USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1139 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 SER OG : rot -179:sc= -0.437 USER MOD Set 1.2: A 155 THR OG1 : rot -76:sc= -1.27 USER MOD Set 2.1: A 124 HIS :FLIP no HD1:sc= -2.15! C(o=-4.9!,f=-2.2!) USER MOD Set 2.2: A 125 MET CE :methyl 176:sc= -0.0129 (180deg=0) USER MOD Set 3.1: A 86 SER OG : rot -48:sc= -2.35! USER MOD Set 3.2: A 92 SER OG : rot -39:sc= 0.852 USER MOD Set 4.1: A 89 SER OG : rot 180:sc= -0.291 USER MOD Set 4.2: A 91 LYS NZ :NH3+ 157:sc= -0.0631 (180deg=-0.601) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -138:sc= 0.677 (180deg=0) USER MOD Set 5.2: A 57 GLN :FLIP amide:sc= -0.228 F(o=-3.2,f=0.45) USER MOD Set 6.1: A 25 GLN : amide:sc= -20.6! C(o=-25!,f=-25!) USER MOD Set 6.2: A 153 ASN :FLIP amide:sc= -3.92! C(o=-26!,f=-25!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 140:sc=-0.00408 USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= -2.55! (180deg=-4.76!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 21 SER OG : rot -23:sc= -2.21! USER MOD Single : A 23 THR OG1 : rot 84:sc= 0.92 USER MOD Single : A 30 GLN : amide:sc= -6.82! C(o=-6.8!,f=-7.6!) USER MOD Single : A 41 ASN :FLIP amide:sc= -1.27! C(o=-2.1!,f=-1.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -1.29! (180deg=-1.85!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -3.8! C(o=-4.5!,f=-3.8!) USER MOD Single : A 52 GLN : amide:sc= -0.789 K(o=-0.79,f=-2!) USER MOD Single : A 54 TYR OH : rot 82:sc= -2.69! USER MOD Single : A 55 HIS : no HD1:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.74 F(o=-3.1,f=-1.7) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 165:sc= -2.08! USER MOD Single : A 88 THR OG1 : rot 84:sc= 0.803 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -9.88! C(o=-9.9!,f=-13!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.8) USER MOD Single : A 115 MET CE :methyl -178:sc= -1.09 (180deg=-1.11) USER MOD Single : A 119 ASN : amide:sc= -2.89! C(o=-2.9!,f=-4.6!) USER MOD Single : A 120 LYS NZ :NH3+ -128:sc= -1.71! (180deg=-8.78!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot -41:sc= -0.141 USER MOD Single : A 131 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 135 LYS NZ :NH3+ -150:sc= -0.13 (180deg=-0.712) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.095) USER MOD Single : A 148 SER OG : rot 130:sc= -1.98! USER MOD Single : A 151 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00648) USER MOD Single : A 154 GLN : amide:sc= -3.21! C(o=-3.2!,f=-4.8!) USER MOD Single : A 169 LYS NZ :NH3+ -154:sc= -0.174 (180deg=-0.927) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 6 -13.676 -4.159 -6.038 1.00 0.00 N ATOM 2 CA SER A 6 -12.629 -3.776 -6.969 1.00 0.00 C ATOM 3 C SER A 6 -11.973 -2.473 -6.524 1.00 0.00 C ATOM 4 O SER A 6 -12.581 -1.403 -6.573 1.00 0.00 O ATOM 5 CB SER A 6 -13.210 -3.592 -8.358 1.00 0.00 C ATOM 6 OG SER A 6 -12.455 -4.353 -9.292 1.00 0.00 O ATOM 0 HA SER A 6 -11.880 -4.568 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.253 -3.909 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.194 -2.538 -8.634 1.00 0.00 H new ATOM 0 HG SER A 6 -12.831 -4.236 -10.189 1.00 0.00 H new ATOM 12 N ARG A 7 -10.730 -2.583 -6.093 1.00 0.00 N ATOM 13 CA ARG A 7 -9.963 -1.428 -5.630 1.00 0.00 C ATOM 14 C ARG A 7 -8.527 -1.535 -6.129 1.00 0.00 C ATOM 15 O ARG A 7 -7.941 -2.615 -6.078 1.00 0.00 O ATOM 16 CB ARG A 7 -9.976 -1.353 -4.099 1.00 0.00 C ATOM 17 CG ARG A 7 -10.962 -2.380 -3.536 1.00 0.00 C ATOM 18 CD ARG A 7 -11.023 -2.252 -2.013 1.00 0.00 C ATOM 19 NE ARG A 7 -12.019 -1.255 -1.635 1.00 0.00 N ATOM 20 CZ ARG A 7 -12.699 -1.348 -0.494 1.00 0.00 C ATOM 21 NH1 ARG A 7 -12.473 -2.336 0.330 1.00 0.00 N ATOM 22 NH2 ARG A 7 -13.594 -0.446 -0.197 1.00 0.00 N ATOM 0 H ARG A 7 -10.221 -3.466 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.420 -0.521 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.976 -1.543 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.258 -0.350 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.952 -2.221 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.652 -3.387 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.274 -3.215 -1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.045 -1.967 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.199 -0.469 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.773 -3.041 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.997 -2.402 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.771 0.327 -0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.117 -0.514 0.676 1.00 0.00 H new ATOM 36 N LYS A 8 -7.950 -0.434 -6.617 1.00 0.00 N ATOM 37 CA LYS A 8 -6.593 -0.487 -7.104 1.00 0.00 C ATOM 38 C LYS A 8 -5.695 0.248 -6.131 1.00 0.00 C ATOM 39 O LYS A 8 -5.985 1.370 -5.753 1.00 0.00 O ATOM 40 CB LYS A 8 -6.518 0.143 -8.495 1.00 0.00 C ATOM 41 CG LYS A 8 -7.819 -0.131 -9.251 1.00 0.00 C ATOM 42 CD LYS A 8 -7.685 0.357 -10.694 1.00 0.00 C ATOM 43 CE LYS A 8 -8.961 0.022 -11.466 1.00 0.00 C ATOM 44 NZ LYS A 8 -8.628 -0.869 -12.613 1.00 0.00 N ATOM 0 H LYS A 8 -8.399 0.480 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.262 -1.523 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.353 1.217 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.672 -0.267 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.042 -1.198 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.650 0.376 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.509 1.433 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.825 -0.114 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.679 -0.467 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.431 0.937 -11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.160 -0.566 -13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.608 -0.814 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.883 -1.849 -12.376 1.00 0.00 H new ATOM 58 N ILE A 9 -4.634 -0.403 -5.687 1.00 0.00 N ATOM 59 CA ILE A 9 -3.749 0.205 -4.728 1.00 0.00 C ATOM 60 C ILE A 9 -2.458 0.708 -5.404 1.00 0.00 C ATOM 61 O ILE A 9 -1.761 -0.031 -6.068 1.00 0.00 O ATOM 62 CB ILE A 9 -3.449 -0.799 -3.600 1.00 0.00 C ATOM 63 CG1 ILE A 9 -4.596 -1.854 -3.435 1.00 0.00 C ATOM 64 CG2 ILE A 9 -3.276 -0.036 -2.305 1.00 0.00 C ATOM 65 CD1 ILE A 9 -5.897 -1.249 -2.908 1.00 0.00 C ATOM 0 H ILE A 9 -4.372 -1.345 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.236 1.078 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.538 -1.341 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.787 -2.328 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.265 -2.638 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.063 -0.735 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.449 0.667 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.192 0.511 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.651 -2.031 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.720 -0.799 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.250 -0.485 -3.600 1.00 0.00 H new ATOM 77 N ALA A 10 -2.154 1.988 -5.247 1.00 0.00 N ATOM 78 CA ALA A 10 -0.961 2.564 -5.882 1.00 0.00 C ATOM 79 C ALA A 10 0.281 2.336 -5.032 1.00 0.00 C ATOM 80 O ALA A 10 0.246 2.517 -3.826 1.00 0.00 O ATOM 81 CB ALA A 10 -1.136 4.058 -6.033 1.00 0.00 C ATOM 0 H ALA A 10 -2.704 2.646 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.839 2.079 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.249 4.482 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.009 4.261 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.276 4.509 -5.051 1.00 0.00 H new ATOM 87 N ILE A 11 1.374 1.938 -5.674 1.00 0.00 N ATOM 88 CA ILE A 11 2.627 1.659 -4.955 1.00 0.00 C ATOM 89 C ILE A 11 3.586 2.843 -4.948 1.00 0.00 C ATOM 90 O ILE A 11 3.838 3.475 -5.973 1.00 0.00 O ATOM 91 CB ILE A 11 3.338 0.462 -5.589 1.00 0.00 C ATOM 92 CG1 ILE A 11 2.350 -0.693 -5.808 1.00 0.00 C ATOM 93 CG2 ILE A 11 4.455 -0.006 -4.654 1.00 0.00 C ATOM 94 CD1 ILE A 11 3.027 -1.791 -6.633 1.00 0.00 C ATOM 0 H ILE A 11 1.425 1.800 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 11 2.348 1.447 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 11 3.750 0.763 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.023 -1.093 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.460 -0.332 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.968 -0.859 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.166 0.806 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.028 -0.298 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.327 -2.612 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.332 -1.385 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.904 -2.158 -6.100 1.00 0.00 H new ATOM 106 N LEU A 12 4.125 3.111 -3.759 1.00 0.00 N ATOM 107 CA LEU A 12 5.079 4.196 -3.560 1.00 0.00 C ATOM 108 C LEU A 12 6.323 3.654 -2.851 1.00 0.00 C ATOM 109 O LEU A 12 6.312 3.451 -1.637 1.00 0.00 O ATOM 110 CB LEU A 12 4.434 5.284 -2.702 1.00 0.00 C ATOM 111 CG LEU A 12 4.887 6.667 -3.170 1.00 0.00 C ATOM 112 CD1 LEU A 12 4.307 7.732 -2.239 1.00 0.00 C ATOM 113 CD2 LEU A 12 6.416 6.751 -3.143 1.00 0.00 C ATOM 0 H LEU A 12 3.913 2.584 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 12 5.365 4.615 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.348 5.209 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.705 5.140 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 12 4.535 6.834 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.629 8.719 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.218 7.679 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.660 7.558 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.732 7.739 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.772 6.581 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.834 5.993 -3.805 1.00 0.00 H new ATOM 125 N GLY A 13 7.387 3.404 -3.606 1.00 0.00 N ATOM 126 CA GLY A 13 8.608 2.871 -3.017 1.00 0.00 C ATOM 127 C GLY A 13 9.851 3.479 -3.652 1.00 0.00 C ATOM 128 O GLY A 13 9.963 3.560 -4.875 1.00 0.00 O ATOM 0 H GLY A 13 7.429 3.559 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.612 3.070 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.629 1.788 -3.140 1.00 0.00 H new ATOM 132 N TYR A 14 10.791 3.885 -2.812 1.00 0.00 N ATOM 133 CA TYR A 14 12.037 4.460 -3.297 1.00 0.00 C ATOM 134 C TYR A 14 12.704 3.508 -4.273 1.00 0.00 C ATOM 135 O TYR A 14 12.093 2.547 -4.740 1.00 0.00 O ATOM 136 CB TYR A 14 12.970 4.723 -2.114 1.00 0.00 C ATOM 137 CG TYR A 14 13.695 6.032 -2.309 1.00 0.00 C ATOM 138 CD1 TYR A 14 12.969 7.224 -2.387 1.00 0.00 C ATOM 139 CD2 TYR A 14 15.093 6.055 -2.399 1.00 0.00 C ATOM 140 CE1 TYR A 14 13.641 8.443 -2.559 1.00 0.00 C ATOM 141 CE2 TYR A 14 15.764 7.272 -2.571 1.00 0.00 C ATOM 142 CZ TYR A 14 15.038 8.465 -2.651 1.00 0.00 C ATOM 143 OH TYR A 14 15.699 9.665 -2.819 1.00 0.00 O ATOM 0 H TYR A 14 10.716 3.828 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 14 11.824 5.398 -3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.397 4.750 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.690 3.910 -2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.892 7.206 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.653 5.134 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.081 9.364 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.842 7.290 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 14 16.665 9.503 -2.863 1.00 0.00 H new ATOM 153 N ARG A 15 13.955 3.785 -4.580 1.00 0.00 N ATOM 154 CA ARG A 15 14.702 2.945 -5.506 1.00 0.00 C ATOM 155 C ARG A 15 15.572 1.948 -4.749 1.00 0.00 C ATOM 156 O ARG A 15 16.344 2.324 -3.868 1.00 0.00 O ATOM 157 CB ARG A 15 15.585 3.808 -6.403 1.00 0.00 C ATOM 158 CG ARG A 15 15.874 3.066 -7.711 1.00 0.00 C ATOM 159 CD ARG A 15 17.272 3.438 -8.208 1.00 0.00 C ATOM 160 NE ARG A 15 18.282 2.668 -7.493 1.00 0.00 N ATOM 161 CZ ARG A 15 19.523 3.123 -7.348 1.00 0.00 C ATOM 162 NH1 ARG A 15 19.860 4.278 -7.855 1.00 0.00 N ATOM 163 NH2 ARG A 15 20.407 2.414 -6.701 1.00 0.00 N ATOM 0 H ARG A 15 14.477 4.578 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 15 13.987 2.396 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.090 4.756 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.519 4.043 