ASP A 49 19.815 -9.810 -7.876 1.00 43.24 H new ATOM 0 HB3 ASP A 49 21.147 -10.339 -8.885 1.00 43.24 H new ATOM 743 N ILE A 50 20.020 -6.411 -10.345 1.00 52.25 N ATOM 744 CA ILE A 50 20.643 -5.137 -10.683 1.00 25.33 C ATOM 745 C ILE A 50 20.905 -4.305 -9.432 1.00 41.01 C ATOM 746 O ILE A 50 19.975 -3.925 -8.720 1.00 4.45 O ATOM 747 CB ILE A 50 19.770 -4.322 -11.655 1.00 33.45 C ATOM 748 CG1 ILE A 50 19.348 -5.188 -12.844 1.00 44.30 C ATOM 749 CG2 ILE A 50 20.518 -3.086 -12.130 1.00 62.35 C ATOM 750 CD1 ILE A 50 20.452 -5.402 -13.856 1.00 52.34 C ATOM 0 H ILE A 50 19.000 -6.390 -10.326 1.00 52.25 H new ATOM 0 HA ILE A 50 21.591 -5.369 -11.168 1.00 25.33 H new ATOM 0 HB ILE A 50 18.872 -3.998 -11.129 1.00 33.45 H new ATOM 0 HG12 ILE A 50 19.010 -6.157 -12.476 1.00 44.30 H new ATOM 0 HG13 ILE A 50 18.497 -4.721 -13.340 1.00 44.30 H new ATOM 0 HG21 ILE A 50 19.888 -2.521 -12.816 1.00 62.35 H new ATOM 0 HG22 ILE A 50 20.772 -2.462 -11.273 1.00 62.35 H new ATOM 0 HG23 ILE A 50 21.432 -3.388 -12.642 1.00 62.35 H new ATOM 0 HD11 ILE A 50 20.083 -6.024 -14.671 1.00 52.34 H new ATOM 0 HD12 ILE A 50 20.774 -4.439 -14.252 1.00 52.34 H new ATOM 0 HD13 ILE A 50 21.296 -5.897 -13.375 1.00 52.34 H new ATOM 762 N THR A 51 22.178 -4.023 -9.171 1.00 32.12 N ATOM 763 CA THR A 51 22.563 -3.235 -8.007 1.00 33.12 C ATOM 764 C THR A 51 22.921 -1.807 -8.403 1.00 74.42 C ATOM 765 O THR A 51 23.805 -1.190 -7.809 1.00 51.03 O ATOM 766 CB THR A 51 23.760 -3.867 -7.271 1.00 73.04 C ATOM 767 OG1 THR A 51 24.778 -4.227 -8.212 1.00 32.12 O ATOM 768 CG2 THR A 51 23.326 -5.098 -6.490 1.00 0.13 C ATOM 0 H THR A 51 22.960 -4.329 -9.750 1.00 32.12 H new ATOM 0 HA THR A 51 21.702 -3.219 -7.338 1.00 33.12 H new ATOM 0 HB THR A 51 24.157 -3.133 -6.570 1.00 73.04 H new ATOM 0 HG1 THR A 51 25.536 -4.626 -7.737 1.00 32.12 H new ATOM 0 HG21 THR A 51 24.188 -5.527 -5.979 1.00 0.13 H new ATOM 0 HG22 THR A 51 22.572 -4.816 -5.755 1.00 0.13 H new ATOM 0 HG23 THR A 51 22.907 -5.835 -7.175 1.00 0.13 H new ATOM 776 N LYS A 52 22.228 -1.287 -9.411 1.00 0.25 N ATOM 777 CA LYS A 52 22.471 0.070 -9.886 1.00 72.01 C ATOM 778 C LYS A 52 21.785 0.307 -11.228 1.00 1.11 C ATOM 779 O LYS A 52 21.809 -0.539 -12.122 1.00 50.54 O ATOM 780 CB LYS A 52 23.974 0.325 -10.018 1.00 0.05 C ATOM 781 CG LYS A 52 24.505 1.354 -9.035 1.00 15.44 C ATOM 782 CD LYS A 52 25.964 1.681 -9.303 1.00 10.22 C ATOM 783 CE LYS A 52 26.113 2.655 -10.462 1.00 23.32 C ATOM 784 NZ LYS A 52 27.518 2.725 -10.950 1.00 25.03 N ATOM 0 H LYS A 52 21.494 -1.785 -9.914 1.00 0.25 H new ATOM 0 HA LYS A 52 22.054 0.764 -9.156 1.00 72.01 H new ATOM 0 HB2 LYS A 52 24.508 -0.614 -9.872 1.00 0.05 H new ATOM 0 HB3 LYS A 52 24.190 0.659 -11.033 1.00 0.05 H new ATOM 0 HG2 LYS A 52 23.909 2.264 -9.102 1.00 15.44 H new ATOM 0 HG3 LYS A 52 24.397 0.977 -8.018 1.00 15.44 H new ATOM 0 HD2 LYS A 52 26.413 2.109 -8.407 1.00 10.22 H new ATOM 0 HD3 LYS A 52 26.509 0.763 -9.525 1.00 10.22 H new ATOM 0 HE2 LYS A 52 25.459 2.350 -11.279 1.00 23.32 H new ATOM 0 HE3 LYS A 52 25.788 3.647 -10.147 1.00 23.32 H new ATOM 0 HZ1 LYS A 52 27.578 3.399 -11.740 1.00 25.03 H new ATOM 0 HZ2 LYS A 52 28.139 3.041 -10.177 1.00 25.03 H new ATOM 0 HZ3 LYS A 52 27.820 1.784 -11.274 1.00 25.03 H new ATOM 798 N PRO A 53 21.160 1.485 -11.374 1.00 60.21 N ATOM 799 CA PRO A 53 20.458 1.861 -12.605 1.00 32.14 C ATOM 800 C PRO A 53 21.415 2.114 -13.764 1.00 62.12 C ATOM 801 O PRO A 53 22.625 1.921 -13.638 1.00 73.00 O ATOM 802 CB PRO A 53 19.732 3.152 -12.219 1.00 4.35 C ATOM 803 CG PRO A 53 20.538 3.719 -11.101 1.00 14.34 C ATOM 804 CD PRO A 53 21.091 2.540 -10.349 1.00 42.25 C ATOM 0 HA PRO A 53 19.794 1.070 -12.953 1.00 32.14 H new ATOM 0 HB2 PRO A 53 19.680 3.844 -13.060 1.00 4.35 H new ATOM 0 HB3 PRO A 53 18.707 2.952 -11.907 1.00 4.35 H new ATOM 0 HG2 PRO A 53 21.341 4.351 -11.480 1.00 14.34 H new ATOM 0 HG3 PRO A 53 19.922 4.341 -10.452 1.00 14.34 H new ATOM 0 HD2 PRO A 53 22.073 2.756 -9.928 1.00 42.25 H new ATOM 0 HD3 PRO A 53 20.445 2.253 -9.520 1.00 42.25 H new ATOM 812 N LYS A 54 20.867 2.548 -14.894 1.00 70.52 N ATOM 813 CA LYS A 54 21.672 2.829 -16.077 1.00 11.21 C ATOM 814 C LYS A 54 21.189 4.097 -16.774 1.00 43.21 C ATOM 815 O LYS A 54 21.988 4.863 -17.312 1.00 11.24 O ATOM 816 CB LYS A 54 21.618 1.648 -17.049 1.00 3.24 C ATOM 817 CG LYS A 54 20.225 1.361 -17.581 1.00 10.21 C ATOM 818 CD LYS A 54 20.269 0.456 -18.801 1.00 4.24 C ATOM 819 CE LYS A 54 20.348 -1.010 -18.404 1.00 72.12 C ATOM 820 NZ LYS A 54 21.755 -1.494 -18.346 1.00 32.44 N ATOM 0 H LYS A 54 19.868 2.713 -15.016 1.00 70.52 H new ATOM 0 HA LYS A 54 22.703 2.981 -15.757 1.00 11.21 H new ATOM 0 HB2 LYS A 54 22.284 1.848 -17.888 1.00 3.24 H new ATOM 0 HB3 LYS A 54 21.997 0.758 -16.547 1.00 3.24 H new ATOM 0 HG2 LYS A 54 19.626 0.892 -16.800 1.00 10.21 H new ATOM 0 HG3 LYS A 54 19.733 2.299 -17.840 1.00 10.21 H new ATOM 0 HD2 LYS A 54 19.381 0.622 -19.411 1.00 4.24 H new ATOM 0 HD3 LYS A 54 21.131 0.714 -19.416 1.00 4.24 H new ATOM 0 HE2 LYS A 54 19.876 -1.149 -17.431 1.00 72.12 H new ATOM 0 HE3 LYS A 54 19.787 -1.611 -19.120 1.00 72.12 H new ATOM 0 HZ1 LYS A 54 21.841 -2.225 -17.611 1.00 32.44 H new ATOM 0 HZ2 LYS A 54 22.022 -1.896 -19.267 1.00 32.44 H new ATOM 0 HZ3 LYS A 54 22.386 -0.699 -18.119 1.00 32.44 H new ATOM 834 N ASN A 55 19.878 4.312 -16.760 1.00 11.54 N ATOM 835 CA ASN A 55 19.289 5.489 -17.390 1.00 65.40 C ATOM 836 C ASN A 55 18.206 6.096 -16.504 1.00 75.43 C ATOM 837 O ASN A 55 17.084 6.331 -16.951 1.00 51.43 O ATOM 838 CB ASN A 55 18.703 5.122 -18.755 1.00 34.24 C ATOM 839 CG ASN A 55 18.956 6.192 -19.799 1.00 74.52 C ATOM 840 OD1 ASN A 55 19.967 6.163 -20.500 1.00 41.24 O ATOM 841 ND2 ASN A 55 18.035 7.142 -19.907 1.00 52.32 N ATOM 0 H ASN A 55 19.203 3.687 -16.320 1.00 11.54 H new ATOM 0 HA ASN A 55 20.077 6.230 -17.528 1.00 65.40 H new ATOM 0 HB2 ASN A 55 19.136 4.180 -19.092 1.00 34.24 H new ATOM 0 HB3 ASN A 55 17.629 4.962 -18.655 1.00 34.24 H new ATOM 0 HD21 ASN A 55 18.150 7.888 -20.593 1.00 52.32 H new ATOM 0 HD22 ASN A 55 17.212 7.126 -19.304 1.00 52.32 H new ATOM 848 N GLY A 56 18.550 6.347 -15.245 1.00 32.32 N ATOM 849 CA GLY A 56 17.596 6.924 -14.316 1.00 52.42 C ATOM 850 C GLY A 56 16.718 5.877 -13.661 1.00 15.12 C ATOM 851 O GLY A 56 16.264 6.057 -12.531 1.00 31.25 O ATOM 0 H GLY A 56 19.472 6.161 -14.851 1.00 32.32 H new ATOM 0 HA2 GLY A 56 18.133 7.477 -13.545 1.00 52.42 H new ATOM 0 HA3 GLY A 56 16.968 7.642 -14.844 1.00 52.42 H new ATOM 855 N ARG A 57 16.476 4.781 -14.372 1.00 74.20 N ATOM 856 CA ARG A 57 15.643 3.702 -13.854 1.00 2.04 C ATOM 857 C ARG A 57 16.364 2.361 -13.959 1.00 35.15 C ATOM 858 O ARG A 57 17.426 2.262 -14.572 1.00 51.54 O ATOM 859 CB ARG A 57 14.317 3.642 -14.614 1.00 62.32 C ATOM 860 CG ARG A 57 14.080 4.839 -15.520 1.00 71.33 C ATOM 861 CD ARG A 57 13.642 6.060 -14.727 1.00 33.20 C ATOM 862 NE ARG A 57 12.881 7.000 -15.545 1.00 52.14 N ATOM 863 CZ ARG A 57 12.360 8.129 -15.076 1.00 65.34 C ATOM 864 NH1 ARG A 57 12.519 8.456 -13.801 1.00 74.23 N ATOM 865 NH2 ARG A 57 11.681 8.933 -15.884 1.00 13.14 N ATOM 0 H ARG A 57 16.845 4.616 -15.309 1.00 74.20 H new ATOM 0 HA ARG A 57 15.441 3.905 -12.802 1.00 2.04 H new ATOM 0 HB2 ARG A 57 14.293 2.732 -15.214 1.00 62.32 H new ATOM 0 HB3 ARG A 57 13.499 3.573 -13.896 1.00 62.32 H new ATOM 0 HG2 ARG A 57 14.994 5.068 -16.068 1.00 71.33 H new ATOM 0 HG3 ARG A 57 13.318 4.592 -16.260 1.00 71.33 H new ATOM 0 HD2 ARG A 57 13.035 5.743 -13.879 1.00 33.20 H new ATOM 0 HD3 ARG A 57 14.520 6.562 -14.320 1.00 33.20 H new ATOM 0 HE ARG A 57 12.742 6.778 -16.531 1.00 52.14 H new ATOM 0 HH11 ARG A 57 13.042 7.841 -13.178 1.00 74.23 H new ATOM 0 HH12 ARG A 57 12.118 9.323 -13.443 1.00 74.23 H new ATOM 0 HH21 ARG A 57 11.559 8.685 -16.866 1.00 13.14 H new ATOM 0 HH22 ARG A 57 11.281 9.799 -15.523 1.00 13.14 H new ATOM 879 N TRP A 58 15.779 1.333 -13.355 1.00 75.43 N ATOM 880 CA TRP A 58 16.365 -0.003 -13.381 1.00 1.45 C ATOM 881 C TRP A 58 15.863 -0.795 -14.582 1.00 73.22 C ATOM 882 O TRP A 58 14.851 -1.492 -14.498 1.00 54.35 O ATOM 883 CB TRP A 58 16.037 -0.751 -12.087 1.00 40.43 C ATOM 884 CG TRP A 58 16.161 0.102 -10.861 1.00 33.55 C ATOM 885 CD1 TRP A 58 15.280 1.053 -10.431 1.00 71.13 C ATOM 886 CD2 TRP A 58 17.228 0.081 -9.907 1.00 21.54 C ATOM 887 NE1 TRP A 58 15.736 1.625 -9.268 1.00 35.42 N ATOM 888 CE2 TRP A 58 16.928 1.045 -8.925 1.00 22.04 C ATOM 889 CE3 TRP A 58 18.407 -0.660 -9.785 1.00 73.30 C ATOM 890 CZ2 TRP A 58 17.765 1.286 -7.839 1.00 4.34 C ATOM 891 CZ3 TRP A 58 19.237 -0.419 -8.707 1.00 33.32 C ATOM 892 CH2 TRP A 58 18.913 0.547 -7.745 1.00 32.43 C ATOM 0 H TRP A 58 14.900 1.398 -12.842 1.00 75.43 H new ATOM 0 HA TRP A 58 17.446 0.103 -13.467 1.00 1.45 H new ATOM 0 HB2 TRP A 58 15.021 -1.141 -12.149 1.00 40.43 H new ATOM 0 HB3 TRP A 58 16.703 -1.609 -11.993 1.00 40.43 H new ATOM 0 HD1 TRP A 58 14.360 1.317 -10.932 1.00 71.13 H new ATOM 0 HE1 TRP A 58 15.263 2.362 -8.745 1.00 35.42 H new ATOM 0 HE3 TRP A 58 18.665 -1.408 -10.520 1.00 73.30 H new ATOM 0 HZ2 TRP A 58 17.517 2.030 -7.097 1.00 4.34 H new ATOM 0 HZ3 TRP A 58 20.151 -0.985 -8.604 1.00 33.32 H new ATOM 0 HH2 TRP A 58 19.582 0.711 -6.913 1.00 32.43 H new ATOM 903 N ILE A 59 16.575 -0.685 -15.698 1.00 45.01 N ATOM 904 CA ILE A 59 16.201 -1.393 -16.916 1.00 24.20 C ATOM 905 C ILE A 59 16.905 -2.743 -17.005 1.00 43.02 C ATOM 906 O ILE A 59 18.092 -2.858 -16.698 1.00 11.01 O ATOM 907 CB ILE A 59 16.536 -0.568 -18.172 1.00 64.05 C ATOM 908 CG1 ILE A 59 15.952 0.841 -18.055 1.00 2.24 C ATOM 909 CG2 ILE A 59 16.009 -1.263 -19.419 1.00 22.32 C ATOM 910 CD1 ILE A 59 16.629 1.853 -18.952 1.00 45.11 C ATOM 0 H ILE A 59 17.415 -0.112 -15.784 1.00 45.01 H new ATOM 0 HA ILE A 59 15.123 -1.550 -16.872 1.00 24.20 H new ATOM 0 HB ILE A 59 17.620 -0.486 -18.255 1.00 64.05 H new ATOM 0 HG12 ILE A 59 14.890 0.806 -18.297 1.00 2.24 H new ATOM 0 HG13 ILE A 59 16.032 1.174 -17.020 1.00 2.24 H new ATOM 0 HG21 ILE A 59 16.254 -0.667 -20.298 1.00 22.32 H new ATOM 0 HG22 ILE A 59 16.468 -2.248 -19.508 1.00 22.32 H new ATOM 0 HG23 ILE A 59 14.927 -1.373 -19.345 1.00 22.32 H new ATOM 0 HD11 ILE A 59 16.163 2.829 -18.816 1.00 45.11 H new ATOM 0 HD12 ILE A 59 17.686 1.917 -18.695 1.00 45.11 H new ATOM 0 HD13 ILE A 59 16.526 1.544 -19.992 1.00 45.11 H new ATOM 922 N PHE A 60 16.166 -3.763 -17.430 1.00 2.52 N ATOM 923 CA PHE A 60 16.719 -5.105 -17.561 1.00 24.41 C ATOM 924 C PHE A 60 16.353 -5.715 -18.911 1.00 22.11 C ATOM 925 O PHE A 60 15.278 -5.454 -19.451 1.00 0.03 O ATOM 926 CB PHE A 60 16.212 -6.002 -16.429 1.00 41.33 C ATOM 927 CG PHE A 60 16.548 -7.453 -16.618 1.00 73.42 C ATOM 928 CD1 PHE A 60 17.850 -7.849 -16.876 1.00 62.21 C ATOM 929 CD2 PHE A 60 15.560 -8.422 -16.538 1.00 64.43 C ATOM 930 CE1 PHE A 60 18.163 -9.184 -17.050 1.00 74.41 C ATOM 931 CE2 PHE A 60 15.867 -9.759 -16.711 1.00 11.01 C ATOM 932 CZ PHE A 60 17.169 -10.140 -16.968 1.00 62.33 C ATOM 0 H PHE A 60 15.183 -3.685 -17.689 1.00 2.52 H new ATOM 0 HA PHE A 60 17.805 -5.031 -17.498 1.00 24.41 H new ATOM 0 HB2 PHE A 60 16.637 -5.659 -15.486 1.00 41.33 H new ATOM 0 HB3 PHE A 60 15.130 -5.895 -16.348 1.00 41.33 H new ATOM 0 HD1 PHE A 60 18.630 -7.105 -16.942 1.00 62.21 H new ATOM 0 HD2 PHE A 60 14.540 -8.130 -16.338 1.00 64.43 H new ATOM 0 HE1 PHE A 60 19.183 -9.479 -17.250 1.00 74.41 H new ATOM 0 HE2 PHE A 60 15.089 -10.505 -16.645 1.00 11.01 H new ATOM 0 HZ PHE A 60 17.410 -11.184 -17.105 1.00 62.33 H new ATOM 942 N ARG A 61 17.255 -6.528 -19.451 1.00 25.15 N ATOM 943 CA ARG A 61 17.029 -7.174 -20.738 1.00 1.21 C ATOM 944 C ARG A 61 17.506 -8.623 -20.711 1.00 32.05 C ATOM 945 O ARG A 61 18.646 -8.905 -20.341 1.00 33.21 O ATOM 946 CB ARG A 61 17.750 -6.409 -21.850 1.00 22.43 C ATOM 947 CG ARG A 61 17.338 -4.950 -21.951 1.00 43.14 C ATOM 948 CD ARG A 61 18.291 -4.047 -21.183 1.00 32.42 C ATOM 949 NE ARG A 61 19.166 -3.290 -22.074 1.00 15.34 N ATOM 950 CZ ARG A 61 18.774 -2.215 -22.749 1.00 72.22 C ATOM 951 NH1 ARG A 61 17.529 -1.774 -22.636 1.00 34.14 N ATOM 952 NH2 ARG A 61 19.629 -1.579 -23.540 1.00 75.22 N ATOM 0 H ARG A 61 18.150 -6.755 -19.017 1.00 25.15 H new ATOM 0 HA ARG A 61 15.957 -7.166 -20.937 1.00 1.21 H new ATOM 0 HB2 ARG A 61 18.825 -6.463 -21.679 1.00 22.43 H new ATOM 0 HB3 ARG A 61 17.554 -6.900 -22.803 1.00 22.43 H new ATOM 0 HG2 ARG A 61 17.315 -4.649 -22.998 1.00 43.14 H new ATOM 0 HG3 ARG A 61 16.327 -4.829 -21.562 1.00 43.14 H new ATOM 0 HD2 ARG A 61 17.717 -3.356 -20.566 1.00 32.42 H new ATOM 0 HD3 ARG A 61 18.897 -4.651 -20.507 1.00 32.42 H new ATOM 0 HE ARG A 61 20.130 -3.604 -22.184 