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.806 1.990 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.128 3.326 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.348 3.246 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.446 4.504 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 15 18.032 1.762 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.171 4.833 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.812 4.626 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 15 20.146 1.510 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.359 2.763 -6.590 1.00 0.00 H new ATOM 177 N SER A 16 15.441 0.678 -5.115 1.00 0.00 N ATOM 178 CA SER A 16 16.210 -0.384 -4.498 1.00 0.00 C ATOM 179 C SER A 16 15.661 -0.730 -3.120 1.00 0.00 C ATOM 180 O SER A 16 16.266 -1.498 -2.371 1.00 0.00 O ATOM 181 CB SER A 16 17.657 0.041 -4.392 1.00 0.00 C ATOM 182 OG SER A 16 17.973 0.915 -5.467 1.00 0.00 O ATOM 0 H SER A 16 14.801 0.362 -5.844 1.00 0.00 H new ATOM 0 HA SER A 16 16.135 -1.276 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.832 0.541 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.307 -0.834 -4.417 1.00 0.00 H new ATOM 0 HG SER A 16 18.546 1.640 -5.141 1.00 0.00 H new ATOM 188 N VAL A 17 14.507 -0.164 -2.795 1.00 0.00 N ATOM 189 CA VAL A 17 13.876 -0.421 -1.510 1.00 0.00 C ATOM 190 C VAL A 17 13.185 -1.782 -1.504 1.00 0.00 C ATOM 191 O VAL A 17 12.905 -2.331 -0.438 1.00 0.00 O ATOM 192 CB VAL A 17 12.860 0.664 -1.198 1.00 0.00 C ATOM 193 CG1 VAL A 17 11.820 0.737 -2.304 1.00 0.00 C ATOM 194 CG2 VAL A 17 12.166 0.326 0.110 1.00 0.00 C ATOM 0 H VAL A 17 13.991 0.474 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 17 14.654 -0.420 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 17 13.370 1.624 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.096 1.518 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.310 0.967 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.307 -0.221 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.434 1.099 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.661 -0.635 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.904 0.272 0.910 1.00 0.00 H new ATOM 204 N GLY A 18 12.908 -2.321 -2.692 1.00 0.00 N ATOM 205 CA GLY A 18 12.245 -3.618 -2.787 1.00 0.00 C ATOM 206 C GLY A 18 10.790 -3.460 -3.213 1.00 0.00 C ATOM 207 O GLY A 18 9.931 -4.250 -2.824 1.00 0.00 O ATOM 0 H GLY A 18 13.129 -1.886 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.771 -4.247 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.292 -4.126 -1.824 1.00 0.00 H new ATOM 211 N LYS A 19 10.520 -2.438 -4.013 1.00 0.00 N ATOM 212 CA LYS A 19 9.164 -2.189 -4.485 1.00 0.00 C ATOM 213 C LYS A 19 8.645 -3.390 -5.270 1.00 0.00 C ATOM 214 O LYS A 19 7.622 -3.984 -4.920 1.00 0.00 O ATOM 215 CB LYS A 19 9.151 -0.948 -5.381 1.00 0.00 C ATOM 216 CG LYS A 19 7.707 -0.520 -5.650 1.00 0.00 C ATOM 217 CD LYS A 19 7.675 0.453 -6.831 1.00 0.00 C ATOM 218 CE LYS A 19 8.513 1.687 -6.501 1.00 0.00 C ATOM 219 NZ LYS A 19 9.954 1.395 -6.750 1.00 0.00 N ATOM 0 H LYS A 19 11.216 -1.772 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 19 8.517 -2.025 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.698 -0.136 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.658 -1.162 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.092 -1.393 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.286 -0.046 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.062 -0.033 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.647 0.746 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.192 2.531 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.364 1.972 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.472 1.411 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.047 0.456 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.349 2.114 -7.389 1.00 0.00 H new ATOM 233 N SER A 20 9.355 -3.732 -6.336 1.00 0.00 N ATOM 234 CA SER A 20 8.966 -4.852 -7.181 1.00 0.00 C ATOM 235 C SER A 20 9.170 -6.185 -6.462 1.00 0.00 C ATOM 236 O SER A 20 8.498 -7.169 -6.769 1.00 0.00 O ATOM 237 CB SER A 20 9.785 -4.830 -8.475 1.00 0.00 C ATOM 238 OG SER A 20 10.124 -3.484 -8.793 1.00 0.00 O ATOM 0 H SER A 20 10.203 -3.250 -6.636 1.00 0.00 H new ATOM 0 HA SER A 20 7.906 -4.752 -7.414 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.689 -5.427 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.213 -5.275 -9.289 1.00 0.00 H new ATOM 0 HG SER A 20 10.650 -3.466 -9.620 1.00 0.00 H new ATOM 244 N SER A 21 10.094 -6.219 -5.509 1.00 0.00 N ATOM 245 CA SER A 21 10.360 -7.443 -4.777 1.00 0.00 C ATOM 246 C SER A 21 9.140 -7.867 -3.978 1.00 0.00 C ATOM 247 O SER A 21 8.751 -9.034 -4.006 1.00 0.00 O ATOM 248 CB SER A 21 11.538 -7.240 -3.835 1.00 0.00 C ATOM 249 OG SER A 21 11.208 -6.234 -2.887 1.00 0.00 O ATOM 0 H SER A 21 10.664 -5.420 -5.230 1.00 0.00 H new ATOM 0 HA SER A 21 10.599 -8.227 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.777 -8.173 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.424 -6.949 -4.399 1.00 0.00 H new ATOM 0 HG SER A 21 10.505 -5.657 -3.253 1.00 0.00 H new ATOM 255 N LEU A 22 8.532 -6.926 -3.257 1.00 0.00 N ATOM 256 CA LEU A 22 7.364 -7.274 -2.469 1.00 0.00 C ATOM 257 C LEU A 22 6.171 -7.541 -3.375 1.00 0.00 C ATOM 258 O LEU A 22 5.510 -8.564 -3.240 1.00 0.00 O ATOM 259 CB LEU A 22 7.015 -6.190 -1.441 1.00 0.00 C ATOM 260 CG LEU A 22 5.718 -6.561 -0.702 1.00 0.00 C ATOM 261 CD1 LEU A 22 5.822 -7.981 -0.121 1.00 0.00 C ATOM 262 CD2 LEU A 22 5.491 -5.570 0.442 1.00 0.00 C ATOM 0 H LEU A 22 8.821 -5.949 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 22 7.607 -8.182 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.831 -6.079 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.896 -5.229 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 22 4.886 -6.523 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.897 -8.230 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.987 -8.694 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.656 -8.027 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.573 -5.828 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.332 -5.614 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.406 -4.561 0.038 1.00 0.00 H new ATOM 274 N THR A 23 5.895 -6.629 -4.302 1.00 0.00 N ATOM 275 CA THR A 23 4.779 -6.811 -5.207 1.00 0.00 C ATOM 276 C THR A 23 4.743 -8.246 -5.721 1.00 0.00 C ATOM 277 O THR A 23 3.673 -8.828 -5.871 1.00 0.00 O ATOM 278 CB THR A 23 4.899 -5.844 -6.385 1.00 0.00 C ATOM 279 OG1 THR A 23 5.014 -4.514 -5.898 1.00 0.00 O ATOM 280 CG2 THR A 23 3.656 -5.965 -7.258 1.00 0.00 C ATOM 0 H THR A 23 6.425 -5.769 -4.441 1.00 0.00 H new ATOM 0 HA THR A 23 3.855 -6.606 -4.666 1.00 0.00 H new ATOM 0 HB THR A 23 5.784 -6.088 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.949 -4.329 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.735 -5.278 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.570 -6.986 -7.629 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.773 -5.718 -6.669 1.00 0.00 H new ATOM 288 N ILE A 24 5.924 -8.799 -5.993 1.00 0.00 N ATOM 289 CA ILE A 24 6.040 -10.170 -6.499 1.00 0.00 C ATOM 290 C ILE A 24 5.846 -11.189 -5.370 1.00 0.00 C ATOM 291 O ILE A 24 5.161 -12.193 -5.543 1.00 0.00 O ATOM 292 CB ILE A 24 7.418 -10.350 -7.159 1.00 0.00 C ATOM 293 CG1 ILE A 24 7.316 -10.065 -8.665 1.00 0.00 C ATOM 294 CG2 ILE A 24 7.920 -11.785 -6.966 1.00 0.00 C ATOM 295 CD1 ILE A 24 6.622 -8.720 -8.916 1.00 0.00 C ATOM 0 H ILE A 24 6.816 -8.320 -5.872 1.00 0.00 H new ATOM 0 HA ILE A 24 5.258 -10.344 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 24 8.115 -9.654 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.313 -10.054 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.759 -10.864 -9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.896 -11.896 -7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.006 -12.000 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.215 -12.481 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.560 -8.537 -9.989 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.618 -8.744 -8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.195 -7.921 -8.444 1.00 0.00 H new ATOM 307 N GLN A 25 6.458 -10.938 -4.221 1.00 0.00 N ATOM 308 CA GLN A 25 6.339 -11.856 -3.088 1.00 0.00 C ATOM 309 C GLN A 25 4.893 -11.939 -2.609 1.00 0.00 C ATOM 310 O GLN A 25 4.416 -13.009 -2.265 1.00 0.00 O ATOM 311 CB GLN A 25 7.275 -11.387 -1.956 1.00 0.00 C ATOM 312 CG GLN A 25 6.807 -11.850 -0.560 1.00 0.00 C ATOM 313 CD GLN A 25 6.832 -13.368 -0.449 1.00 0.00 C ATOM 314 OE1 GLN A 25 5.898 -14.042 -0.868 1.00 0.00 O ATOM 315 NE2 GLN A 25 7.847 -13.951 0.119 1.00 0.00 N ATOM 0 H GLN A 25 7.037 -10.117 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 25 6.635 -12.857 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.280 -11.767 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.338 -10.299 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.450 -11.416 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.797 -11.485 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.626 -13.393 0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.864 -14.966 0.215 1.00 0.00 H new ATOM 324 N PHE A 26 4.209 -10.808 -2.573 1.00 0.00 N ATOM 325 CA PHE A 26 2.827 -10.774 -2.111 1.00 0.00 C ATOM 326 C PHE A 26 1.870 -11.345 -3.147 1.00 0.00 C ATOM 327 O PHE A 26 1.182 -12.334 -2.902 1.00 0.00 O ATOM 328 CB PHE A 26 2.415 -9.332 -1.833 1.00 0.00 C ATOM 329 CG PHE A 26 0.933 -9.195 -2.093 1.00 0.00 C ATOM 330 CD1 PHE A 26 0.015 -9.863 -1.273 1.00 0.00 C ATOM 331 CD2 PHE A 26 0.476 -8.407 -3.157 1.00 0.00 C ATOM 332 CE1 PHE A 26 -1.358 -9.743 -1.516 1.00 0.00 C ATOM 333 CE2 PHE A 26 -0.897 -8.288 -3.399 1.00 0.00 C ATOM 334 CZ PHE A 26 -1.814 -8.956 -2.580 1.00 0.00 C ATOM 0 H PHE A 26 4.584 -9.903 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 26 2.773 -11.380 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.644 -9.065 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.976 -8.649 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.367 -10.471 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.183 -7.892 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.066 -10.257 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.249 -7.680 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.873 -8.864 -2.769 1.00 0.00 H new ATOM 344 N VAL A 27 1.819 -10.690 -4.296 1.00 0.00 N ATOM 345 CA VAL A 27 0.927 -11.104 -5.369 1.00 0.00 C ATOM 346 C VAL A 27 0.968 -12.617 -5.551 1.00 0.00 C ATOM 347 O VAL A 27 -0.073 -13.271 -5.611 1.00 0.00 O ATOM 348 CB VAL A 27 1.324 -10.392 -6.656 1.00 0.00 C ATOM 349 CG1 VAL A 27 2.666 -10.933 -7.136 1.00 0.00 C ATOM 350 CG2 VAL A 27 0.262 -10.616 -7.730 1.00 0.00 C ATOM 0 H VAL A 27 2.385 -9.869 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.096 -10.830 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 27 1.408 -9.322 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.954 -10.426 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.424 -10.757 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.581 -12.004 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.556 -10.103 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.164 -11.683 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.694 -10.222 -7.384 1.00 0.00 H new ATOM 360 N GLU A 28 2.172 -13.171 -5.602 1.00 0.00 N ATOM 361 CA GLU A 28 2.334 -14.610 -5.734 1.00 0.00 C ATOM 362 C GLU A 28 2.235 -15.221 -4.355 1.00 0.00 C ATOM 363 O GLU A 28 1.913 -16.397 -4.188 1.00 0.00 O ATOM 364 CB GLU A 28 3.698 -14.945 -6.331 1.00 0.00 C ATOM 365 CG GLU A 28 3.511 -15.772 -7.604 1.00 0.00 C ATOM 366 CD GLU A 28 2.856 -17.106 -7.267 1.00 0.00 C ATOM 367 OE1 GLU A 28 3.280 -17.726 -6.305 1.00 0.00 O ATOM 368 OE2 GLU A 28 1.939 -17.489 -7.974 1.00 0.00 O ATOM 0 H GLU A 28 3.046 -12.648 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 28 1.561 -15.004 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.242 -14.028 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.296 -15.501 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.894 -15.224 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.476 -15.942 -8.082 1.00 0.00 H new ATOM 375 N GLY A 29 2.536 -14.388 -3.373 1.00 