1.00 15.34 H new ATOM 0 HH11 ARG A 61 16.869 -2.260 -22.029 1.00 34.14 H new ATOM 0 HH12 ARG A 61 17.231 -0.948 -23.156 1.00 34.14 H new ATOM 0 HH21 ARG A 61 20.588 -1.916 -23.630 1.00 75.22 H new ATOM 0 HH22 ARG A 61 19.327 -0.754 -24.058 1.00 75.22 H new ATOM 966 N ASP A 62 16.626 -9.537 -21.103 1.00 73.25 N ATOM 967 CA ASP A 62 16.956 -10.957 -21.125 1.00 23.43 C ATOM 968 C ASP A 62 17.314 -11.411 -22.536 1.00 62.05 C ATOM 969 O ASP A 62 17.329 -10.610 -23.471 1.00 45.02 O ATOM 970 CB ASP A 62 15.785 -11.784 -20.592 1.00 13.42 C ATOM 971 CG ASP A 62 16.201 -12.730 -19.483 1.00 14.13 C ATOM 972 OD1 ASP A 62 17.320 -13.277 -19.559 1.00 62.21 O ATOM 973 OD2 ASP A 62 15.406 -12.924 -18.539 1.00 10.23 O ATOM 0 H ASP A 62 15.678 -9.320 -21.410 1.00 73.25 H new ATOM 0 HA ASP A 62 17.822 -11.112 -20.482 1.00 23.43 H new ATOM 0 HB2 ASP A 62 15.009 -11.114 -20.222 1.00 13.42 H new ATOM 0 HB3 ASP A 62 15.347 -12.357 -21.409 1.00 13.42 H new ATOM 978 N ARG A 63 17.603 -12.700 -22.683 1.00 74.01 N ATOM 979 CA ARG A 63 17.963 -13.260 -23.980 1.00 52.43 C ATOM 980 C ARG A 63 17.438 -14.686 -24.122 1.00 4.42 C ATOM 981 O ARG A 63 17.997 -15.492 -24.865 1.00 15.41 O ATOM 982 CB ARG A 63 19.482 -13.243 -24.163 1.00 14.12 C ATOM 983 CG ARG A 63 19.936 -12.522 -25.421 1.00 51.42 C ATOM 984 CD ARG A 63 20.352 -13.503 -26.506 1.00 54.53 C ATOM 985 NE ARG A 63 21.799 -13.525 -26.699 1.00 1.24 N ATOM 986 CZ ARG A 63 22.409 -14.291 -27.596 1.00 45.31 C ATOM 987 NH1 ARG A 63 21.701 -15.092 -28.380 1.00 25.44 N ATOM 988 NH2 ARG A 63 23.731 -14.255 -27.711 1.00 71.25 N ATOM 0 H ARG A 63 17.595 -13.376 -21.919 1.00 74.01 H new ATOM 0 HA ARG A 63 17.504 -12.644 -24.753 1.00 52.43 H new ATOM 0 HB2 ARG A 63 19.939 -12.765 -23.296 1.00 14.12 H new ATOM 0 HB3 ARG A 63 19.848 -14.269 -24.191 1.00 14.12 H new ATOM 0 HG2 ARG A 63 19.129 -11.890 -25.791 1.00 51.42 H new ATOM 0 HG3 ARG A 63 20.772 -11.865 -25.183 1.00 51.42 H new ATOM 0 HD2 ARG A 63 20.006 -14.503 -26.243 1.00 54.53 H new ATOM 0 HD3 ARG A 63 19.865 -13.234 -27.444 1.00 54.53 H new ATOM 0 HE ARG A 63 22.373 -12.919 -26.113 1.00 1.24 H new ATOM 0 HH11 ARG A 63 20.685 -15.121 -28.295 1.00 25.44 H new ATOM 0 HH12 ARG A 63 22.172 -15.679 -29.068 1.00 25.44 H new ATOM 0 HH21 ARG A 63 24.279 -13.639 -27.110 1.00 71.25 H new ATOM 0 HH22 ARG A 63 24.199 -14.844 -28.400 1.00 71.25 H new ATOM 1002 N ASN A 64 16.362 -14.989 -23.403 1.00 5.01 N ATOM 1003 CA ASN A 64 15.763 -16.318 -23.448 1.00 3.15 C ATOM 1004 C ASN A 64 14.258 -16.244 -23.210 1.00 21.23 C ATOM 1005 O ASN A 64 13.652 -17.189 -22.706 1.00 21.40 O ATOM 1006 CB ASN A 64 16.412 -17.228 -22.403 1.00 1.14 C ATOM 1007 CG ASN A 64 16.003 -16.867 -20.988 1.00 5.54 C ATOM 1008 OD1 ASN A 64 15.168 -17.536 -20.381 1.00 34.43 O ATOM 1009 ND2 ASN A 64 16.593 -15.802 -20.455 1.00 72.23 N ATOM 0 H ASN A 64 15.887 -14.333 -22.783 1.00 5.01 H new ATOM 0 HA ASN A 64 15.936 -16.734 -24.440 1.00 3.15 H new ATOM 0 HB2 ASN A 64 16.136 -18.263 -22.605 1.00 1.14 H new ATOM 0 HB3 ASN A 64 17.496 -17.164 -22.492 1.00 1.14 H new ATOM 0 HD21 ASN A 64 16.359 -15.511 -19.506 1.00 72.23 H new ATOM 0 HD22 ASN A 64 17.280 -15.276 -20.995 1.00 72.23 H new ATOM 1016 N ALA A 65 13.661 -15.115 -23.576 1.00 43.25 N ATOM 1017 CA ALA A 65 12.227 -14.918 -23.406 1.00 21.42 C ATOM 1018 C ALA A 65 11.522 -14.820 -24.754 1.00 42.44 C ATOM 1019 O ALA A 65 11.293 -13.724 -25.267 1.00 21.52 O ATOM 1020 CB ALA A 65 11.960 -13.671 -22.576 1.00 22.41 C ATOM 0 H ALA A 65 14.149 -14.322 -23.993 1.00 43.25 H new ATOM 0 HA ALA A 65 11.827 -15.784 -22.879 1.00 21.42 H new ATOM 0 HB1 ALA A 65 10.885 -13.536 -22.457 1.00 22.41 H new ATOM 0 HB2 ALA A 65 12.423 -13.781 -21.595 1.00 22.41 H new ATOM 0 HB3 ALA A 65 12.381 -12.801 -23.080 1.00 22.41 H new ATOM 1026 N ALA A 66 11.181 -15.971 -25.324 1.00 42.34 N ATOM 1027 CA ALA A 66 10.501 -16.013 -26.613 1.00 63.10 C ATOM 1028 C ALA A 66 9.002 -15.789 -26.450 1.00 52.21 C ATOM 1029 O ALA A 66 8.246 -16.730 -26.204 1.00 51.23 O ATOM 1030 CB ALA A 66 10.766 -17.342 -27.306 1.00 11.41 C ATOM 0 H ALA A 66 11.364 -16.887 -24.914 1.00 42.34 H new ATOM 0 HA ALA A 66 10.897 -15.208 -27.232 1.00 63.10 H new ATOM 0 HB1 ALA A 66 10.252 -17.360 -28.267 1.00 11.41 H new ATOM 0 HB2 ALA A 66 11.838 -17.462 -27.465 1.00 11.41 H new ATOM 0 HB3 ALA A 66 10.398 -18.157 -26.683 1.00 11.41 H new ATOM 1036 N LEU A 67 8.577 -14.538 -26.588 1.00 3.43 N ATOM 1037 CA LEU A 67 7.167 -14.189 -26.455 1.00 71.21 C ATOM 1038 C LEU A 67 6.810 -13.010 -27.354 1.00 45.40 C ATOM 1039 O LEU A 67 7.689 -12.355 -27.915 1.00 42.41 O ATOM 1040 CB LEU A 67 6.839 -13.853 -24.999 1.00 70.13 C ATOM 1041 CG LEU A 67 7.085 -12.405 -24.573 1.00 32.40 C ATOM 1042 CD1 LEU A 67 8.446 -11.930 -25.057 1.00 73.03 C ATOM 1043 CD2 LEU A 67 5.982 -11.499 -25.101 1.00 62.33 C ATOM 0 H LEU A 67 9.189 -13.748 -26.792 1.00 3.43 H new ATOM 0 HA LEU A 67 6.575 -15.050 -26.765 1.00 71.21 H new ATOM 0 HB2 LEU A 67 5.790 -14.090 -24.820 1.00 70.13 H new ATOM 0 HB3 LEU A 67 7.428 -14.505 -24.355 1.00 70.13 H new ATOM 0 HG LEU A 67 7.074 -12.360 -23.484 1.00 32.40 H new ATOM 0 HD11 LEU A 67 8.603 -10.898 -24.745 1.00 73.03 H new ATOM 0 HD12 LEU A 67 9.225 -12.561 -24.629 1.00 73.03 H new ATOM 0 HD13 LEU A 67 8.487 -11.990 -26.145 1.00 73.03 H new ATOM 0 HD21 LEU A 67 6.173 -10.473 -24.788 1.00 62.33 H new ATOM 0 HD22 LEU A 67 5.960 -11.549 -26.190 1.00 62.33 H new ATOM 0 HD23 LEU A 67 5.021 -11.826 -24.704 1.00 62.33 H new ATOM 1055 N LYS A 68 5.516 -12.742 -27.485 1.00 75.31 N ATOM 1056 CA LYS A 68 5.041 -11.639 -28.312 1.00 63.45 C ATOM 1057 C LYS A 68 3.662 -11.173 -27.859 1.00 13.02 C ATOM 1058 O LYS A 68 2.974 -11.872 -27.113 1.00 44.42 O ATOM 1059 CB LYS A 68 4.990 -12.063 -29.782 1.00 45.43 C ATOM 1060 CG LYS A 68 4.396 -13.444 -29.997 1.00 41.34 C ATOM 1061 CD LYS A 68 5.457 -14.528 -29.906 1.00 50.34 C ATOM 1062 CE LYS A 68 5.267 -15.586 -30.983 1.00 13.44 C ATOM 1063 NZ LYS A 68 6.254 -16.692 -30.853 1.00 65.42 N ATOM 0 H LYS A 68 4.776 -13.275 -27.028 1.00 75.31 H new ATOM 0 HA LYS A 68 5.739 -10.809 -28.203 1.00 63.45 H new ATOM 0 HB2 LYS A 68 4.404 -11.334 -30.342 1.00 45.43 H new ATOM 0 HB3 LYS A 68 6.000 -12.043 -30.192 1.00 45.43 H new ATOM 0 HG2 LYS A 68 3.622 -13.628 -29.252 1.00 41.34 H new ATOM 0 HG3 LYS A 68 3.915 -13.486 -30.974 1.00 41.34 H new ATOM 0 HD2 LYS A 68 6.446 -14.080 -30.005 1.00 50.34 H new ATOM 0 HD3 LYS A 68 5.416 -14.997 -28.923 1.00 50.34 H new ATOM 0 HE2 LYS A 68 4.257 -15.991 -30.920 1.00 13.44 H new ATOM 0 HE3 LYS A 68 5.365 -15.125 -31.966 1.00 13.44 H new ATOM 0 HZ1 LYS A 68 6.092 -17.392 -31.605 1.00 65.42 H new ATOM 0 HZ2 LYS A 68 7.217 -16.309 -30.938 1.00 65.42 H new ATOM 0 HZ3 LYS A 68 6.144 -17.148 -29.925 1.00 65.42 H new ATOM 1077 N ILE A 69 3.263 -9.990 -28.314 1.00 73.22 N ATOM 1078 CA ILE A 69 1.964 -9.433 -27.957 1.00 22.03 C ATOM 1079 C ILE A 69 0.913 -10.530 -27.823 1.00 4.14 C ATOM 1080 O ILE A 69 0.622 -11.245 -28.780 1.00 74.02 O ATOM 1081 CB ILE A 69 1.487 -8.405 -28.999 1.00 55.20 C ATOM 1082 CG1 ILE A 69 2.465 -7.231 -29.075 1.00 13.43 C ATOM 1083 CG2 ILE A 69 0.088 -7.915 -28.657 1.00 15.51 C ATOM 1084 CD1 ILE A 69 2.282 -6.220 -27.964 1.00 42.34 C ATOM 0 H ILE A 69 3.821 -9.399 -28.931 1.00 73.22 H new ATOM 0 HA ILE A 69 2.088 -8.933 -26.996 1.00 22.03 H new ATOM 0 HB ILE A 69 1.453 -8.888 -29.975 1.00 55.20 H new ATOM 0 HG12 ILE A 69 3.485 -7.615 -29.042 1.00 13.43 H new ATOM 0 HG13 ILE A 69 2.344 -6.730 -30.035 1.00 13.43 H new ATOM 0 HG21 ILE A 69 -0.236 -7.189 -29.403 1.00 15.51 H new ATOM 0 HG22 ILE A 69 -0.601 -8.759 -28.650 1.00 15.51 H new ATOM 0 HG23 ILE A 69 0.097 -7.445 -27.673 1.00 15.51 H new ATOM 0 HD11 ILE A 69 3.008 -5.416 -28.081 1.00 42.34 H new ATOM 0 HD12 ILE A 69 1.274 -5.808 -28.009 1.00 42.34 H new ATOM 0 HD13 ILE A 69 2.432 -6.707 -27.000 1.00 42.34 H new ATOM 1096 N GLY A 70 0.346 -10.656 -26.627 1.00 0.44 N ATOM 1097 CA GLY A 70 -0.668 -11.666 -26.389 1.00 61.41 C ATOM 1098 C GLY A 70 -0.302 -12.598 -25.251 1.00 13.14 C ATOM 1099 O GLY A 70 -1.179 -13.134 -24.572 1.00 41.12 O ATOM 0 H GLY A 70 0.571 -10.076 -25.819 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -1.617 -11.178 -26.164 1.00 61.41 H new ATOM 0 HA3 GLY A 70 -0.817 -12.249 -27.298 1.00 61.41 H new ATOM 1103 N ASP A 71 0.995 -12.793 -25.041 1.00 51.12 N ATOM 1104 CA ASP A 71 1.475 -13.667 -23.977 1.00 73.01 C ATOM 1105 C ASP A 71 1.168 -13.073 -22.606 1.00 3.31 C ATOM 1106 O ASP A 71 0.558 -12.009 -22.501 1.00 11.44 O ATOM 1107 CB ASP A 71 2.979 -13.902 -24.120 1.00 43.32 C ATOM 1108 CG ASP A 71 3.313 -15.348 -24.427 1.00 30.41 C ATOM 1109 OD1 ASP A 71 2.401 -16.091 -24.845 1.00 32.51 O ATOM 1110 OD2 ASP A 71 4.486 -15.738 -24.248 1.00 2.11 O ATOM 0 H ASP A 71 1.733 -12.357 -25.594 1.00 51.12 H new ATOM 0 HA ASP A 71 0.957 -14.622 -24.063 1.00 73.01 H new ATOM 0 HB2 ASP A 71 3.369 -13.266 -24.914 1.00 43.32 H new ATOM 0 HB3 ASP A 71 3.479 -13.604 -23.198 1.00 43.32 H new ATOM 1115 N LYS A 72 1.595 -13.768 -21.557 1.00 11.52 N ATOM 1116 CA LYS A 72 1.367 -13.310 -20.191 1.00 40.23 C ATOM 1117 C LYS A 72 2.582 -13.592 -19.313 1.00 73.20 C ATOM 1118 O LYS A 72 3.484 -14.333 -19.705 1.00 41.53 O ATOM 1119 CB LYS A 72 0.129 -13.991 -19.603 1.00 25.10 C ATOM 1120 CG LYS A 72 -1.158 -13.219 -19.835 1.00 21.20 C ATOM 1121 CD LYS A 72 -2.239 -14.105 -20.432 1.00 11.43 C ATOM 1122 CE LYS A 72 -3.130 -13.328 -21.389 1.00 14.35 C ATOM 1123 NZ LYS A 72 -4.251 -14.162 -21.904 1.00 20.21 N ATOM 0 H LYS A 72 2.101 -14.651 -21.627 1.00 11.52 H new ATOM 0 HA LYS A 72 1.203 -12.233 -20.218 1.00 40.23 H new ATOM 0 HB2 LYS A 72 0.030 -14.985 -20.039 1.00 25.10 H new ATOM 0 HB3 LYS A 72 0.274 -14.126 -18.531 1.00 25.10 H new ATOM 0 HG2 LYS A 72 -1.508 -12.802 -18.891 1.00 21.20 H new ATOM 0 HG3 LYS A 72 -0.965 -12.379 -20.502 1.00 21.20 H new ATOM 0 HD2 LYS A 72 -1.777 -14.939 -20.960 1.00 11.43 H new ATOM 0 HD3 LYS A 72 -2.846 -14.530 -19.632 1.00 11.43 H new ATOM 0 HE2 LYS A 72 -3.533 -12.452 -20.880 1.00 14.35 H new ATOM 0 HE3 LYS A 72 -2.534 -12.964 -22.226 1.00 14.35 H new ATOM 0 HZ1 LYS A 72 -4.835 -13.596 -22.553 1.00 20.21 H new ATOM 0 HZ2 LYS A 72 -3.867 -14.984 -22.412 1.00 20.21 H new ATOM 0 HZ3 LYS A 72 -4.835 -14.488 -21.108 1.00 20.21 H new ATOM 1137 N ILE A 73 2.597 -12.999 -18.124 1.00 20.40 N ATOM 1138 CA ILE A 73 3.700 -13.190 -17.190 1.00 53.00 C ATOM 1139 C ILE A 73 3.203 -13.203 -15.748 1.00 41.43 C ATOM 1140 O ILE A 73 2.215 -12.548 -15.415 1.00 41.33 O ATOM 1141 CB ILE A 73 4.765 -12.089 -17.345 1.00 1.45 C ATOM 1142 CG1 ILE A 73 5.269 -12.035 -18.788 1.00 54.34 C ATOM 1143 CG2 ILE A 73 5.920 -12.330 -16.384 1.00 32.22 C ATOM 1144 CD1 ILE A 73 6.125 -10.824 -19.085 1.00 1.42 C ATOM 0 H ILE A 73 1.858 -12.383 -17.785 1.00 20.40 H new ATOM 0 HA ILE A 73 4.150 -14.155 -17.425 1.00 53.00 H new ATOM 0 HB ILE A 73 4.310 -11.128 -17.103 1.00 1.45 H new ATOM 0 HG12 ILE A 73 5.845 -12.937 -18.997 1.00 54.34 H new ATOM 0 HG13 ILE A 73 4.413 -12.039 -19.463 1.00 54.34 H new ATOM 0 HG21 ILE A 73 6.665 -11.543 -16.506 1.00 32.22 H new ATOM 0 HG22 ILE A 73 5.548 -12.323 -15.359 1.00 32.22 H new ATOM 0 HG23 ILE A 73 6.375 -13.297 -16.598 1.00 32.22 H new ATOM 0 HD11 ILE A 73 6.447 -10.852 -20.126 1.00 1.42 H new ATOM 0 HD12 ILE A 73 5.546 -9.917 -18.908 1.00 1.42 H new ATOM 0 HD13 ILE A 73 7.000 -10.829 -18.435 1.00 1.42 H new ATOM 1156 N TYR A 74 3.896 -13.950 -14.897 1.00 33.54 N ATOM 1157 CA TYR A 74 3.525 -14.049 -13.490 1.00 21.11 C ATOM 1158 C TYR A 74 4.747 -14.340 -12.624 1.00 11.34 C ATOM 1159 O TYR A 74 5.292 -15.444 -12.648 1.00 55.42 O ATOM 1160 CB TYR A 74 2.475 -15.143 -13.293 1.00 74.31 C ATOM 1161 CG TYR A 74 1.517 -15.280 -14.456 1.00 4.15 C ATOM 1162 CD1 TYR A 74 1.838 -16.066 -15.556 1.00 13.13 C ATOM 1163 CD2 TYR A 74 0.293 -14.622 -14.454 1.00 65.54 C ATOM 1164 CE1 TYR A 74 0.967 -16.193 -16.621 1.00 32.25 C ATOM 1165 CE2 TYR A 74 -0.584 -14.745 -15.514 1.00 33.20 C ATOM 1166 CZ TYR A 74 -0.243 -15.531 -16.595 1.00 31.43 C ATOM 1167 OH TYR A 74 -1.114 -15.655 -17.653 1.00 31.01 O ATOM 0 H TYR A 74 4.718 -14.496 -15.156 1.00 33.54 H new ATOM 0 HA TYR A 74 3.104 -13.091 -13.184 1.00 21.11 H new ATOM 0 HB2 TYR A 74 2.980 -16.096 -13.135 1.00 74.31 H new ATOM 0 HB3 TYR A 74 1.906 -14.930 -12.388 1.00 74.31 H new ATOM 0 HD1 TYR A 74 2.784 -16.586 -15.579 1.00 13.13 H new ATOM 0 HD2 TYR A 74 0.023 -14.005 -13.610 1.00 65.54 H new ATOM 0 HE1 TYR A 74 1.232 -16.807 -17.469 1.00 32.25 H new ATOM 0 HE2 TYR A 74 -1.532 -14.228 -15.497 1.00 33.20 H new ATOM 0 HH TYR A 74 -1.920 -15.126 -17.477 1.00 31.01 H new ATOM 1177 N PHE A 75 5.172 -13.341 -11.858 1.00 0.54 N ATOM 1178 CA PHE A 75 6.330 -13.487 -10.983 1.00 14.12 C ATOM 1179 C PHE A 75 6.395 -12.346 -9.972 1.00 1.21 C ATOM 1180 O PHE A 75 5.442 -11.581 -9.821 1.00 23.35 O ATOM 1181 CB PHE A 75 7.617 -13.527 -11.808 1.00 43.32 C ATOM 1182 CG PHE A 75 8.003 -12.193 -12.382 1.00 23.24 C ATOM 1183 CD1 PHE A 75 7.113 -11.477 -13.165 1.00 72.10 C ATOM 1184 CD2 PHE A 75 9.257 -11.656 -12.137 1.00 60.05 C ATOM 1185 CE1 PHE A 75 7.465 -10.249 -13.694 1.00 34.51 C ATOM 1186 CE2 PHE A 75 9.614 -10.429 -12.663 1.00 43.22 C ATOM 1187 CZ PHE A 75 8.718 -9.725 -13.443 1.00 75.34 C ATOM 0 H PHE A 75 4.732 -12.421 -11.825 1.00 0.54 H new ATOM 0 HA PHE A 75 6.227 -14.426 -10.438 1.00 14.12 H new ATOM 0 HB2 PHE A 75 8.430 -13.893 -11.181 1.00 43.32 H new ATOM 0 HB3 PHE A 75 7.496 -14.242 -12.622 1.00 43.32 H new ATOM 0 HD1 PHE A 75 6.132 -11.883 -13.365 1.00 72.10 H new ATOM 0 HD2 PHE A 75 9.963 -12.202 -11.529 1.00 60.05 H new ATOM 0 HE1 PHE A 75 6.761 -9.700 -14.302 1.00 34.51 H new ATOM 0 HE2 PHE A 75 10.594 -10.021 -12.464 1.00 43.22 H new ATOM 0 HZ PHE A 75 8.996 -8.767 -13.856 1.00 75.34 H new ATOM 1197 N TRP A 76 7.525 -12.239 -9.283 1.00 3.51 N ATOM 1198 CA TRP A 76 7.716 -11.191 -8.286 1.00 33.55 C ATOM 1199 C TRP A 76 9.090 -10.547 -8.429 1.00 11.33 C ATOM 1200 O TRP A 76 9.986 -11.104 -9.064 1.00 12.00 O ATOM 1201 CB TRP A 76 7.552 -11.765 -6.877 1.00 11.51 C ATOM 1202 CG TRP A 76 8.365 -13.001 -6.640 1.00 42.03 C ATOM 1203 CD1 TRP A 76 8.305 -14.169 -7.345 1.00 71.04 C ATOM 1204 CD2 TRP A 76 9.359 -13.192 -5.628 1.00 22.13 C ATOM 1205 NE1 TRP A 76 9.202 -15.075 -6.832 1.00 15.10 N ATOM 1206 CE2 TRP A 76 9.861 -14.500 -5.778 1.00 42.44 C ATOM 1207 CE3 TRP A 76 9.876 -12.386 -4.610 1.00 55.40 C ATOM 1208 CZ2 TRP A 76 10.852 -15.016 -4.948 1.00 63.31 C ATOM 1209 CZ3 TRP A 76 10.859 -12.900 -3.787 1.00 31.03 C ATOM 1210 CH2 TRP A 76 11.340 -14.205 -3.960 1.00 14.20 C ATOM 0 H TRP A 76 8.323 -12.864 -9.396 1.00 3.51 H new ATOM 0 HA TRP A 76 6.958 -10.425 -8.450 1.00 33.55 H new ATOM 0 HB2 TRP A 76 7.837 -11.006 -6.148 1.00 11.51 H new ATOM 0 HB3 TRP A 76 6.500 -11.993 -6.706 1.00 11.51 H new ATOM 0 HD1 TRP A 76 7.649 -14.354 -8.183 1.00 71.04 H new ATOM 0 HE1 TRP A 76 9.353 -16.022 -7.180 1.00 15.10 H new ATOM 0 HE3 TRP A 76 9.513 -11.379 -4.469 1.00 55.40 H new ATOM 0 HZ2 TRP A 76 11.223 -16.022 -5.079 1.00 63.31 H new ATOM 0 HZ3 TRP A 76 11.264 -12.286 -2.996 1.00 31.03 H new ATOM 0 HH2 TRP A 76 12.110 -14.577 -3.301 1.00 14.20 H new ATOM 1221 N THR A 77 9.251 -9.369 -7.834 1.00 42.52 N ATOM 1222 CA THR A 77 10.516 -8.648 -7.897 1.00 3.35 C ATOM 1223 C THR A 77 10.907 -8.103 -6.527 1.00 52.04 C ATOM 1224 O THR A 77 10.048 -7.726 -5.730 1.00 32.31 O ATOM 1225 CB THR A 77 10.449 -7.481 -8.900 1.00 64.45 C ATOM 1226 OG1 THR A 77 9.205 -6.787 -8.763 1.00 35.31 O ATOM 1227 CG2 THR A 77 10.599 -7.987 -10.328 1.00 2.54 C ATOM 0 H THR A 77 8.521 -8.894 -7.303 1.00 42.52 H new ATOM 0 HA THR A 77 11.270 -9.361 -8.231 1.00 3.35 H new ATOM 0 HB THR A 77 11.270 -6.798 -8.684 1.00 64.45 H new ATOM 0 HG1 THR A 77 9.172 -6.046 -9.403 1.00 35.31 H new ATOM 0 HG21 THR A 77 10.549 -7.146 -11.019 1.00 2.54 H new ATOM 0 HG22 THR A 77 11.560 -8.489 -10.437 1.00 2.54 H new ATOM 0 HG23 THR A 77 9.796 -8.689 -10.552 1.00 2.54 H new ATOM 1235 N PHE A 78 12.208 -8.063 -6.261 1.00 21.22 N ATOM 1236 CA PHE A 78 12.713 -7.564 -4.987 1.00 35.22 C ATOM 1237 C PHE A 78 13.369 -6.198 -5.160 1.00 1.45 C ATOM 1238 O PHE A 78 13.932 -5.895 -6.212 1.00 22.33 O ATOM 1239 CB PHE A 78 13.716 -8.553 -4.389 1.00 12.31 C ATOM 1240 CG PHE A 78 13.381 -8.972 -2.986 1.00 74.32 C ATOM 1241 CD1 PHE A 78 12.257 -9.741 -2.729 1.00 22.42 C ATOM 1242 CD2 PHE A 78 14.189 -8.597 -1.925 1.00 73.20 C ATOM 1243 CE1 PHE A 78 11.946 -10.130 -1.439 1.00 41.42 C ATOM 1244 CE2 PHE A 78 13.883 -8.983 -0.634 1.00 11.34 C ATOM 1245 CZ PHE A 78 12.760 -9.749 -0.390 1.00 54.21 C ATOM 0 H PHE A 78 12.932 -8.370 -6.910 1.00 21.22 H new ATOM 0 HA PHE A 78 11.869 -7.458 -4.306 1.00 35.22 H new ATOM 0 HB2 PHE A 78 13.763 -9.439 -5.023 1.00 12.31 H new ATOM 0 HB3 PHE A 78 14.708 -8.102 -4.398 1.00 12.31 H new ATOM 0 HD1 PHE A 78 11.617 -10.040 -3.546 1.00 22.42 H new ATOM 0 HD2 PHE A 78 15.068 -7.996 -2.109 1.00 73.20 H new ATOM 0 HE1 PHE A 78 11.068 -10.731 -1.252 1.00 41.42 H new ATOM 0 HE2 PHE A 78 14.522 -8.686 0.184 1.00 11.34 H new ATOM 0 HZ PHE A 78 12.519 -10.050 0.619 1.00 54.21 H new ATOM 1255 N VAL A 79 13.292 -5.375 -4.118 1.00 40.23 N ATOM 1256 CA VAL A 79 13.879 -4.041 -4.153 1.00 54.53 C ATOM 1257 C VAL A 79 14.346 -3.609 -2.768 1.00 32.13 C ATOM 1258 O VAL A 79 13.983 -4.220 -1.762 1.00 4.55 O ATOM 1259 CB VAL A 79 12.878 -3.001 -4.692 1.00 74.31 C ATOM 1260 CG1 VAL A 79 13.180 -2.672 -6.146 1.00 70.41 C ATOM 1261 CG2 VAL A 79 11.451 -3.506 -4.537 1.00 10.24 C ATOM 0 H VAL A 79 12.829 -5.609 -3.240 1.00 40.23 H new ATOM 0 HA VAL A 79 14.737 -4.091 -4.823 1.00 54.53 H new ATOM 0 HB VAL A 79 12.982 -2.086 -4.108 1.00 74.31 H new ATOM 0 HG11 VAL A 79 12.463 -1.936 -6.509 1.00 70.41 H new ATOM 0 HG12 VAL A 79 14.188 -2.266 -6.225 1.00 70.41 H new ATOM 0 HG13 VAL A 79 13.106 -3.578 -6.747 1.00 70.41 H new ATOM 0 HG21 VAL A 79 10.757 -2.759 -4.923 1.00 10.24 H new ATOM 0 HG22 VAL A 79 11.331 -4.435 -5.095 1.00 10.24 H new ATOM 0 HG23 VAL A 79 11.241 -3.686 -3.483 1.00 10.24 H new ATOM 1271 N ILE A 80 15.152 -2.554 -2.723 1.00 55.51 N ATOM 1272 CA ILE A 80 15.667 -2.039 -1.460 1.00 60.34 C ATOM 1273 C ILE A 80 15.869 -0.529 -1.523 1.00 65.24 C ATOM 1274 O ILE A 80 16.899 -0.049 -1.998 1.00 0.34 O ATOM 1275 CB ILE A 80 17.001 -2.710 -1.082 1.00 41.53 C ATOM 1276 CG1 ILE A 80 16.795 -4.207 -0.842 1.00 50.55 C ATOM 1277 CG2 ILE A 80 17.596 -2.047 0.151 1.00 12.23 C ATOM 1278 CD1 ILE A 80 18.040 -4.918 -0.360 1.00 74.33 C ATOM 0 H ILE A 80 15.463 -2.039 -3.547 1.00 55.51 H new ATOM 0 HA ILE A 80 14.924 -2.271 -0.697 1.00 60.34 H new ATOM 0 HB ILE A 80 17.700 -2.587 -1.910 1.00 41.53 H new ATOM 0 HG12 ILE A 80 16.001 -4.343 -0.108 1.00 50.55 H new ATOM 0 HG13 ILE A 80 16.456 -4.672 -1.768 1.00 50.55 H new ATOM 0 HG21 ILE A 80 18.538 -2.532 0.406 1.00 12.23 H new ATOM 0 HG22 ILE A 80 17.775 -0.992 -0.054 1.00 12.23 