0.00 N ATOM 376 CA GLY A 29 2.511 -14.801 -1.989 1.00 0.00 C ATOM 377 C GLY A 29 3.725 -15.665 -1.672 1.00 0.00 C ATOM 378 O GLY A 29 3.684 -16.496 -0.764 1.00 0.00 O ATOM 0 H GLY A 29 2.802 -13.414 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.501 -13.924 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.597 -15.358 -1.785 1.00 0.00 H new ATOM 382 N GLN A 30 4.799 -15.478 -2.436 1.00 0.00 N ATOM 383 CA GLN A 30 6.006 -16.269 -2.224 1.00 0.00 C ATOM 384 C GLN A 30 7.265 -15.509 -2.658 1.00 0.00 C ATOM 385 O GLN A 30 7.343 -15.004 -3.776 1.00 0.00 O ATOM 386 CB GLN A 30 5.877 -17.578 -3.007 1.00 0.00 C ATOM 387 CG GLN A 30 7.256 -18.162 -3.302 1.00 0.00 C ATOM 388 CD GLN A 30 8.095 -18.187 -2.030 1.00 0.00 C ATOM 389 OE1 GLN A 30 9.298 -17.939 -2.073 1.00 0.00 O ATOM 390 NE2 GLN A 30 7.526 -18.478 -0.891 1.00 0.00 N ATOM 0 H GLN A 30 4.858 -14.798 -3.194 1.00 0.00 H new ATOM 0 HA GLN A 30 6.109 -16.476 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.287 -18.294 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.344 -17.399 -3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.155 -19.171 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.756 -17.567 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.527 -18.683 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.080 -18.500 -0.035 1.00 0.00 H new ATOM 399 N PHE A 31 8.260 -15.472 -1.775 1.00 0.00 N ATOM 400 CA PHE A 31 9.529 -14.811 -2.070 1.00 0.00 C ATOM 401 C PHE A 31 10.261 -15.572 -3.171 1.00 0.00 C ATOM 402 O PHE A 31 10.989 -16.528 -2.897 1.00 0.00 O ATOM 403 CB PHE A 31 10.404 -14.771 -0.810 1.00 0.00 C ATOM 404 CG PHE A 31 11.861 -14.745 -1.203 1.00 0.00 C ATOM 405 CD1 PHE A 31 12.295 -13.848 -2.179 1.00 0.00 C ATOM 406 CD2 PHE A 31 12.774 -15.612 -0.590 1.00 0.00 C ATOM 407 CE1 PHE A 31 13.645 -13.812 -2.549 1.00 0.00 C ATOM 408 CE2 PHE A 31 14.124 -15.579 -0.958 1.00 0.00 C ATOM 409 CZ PHE A 31 14.560 -14.679 -1.939 1.00 0.00 C ATOM 0 H PHE A 31 8.212 -15.893 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 31 9.329 -13.792 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.162 -13.890 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.201 -15.642 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.589 -13.180 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.437 -16.306 0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.980 -13.116 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.829 -16.247 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 31 15.601 -14.654 -2.225 1.00 0.00 H new ATOM 538 N GLU A 40 7.915 -0.541 -14.547 1.00 0.00 N ATOM 539 CA GLU A 40 6.633 -0.097 -14.030 1.00 0.00 C ATOM 540 C GLU A 40 5.487 -0.824 -14.722 1.00 0.00 C ATOM 541 O GLU A 40 5.570 -1.148 -15.906 1.00 0.00 O ATOM 542 CB GLU A 40 6.484 1.410 -14.229 1.00 0.00 C ATOM 543 CG GLU A 40 7.091 1.809 -15.576 1.00 0.00 C ATOM 544 CD GLU A 40 8.588 2.052 -15.424 1.00 0.00 C ATOM 545 OE1 GLU A 40 8.948 3.062 -14.841 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.353 1.225 -15.891 1.00 0.00 O ATOM 0 HA GLU A 40 6.595 -0.327 -12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.431 1.690 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.982 1.945 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.915 1.023 -16.310 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.605 2.710 -15.950 1.00 0.00 H new ATOM 553 N ASN A 41 4.422 -1.087 -13.970 1.00 0.00 N ATOM 554 CA ASN A 41 3.269 -1.790 -14.521 1.00 0.00 C ATOM 555 C ASN A 41 2.204 -2.040 -13.460 1.00 0.00 C ATOM 556 O ASN A 41 2.400 -1.748 -12.280 1.00 0.00 O ATOM 557 CB ASN A 41 3.726 -3.130 -15.067 1.00 0.00 C ATOM 558 CG ASN A 41 3.661 -3.134 -16.590 1.00 0.00 C ATOM 559 OD1 ASN A 41 2.537 -3.429 -17.185 1.00 0.00 O flip ATOM 560 ND2 ASN A 41 4.661 -2.865 -17.257 1.00 0.00 N flip ATOM 0 H ASN A 41 4.334 -0.827 -12.988 1.00 0.00 H new ATOM 0 HA ASN A 41 2.837 -1.169 -15.306 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.745 -3.335 -14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.097 -3.926 -14.668 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.538 -2.635 -16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.612 -2.872 -18.276 1.00 0.00 H new ATOM 567 N THR A 42 1.074 -2.592 -13.901 1.00 0.00 N ATOM 568 CA THR A 42 -0.028 -2.894 -13.004 1.00 0.00 C ATOM 569 C THR A 42 -0.162 -4.398 -12.777 1.00 0.00 C ATOM 570 O THR A 42 -0.242 -5.178 -13.726 1.00 0.00 O ATOM 571 CB THR A 42 -1.334 -2.354 -13.589 1.00 0.00 C ATOM 572 OG1 THR A 42 -1.045 -1.302 -14.500 1.00 0.00 O ATOM 573 CG2 THR A 42 -2.220 -1.828 -12.464 1.00 0.00 C ATOM 0 H THR A 42 0.903 -2.837 -14.876 1.00 0.00 H new ATOM 0 HA THR A 42 0.178 -2.417 -12.046 1.00 0.00 H new ATOM 0 HB THR A 42 -1.855 -3.155 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.881 -0.957 -14.877 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.150 -1.444 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.442 -2.637 -11.768 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.701 -1.027 -11.937 1.00 0.00 H new ATOM 581 N PHE A 43 -0.195 -4.790 -11.507 1.00 0.00 N ATOM 582 CA PHE A 43 -0.333 -6.195 -11.136 1.00 0.00 C ATOM 583 C PHE A 43 -1.696 -6.437 -10.528 1.00 0.00 C ATOM 584 O PHE A 43 -2.470 -5.503 -10.334 1.00 0.00 O ATOM 585 CB PHE A 43 0.745 -6.592 -10.132 1.00 0.00 C ATOM 586 CG PHE A 43 1.885 -7.293 -10.835 1.00 0.00 C ATOM 587 CD1 PHE A 43 2.344 -6.843 -12.080 1.00 0.00 C ATOM 588 CD2 PHE A 43 2.478 -8.403 -10.234 1.00 0.00 C ATOM 589 CE1 PHE A 43 3.399 -7.506 -12.718 1.00 0.00 C ATOM 590 CE2 PHE A 43 3.533 -9.069 -10.871 1.00 0.00 C ATOM 591 CZ PHE A 43 3.993 -8.620 -12.113 1.00 0.00 C ATOM 0 H PHE A 43 -0.128 -4.152 -10.714 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.221 -6.800 -12.036 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.116 -5.706 -9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.320 -7.247 -9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.884 -5.985 -12.547 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.123 -8.750 -9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.755 -7.158 -13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.991 -9.928 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.806 -9.133 -12.605 1.00 0.00 H new ATOM 601 N THR A 44 -1.996 -7.701 -10.259 1.00 0.00 N ATOM 602 CA THR A 44 -3.280 -8.046 -9.711 1.00 0.00 C ATOM 603 C THR A 44 -3.204 -9.182 -8.704 1.00 0.00 C ATOM 604 O THR A 44 -2.236 -9.940 -8.665 1.00 0.00 O ATOM 605 CB THR A 44 -4.204 -8.450 -10.853 1.00 0.00 C ATOM 606 OG1 THR A 44 -3.507 -8.351 -12.086 1.00 0.00 O ATOM 607 CG2 THR A 44 -5.414 -7.542 -10.878 1.00 0.00 C ATOM 0 H THR A 44 -1.368 -8.490 -10.413 1.00 0.00 H new ATOM 0 HA THR A 44 -3.660 -7.172 -9.182 1.00 0.00 H new ATOM 0 HB THR A 44 -4.532 -9.479 -10.704 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.102 -8.613 -12.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.072 -7.835 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.951 -7.625 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.092 -6.511 -11.023 1.00 0.00 H new ATOM 615 N LYS A 45 -4.257 -9.290 -7.898 1.00 0.00 N ATOM 616 CA LYS A 45 -4.343 -10.333 -6.888 1.00 0.00 C ATOM 617 C LYS A 45 -5.783 -10.489 -6.404 1.00 0.00 C ATOM 618 O LYS A 45 -6.336 -9.593 -5.768 1.00 0.00 O ATOM 619 CB LYS A 45 -3.438 -9.997 -5.700 1.00 0.00 C ATOM 620 CG LYS A 45 -2.862 -11.284 -5.101 1.00 0.00 C ATOM 621 CD LYS A 45 -3.997 -12.189 -4.620 1.00 0.00 C ATOM 622 CE LYS A 45 -3.412 -13.347 -3.807 1.00 0.00 C ATOM 623 NZ LYS A 45 -1.940 -13.418 -4.029 1.00 0.00 N ATOM 0 H LYS A 45 -5.063 -8.665 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.014 -11.271 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.629 -9.342 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.004 -9.455 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.261 -11.805 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.200 -11.044 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.698 -11.619 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.556 -12.574 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.624 -13.205 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.881 -14.286 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.572 -14.306 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.741 -13.386 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.479 -12.612 -3.560 1.00 0.00 H new ATOM 637 N LEU A 46 -6.386 -11.625 -6.731 1.00 0.00 N ATOM 638 CA LEU A 46 -7.760 -11.896 -6.355 1.00 0.00 C ATOM 639 C LEU A 46 -7.818 -12.902 -5.203 1.00 0.00 C ATOM 640 O LEU A 46 -7.220 -13.974 -5.275 1.00 0.00 O ATOM 641 CB LEU A 46 -8.511 -12.477 -7.553 1.00 0.00 C ATOM 642 CG LEU A 46 -8.755 -11.375 -8.582 1.00 0.00 C ATOM 643 CD1 LEU A 46 -7.426 -10.857 -9.128 1.00 0.00 C ATOM 644 CD2 LEU A 46 -9.599 -11.925 -9.734 1.00 0.00 C ATOM 0 H LEU A 46 -5.939 -12.375 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.220 -10.961 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.934 -13.286 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.460 -12.904 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.285 -10.554 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.615 -10.072 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.829 -10.454 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.885 -11.675 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.772 -11.137 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.072 -12.753 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.555 -12.278 -9.348 1.00 0.00 H new ATOM 656 N ILE A 47 -8.543 -12.547 -4.144 1.00 0.00 N ATOM 657 CA ILE A 47 -8.671 -13.427 -2.984 1.00 0.00 C ATOM 658 C ILE A 47 -10.038 -13.253 -2.327 1.00 0.00 C ATOM 659 O ILE A 47 -10.746 -12.286 -2.604 1.00 0.00 O ATOM 660 CB ILE A 47 -7.574 -13.117 -1.964 1.00 0.00 C ATOM 661 CG1 ILE A 47 -7.231 -11.627 -2.025 1.00 0.00 C ATOM 662 CG2 ILE A 47 -6.325 -13.941 -2.285 1.00 0.00 C ATOM 663 CD1 ILE A 47 -6.267 -11.277 -0.890 1.00 0.00 C ATOM 0 H ILE A 47 -9.047 -11.664 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.569 -14.457 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.927 -13.371 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.779 -11.386 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.139 -11.030 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.545 -13.718 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.569 -15.003 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.970 -13.690 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.023 -10.216 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.736 -11.502 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.354 -11.864 -0.994 1.00 0.00 H new ATOM 675 N THR A 48 -10.399 -14.196 -1.458 1.00 0.00 N ATOM 676 CA THR A 48 -11.686 -14.141 -0.768 1.00 0.00 C ATOM 677 C THR A 48 -11.494 -14.003 0.741 1.00 0.00 C ATOM 678 O THR A 48 -10.834 -14.832 1.370 1.00 0.00 O ATOM 679 CB THR A 48 -12.489 -15.407 -1.061 1.00 0.00 C ATOM 680 OG1 THR A 48 -12.403 -15.712 -2.447 1.00 0.00 O ATOM 681 CG2 THR A 48 -13.953 -15.191 -0.673 1.00 0.00 C ATOM 0 H THR A 48 -9.823 -15.002 -1.216 1.00 0.00 H new ATOM 0 HA THR A 48 -12.227 -13.268 -1.133 1.00 0.00 H new ATOM 0 HB THR A 48 -12.082 -16.235 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.917 -16.525 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.523 -16.096 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.017 -14.961 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.364 -14.362 -1.249 1.00 0.00 H new ATOM 689 N VAL A 49 -12.087 -12.958 1.312 1.00 0.00 N ATOM 690 CA VAL A 49 -11.997 -12.715 2.748 1.00 0.00 C ATOM 691 C VAL A 49 -13.394 -12.727 3.358 1.00 0.00 C ATOM 692 O VAL A 49 -14.302 -12.067 2.856 1.00 0.00 O ATOM 693 CB VAL A 49 -11.328 -11.365 3.016 1.00 0.00 C ATOM 694 CG1 VAL A 49 -11.973 -10.286 2.143 1.00 0.00 C ATOM 695 CG2 VAL A 49 -11.503 -10.998 4.491 1.00 0.00 C ATOM 0 H VAL A 49 -12.635 -12.266 0.801 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.395 -13.502 3.203 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.267 -11.433 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.494 -9.326 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.850 -10.547 