H new ATOM 0 HG23 ILE A 80 16.902 -2.142 0.986 1.00 12.23 H new ATOM 0 HD11 ILE A 80 17.821 -5.975 -0.211 1.00 74.33 H new ATOM 0 HD12 ILE A 80 18.830 -4.813 -1.104 1.00 74.33 H new ATOM 0 HD13 ILE A 80 18.368 -4.479 0.582 1.00 74.33 H new ATOM 1290 N LYS A 81 14.881 0.215 -1.040 1.00 53.32 N ATOM 1291 CA LYS A 81 14.950 1.672 -1.038 1.00 32.22 C ATOM 1292 C LYS A 81 15.027 2.210 0.387 1.00 12.42 C ATOM 1293 O LYS A 81 14.332 1.728 1.282 1.00 60.14 O ATOM 1294 CB LYS A 81 13.732 2.262 -1.752 1.00 71.23 C ATOM 1295 CG LYS A 81 13.605 3.767 -1.595 1.00 50.35 C ATOM 1296 CD LYS A 81 12.202 4.246 -1.929 1.00 0.33 C ATOM 1297 CE LYS A 81 11.844 5.506 -1.154 1.00 64.42 C ATOM 1298 NZ LYS A 81 10.851 6.342 -1.883 1.00 70.22 N ATOM 0 H LYS A 81 14.022 -0.167 -0.644 1.00 53.32 H new ATOM 0 HA LYS A 81 15.854 1.969 -1.570 1.00 32.22 H new ATOM 0 HB2 LYS A 81 13.791 2.020 -2.813 1.00 71.23 H new ATOM 0 HB3 LYS A 81 12.830 1.787 -1.366 1.00 71.23 H new ATOM 0 HG2 LYS A 81 13.853 4.049 -0.572 1.00 50.35 H new ATOM 0 HG3 LYS A 81 14.325 4.264 -2.246 1.00 50.35 H new ATOM 0 HD2 LYS A 81 12.128 4.442 -2.999 1.00 0.33 H new ATOM 0 HD3 LYS A 81 11.483 3.459 -1.699 1.00 0.33 H new ATOM 0 HE2 LYS A 81 11.441 5.231 -0.179 1.00 64.42 H new ATOM 0 HE3 LYS A 81 12.747 6.090 -0.973 1.00 64.42 H new ATOM 0 HZ1 LYS A 81 10.697 7.230 -1.364 1.00 70.22 H new ATOM 0 HZ2 LYS A 81 11.210 6.555 -2.836 1.00 70.22 H new ATOM 0 HZ3 LYS A 81 9.952 5.825 -1.959 1.00 70.22 H new ATOM 1312 N ASP A 82 15.874 3.213 0.591 1.00 41.13 N ATOM 1313 CA ASP A 82 16.040 3.819 1.907 1.00 54.13 C ATOM 1314 C ASP A 82 16.292 2.753 2.968 1.00 21.11 C ATOM 1315 O ASP A 82 15.948 2.931 4.136 1.00 50.13 O ATOM 1316 CB ASP A 82 14.802 4.639 2.274 1.00 75.33 C ATOM 1317 CG ASP A 82 15.140 6.075 2.622 1.00 61.14 C ATOM 1318 OD1 ASP A 82 15.325 6.884 1.688 1.00 0.13 O ATOM 1319 OD2 ASP A 82 15.219 6.390 3.827 1.00 24.12 O ATOM 0 H ASP A 82 16.457 3.624 -0.139 1.00 41.13 H new ATOM 0 HA ASP A 82 16.906 4.480 1.869 1.00 54.13 H new ATOM 0 HB2 ASP A 82 14.101 4.626 1.439 1.00 75.33 H new ATOM 0 HB3 ASP A 82 14.299 4.172 3.121 1.00 75.33 H new ATOM 1324 N GLY A 83 16.895 1.643 2.553 1.00 30.21 N ATOM 1325 CA GLY A 83 17.182 0.564 3.480 1.00 60.40 C ATOM 1326 C GLY A 83 15.928 -0.004 4.115 1.00 2.23 C ATOM 1327 O GLY A 83 15.969 -0.524 5.231 1.00 64.41 O ATOM 0 H GLY A 83 17.190 1.472 1.592 1.00 30.21 H new ATOM 0 HA2 GLY A 83 17.712 -0.231 2.955 1.00 60.40 H new ATOM 0 HA3 GLY A 83 17.848 0.928 4.262 1.00 60.40 H new ATOM 1331 N LEU A 84 14.810 0.097 3.406 1.00 53.41 N ATOM 1332 CA LEU A 84 13.537 -0.409 3.908 1.00 51.33 C ATOM 1333 C LEU A 84 13.252 -1.804 3.361 1.00 51.11 C ATOM 1334 O LEU A 84 12.948 -2.727 4.115 1.00 31.10 O ATOM 1335 CB LEU A 84 12.401 0.543 3.527 1.00 63.45 C ATOM 1336 CG LEU A 84 12.046 1.612 4.560 1.00 21.01 C ATOM 1337 CD1 LEU A 84 11.533 2.868 3.874 1.00 53.23 C ATOM 1338 CD2 LEU A 84 11.015 1.080 5.545 1.00 55.54 C ATOM 0 H LEU A 84 14.759 0.525 2.481 1.00 53.41 H new ATOM 0 HA LEU A 84 13.602 -0.471 4.994 1.00 51.33 H new ATOM 0 HB2 LEU A 84 12.669 1.041 2.595 1.00 63.45 H new ATOM 0 HB3 LEU A 84 11.509 -0.050 3.326 1.00 63.45 H new ATOM 0 HG LEU A 84 12.949 1.869 5.114 1.00 21.01 H new ATOM 0 HD11 LEU A 84 11.285 3.618 4.625 1.00 53.23 H new ATOM 0 HD12 LEU A 84 12.303 3.260 3.210 1.00 53.23 H new ATOM 0 HD13 LEU A 84 10.642 2.628 3.294 1.00 53.23 H new ATOM 0 HD21 LEU A 84 10.774 1.854 6.273 1.00 55.54 H new ATOM 0 HD22 LEU A 84 10.111 0.794 5.007 1.00 55.54 H new ATOM 0 HD23 LEU A 84 11.420 0.210 6.061 1.00 55.54 H new ATOM 1350 N GLY A 85 13.355 -1.950 2.043 1.00 33.13 N ATOM 1351 CA GLY A 85 13.107 -3.236 1.418 1.00 30.11 C ATOM 1352 C GLY A 85 11.668 -3.395 0.970 1.00 72.14 C ATOM 1353 O GLY A 85 10.741 -3.225 1.762 1.00 31.00 O ATOM 0 H GLY A 85 13.606 -1.201 1.398 1.00 33.13 H new ATOM 0 HA2 GLY A 85 13.767 -3.352 0.558 1.00 30.11 H new ATOM 0 HA3 GLY A 85 13.356 -4.032 2.120 1.00 30.11 H new ATOM 1357 N TYR A 86 11.480 -3.721 -0.304 1.00 55.44 N ATOM 1358 CA TYR A 86 10.143 -3.898 -0.858 1.00 75.32 C ATOM 1359 C TYR A 86 10.120 -5.038 -1.873 1.00 2.42 C ATOM 1360 O TYR A 86 11.141 -5.677 -2.127 1.00 71.13 O ATOM 1361 CB TYR A 86 9.665 -2.604 -1.518 1.00 13.41 C ATOM 1362 CG TYR A 86 9.418 -1.480 -0.537 1.00 40.41 C ATOM 1363 CD1 TYR A 86 8.213 -1.379 0.146 1.00 35.11 C ATOM 1364 CD2 TYR A 86 10.391 -0.518 -0.293 1.00 64.41 C ATOM 1365 CE1 TYR A 86 7.983 -0.353 1.042 1.00 32.43 C ATOM 1366 CE2 TYR A 86 10.171 0.510 0.603 1.00 51.04 C ATOM 1367 CZ TYR A 86 8.965 0.589 1.267 1.00 31.54 C ATOM 1368 OH TYR A 86 8.740 1.611 2.160 1.00 5.15 O ATOM 0 H TYR A 86 12.236 -3.868 -0.972 1.00 55.44 H new ATOM 0 HA TYR A 86 9.469 -4.150 -0.039 1.00 75.32 H new ATOM 0 HB2 TYR A 86 10.408 -2.282 -2.247 1.00 13.41 H new ATOM 0 HB3 TYR A 86 8.745 -2.804 -2.067 1.00 13.41 H new ATOM 0 HD1 TYR A 86 7.442 -2.116 -0.026 1.00 35.11 H new ATOM 0 HD2 TYR A 86 11.336 -0.575 -0.813 1.00 64.41 H new ATOM 0 HE1 TYR A 86 7.039 -0.289 1.563 1.00 32.43 H new ATOM 0 HE2 TYR A 86 10.939 1.248 0.782 1.00 51.04 H new ATOM 0 HH TYR A 86 8.126 1.305 2.860 1.00 5.15 H new ATOM 1378 N ARG A 87 8.949 -5.285 -2.449 1.00 55.44 N ATOM 1379 CA ARG A 87 8.791 -6.346 -3.436 1.00 24.50 C ATOM 1380 C ARG A 87 7.367 -6.374 -3.982 1.00 70.44 C ATOM 1381 O ARG A 87 6.401 -6.256 -3.229 1.00 22.11 O ATOM 1382 CB ARG A 87 9.138 -7.702 -2.817 1.00 44.14 C ATOM 1383 CG ARG A 87 8.783 -8.885 -3.704 1.00 3.45 C ATOM 1384 CD ARG A 87 7.840 -9.846 -2.998 1.00 21.23 C ATOM 1385 NE ARG A 87 6.587 -9.201 -2.614 1.00 24.22 N ATOM 1386 CZ ARG A 87 5.810 -9.634 -1.627 1.00 5.41 C ATOM 1387 NH1 ARG A 87 6.156 -10.706 -0.928 1.00 2.23 N ATOM 1388 NH2 ARG A 87 4.685 -8.993 -1.337 1.00 42.32 N ATOM 0 H ARG A 87 8.095 -4.765 -2.249 1.00 55.44 H new ATOM 0 HA ARG A 87 9.474 -6.145 -4.262 1.00 24.50 H new ATOM 0 HB2 ARG A 87 10.206 -7.730 -2.599 1.00 44.14 H new ATOM 0 HB3 ARG A 87 8.615 -7.802 -1.866 1.00 44.14 H new ATOM 0 HG2 ARG A 87 8.318 -8.526 -4.622 1.00 3.45 H new ATOM 0 HG3 ARG A 87 9.693 -9.412 -3.992 1.00 3.45 H new ATOM 0 HD2 ARG A 87 7.627 -10.691 -3.653 1.00 21.23 H new ATOM 0 HD3 ARG A 87 8.329 -10.246 -2.110 1.00 21.23 H new ATOM 0 HE ARG A 87 6.292 -8.373 -3.132 1.00 24.22 H new ATOM 0 HH11 ARG A 87 