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.035 -10.215 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.028 -10.037 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.565 -10.932 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.041 -11.764 5.114 1.00 0.00 H new ATOM 705 N ASN A 50 -13.565 -13.491 4.432 1.00 0.00 N ATOM 706 CA ASN A 50 -14.868 -13.587 5.082 1.00 0.00 C ATOM 707 C ASN A 50 -15.890 -14.170 4.112 1.00 0.00 C ATOM 708 O ASN A 50 -17.097 -14.006 4.292 1.00 0.00 O ATOM 709 CB ASN A 50 -15.336 -12.206 5.548 1.00 0.00 C ATOM 710 CG ASN A 50 -14.185 -11.460 6.216 1.00 0.00 C ATOM 711 OD1 ASN A 50 -13.244 -12.135 6.820 1.00 0.00 O flip ATOM 712 ND2 ASN A 50 -14.142 -10.229 6.188 1.00 0.00 N flip ATOM 0 H ASN A 50 -12.828 -14.046 4.867 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.775 -14.241 5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.706 -11.633 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.166 -12.311 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.878 -9.704 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.371 -9.735 6.637 1.00 0.00 H new ATOM 719 N GLY A 51 -15.393 -14.841 3.077 1.00 0.00 N ATOM 720 CA GLY A 51 -16.263 -15.440 2.071 1.00 0.00 C ATOM 721 C GLY A 51 -16.602 -14.426 0.988 1.00 0.00 C ATOM 722 O GLY A 51 -17.169 -14.771 -0.049 1.00 0.00 O ATOM 0 H GLY A 51 -14.396 -14.983 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.772 -16.306 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.179 -15.799 2.541 1.00 0.00 H new ATOM 726 N GLN A 52 -16.235 -13.174 1.234 1.00 0.00 N ATOM 727 CA GLN A 52 -16.485 -12.108 0.277 1.00 0.00 C ATOM 728 C GLN A 52 -15.300 -11.986 -0.673 1.00 0.00 C ATOM 729 O GLN A 52 -14.149 -12.033 -0.244 1.00 0.00 O ATOM 730 CB GLN A 52 -16.694 -10.792 1.020 1.00 0.00 C ATOM 731 CG GLN A 52 -17.602 -9.873 0.203 1.00 0.00 C ATOM 732 CD GLN A 52 -17.273 -8.413 0.496 1.00 0.00 C ATOM 733 OE1 GLN A 52 -16.331 -7.863 -0.072 1.00 0.00 O ATOM 734 NE2 GLN A 52 -17.998 -7.750 1.355 1.00 0.00 N ATOM 0 H GLN A 52 -15.764 -12.874 2.088 1.00 0.00 H new ATOM 0 HA GLN A 52 -17.381 -12.339 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -17.138 -10.982 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -15.734 -10.307 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.475 -10.076 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.646 -10.074 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.779 -8.208 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.784 -6.773 1.557 1.00 0.00 H new ATOM 743 N GLU A 53 -15.576 -11.848 -1.964 1.00 0.00 N ATOM 744 CA GLU A 53 -14.512 -11.749 -2.941 1.00 0.00 C ATOM 745 C GLU A 53 -13.873 -10.369 -2.930 1.00 0.00 C ATOM 746 O GLU A 53 -14.527 -9.357 -2.672 1.00 0.00 O ATOM 747 CB GLU A 53 -15.068 -12.046 -4.320 1.00 0.00 C ATOM 748 CG GLU A 53 -14.526 -13.386 -4.809 1.00 0.00 C ATOM 749 CD GLU A 53 -15.129 -13.730 -6.167 1.00 0.00 C ATOM 750 OE1 GLU A 53 -16.276 -13.379 -6.389 1.00 0.00 O ATOM 751 OE2 GLU A 53 -14.436 -14.340 -6.964 1.00 0.00 O ATOM 0 H GLU A 53 -16.519 -11.803 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.742 -12.476 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.157 -12.072 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.789 -11.254 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.440 -13.342 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.763 -14.168 -4.088 1.00 0.00 H new ATOM 758 N TYR A 54 -12.583 -10.353 -3.216 1.00 0.00 N ATOM 759 CA TYR A 54 -11.810 -9.116 -3.244 1.00 0.00 C ATOM 760 C TYR A 54 -10.861 -9.119 -4.440 1.00 0.00 C ATOM 761 O TYR A 54 -10.061 -10.040 -4.604 1.00 0.00 O ATOM 762 CB TYR A 54 -10.984 -8.981 -1.961 1.00 0.00 C ATOM 763 CG TYR A 54 -11.740 -8.176 -0.929 1.00 0.00 C ATOM 764 CD1 TYR A 54 -12.842 -8.735 -0.288 1.00 0.00 C ATOM 765 CD2 TYR A 54 -11.332 -6.873 -0.610 1.00 0.00 C ATOM 766 CE1 TYR A 54 -13.545 -7.998 0.673 1.00 0.00 C ATOM 767 CE2 TYR A 54 -12.033 -6.134 0.350 1.00 0.00 C ATOM 768 CZ TYR A 54 -13.140 -6.697 0.990 1.00 0.00 C ATOM 769 OH TYR A 54 -13.834 -5.970 1.937 1.00 0.00 O ATOM 0 H TYR A 54 -12.041 -11.189 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.503 -8.279 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.754 -9.970 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.033 -8.498 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.155 -9.739 -0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.476 -6.439 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.400 -8.434 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.719 -5.130 0.596 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.534 -6.229 2.833 1.00 0.00 H new ATOM 779 N HIS A 55 -10.951 -8.083 -5.266 1.00 0.00 N ATOM 780 CA HIS A 55 -10.099 -7.966 -6.440 1.00 0.00 C ATOM 781 C HIS A 55 -9.235 -6.716 -6.321 1.00 0.00 C ATOM 782 O HIS A 55 -9.757 -5.600 -6.335 1.00 0.00 O ATOM 783 CB HIS A 55 -10.977 -7.856 -7.685 1.00 0.00 C ATOM 784 CG HIS A 55 -11.499 -9.216 -8.058 1.00 0.00 C ATOM 785 ND1 HIS A 55 -11.585 -10.250 -7.139 1.00 0.00 N ATOM 786 CD2 HIS A 55 -11.971 -9.726 -9.242 1.00 0.00 C ATOM 787 CE1 HIS A 55 -12.092 -11.320 -7.780 1.00 0.00 C ATOM 788 NE2 HIS A 55 -12.345 -11.054 -9.064 1.00 0.00 N ATOM 0 H HIS A 55 -11.607 -7.312 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.457 -8.844 -6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.808 -7.176 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.403 -7.437 -8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.041 -9.179 -10.171 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.272 -12.277 -7.313 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.730 -11.688 -9.764 1.00 0.00 H new ATOM 797 N LEU A 56 -7.919 -6.904 -6.195 1.00 0.00 N ATOM 798 CA LEU A 56 -7.011 -5.766 -6.057 1.00 0.00 C ATOM 799 C LEU A 56 -6.007 -5.693 -7.194 1.00 0.00 C ATOM 800 O LEU A 56 -5.499 -6.705 -7.671 1.00 0.00 O ATOM 801 CB LEU A 56 -6.237 -5.844 -4.747 1.00 0.00 C ATOM 802 CG LEU A 56 -7.033 -5.190 -3.620 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.392 -5.864 -3.498 1.00 0.00 C ATOM 804 CD2 LEU A 56 -6.271 -5.339 -2.303 1.00 0.00 C ATOM 0 H LEU A 56 -7.465 -7.818 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.637 -4.874 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.032 -6.886 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.273 -5.347 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.171 -4.132 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.959 -5.396 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.937 -5.757 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.255 -6.923 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.840 -4.872 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.131 -6.397 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.298 -4.854 -2.389 1.00 0.00 H new ATOM 816 N GLN A 57 -5.718 -4.465 -7.586 1.00 0.00 N ATOM 817 CA GLN A 57 -4.754 -4.186 -8.651 1.00 0.00 C ATOM 818 C GLN A 57 -3.813 -3.067 -8.220 1.00 0.00 C ATOM 819 O GLN A 57 -4.263 -1.983 -7.883 1.00 0.00 O ATOM 820 CB GLN A 57 -5.484 -3.779 -9.934 1.00 0.00 C ATOM 821 CG GLN A 57 -6.986 -4.033 -9.778 1.00 0.00 C ATOM 822 CD GLN A 57 -7.712 -3.680 -11.072 1.00 0.00 C ATOM 823 OE1 GLN A 57 -8.911 -3.168 -11.017 1.00 0.00 O flip ATOM 824 NE2 GLN A 57 -7.172 -3.876 -12.161 1.00 0.00 N flip ATOM 0 H GLN A 57 -6.141 -3.630 -7.180 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.176 -5.089 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.304 -2.725 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.096 -4.346 -10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.162 -5.079 -9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.381 -3.436 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.235 -4.276 -12.201 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.662 -3.638 -13.023 1.00 0.00 H new ATOM 833 N LEU A 58 -2.504 -3.327 -8.216 1.00 0.00 N ATOM 834 CA LEU A 58 -1.558 -2.310 -7.787 1.00 0.00 C ATOM 835 C LEU A 58 -0.636 -1.891 -8.899 1.00 0.00 C ATOM 836 O LEU A 58 -0.384 -2.647 -9.829 1.00 0.00 O ATOM 837 CB LEU A 58 -0.722 -2.789 -6.595 1.00 0.00 C ATOM 838 CG LEU A 58 -1.421 -3.924 -5.855 1.00 0.00 C ATOM 839 CD1 LEU A 58 -2.822 -3.477 -5.423 1.00 0.00 C ATOM 840 CD2 LEU A 58 -1.487 -5.199 -6.719 1.00 0.00 C ATOM 0 H LEU A 58 -2.087 -4.214 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.154 -1.449 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.255 -3.125 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.548 -1.958 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.840 -4.167 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.317 -4.292 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.741 -2.613 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.406 -3.208 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.991 -5.990 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.040 -4.990 -7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.476 -5.520 -6.971 1.00 0.00 H new ATOM 852 N VAL A 59 -0.149 -0.656 -8.791 1.00 0.00 N ATOM 853 CA VAL A 59 0.741 -0.116 -9.810 1.00 0.00 C ATOM 854 C VAL A 59 2.031 0.422 -9.239 1.00 0.00 C ATOM 855 O VAL A 59 2.073 1.007 -8.159 1.00 0.00 O ATOM 856 CB VAL A 59 0.044 1.001 -10.606 1.00 0.00 C ATOM 857 CG1 VAL A 59 0.457 2.389 -10.082 1.00 0.00 C ATOM 858 CG2 VAL A 59 0.445 0.899 -12.084 1.00 0.00 C ATOM 0 H VAL A 59 -0.353 -0.021 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 59 0.987 -0.950 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.033 0.882 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.049 3.162 -10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.177 2.480 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.536 2.509 -10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.048 1.690 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.526 1.006 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.142 -0.071 -12.477 1.00 0.00 H new ATOM 868 N ASP A 60 3.073 0.247 -10.024 1.00 0.00 N ATOM 869 CA ASP A 60 4.386 0.740 -9.672 1.00 0.00 C ATOM 870 C ASP A 60 4.873 1.632 -10.802 1.00 0.00 C ATOM 871 O ASP A 60 5.272 1.140 -11.855 1.00 0.00 O ATOM 872 CB ASP A 60 5.353 -0.430 -9.474 1.00 0.00 C ATOM 873 CG ASP A 60 6.733 -0.066 -10.014 1.00 0.00 C ATOM 874 OD1 ASP A 60 7.230 0.988 -9.651 1.00 0.00 O ATOM 875 OD2 ASP A 60 7.271 -0.847 -10.780 1.00 0.00 O ATOM 0 H ASP A 60 3.034 -0.239 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 60 4.338 1.303 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.422 -0.680 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.975 -1.315 -9.986 1.00 0.00 H new ATOM 880 N THR A 61 4.814 2.944 -10.596 1.00 0.00 N ATOM 881 CA THR A 61 5.243 3.875 -11.630 1.00 0.00 C ATOM 882 C THR A 61 6.696 4.254 -11.444 1.00 0.00 C ATOM 883 O THR A 61 7.564 3.871 -12.229 1.00 0.00 O ATOM 884 CB THR A 61 4.385 5.137 -11.593 1.00 0.00 C ATOM 885 OG1 THR A 61 3.641 5.162 -10.383 1.00 0.00 O ATOM 886 CG2 THR A 61 3.431 5.148 -12.791 1.00 0.00 C ATOM 0 H THR A 61 4.479 3.380 -9.737 1.00 0.00 H new ATOM 0 HA THR A 61 5.126 3.382 -12.595 1.00 0.00 H new ATOM 0 HB THR A 61 5.026 6.017 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.090 5.972 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.820 6.050 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.008 5.131 -13.716 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.785 4.271 -12.750 1.00 0.00 H new ATOM 1134 N ILE A 78 -7.911 4.804 -9.277 1.00 0.00 N ATOM 1135 CA ILE A 78 -7.761 3.816 -8.242 1.00 0.00 C ATOM 1136 C ILE A 78 -8.671 4.048 -7.046 1.00 0.00 C ATOM 1137 O ILE A 78 -9.575 4.881 -7.070 1.00 0.00 O ATOM 1138 CB ILE A 78 -6.325 3.822 -7.845 1.00 0.00 C ATOM 1139 CG1 ILE A 78 -5.932 5.172 -7.295 1.00 0.00 C ATOM 1140 CG2 ILE A 78 -5.448 3.516 -9.060 1.00 0.00 C ATOM 1141 CD1 ILE A 78 -4.609 5.000 -6.609 1.00 0.00 C ATOM 0 HA ILE A 78 -8.063 2.842 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.182 3.062 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.858 5.908 -8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.684 5.537 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.399 3.522 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.707 2.535 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.612 4.273 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.287 5.956 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.708 4.271 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.869 4.648 -7.328 1.00 0.00 H new ATOM 1153 N ASN A 79 -8.421 3.290 -5.996 1.00 0.00 N ATOM 1154 CA ASN A 79 -9.203 3.421 -4.780 1.00 0.00 C ATOM 1155 C ASN A 79 -8.370 2.944 -3.612 1.00 0.00 C ATOM 1156 O ASN A 79 -8.895 2.589 -2.558 1.00 0.00 O ATOM 1157 CB ASN A 79 -10.491 2.603 -4.880 1.00 0.00 C ATOM 1158 CG ASN A 79 -11.503 3.334 -5.755 1.00 0.00 C ATOM 1159 OD1 ASN A 79 -11.670 4.620 -5.611 1.00 0.00 O flip ATOM 1160 ND2 ASN A 79 -12.161 2.715 -6.593 1.00 0.00 N flip ATOM 0 H ASN A 79 -7.688 2.582 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.478 4.466 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.276 1.620 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.907 2.440 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.029 1.710 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.838 3.208 -7.176 1.00 0.00 H new ATOM 1167 N GLY A 80 -7.061 2.909 -3.826 1.00 0.00 N ATOM 1168 CA GLY A 80 -6.154 2.436 -2.796 1.00 0.00 C ATOM 1169 C GLY A 80 -4.768 3.044 -2.906 1.00 0.00 C ATOM 1170 O GLY A 80 -4.389 3.596 -3.934 1.00 0.00 O ATOM 0 H GLY A 80 -6.610 3.199 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.571 2.669 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.075 1.351 -2.859 1.00 0.00 H new ATOM 1174 N TYR A 81 -4.011 2.888 -1.836 1.00 0.00 N ATOM 1175 CA TYR A 81 -2.641 3.373 -1.792 1.00 0.00 C ATOM 1176 C TYR A 81 -1.799 2.526 -0.840 1.00 0.00 C ATOM 1177 O TYR A 81 -2.111 2.432 0.348 1.00 0.00 O ATOM 1178 CB TYR A 81 -2.604 4.835 -1.338 1.00 0.00 C ATOM 1179 CG TYR A 81 -1.729 5.664 -2.261 1.00 0.00 C ATOM 1180 CD1 TYR A 81 -0.474 5.189 -2.661 1.00 0.00 C ATOM 1181 CD2 TYR A 81 -2.168 6.919 -2.700 1.00 0.00 C ATOM 1182 CE1 TYR A 81 0.338 5.961 -3.491 1.00 0.00 C ATOM 1183 CE2 TYR A 81 -1.353 7.692 -3.540 1.00 0.00 C ATOM 1184 CZ TYR A 81 -0.099 7.212 -3.934 1.00 0.00 C ATOM 1185 OH TYR A 81 0.706 7.976 -4.755 1.00 0.00 O ATOM 0 H TYR A 81 -4.322 2.427 -0.981 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.226 3.298 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.615 5.242 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.223 4.894 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.134 4.221 -2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.134 7.292 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.307 5.591 -3.792 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.693 8.658 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 81 0.250 8.816 -4.970 1.00 0.00 H new ATOM 1195 N ILE A 82 -0.726 1.944 -1.351 1.00 0.00 N ATOM 1196 CA ILE A 82 0.170 1.142 -0.525 1.00 0.00 C ATOM 1197 C ILE A 82 1.579 1.703 -0.646 1.00 0.00 C ATOM 1198 O ILE A 82 2.271 1.508 -1.644 1.00 0.00 O ATOM 1199 CB ILE A 82 0.135 -0.316 -0.970 1.00 0.00 C ATOM 1200 CG1 ILE A 82 1.184 -1.125 -0.206 1.00 0.00 C ATOM 1201 CG2 ILE A 82 0.434 -0.373 -2.455 1.00 0.00 C ATOM 1202 CD1 ILE A 82 1.007 -2.602 -0.545 1.00 0.00 C ATOM 0 H ILE A 82 -0.452 2.010 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.151 1.184 0.516 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.849 -0.739 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.187 -0.793 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.074 -0.968 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.413 -1.410 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.317 0.200 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.421 0.050 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.750 -3.190 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.007 -2.925 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.137 -2.747 -1.617 1.00 0.00 H new ATOM 1214 N LEU A 83 1.994 2.427 0.364 1.00 0.00 N ATOM 1215 CA LEU A 83 3.304 3.039 0.334 1.00 0.00 C ATOM 1216 C LEU A 83 4.322 2.196 1.089 1.00 0.00 C ATOM 1217 O LEU A 83 4.146 1.892 2.270 1.00 0.00 O ATOM 1218 CB LEU A 83 3.222 4.438 0.937 1.00 0.00 C ATOM 1219 CG LEU A 83 1.855 5.069 0.628 1.00 0.00 C ATOM 1220 CD1 LEU A 83 0.867 4.791 1.768 1.00 0.00 C ATOM 1221 CD2 LEU A 83 2.020 6.582 0.476 1.00 0.00 C ATOM 0 H LEU A 83 1.452 2.607 1.209 1.00 0.00 H new ATOM 0 HA LEU A 83 3.634 3.107 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.372 4.387 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.019 5.063 0.534 1.00 0.00 H new ATOM 0 HG LEU A 83 1.469 4.635 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.096 5.245 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.742 3.715 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.252 5.216 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.052 7.033 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.414 7.000 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.712 6.792 -0.340 1.00 0.00 H new ATOM 1233 N VAL A 84 5.387 1.819 0.389 1.00 0.00 N ATOM 1234 CA VAL A 84 6.438 1.003 0.992 1.00 0.00 C ATOM 1235 C VAL A 84 7.572 1.896 1.500 1.00 0.00 C ATOM 1236 O VAL A 84 8.056 2.772 0.784 1.00 0.00 O ATOM 1237 CB VAL A 84 6.971 -0.008 -0.038 1.00 0.00 C ATOM 1238 CG1 VAL A 84 8.463 -0.276 0.188 1.00 0.00 C ATOM 1239 CG2 VAL A 84 6.206 -1.327 0.102 1.00 0.00 C ATOM 0 H VAL A 84 5.546 2.062 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 84 6.023 0.456 1.838 1.00 0.00 H new ATOM 0 HB VAL A 84 6.831 0.408 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.820 -0.994 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.019 0.656 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.612 -0.681 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.582 -2.045 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.346 -1.724 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.145 -1.153 -0.075 1.00 0.00 H new ATOM 1249 N TYR A 85 7.975 1.670 2.751 1.00 0.00 N ATOM 1250 CA TYR A 85 9.038 2.462 3.367 1.00 0.00 C ATOM 1251 C TYR A 85 10.293 1.634 3.590 1.00 0.00 C ATOM 1252 O TYR A 85 10.223 0.461 3.953 1.00 0.00 O ATOM 1253 CB TYR A 85 8.591 2.989 4.732 1.00 0.00 C ATOM 1254 CG TYR A 85 7.432 3.934 4.581 1.00 0.00 C ATOM 1255 CD1 TYR A 85 6.146 3.433 4.393 1.00 0.00 C ATOM 1256 CD2 TYR A 85 7.645 5.312 4.646 1.00 0.00 C ATOM 1257 CE1 TYR A 85 5.069 4.307 4.270 1.00 0.00 C ATOM 1258 CE2 TYR A 85 6.566 6.193 4.519 1.00 0.00 C ATOM 1259 CZ TYR A 85 5.275 5.689 4.332 1.00 0.00 C ATOM 1260 OH TYR A 85 4.207 6.553 4.211 1.00 0.00 O ATOM 0 H TYR A 85 7.583 0.948 3.355 1.00 0.00 H new ATOM 0 HA TYR A 85 9.252 3.284 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.306 2.155 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 85 9.421 3.499 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.984 2.366 4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.643 5.698 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.072 3.917 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.729 7.260 4.565 1.00 0.00 H new ATOM 0 HH TYR A 85 4.474 7.447 4.511 1.00 0.00 H new ATOM 1270 N SER A 86 11.442 2.274 3.418 1.00 0.00 N ATOM 1271 CA SER A 86 12.712 1.609 3.654 1.00 0.00 C ATOM 1272 C SER A 86 13.160 1.922 5.076 1.00 0.00 C ATOM 1273 O SER A 86 13.307 3.089 5.440 1.00 0.00 O ATOM 1274 CB SER A 86 13.764 2.105 2.665 1.00 0.00 C ATOM 1275 OG SER A 86 14.665 2.964 3.347 1.00 0.00 O ATOM 0 H SER A 86 11.519 3.246 3.118 1.00 0.00 H new ATOM 0 HA SER A 86 12.593 0.534 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.302 1.262 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.287 2.636 1.841 1.00 0.00 H new ATOM 0 HG SER A 86 14.159 3.613 3.879 1.00 0.00 H new ATOM 1281 N VAL A 87 13.347 0.892 5.890 1.00 0.00 N ATOM 1282 CA VAL A 87 13.742 1.104 7.273 1.00 0.00 C ATOM 1283 C VAL A 87 15.183 1.600 7.373 1.00 0.00 C ATOM 1284 O VAL A 87 15.829 1.452 8.416 1.00 0.00 O ATOM 1285 CB VAL A 87 13.581 -0.194 8.051 1.00 0.00 C ATOM 1286 CG1 VAL A 87 12.166 -0.730 7.871 1.00 0.00 C ATOM 1287 CG2 VAL A 87 14.582 -1.232 7.547 1.00 0.00 C ATOM 0 H VAL A 87 13.233 -0.085 5.621 1.00 0.00 H new ATOM 0 HA VAL A 87 13.097 1.872 7.700 1.00 0.00 H new ATOM 0 HB VAL A 87 13.765 0.002 9.107 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.055 -1.659 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.449 0.003 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.980 -0.918 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.460 -2.158 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.405 -1.424 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.596 -0.856 7.683 1.00 0.00 H new ATOM 1297 N THR A 88 15.688 2.175 6.281 1.00 0.00 N ATOM 1298 CA THR A 88 17.061 2.663 6.256 1.00 0.00 C ATOM 1299 C THR A 88 17.170 4.032 5.601 1.00 0.00 C ATOM 1300 O THR A 88 18.145 4.755 5.808 1.00 0.00 O ATOM 1301 CB THR A 88 17.920 1.683 5.456 1.00 0.00 C ATOM 1302 OG1 THR A 88 19.259 1.737 5.929 1.00 0.00 O ATOM 1303 CG2 THR A 88 17.887 2.060 3.964 1.00 0.00 C ATOM 0 H THR A 88 15.171 2.312 5.413 1.00 0.00 H new ATOM 0 HA THR A 88 17.401 2.747 7.288 1.00 0.00 H new ATOM 0 HB THR A 88 17.528 0.674 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 88 19.355 1.150 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 88 18.500 1.359 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.860 2.019 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 88 18.277 3.070 3.835 1.00 0.00 H new ATOM 1311 N SER A 89 16.199 4.350 4.758 1.00 0.00 N ATOM 1312 CA SER A 89 16.233 5.587 4.021 1.00 0.00 C ATOM 1313 C SER A 89 15.350 6.646 4.631 1.00 0.00 C ATOM 1314 O SER A 89 14.168 6.756 4.295 1.00 0.00 O ATOM 1315 CB SER A 89 15.786 5.333 2.585 1.00 0.00 C ATOM 1316 OG SER A 89 16.135 6.448 1.777 1.00 0.00 O ATOM 0 H SER A 89 15.384 3.765 4.573 1.00 0.00 H new ATOM 0 HA SER A 89 17.259 5.954 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.258 4.429 2.200 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.709 5.169 2.552 1.00 0.00 H new ATOM 0 HG SER A 89 15.850 6.285 0.854 1.00 0.00 H new ATOM 1322 N ILE A 90 15.938 7.482 5.472 1.00 0.00 N ATOM 1323 CA ILE A 90 15.186 8.578 6.033 1.00 0.00 C ATOM 1324 C ILE A 90 14.648 9.380 4.853 1.00 0.00 C ATOM 1325 O ILE A 90 13.778 10.238 4.992 1.00 0.00 O ATOM 1326 CB ILE A 90 16.092 9.431 6.925 1.00 0.00 C ATOM 1327 CG1 ILE A 90 15.296 9.986 8.119 1.00 0.00 C ATOM 1328 CG2 ILE A 90 16.713 10.579 6.121 1.00 0.00 C ATOM 1329 CD1 ILE A 90 14.098 10.817 7.646 1.00 0.00 C ATOM 0 H ILE A 90 16.911 7.421 5.772 1.00 0.00 H new ATOM 0 HA ILE A 90 14.365 8.229 6.659 1.00 0.00 H new ATOM 0 HB ILE A 90 16.896 8.800 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.948 9.162 8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.947 10.602 8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 90 17.354 11.174 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 90 17.306 10.171 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 90 15.921 11.209 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.554 11.196 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.451 11.654 7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 90 13.436 10.192 7.046 1.00 0.00 H new ATOM 1341 N LYS A 91 15.177 9.046 3.669 1.00 0.00 N ATOM 1342 CA LYS A 91 14.762 9.684 2.434 1.00 0.00 C ATOM 1343 C LYS A 91 13.430 9.110 1.969 1.00 0.00 C ATOM 1344 O LYS A 91 12.463 9.851 1.783 1.00 0.00 O ATOM 1345 CB LYS A 91 15.815 9.482 1.351 1.00 0.00 C ATOM 1346 CG LYS A 91 17.198 9.313 1.987 1.00 0.00 C ATOM 1347 CD LYS A 91 18.264 9.294 0.890 1.00 0.00 C ATOM 1348 CE LYS A 91 19.616 8.914 1.498 1.00 0.00 C ATOM 1349 NZ LYS A 91 19.572 7.499 1.963 1.00 0.00 N ATOM 0 H LYS A 91 15.896 8.333 3.551 1.00 0.00 H new ATOM 0 HA LYS A 91 14.647 10.752 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.571 8.603 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.820 10.336 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.392 10.129 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.235 8.387 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.989 8.580 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.329 10.273 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.407 9.041 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.850 9.575 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.539 7.118 