7.021 -11.201 -1.147 1.00 2.23 H new ATOM 0 HH12 ARG A 87 5.558 -11.036 -0.171 1.00 2.23 H new ATOM 0 HH21 ARG A 87 4.416 -8.167 -1.872 1.00 42.32 H new ATOM 0 HH22 ARG A 87 4.089 -9.326 -0.579 1.00 42.32 H new ATOM 1402 N GLN A 88 7.246 -6.531 -5.297 1.00 32.03 N ATOM 1403 CA GLN A 88 5.940 -6.573 -5.943 1.00 74.03 C ATOM 1404 C GLN A 88 5.284 -7.937 -5.757 1.00 35.11 C ATOM 1405 O GLN A 88 5.937 -8.902 -5.361 1.00 22.34 O ATOM 1406 CB GLN A 88 6.075 -6.258 -7.434 1.00 73.31 C ATOM 1407 CG GLN A 88 4.915 -5.450 -7.993 1.00 0.43 C ATOM 1408 CD GLN A 88 5.192 -3.959 -7.998 1.00 62.13 C ATOM 1409 OE1 GLN A 88 6.261 -3.513 -7.581 1.00 64.22 O ATOM 1410 NE2 GLN A 88 4.228 -3.179 -8.473 1.00 33.24 N ATOM 0 H GLN A 88 8.036 -6.631 -5.935 1.00 32.03 H new ATOM 0 HA GLN A 88 5.307 -5.819 -5.475 1.00 74.03 H new ATOM 0 HB2 GLN A 88 7.002 -5.709 -7.598 1.00 73.31 H new ATOM 0 HB3 GLN A 88 6.156 -7.193 -7.988 1.00 73.31 H new ATOM 0 HG2 GLN A 88 4.704 -5.780 -9.010 1.00 0.43 H new ATOM 0 HG3 GLN A 88 4.021 -5.648 -7.402 1.00 0.43 H new ATOM 0 HE21 GLN A 88 3.357 -3.591 -8.809 1.00 33.24 H new ATOM 0 HE22 GLN A 88 4.358 -2.168 -8.502 1.00 33.24 H new ATOM 1419 N ASP A 89 3.989 -8.009 -6.045 1.00 33.44 N ATOM 1420 CA ASP A 89 3.244 -9.256 -5.909 1.00 52.13 C ATOM 1421 C ASP A 89 2.144 -9.349 -6.962 1.00 50.33 C ATOM 1422 O ASP A 89 2.133 -8.590 -7.931 1.00 21.31 O ATOM 1423 CB ASP A 89 2.637 -9.363 -4.509 1.00 41.04 C ATOM 1424 CG ASP A 89 2.795 -10.748 -3.915 1.00 31.55 C ATOM 1425 OD1 ASP A 89 2.578 -11.736 -4.647 1.00 31.33 O ATOM 1426 OD2 ASP A 89 3.134 -10.845 -2.716 1.00 65.04 O ATOM 0 H ASP A 89 3.433 -7.219 -6.374 1.00 33.44 H new ATOM 0 HA ASP A 89 3.938 -10.083 -6.060 1.00 52.13 H new ATOM 0 HB2 ASP A 89 3.112 -8.633 -3.853 1.00 41.04 H new ATOM 0 HB3 ASP A 89 1.578 -9.109 -4.555 1.00 41.04 H new ATOM 1431 N ASN A 90 1.221 -10.284 -6.766 1.00 32.44 N ATOM 1432 CA ASN A 90 0.117 -10.478 -7.699 1.00 43.43 C ATOM 1433 C ASN A 90 0.543 -11.358 -8.871 1.00 4.54 C ATOM 1434 O ASN A 90 -0.255 -12.124 -9.408 1.00 11.04 O ATOM 1435 CB ASN A 90 -0.383 -9.127 -8.217 1.00 23.32 C ATOM 1436 CG ASN A 90 -1.849 -9.163 -8.602 1.00 40.12 C ATOM 1437 OD1 ASN A 90 -2.192 -9.383 -9.764 1.00 43.20 O ATOM 1438 ND2 ASN A 90 -2.723 -8.946 -7.626 1.00 44.40 N ATOM 0 H ASN A 90 1.215 -10.920 -5.969 1.00 32.44 H new ATOM 0 HA ASN A 90 -0.692 -10.979 -7.167 1.00 43.43 H new ATOM 0 HB2 ASN A 90 -0.230 -8.368 -7.450 1.00 23.32 H new ATOM 0 HB3 ASN A 90 0.210 -8.830 -9.082 1.00 23.32 H new ATOM 0 HD21 ASN A 90 -3.723 -8.958 -7.825 1.00 44.40 H new ATOM 0 HD22 ASN A 90 -2.394 -8.768 -6.677 1.00 44.40 H new ATOM 1445 N GLY A 91 1.809 -11.242 -9.261 1.00 41.53 N ATOM 1446 CA GLY A 91 2.320 -12.032 -10.366 1.00 30.23 C ATOM 1447 C GLY A 91 1.315 -12.172 -11.492 1.00 21.51 C ATOM 1448 O GLY A 91 0.709 -13.230 -11.663 1.00 2.42 O ATOM 0 H GLY A 91 2.490 -10.615 -8.832 1.00 41.53 H new ATOM 0 HA2 GLY A 91 3.229 -11.569 -10.750 1.00 30.23 H new ATOM 0 HA3 GLY A 91 2.595 -13.022 -10.004 1.00 30.23 H new ATOM 1452 N GLU A 92 1.137 -11.103 -12.261 1.00 1.32 N ATOM 1453 CA GLU A 92 0.196 -11.112 -13.375 1.00 1.53 C ATOM 1454 C GLU A 92 0.399 -9.891 -14.268 1.00 12.11 C ATOM 1455 O GLU A 92 0.138 -8.760 -13.859 1.00 53.40 O ATOM 1456 CB GLU A 92 -1.243 -11.144 -12.856 1.00 1.04 C ATOM 1457 CG GLU A 92 -2.288 -11.032 -13.953 1.00 33.45 C ATOM 1458 CD GLU A 92 -3.667 -10.707 -13.413 1.00 15.50 C ATOM 1459 OE1 GLU A 92 -3.819 -9.645 -12.773 1.00 54.15 O ATOM 1460 OE2 GLU A 92 -4.595 -11.514 -13.631 1.00 51.11 O ATOM 0 H GLU A 92 1.632 -10.220 -12.133 1.00 1.32 H new ATOM 0 HA GLU A 92 0.381 -12.009 -13.967 1.00 1.53 H new ATOM 0 HB2 GLU A 92 -1.402 -12.073 -12.308 1.00 1.04 H new ATOM 0 HB3 GLU A 92 -1.383 -10.328 -12.148 1.00 1.04 H new ATOM 0 HG2 GLU A 92 -1.987 -10.258 -14.659 1.00 33.45 H new ATOM 0 HG3 GLU A 92 -2.330 -11.970 -14.507 1.00 33.45 H new ATOM 1467 N TRP A 93 0.866 -10.129 -15.488 1.00 22.32 N ATOM 1468 CA TRP A 93 1.105 -9.050 -16.439 1.00 51.21 C ATOM 1469 C TRP A 93 0.969 -9.548 -17.874 1.00 21.44 C ATOM 1470 O TRP A 93 1.661 -10.479 -18.287 1.00 24.44 O ATOM 1471 CB TRP A 93 2.496 -8.451 -16.224 1.00 13.22 C ATOM 1472 CG TRP A 93 2.623 -7.691 -14.938 1.00 54.01 C ATOM 1473 CD1 TRP A 93 2.201 -6.415 -14.695 1.00 73.01 C ATOM 1474 CD2 TRP A 93 3.213 -8.159 -13.721 1.00 32.34 C ATOM 1475 NE1 TRP A 93 2.493 -6.062 -13.400 1.00 1.12 N ATOM 1476 CE2 TRP A 93 3.113 -7.115 -12.781 1.00 2.33 C ATOM 1477 CE3 TRP A 93 3.814 -9.360 -13.332 1.00 55.32 C ATOM 1478 CZ2 TRP A 93 3.594 -7.236 -11.480 1.00 34.44 C ATOM 1479 CZ3 TRP A 93 4.290 -9.479 -12.041 1.00 1.34 C ATOM 1480 CH2 TRP A 93 4.177 -8.423 -11.127 1.00 3.45 C ATOM 0 H TRP A 93 1.087 -11.060 -15.842 1.00 22.32 H new ATOM 0 HA TRP A 93 0.354 -8.278 -16.270 1.00 51.21 H new ATOM 0 HB2 TRP A 93 3.235 -9.252 -16.239 1.00 13.22 H new ATOM 0 HB3 TRP A 93 2.730 -7.786 -17.055 1.00 13.22 H new ATOM 0 HD1 TRP A 93 1.710 -5.777 -15.415 1.00 73.01 H new ATOM 0 HE1 TRP A 93 2.282 -5.162 -12.969 1.00 1.12 H new ATOM 0 HE3 TRP A 93 3.904 -10.180 -14.029 1.00 55.32 H new ATOM 0 HZ2 TRP A 93 3.510 -6.422 -10.775 1.00 34.44 H new ATOM 0 HZ3 TRP A 93 4.757 -10.402 -11.731 1.00 1.34 H new ATOM 0 HH2 TRP A 93 4.557 -8.548 -10.124 1.00 3.45 H new ATOM 1491 N THR A 94 0.073 -8.923 -18.631 1.00 32.23 N ATOM 1492 CA THR A 94 -0.154 -9.304 -20.019 1.00 30.40 C ATOM 1493 C THR A 94 0.684 -8.454 -20.967 1.00 23.14 C ATOM 1494 O THR A 94 0.913 -7.270 -20.717 1.00 74.44 O ATOM 1495 CB THR A 94 -1.639 -9.168 -20.403 1.00 74.34 C ATOM 1496 OG1 THR A 94 -2.456 -9.870 -19.459 1.00 70.14 O ATOM 1497 CG2 THR A 94 -1.889 -9.714 -21.801 1.00 43.25 C ATOM 0 H THR A 94 -0.508 -8.150 -18.306 1.00 32.23 H new ATOM 0 HA THR A 94 0.144 -10.348 -20.113 1.00 30.40 H new ATOM 0 HB THR A 94 -1.898 -8.109 -20.391 1.00 74.34 H new ATOM 0 HG1 THR A 94 -3.399 -9.777 -19.710 1.00 70.14 H new ATOM 0 HG21 THR A 94 -2.945 -9.607 -22.050 1.00 43.25 H new ATOM 0 HG22 THR A 94 -1.288 -9.159 -22.521 1.00 43.25 H new ATOM 0 HG23 THR A 94 -1.613 -10.768 -21.835 1.00 43.25 H new ATOM 1505 N VAL A 95 1.141 -9.065 -22.056 1.00 14.14 N ATOM 1506 CA VAL A 95 1.953 -8.363 -23.042 1.00 54.13 C ATOM 1507 C VAL A 95 1.098 -7.434 -23.897 1.00 11.43 C ATOM 1508 O VAL A 95 0.071 -7.842 -24.438 1.00 21.21 O ATOM 1509 CB VAL A 95 2.696 -9.350 -23.962 1.00 54.33 C ATOM 1510 CG1 VAL A 95 3.537 -8.599 -24.983 1.00 54.51 C ATOM 1511 CG2 VAL A 95 3.558 -10.296 -23.141 1.00 63.35 C ATOM 0 H VAL A 95 0.962 -10.045 -22.277 1.00 14.14 H new ATOM 0 HA VAL A 95 2.684 -7.773 -22.488 1.00 54.13 H new ATOM 0 HB VAL A 95 1.958 -9.943 -24.502 1.00 54.33 H new ATOM 0 HG11 VAL A 95 4.054 -9.313 -25.624 1.00 54.51 H new ATOM 0 HG12 VAL A 95 2.891 -7.966 -25.592 1.00 54.51 H new ATOM 0 HG13 VAL A 95 4.269 -7.979 -24.466 1.00 54.51 H new ATOM 0 HG21 VAL A 95 4.076 -10.987 -23.807 1.00 63.35 H new ATOM 0 HG22 VAL A 95 4.290 -9.721 -22.573 1.00 63.35 H new ATOM 0 HG23 VAL A 95 2.927 -10.859 -22.454 1.00 63.35 H new ATOM 1521 N GLU A 96 1.530 -6.182 -24.013 1.00 54.34 N ATOM 1522 CA GLU A 96 0.803 -5.194 -24.803 1.00 33.25 C ATOM 1523 C GLU A 96 1.739 -4.093 -25.292 1.00 71.24 C ATOM 1524 O GLU A 96 1.306 -2.980 -25.586 1.00 75.05 O ATOM 1525 CB GLU A 96 -0.332 -4.584 -23.977 1.00 1.00 C ATOM 1526 CG GLU A 96 -1.670 -5.277 -24.175 1.00 43.35 C ATOM 1527 CD GLU A 96 -2.812 -4.297 -24.362 1.00 1.01 C ATOM 1528 OE1 GLU A 96 -2.729 -3.179 -23.811 1.00 55.15 O ATOM 1529 OE2 GLU A 96 -3.788 -4.648 -25.057 1.00 43.15 O ATOM 0 H GLU A 96 2.378 -5.828 -23.571 1.00 54.34 H new ATOM 0 HA GLU A 96 0.380 -5.700 -25.671 1.00 33.25 H new ATOM 0 HB2 GLU A 96 -0.064 -4.625 -22.921 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -0.435 -3.531 -24.239 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -1.611 -5.931 -25.045 1.00 43.35 H new ATOM 0 HG3 GLU A 96 -1.878 -5.911 -23.313 1.00 43.35 H new ATOM 1536 N GLY A 97 3.027 -4.413 -25.377 1.00 33.42 N ATOM 1537 CA GLY A 97 4.005 -3.442 -25.830 1.00 54.24 C ATOM 1538 C GLY A 97 5.242 -4.094 -26.414 1.00 42.11 C ATOM 1539 O GLY A 97 6.023 -4.717 -25.694 1.00 52.11 O ATOM 0 H GLY A 97 3.410 -5.328 -25.140 1.00 33.42 H new ATOM 0 HA2 GLY A 97 3.550 -2.796 -26.581 1.00 54.24 H new ATOM 0 HA3 GLY A 97 4.294 -2.805 -24.994 1.00 54.24 H new ATOM 1543 N PHE A 98 5.422 -3.952 -27.723 1.00 61.42 N ATOM 1544 CA PHE A 98 6.572 -4.535 -28.404 1.00 65.11 C ATOM 1545 C PHE A 98 7.799 -3.639 -28.263 1.00 42.45 C ATOM 1546 O PHE A 98 7.703 -2.504 -27.796 1.00 54.21 O ATOM 1547 CB PHE A 98 6.257 -4.758 -29.885 1.00 14.24 C ATOM 1548 CG PHE A 98 6.068 -6.203 -30.247 1.00 24.35 C ATOM 1549 CD1 PHE A 98 7.119 -7.101 -30.138 1.00 14.31 C ATOM 1550 CD2 PHE A 98 4.841 -6.665 -30.695 1.00 3.12 C ATOM 1551 CE1 PHE A 98 6.948 -8.431 -30.471 1.00 61.11 C ATOM 1552 CE2 PHE A 98 4.665 -7.994 -31.029 1.00 72.41 C ATOM 1553 CZ PHE A 98 5.719 -8.879 -30.916 1.00 5.20 C ATOM 0 H PHE A 98 4.786 -3.438 -28.333 1.00 61.42 H new ATOM 0 HA PHE A 98 6.789 -5.496 -27.938 1.00 65.11 H new ATOM 0 HB2 PHE A 98 5.353 -4.206 -30.143 1.00 14.24 H new ATOM 0 HB3 PHE A 98 7.066 -4.344 -30.487 1.00 14.24 H new ATOM 0 HD1 PHE A 98 8.081 -6.757 -29.789 1.00 14.31 H new ATOM 0 HD2 PHE A 98 4.012 -5.978 -30.784 1.00 3.12 H new ATOM 0 HE1 PHE A 98 7.775 -9.120 -30.383 1.00 61.11 H new ATOM 0 HE2 PHE A 98 3.704 -8.341 -31.378 1.00 72.41 H new ATOM 0 HZ PHE A 98 5.583 -9.919 -31.175 1.00 5.20 H new ATOM 1563 N VAL A 99 8.953 -4.157 -28.671 1.00 5.00 N ATOM 1564 CA VAL A 99 10.200 -3.405 -28.591 1.00 51.35 C ATOM 1565 C VAL A 99 11.304 -4.084 -29.394 1.00 11.11 C ATOM 1566 O VAL A 99 11.081 -5.118 -30.024 1.00 22.02 O ATOM 1567 CB VAL A 99 10.666 -3.243 -27.132 1.00 71.33 C ATOM 1568 CG1 VAL A 99 10.619 -1.781 -26.715 1.00 64.24 C ATOM 1569 CG2 VAL A 99 9.816 -4.098 -26.204 1.00 61.14 C ATOM 0 H VAL A 99 9.050 -5.095 -29.060 1.00 5.00 H new ATOM 0 HA VAL A 99 10.002 -2.419 -29.012 1.00 51.35 H new ATOM 0 HB VAL A 99 11.699 -3.583 -27.059 1.00 71.33 H new ATOM 0 HG11 VAL A 99 10.952 -1.687 -25.681 1.00 64.24 H new ATOM 0 HG12 VAL A 99 11.274 -1.197 -27.362 1.00 64.24 H new ATOM 0 HG13 VAL A 99 9.598 -1.410 -26.803 1.00 64.24 H new ATOM 0 HG21 VAL A 99 10.159 -3.972 -25.177 1.00 61.14 H new ATOM 0 HG22 VAL A 99 8.773 -3.790 -26.279 1.00 61.14 H new ATOM 0 HG23 VAL A 99 9.906 -5.146 -26.490 1.00 61.14 H new ATOM 1579 N ASP A 100 12.495 -3.496 -29.366 1.00 71.12 N ATOM 1580 CA ASP A 100 13.636 -4.045 -30.090 1.00 34.31 C ATOM 1581 C ASP A 100 14.909 -3.942 -29.256 1.00 41.54 C ATOM 1582 O ASP A 100 15.147 -2.933 -28.593 1.00 41.34 O ATOM 1583 CB ASP A 100 13.822 -3.315 -31.421 1.00 74.41 C ATOM 1584 CG ASP A 100 14.812 -2.172 -31.321 1.00 64.30 C ATOM 1585 OD1 ASP A 100 14.606 -1.281 -30.471 1.00 3.31 O ATOM 1586 OD2 ASP A 100 15.794 -2.170 -32.092 1.00 44.32 O ATOM 0 H ASP A 100 12.696 -2.639 -28.850 1.00 71.12 H new ATOM 0 HA ASP A 100 13.437 -5.098 -30.288 1.00 34.31 H new ATOM 0 HB2 ASP A 100 14.164 -4.023 -32.176 1.00 74.41 H new ATOM 0 HB3 ASP A 100 12.860 -2.930 -31.758 1.00 74.41 H new ATOM 1591 N GLU A 101 15.723 -4.992 -29.295 1.00 31.00 N ATOM 1592 CA GLU A 101 16.971 -5.019 -28.541 1.00 52.32 C ATOM 1593 C GLU A 101 18.106 -4.394 -29.347 1.00 4.23 C ATOM 1594 O GLU A 101 19.211 -4.933 -29.403 1.00 3.52 O ATOM 1595 CB GLU A 101 17.332 -6.456 -28.160 1.00 51.05 C ATOM 1596 CG GLU A 101 18.428 -6.551 -27.112 1.00 51.04 C ATOM 1597 CD GLU A 101 18.556 -7.944 -26.526 1.00 53.34 C ATOM 1598 OE1 GLU A 101 19.234 -8.789 -27.147 1.00 32.04 O ATOM 1599 OE2 GLU A 101 17.977 -8.188 -25.447 1.00 1.22 O ATOM 0 H GLU A 101 15.541 -5.835 -29.840 1.00 31.00 H new ATOM 0 HA GLU A 101 16.829 -4.435 -27.632 1.00 52.32 H new ATOM 0 HB2 GLU A 101 16.440 -6.959 -27.787 1.00 51.05 H new ATOM 0 HB3 GLU A 101 17.649 -6.991 -29.055 1.00 51.05 H new ATOM 0 HG2 GLU A 101 19.379 -6.260 -27.559 1.00 51.04 H new ATOM 0 HG3 GLU A 101 18.222 -5.841 -26.311 1.00 51.04 H new ATOM 1606 N ALA A 102 17.825 -3.254 -29.969 1.00 53.12 N ATOM 1607 CA ALA A 102 18.822 -2.554 -30.770 1.00 75.43 C ATOM 1608 C ALA A 102 18.546 -1.055 -30.802 1.00 44.12 C ATOM 1609 O ALA A 102 19.454 -0.243 -30.616 1.00 22.51 O ATOM 1610 CB ALA A 102 18.853 -3.117 -32.183 1.00 73.54 C ATOM 0 H ALA A 102 16.915 -2.795 -29.934 1.00 53.12 H new ATOM 0 HA ALA A 102 19.797 -2.708 -30.308 1.00 75.43 H new ATOM 0 HB1 ALA A 102 19.602 -2.585 -32.770 1.00 73.54 H new ATOM 0 HB2 ALA A 102 19.106 -4.177 -32.147 1.00 73.54 H new ATOM 0 HB3 ALA A 102 17.874 -2.993 -32.646 1.00 73.54 H new TER 1616 ALA A 102