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.139 7.457 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.007 6.933 1.298 1.00 0.00 H new ATOM 1363 N SER A 92 13.368 7.787 1.788 1.00 0.00 N ATOM 1364 CA SER A 92 12.122 7.165 1.354 1.00 0.00 C ATOM 1365 C SER A 92 10.974 7.647 2.233 1.00 0.00 C ATOM 1366 O SER A 92 9.825 7.724 1.797 1.00 0.00 O ATOM 1367 CB SER A 92 12.233 5.643 1.444 1.00 0.00 C ATOM 1368 OG SER A 92 12.309 5.254 2.809 1.00 0.00 O ATOM 0 H SER A 92 14.146 7.144 1.932 1.00 0.00 H new ATOM 0 HA SER A 92 11.929 7.446 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.370 5.176 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.117 5.300 0.907 1.00 0.00 H new ATOM 0 HG SER A 92 12.860 5.897 3.302 1.00 0.00 H new ATOM 1374 N PHE A 93 11.302 7.961 3.478 1.00 0.00 N ATOM 1375 CA PHE A 93 10.302 8.422 4.433 1.00 0.00 C ATOM 1376 C PHE A 93 9.884 9.866 4.168 1.00 0.00 C ATOM 1377 O PHE A 93 8.694 10.176 4.106 1.00 0.00 O ATOM 1378 CB PHE A 93 10.858 8.293 5.847 1.00 0.00 C ATOM 1379 CG PHE A 93 10.035 7.279 6.594 1.00 0.00 C ATOM 1380 CD1 PHE A 93 8.841 7.676 7.197 1.00 0.00 C ATOM 1381 CD2 PHE A 93 10.457 5.945 6.674 1.00 0.00 C ATOM 1382 CE1 PHE A 93 8.059 6.741 7.884 1.00 0.00 C ATOM 1383 CE2 PHE A 93 9.675 5.009 7.362 1.00 0.00 C ATOM 1384 CZ PHE A 93 8.475 5.407 7.967 1.00 0.00 C ATOM 0 H PHE A 93 12.250 7.906 3.851 1.00 0.00 H new ATOM 0 HA PHE A 93 9.415 7.799 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.903 7.984 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.825 9.256 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.520 8.705 7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.382 5.640 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.135 7.048 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.997 3.980 7.426 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.872 4.685 8.497 1.00 0.00 H new ATOM 1394 N GLU A 94 10.863 10.748 4.029 1.00 0.00 N ATOM 1395 CA GLU A 94 10.582 12.161 3.791 1.00 0.00 C ATOM 1396 C GLU A 94 9.887 12.379 2.445 1.00 0.00 C ATOM 1397 O GLU A 94 8.938 13.162 2.346 1.00 0.00 O ATOM 1398 CB GLU A 94 11.887 12.957 3.825 1.00 0.00 C ATOM 1399 CG GLU A 94 12.111 13.510 5.233 1.00 0.00 C ATOM 1400 CD GLU A 94 13.585 13.845 5.432 1.00 0.00 C ATOM 1401 OE1 GLU A 94 14.309 13.849 4.450 1.00 0.00 O ATOM 1402 OE2 GLU A 94 13.969 14.090 6.564 1.00 0.00 O ATOM 0 H GLU A 94 11.855 10.515 4.076 1.00 0.00 H new ATOM 0 HA GLU A 94 9.911 12.506 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.722 12.319 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.846 13.774 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.503 14.402 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.792 12.778 5.975 1.00 0.00 H new ATOM 1409 N VAL A 95 10.358 11.692 1.408 1.00 0.00 N ATOM 1410 CA VAL A 95 9.759 11.849 0.089 1.00 0.00 C ATOM 1411 C VAL A 95 8.328 11.322 0.087 1.00 0.00 C ATOM 1412 O VAL A 95 7.447 11.906 -0.542 1.00 0.00 O ATOM 1413 CB VAL A 95 10.586 11.119 -0.965 1.00 0.00 C ATOM 1414 CG1 VAL A 95 12.060 11.487 -0.803 1.00 0.00 C ATOM 1415 CG2 VAL A 95 10.416 9.623 -0.773 1.00 0.00 C ATOM 0 H VAL A 95 11.136 11.035 1.453 1.00 0.00 H new ATOM 0 HA VAL A 95 9.742 12.911 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 95 10.251 11.406 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.650 10.965 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.182 12.563 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 95 12.401 11.196 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.003 9.091 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.758 9.343 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.364 9.359 -0.882 1.00 0.00 H new ATOM 1425 N ILE A 96 8.091 10.229 0.806 1.00 0.00 N ATOM 1426 CA ILE A 96 6.748 9.674 0.876 1.00 0.00 C ATOM 1427 C ILE A 96 5.844 10.621 1.659 1.00 0.00 C ATOM 1428 O ILE A 96 4.636 10.684 1.422 1.00 0.00 O ATOM 1429 CB ILE A 96 6.778 8.302 1.550 1.00 0.00 C ATOM 1430 CG1 ILE A 96 7.300 7.260 0.556 1.00 0.00 C ATOM 1431 CG2 ILE A 96 5.361 7.922 1.989 1.00 0.00 C ATOM 1432 CD1 ILE A 96 7.592 5.943 1.282 1.00 0.00 C ATOM 0 H ILE A 96 8.797 9.720 1.338 1.00 0.00 H new ATOM 0 HA ILE A 96 6.357 9.557 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 96 7.433 8.336 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.564 7.095 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.206 7.627 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.379 6.944 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.986 8.666 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.708 7.886 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.963 5.208 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.344 6.111 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.677 5.571 1.743 1.00 0.00 H new ATOM 1444 N LYS A 97 6.443 11.370 2.582 1.00 0.00 N ATOM 1445 CA LYS A 97 5.688 12.322 3.386 1.00 0.00 C ATOM 1446 C LYS A 97 5.242 13.491 2.519 1.00 0.00 C ATOM 1447 O LYS A 97 4.220 14.126 2.787 1.00 0.00 O ATOM 1448 CB LYS A 97 6.548 12.835 4.543 1.00 0.00 C ATOM 1449 CG LYS A 97 5.679 12.996 5.791 1.00 0.00 C ATOM 1450 CD LYS A 97 6.488 13.681 6.893 1.00 0.00 C ATOM 1451 CE LYS A 97 5.641 13.773 8.165 1.00 0.00 C ATOM 1452 NZ LYS A 97 5.851 15.101 8.807 1.00 0.00 N ATOM 0 H LYS A 97 7.441 11.336 2.789 1.00 0.00 H new ATOM 0 HA LYS A 97 4.810 11.820 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.363 12.139 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.002 13.790 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.793 13.586 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.332 12.021 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.401 13.120 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.790 14.678 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.587 13.637 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.915 12.976 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.276 15.164 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.856 15.214 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.568 15.854 8.148 1.00 0.00 H new ATOM 1466 N VAL A 98 6.011 13.761 1.470 1.00 0.00 N ATOM 1467 CA VAL A 98 5.683 14.847 0.560 1.00 0.00 C ATOM 1468 C VAL A 98 4.506 14.443 -0.323 1.00 0.00 C ATOM 1469 O VAL A 98 3.414 15.005 -0.210 1.00 0.00 O ATOM 1470 CB VAL A 98 6.896 15.165 -0.299 1.00 0.00 C ATOM 1471 CG1 VAL A 98 6.473 15.962 -1.532 1.00 0.00 C ATOM 1472 CG2 VAL A 98 7.895 15.974 0.527 1.00 0.00 C ATOM 0 H VAL A 98 6.859 13.246 1.232 1.00 0.00 H new ATOM 0 HA VAL A 98 5.405 15.732 1.132 1.00 0.00 H new ATOM 0 HB VAL A 98 7.361 14.236 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.350 16.184 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.764 15.377 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.003 16.894 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.768 16.206 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.427 16.901 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.204 15.393 1.396 1.00 0.00 H new ATOM 1482 N ILE A 99 4.732 13.453 -1.183 1.00 0.00 N ATOM 1483 CA ILE A 99 3.675 12.959 -2.063 1.00 0.00 C ATOM 1484 C ILE A 99 2.355 12.903 -1.299 1.00 0.00 C ATOM 1485 O ILE A 99 1.313 13.304 -1.817 1.00 0.00 O ATOM 1486 CB ILE A 99 4.048 11.562 -2.585 1.00 0.00 C ATOM 1487 CG1 ILE A 99 4.833 11.693 -3.896 1.00 0.00 C ATOM 1488 CG2 ILE A 99 2.783 10.743 -2.849 1.00 0.00 C ATOM 1489 CD1 ILE A 99 6.130 12.466 -3.654 1.00 0.00 C ATOM 0 H ILE A 99 5.629 12.980 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 99 3.563 13.634 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 99 4.657 11.060 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.058 10.704 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.227 12.207 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.059 9.755 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.217 10.639 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.170 11.250 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.681 12.554 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.895 13.461 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.739 11.934 -2.923 1.00 0.00 H new ATOM 1501 N HIS A 100 2.404 12.420 -0.057 1.00 0.00 N ATOM 1502 CA HIS A 100 1.194 12.348 0.753 1.00 0.00 C ATOM 1503 C HIS A 100 0.585 13.736 0.886 1.00 0.00 C ATOM 1504 O HIS A 100 -0.557 13.961 0.493 1.00 0.00 O ATOM 1505 CB HIS A 100 1.505 11.794 2.149 1.00 0.00 C ATOM 1506 CG HIS A 100 0.260 11.855 2.999 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -0.398 10.713 3.434 1.00 0.00 N ATOM 1508 CD2 HIS A 100 -0.471 12.911 3.487 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -1.471 11.103 4.139 1.00 0.00 C ATOM 1510 NE2 HIS A 100 -1.564 12.433 4.204 1.00 0.00 N ATOM 0 H HIS A 100 3.250 12.080 0.400 1.00 0.00 H new ATOM 0 HA HIS A 100 0.489 11.679 0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.858 10.765 2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.304 12.372 2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.234 13.954 3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.174 10.424 4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.282 12.981 4.678 1.00 0.00 H new ATOM 1519 N GLY A 101 1.361 14.662 1.446 1.00 0.00 N ATOM 1520 CA GLY A 101 0.905 16.028 1.640 1.00 0.00 C ATOM 1521 C GLY A 101 0.028 16.495 0.494 1.00 0.00 C ATOM 1522 O GLY A 101 -1.058 17.034 0.703 1.00 0.00 O ATOM 0 H GLY A 101 2.311 14.486 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.349 16.097 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.766 16.690 1.732 1.00 0.00 H new ATOM 1526 N LYS A 102 0.513 16.279 -0.710 1.00 0.00 N ATOM 1527 CA LYS A 102 -0.225 16.677 -1.909 1.00 0.00 C ATOM 1528 C LYS A 102 -1.486 15.829 -2.063 1.00 0.00 C ATOM 1529 O LYS A 102 -2.594 16.350 -1.955 1.00 0.00 O ATOM 1530 CB LYS A 102 0.668 16.529 -3.143 1.00 0.00 C ATOM 1531 CG LYS A 102 -0.036 17.130 -4.363 1.00 0.00 C ATOM 1532 CD LYS A 102 -0.191 18.647 -4.199 1.00 0.00 C ATOM 1533 CE LYS A 102 0.080 19.333 -5.541 1.00 0.00 C ATOM 1534 NZ LYS A 102 -0.160 20.797 -5.408 1.00 0.00 N ATOM 0 H LYS A 102 1.411 15.832 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.521 17.721 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.621 17.031 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.889 15.476 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.536 16.912 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.016 16.670 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.196 18.886 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.503 19.015 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.108 19.149 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.568 18.916 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.024 21.263 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.148 20.963 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.476 21.189 -4.684 1.00 0.00 H new ATOM 1548 N LEU A 103 -1.321 14.526 -2.305 1.00 0.00 N ATOM 1549 CA LEU A 103 -2.484 13.641 -2.441 1.00 0.00 C ATOM 1550 C LEU A 103 -3.556 14.063 -1.436 1.00 0.00 C ATOM 1551 O LEU A 103 -4.667 14.436 -1.812 1.00 0.00 O ATOM 1552 CB LEU A 103 -2.071 12.184 -2.171 1.00 0.00 C ATOM 1553 CG LEU A 103 -3.072 11.194 -2.800 1.00 0.00 C ATOM 1554 CD1 LEU A 103 -4.487 11.469 -2.291 1.00 0.00 C ATOM 1555 CD2 LEU A 103 -3.056 11.321 -4.325 1.00 0.00 C ATOM 0 H LEU A 103 -0.416 14.067 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.878 13.716 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.075 12.005 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.013 12.013 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.775 10.185 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.181 10.761 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.512 11.357 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.779 12.485 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.767 10.616 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.334 12.336 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.056 11.101 -4.698 1.00 0.00 H new ATOM 1567 N LEU A 104 -3.196 14.026 -0.157 1.00 0.00 N ATOM 1568 CA LEU A 104 -4.109 14.430 0.904 1.00 0.00 C ATOM 1569 C LEU A 104 -4.818 15.724 0.512 1.00 0.00 C ATOM 1570 O LEU A 104 -6.031 15.852 0.656 1.00 0.00 O ATOM 1571 CB LEU A 104 -3.305 14.575 2.220 1.00 0.00 C ATOM 1572 CG LEU A 104 -3.457 15.960 2.851 1.00 0.00 C ATOM 1573 CD1 LEU A 104 -4.899 16.147 3.288 1.00 0.00 C ATOM 1574 CD2 LEU A 104 -2.545 16.057 4.075 1.00 0.00 C ATOM 0 H LEU A 104 -2.279 13.720 0.169 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.882 13.677 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.637 13.818 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.251 14.384 2.020 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.185 16.729 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.018 17.132 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.555 16.063 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.161 15.380 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.649 17.042 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.825 15.292 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.510 15.906 3.770 1.00 0.00 H new ATOM 1586 N ASP A 105 -4.038 16.673 0.035 1.00 0.00 N ATOM 1587 CA ASP A 105 -4.551 17.972 -0.368 1.00 0.00 C ATOM 1588 C ASP A 105 -5.583 17.838 -1.480 1.00 0.00 C ATOM 1589 O ASP A 105 -6.525 18.626 -1.567 1.00 0.00 O ATOM 1590 CB ASP A 105 -3.380 18.811 -0.855 1.00 0.00 C ATOM 1591 CG ASP A 105 -3.538 19.128 -2.338 1.00 0.00 C ATOM 1592 OD1 ASP A 105 -3.532 18.197 -3.127 1.00 0.00 O ATOM 1593 OD2 ASP A 105 -3.661 20.298 -2.664 1.00 0.00 O ATOM 0 H ASP A 105 -3.031 16.568 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 105 -5.041 18.445 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.324 19.737 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.445 18.275 -0.688 1.00 0.00 H new ATOM 1676 N GLN A 111 -12.198 8.902 3.726 1.00 0.00 N ATOM 1677 CA GLN A 111 -11.403 7.749 4.135 1.00 0.00 C ATOM 1678 C GLN A 111 -11.253 6.753 2.989 1.00 0.00 C ATOM 1679 O GLN A 111 -12.244 6.296 2.420 1.00 0.00 O ATOM 1680 CB GLN A 111 -12.057 7.061 5.329 1.00 0.00 C ATOM 1681 CG GLN A 111 -12.438 8.110 6.374 1.00 0.00 C ATOM 1682 CD GLN A 111 -12.760 7.434 7.701 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -13.914 7.095 7.963 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -11.802 7.216 8.560 1.00 0.00 N ATOM 0 HA GLN A 111 -10.412 8.104 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.943 6.514 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.372 6.332 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -11.619 8.817 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -13.300 8.682 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.847 7.498 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -12.009 6.764 9.451 1.00 0.00 H new ATOM 1693 N ILE A 112 -10.009 6.415 2.663 1.00 0.00 N ATOM 1694 CA ILE A 112 -9.738 5.463 1.590 1.00 0.00 C ATOM 1695 C ILE A 112 -8.651 4.477 2.033 1.00 0.00 C ATOM 1696 O ILE A 112 -7.827 4.817 2.870 1.00 0.00 O ATOM 1697 CB ILE A 112 -9.275 6.208 0.337 1.00 0.00 C ATOM 1698 CG1 ILE A 112 -8.730 7.582 0.736 1.00 0.00 C ATOM 1699 CG2 ILE A 112 -10.458 6.388 -0.617 1.00 0.00 C ATOM 1700 CD1 ILE A 112 -7.892 8.152 -0.410 1.00 0.00 C ATOM 0 H ILE A 112 -9.177 6.784 3.123 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.652 4.914 1.363 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.492 5.634 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.553 8.257 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -8.123 7.496 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -10.128 6.919 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.849 5.411 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.241 6.963 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.504 9.130 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.061 7.480 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.513 8.253 -1.300 1.00 0.00 H new ATOM 1712 N PRO A 113 -8.626 3.274 1.507 1.00 0.00 N ATOM 1713 CA PRO A 113 -7.590 2.264 1.890 1.00 0.00 C ATOM 1714 C PRO A 113 -6.163 2.825 1.866 1.00 0.00 C ATOM 1715 O PRO A 113 -5.592 3.041 0.792 1.00 0.00 O ATOM 1716 CB PRO A 113 -7.734 1.167 0.834 1.00 0.00 C ATOM 1717 CG PRO A 113 -9.114 1.295 0.282 1.00 0.00 C ATOM 1718 CD PRO A 113 -9.572 2.736 0.511 1.00 0.00 C ATOM 0 HA PRO A 113 -7.743 1.920 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.988 1.284 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -7.581 0.181 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.125 1.054 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.790 0.596 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.544 3.312 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -10.598 2.772 0.878 1.00 0.00 H new ATOM 1726 N ILE A 114 -5.577 3.019 3.053 1.00 0.00 N ATOM 1727 CA ILE A 114 -4.208 3.508 3.156 1.00 0.00 C ATOM 1728 C ILE A 114 -3.387 2.480 3.921 1.00 0.00 C ATOM 1729 O ILE A 114 -3.770 2.048 5.014 1.00 0.00 O ATOM 1730 CB ILE A 114 -4.160 4.866 3.867 1.00 0.00 C ATOM 1731 CG1 ILE A 114 -5.145 5.833 3.210 1.00 0.00 C ATOM 1732 CG2 ILE A 114 -2.755 5.450 3.758 1.00 0.00 C ATOM 1733 CD1 ILE A 114 -6.180 6.298 4.240 1.00 0.00 C ATOM 0 H ILE A 114 -6.032 2.844 3.949 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.797 3.648 2.156 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.426 4.725 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.610 6.692 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.645 5.345 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -2.722 6.415 4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.042 4.771 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.496 5.582 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -6.880 6.987 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -6.724 5.435 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -5.673 6.803 5.062 1.00 0.00 H new ATOM 1745 N MET A 115 -2.274 2.069 3.327 1.00 0.00 N ATOM 1746 CA MET A 115 -1.425 1.066 3.944 1.00 0.00 C ATOM 1747 C MET A 115 0.021 1.521 4.027 1.00 0.00 C ATOM 1748 O MET A 115 0.696 1.677 3.009 1.00 0.00 O ATOM 1749 CB MET A 115 -1.493 -0.226 3.135 1.00 0.00 C ATOM 1750 CG MET A 115 -1.028 -1.388 4.004 1.00 0.00 C ATOM 1751 SD MET A 115 -2.301 -1.756 5.227 1.00 0.00 S ATOM 1752 CE MET A 115 -1.338 -2.942 6.185 1.00 0.00 C ATOM 0 H MET A 115 -1.942 2.413 2.426 1.00 0.00 H new ATOM 0 HA MET A 115 -1.789 0.904 4.959 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.512 -0.400 2.790 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.865 -0.147 2.247 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.835 -2.265 3.387 1.00 0.00 H new ATOM 0 HG3 MET A 115 -0.091 -1.135 4.501 1.00 0.00 H new ATOM 0 HE1 MET A 115 -1.951 -3.339 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.018 -3.759 5.538 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.462 -2.446 6.603 1.00 0.00 H new ATOM 1762 N LEU A 116 0.499 1.702 5.249 1.00 0.00 N ATOM 1763 CA LEU A 116 1.859 2.099 5.468 1.00 0.00 C ATOM 1764 C LEU A 116 2.683 0.861 5.764 1.00 0.00 C ATOM 1765 O LEU A 116 2.676 0.350 6.879 1.00 0.00 O ATOM 1766 CB LEU A 116 1.891 3.027 6.656 1.00 0.00 C ATOM 1767 CG LEU A 116 1.173 4.334 6.309 1.00 0.00 C ATOM 1768 CD1 LEU A 116 0.891 5.062 7.597 1.00 0.00 C ATOM 1769 CD2 LEU A 116 2.046 5.230 5.427 1.00 0.00 C ATOM 0 H LEU A 116 -0.048 1.576 6.101 1.00 0.00 H new ATOM 0 HA LEU A 116 2.265 2.604 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.411 2.554 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.923 3.232 6.942 1.00 0.00 H new ATOM 0 HG LEU A 116 0.257 4.103 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.379 5.999 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.260 4.443 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.830 5.272 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.508 6.150 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.969 5.471 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.283 4.708 4.500 1.00 0.00 H new ATOM 1781 N VAL A 117 3.358 0.360 4.751 1.00 0.00 N ATOM 1782 CA VAL A 117 4.144 -0.852 4.908 1.00 0.00 C ATOM 1783 C VAL A 117 5.627 -0.584 4.954 1.00 0.00 C ATOM 1784 O VAL A 117 6.192 0.074 4.089 1.00 0.00 O ATOM 1785 CB VAL A 117 3.837 -1.816 3.771 1.00 0.00 C ATOM 1786 CG1 VAL A 117 4.490 -3.166 4.048 1.00 0.00 C ATOM 1787 CG2 VAL A 117 2.336 -1.990 3.703 1.00 0.00 C ATOM 0 H VAL A 117 3.381 0.767 3.816 1.00 0.00 H new ATOM 0 HA VAL A 117 3.864 -1.291 5.865 1.00 0.00 H new ATOM 0 HB VAL A 117 4.223 -1.425 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.267 -3.852 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.569 -3.038 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 117 4.101 -3.574 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.086 -2.678 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.973 -2.394 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.866 -1.024 3.517 1.00 0.00 H new ATOM 1797 N GLY A 118 6.252 -1.151 5.959 1.00 0.00 N ATOM 1798 CA GLY A 118 7.695 -1.023 6.118 1.00 0.00 C ATOM 1799 C GLY A 118 8.355 -2.267 5.545 1.00 0.00 C ATOM 1800 O GLY A 118 8.173 -3.359 6.069 1.00 0.00 O ATOM 0 H GLY A 118 5.792 -1.706 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.055 -0.132 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.952 -0.909 7.171 1.00 0.00 H new ATOM 1804 N ASN A 119 9.091 -2.113 4.447 1.00 0.00 N ATOM 1805 CA ASN A 119 9.711 -3.273 3.818 1.00 0.00 C ATOM 1806 C ASN A 119 11.163 -3.441 4.248 1.00 0.00 C ATOM 1807 O ASN A 119 11.698 -2.634 5.009 1.00 0.00 O ATOM 1808 CB ASN A 119 9.645 -3.151 2.293 1.00 0.00 C ATOM 1809 CG ASN A 119 10.100 -4.460 1.648 1.00 0.00 C ATOM 1810 OD1 ASN A 119 9.511 -5.512 1.899 1.00 0.00 O ATOM 1811 ND2 ASN A 119 11.120 -4.460 0.833 1.00 0.00 N ATOM 0 H ASN A 119 9.269 -1.221 3.985 1.00 0.00 H new ATOM 0 HA ASN A 119 9.154 -4.152 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 119 8.627 -2.916 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.278 -2.330 1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.430 -5.332 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.607 -3.588 0.626 1.00 0.00 H new ATOM 1818 N LYS A 120 11.784 -4.518 3.766 1.00 0.00 N ATOM 1819 CA LYS A 120 13.170 -4.816 4.118 1.00 0.00 C ATOM 1820 C LYS A 120 13.272 -4.955 5.634 1.00 0.00 C ATOM 1821 O LYS A 120 14.016 -4.235 6.295 1.00 0.00 O ATOM 1822 CB LYS A 120 14.110 -3.703 3.622 1.00 0.00 C ATOM 1823 CG LYS A 120 14.601 -4.029 2.209 1.00 0.00 C ATOM 1824 CD LYS A 120 15.451 -2.862 1.690 1.00 0.00 C ATOM 1825 CE LYS A 120 16.202 -3.275 0.421 1.00 0.00 C ATOM 1826 NZ LYS A 120 15.255 -3.301 -0.729 1.00 0.00 N ATOM 0 H LYS A 120 11.352 -5.193 3.135 1.00 0.00 H new ATOM 0 HA LYS A 120 13.472 -5.747 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.588 -2.746 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.959 -3.604 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 120 15.189 -4.947 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.753 -4.200 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.813 -2.004 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.161 -2.551 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 120 17.014 -2.575 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.654 -4.258 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.325 -4.218 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.284 -3.166 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.494 -2.537 -1.393 1.00 0.00 H new ATOM 1840 N LYS A 121 12.492 -5.880 6.179 1.00 0.00 N ATOM 1841 CA LYS A 121 12.468 -6.096 7.618 1.00 0.00 C ATOM 1842 C LYS A 121 13.839 -6.483 8.152 1.00 0.00 C ATOM 1843 O LYS A 121 14.192 -6.120 9.269 1.00 0.00 O ATOM 1844 CB LYS A 121 11.463 -7.193 7.966 1.00 0.00 C ATOM 1845 CG LYS A 121 11.132 -7.118 9.457 1.00 0.00 C ATOM 1846 CD LYS A 121 10.117 -8.205 9.809 1.00 0.00 C ATOM 1847 CE LYS A 121 10.577 -8.945 11.065 1.00 0.00 C ATOM 1848 NZ LYS A 121 9.590 -10.007 11.403 1.00 0.00 N ATOM 0 H LYS A 121 11.870 -6.490 5.648 1.00 0.00 H new ATOM 0 HA LYS A 121 12.172 -5.157 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.556 -7.073 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.876 -8.172 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.038 -7.247 10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.728 -6.136 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.135 -7.761 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.015 -8.904 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.560 -9.386 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.675 -8.247 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.902 -10.511 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.660 -9.574 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.518 -10.678 10.612 1.00 0.00 H new ATOM 1862 N ASP A 122 14.603 -7.231 7.368 1.00 0.00 N ATOM 1863 CA ASP A 122 15.922 -7.659 7.815 1.00 0.00 C ATOM 1864 C ASP A 122 16.824 -6.460 8.099 1.00 0.00 C ATOM 1865 O ASP A 122 17.871 -6.605 8.729 1.00 0.00 O ATOM 1866 CB ASP A 122 16.568 -8.581 6.782 1.00 0.00 C ATOM 1867 CG ASP A 122 16.112 -8.220 5.377 1.00 0.00 C ATOM 1868 OD1 ASP A 122 14.915 -8.234 5.136 1.00 0.00 O ATOM 1869 OD2 ASP A 122 16.967 -7.955 4.557 1.00 0.00 O ATOM 0 H ASP A 122 14.339 -7.550 6.436 1.00 0.00 H new ATOM 0 HA ASP A 122 15.796 -8.214 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.653 -8.505 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.308 -9.617 6.999 1.00 0.00 H new ATOM 1874 N LEU A 123 16.405 -5.275 7.665 1.00 0.00 N ATOM 1875 CA LEU A 123 17.182 -4.072 7.926 1.00 0.00 C ATOM 1876 C LEU A 123 16.677 -3.444 9.209 1.00 0.00 C ATOM 1877 O LEU A 123 17.447 -2.840 9.951 1.00 0.00 O ATOM 1878 CB LEU A 123 17.075 -3.077 6.765 1.00 0.00 C ATOM 1879 CG LEU A 123 18.172 -3.357 5.736 1.00 0.00 C ATOM 1880 CD1 LEU A 123 17.970 -4.750 5.161 1.00 0.00 C ATOM 1881 CD2 LEU A 123 18.088 -2.321 4.613 1.00 0.00 C ATOM 0 H LEU A 123 15.544 -5.124 7.139 1.00 0.00 H new ATOM 0 HA LEU A 123 18.234 -4.338 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.095 -3.157 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 123 17.167 -2.057 7.139 1.00 0.00 H new ATOM 0 HG LEU A 123 19.151 -3.296 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.748 -4.957 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 123 18.023 -5.486 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 123 16.993 -4.807 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 123 18.868 -2.517 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 123 17.112 -2.384 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 123 18.224 -1.322 5.028 1.00 0.00 H new ATOM 1893 N HIS A 124 15.379 -3.610 9.471 1.00 0.00 N ATOM 1894 CA HIS A 124 14.784 -3.076 10.689 1.00 0.00 C ATOM 1895 C HIS A 124 15.745 -3.239 11.860 1.00 0.00 C ATOM 1896 O HIS A 124 15.695 -2.473 12.821 1.00 0.00 O ATOM 1897 CB HIS A 124 13.473 -3.794 10.998 1.00 0.00 C ATOM 1898 CG HIS A 124 13.704 -4.902 11.993 1.00 0.00 C ATOM 1899 ND1 HIS A 124 14.593 -5.951 12.024 1.00 0.00 N flip ATOM 1900 CD2 HIS A 124 12.942 -5.024 13.145 1.00 0.00 C flip ATOM 1901 CE1 HIS A 124 14.385 -6.708 13.173 1.00 0.00 C flip ATOM 1902 NE2 HIS A 124 13.380 -6.106 13.812 1.00 0.00 N flip ATOM 0 H HIS A 124 14.729 -4.105 8.861 1.00 0.00 H new ATOM 0 HA HIS A 124 14.582 -2.016 10.537 1.00 0.00 H new ATOM 0 HB2 HIS A 124 12.747 -3.085 11.396 1.00 0.00 H new ATOM 0 HB3 HIS A 124 13.050 -4.203 10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 124 12.141 -4.368 13.451 1.00 0.00 H new ATOM 0 HE1 HIS A 124 14.922 -7.593 13.481 1.00 0.00 H new ATOM 0 HE2 HIS A 124 12.991 -6.428 14.699 1.00 0.00 H new ATOM 1911 N MET A 125 16.637 -4.228 11.768 1.00 0.00 N ATOM 1912 CA MET A 125 17.614 -4.444 12.828 1.00 0.00 C ATOM 1913 C MET A 125 18.166 -3.096 13.253 1.00 0.00 C ATOM 1914 O MET A 125 18.599 -2.906 14.389 1.00 0.00 O ATOM 1915 CB MET A 125 18.753 -5.336 12.337 1.00 0.00 C ATOM 1916 CG MET A 125 18.339 -6.805 12.438 1.00 0.00 C ATOM 1917 SD MET A 125 18.912 -7.484 14.015 1.00 0.00 S ATOM 1918 CE MET A 125 17.285 -7.915 14.682 1.00 0.00 C ATOM 0 H MET A 125 16.701 -4.879 10.985 1.00 0.00 H new ATOM 0 HA MET A 125 17.133 -4.940 13.671 1.00 0.00 H new ATOM 0 HB2 MET A 125 19.002 -5.089 11.305 1.00 0.00 H new ATOM 0 HB3 MET A 125 19.649 -5.159 12.932 1.00 0.00 H new ATOM 0 HG2 MET A 125 17.255 -6.895 12.363 1.00 0.00 H new ATOM 0 HG3 MET A 125 18.764 -7.372 11.610 1.00 0.00 H new ATOM 0 HE1 MET A 125 17.407 -8.423 15.639 1.00 0.00 H new ATOM 0 HE2 MET A 125 16.699 -7.007 14.825 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.769 -8.574 13.984 1.00 0.00 H new ATOM 1928 N GLU A 126 18.120 -2.160 12.314 1.00 0.00 N ATOM 1929 CA GLU A 126 18.582 -0.815 12.546 1.00 0.00 C ATOM 1930 C GLU A 126 17.374 0.101 12.757 1.00 0.00 C ATOM 1931 O GLU A 126 17.394 0.991 13.608 1.00 0.00 O ATOM 1932 CB GLU A 126 19.419 -0.396 11.334 1.00 0.00 C ATOM 1933 CG GLU A 126 18.714 0.678 10.506 1.00 0.00 C ATOM 1934 CD GLU A 126 19.552 1.011 9.275 1.00 0.00 C ATOM 1935 OE1 GLU A 126 19.557 0.213 8.353 1.00 0.00 O ATOM 1936 OE2 GLU A 126 20.175 2.060 9.274 1.00 0.00 O ATOM 0 H GLU A 126 17.760 -2.321 11.373 1.00 0.00 H new ATOM 0 HA GLU A 126 19.201 -0.748 13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 126 20.385 -0.020 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 126 19.616 -1.267 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 126 17.728 0.328 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 126 18.563 1.574 11.108 1.00 0.00 H new ATOM 1943 N ARG A 127 16.326 -0.141 11.965 1.00 0.00 N ATOM 1944 CA ARG A 127 15.093 0.639 12.034 1.00 0.00 C ATOM 1945 C ARG A 127 15.394 2.095 12.373 1.00 0.00 C ATOM 1946 O ARG A 127 15.128 2.559 13.482 1.00 0.00 O ATOM 1947 CB ARG A 127 14.128 0.021 13.057 1.00 0.00 C ATOM 1948 CG ARG A 127 12.814 0.812 13.091 1.00 0.00 C ATOM 1949 CD ARG A 127 11.643 -0.114 13.466 1.00 0.00 C ATOM 1950 NE ARG A 127 11.502 -1.214 12.505 1.00 0.00 N ATOM 1951 CZ ARG A 127 10.915 -1.037 11.319 1.00 0.00 C ATOM 1952 NH1 ARG A 127 10.289 0.070 11.053 1.00 0.00 N ATOM 1953 NH2 ARG A 127 10.823 -2.038 10.488 1.00 0.00 N ATOM 0 H ARG A 127 16.310 -0.880 11.262 1.00 0.00 H new ATOM 0 HA ARG A 127 14.612 0.618 11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.928 -1.019 12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.586 0.020 14.046 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.889 1.625 13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.630 1.267 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.803 -0.520 14.465 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.718 0.462 13.501 1.00 0.00 H new ATOM 0 HE ARG A 127 11.861 -2.137 12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.244 0.811 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.843 0.198 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.199 -2.951 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.375 -1.908 9.581 1.00 0.00 H new ATOM 1967 N VAL A 128 15.954 2.804 11.395 1.00 0.00 N ATOM 1968 CA VAL A 128 16.300 4.213 11.572 1.00 0.00 C ATOM 1969 C VAL A 128 15.079 5.013 11.994 1.00 0.00 C ATOM 1970 O VAL A 128 15.129 5.791 12.947 1.00 0.00 O ATOM 1971 CB VAL A 128 16.851 4.778 10.263 1.00 0.00 C ATOM 1972 CG1 VAL A 128 18.098 4.012 9.876 1.00 0.00 C ATOM 1973 CG2 VAL A 128 15.810 4.626 9.151 1.00 0.00 C ATOM 0 H VAL A 128 16.177 2.427 10.474 1.00 0.00 H new ATOM 0 HA VAL A 128 17.058 4.289 12.352 1.00 0.00 H new ATOM 0 HB VAL A 128 17.086 5.834 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.495 4.411 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 128 18.846 4.114 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 128 17.852 2.958 9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.209 5.031 8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.574 3.571 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 128 14.905 5.168 9.424 1.00 0.00 H new ATOM 1983 N ILE A 129 13.983 4.809 11.280 1.00 0.00 N ATOM 1984 CA ILE A 129 12.746 5.510 11.588 1.00 0.00 C ATOM 1985 C ILE A 129 11.975 4.725 12.642 1.00 0.00 C ATOM 1986 O ILE A 129 12.126 3.511 12.747 1.00 0.00 O ATOM 1987 CB ILE A 129 11.908 5.675 10.316 1.00 0.00 C ATOM 1988 CG1 ILE A 129 10.618 6.449 10.629 1.00 0.00 C ATOM 1989 CG2 ILE A 129 11.553 4.298 9.749 1.00 0.00 C ATOM 1990 CD1 ILE A 129 10.959 7.854 11.133 1.00 0.00 C ATOM 0 H ILE A 129 13.924 4.168 10.488 1.00 0.00 H new ATOM 0 HA ILE A 129 12.972 6.502 11.979 1.00 0.00 H new ATOM 0 HB ILE A 129 12.489 6.233 9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.998 6.515 9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.037 5.915 11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.957 4.420 8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.468 3.756 9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.981 3.737 10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 129 10.039 8.395 11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 129 11.561 7.780 12.039 1.00 0.00 H new ATOM 0 HD13 ILE A 129 11.521 8.389 10.367 1.00 0.00 H new ATOM 2002 N SER A 130 11.168 5.421 13.431 1.00 0.00 N ATOM 2003 CA SER A 130 10.409 4.757 14.485 1.00 0.00 C ATOM 2004 C SER A 130 8.978 4.487 14.063 1.00 0.00 C ATOM 2005 O SER A 130 8.239 5.394 13.680 1.00 0.00 O ATOM 2006 CB SER A 130 10.407 5.610 15.748 1.00 0.00 C ATOM 2007 OG SER A 130 9.264 6.454 15.748 1.00 0.00 O ATOM 0 H SER A 130 11.022 6.428 13.365 1.00 0.00 H new ATOM 0 HA SER A 130 10.894 3.801 14.682 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.400 4.971 16.631 1.00 0.00 H new ATOM 0 HB3 SER A 130 11.316 6.210 15.796 1.00 0.00 H new ATOM 0 HG SER A 130 9.119 6.808 14.846 1.00 0.00 H new ATOM 2013 N TYR A 131 8.590 3.226 14.172 1.00 0.00 N ATOM 2014 CA TYR A 131 7.234 2.833 13.835 1.00 0.00 C ATOM 2015 C TYR A 131 6.284 3.730 14.606 1.00 0.00 C ATOM 2016 O TYR A 131 5.323 4.238 14.058 1.00 0.00 O ATOM 2017 CB TYR A 131 7.023 1.349 14.185 1.00 0.00 C ATOM 2018 CG TYR A 131 5.573 1.040 14.518 1.00 0.00 C ATOM 2019 CD1 TYR A 131 4.514 1.664 13.842 1.00 0.00 C ATOM 2020 CD2 TYR A 131 5.299 0.116 15.525 1.00 0.00 C ATOM 2021 CE1 TYR A 131 3.191 1.361 14.182 1.00 0.00 C ATOM 2022 CE2 TYR A 131 3.978 -0.185 15.869 1.00 0.00 C ATOM 2023 CZ TYR A 131 2.922 0.439 15.200 1.00 0.00 C ATOM 2024 OH TYR A 131 1.618 0.144 15.538 1.00 0.00 O ATOM 0 H TYR A 131 9.190 2.464 14.488 1.00 0.00 H new ATOM 0 HA TYR A 131 7.045 2.946 12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 131 7.341 0.730 13.346 1.00 0.00 H new ATOM 0 HB3 TYR A 131 7.654 1.084 15.034 1.00 0.00 H new ATOM 0 HD1 TYR A 131 4.720 2.379 13.059 1.00 0.00 H new ATOM 0 HD2 TYR A 131 6.112 -0.370 16.043 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.376 1.839 13.658 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.774 -0.900 16.652 1.00 0.00 H new ATOM 0 HH TYR A 131 1.609 -0.516 16.263 1.00 0.00 H new ATOM 2034 N GLU A 132 6.593 3.954 15.872 1.00 0.00 N ATOM 2035 CA GLU A 132 5.773 4.830 16.705 1.00 0.00 C ATOM 2036 C GLU A 132 5.318 6.035 15.899 1.00 0.00 C ATOM 2037 O GLU A 132 4.125 6.218 15.661 1.00 0.00 O ATOM 2038 CB GLU A 132 6.582 5.283 17.907 1.00 0.00 C ATOM 2039 CG GLU A 132 6.921 4.073 18.767 1.00 0.00 C ATOM 2040 CD GLU A 132 8.432 3.917 18.867 1.00 0.00 C ATOM 2041 OE1 GLU A 132 9.027 3.517 17.880 1.00 0.00 O ATOM 2042 OE2 GLU A 132 8.970 4.198 19.925 1.00 0.00 O ATOM 0 H GLU A 132 7.399 3.547 16.347 1.00 0.00 H new ATOM 0 HA GLU A 132 4.893 4.285 17.047 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.496 5.779 17.579 1.00 0.00 H new ATOM 0 HB3 GLU A 132 6.016 6.010 18.489 1.00 0.00 H new ATOM 0 HG2 GLU A 132 6.492 4.191 19.762 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.481 3.174 18.335 1.00 0.00 H new ATOM 2049 N GLU A 133 6.273 6.837 15.451 1.00 0.00 N ATOM 2050 CA GLU A 133 5.939 7.993 14.642 1.00 0.00 C ATOM 2051 C GLU A 133 5.029 7.555 13.502 1.00 0.00 C ATOM 2052 O GLU A 133 4.102 8.264 13.131 1.00 0.00 O ATOM 2053 CB GLU A 133 7.207 8.628 14.081 1.00 0.00 C ATOM 2054 CG GLU A 133 8.096 9.102 15.233 1.00 0.00 C ATOM 2055 CD GLU A 133 9.557 9.102 14.798 1.00 0.00 C ATOM 2056 OE1 GLU A 133 9.989 8.108 14.237 1.00 0.00 O ATOM 2057 OE2 GLU A 133 10.224 10.097 15.031 1.00 0.00 O ATOM 0 H GLU A 133 7.269 6.710 15.632 1.00 0.00 H new ATOM 0 HA GLU A 133 5.426 8.731 15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.745 7.907 13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.950 9.469 13.436 1.00 0.00 H new ATOM 0 HG2 GLU A 133 7.800 10.104 15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 133 7.965 8.450 16.096 1.00 0.00 H new ATOM 2064 N GLY A 134 5.305 6.364 12.967 1.00 0.00 N ATOM 2065 CA GLY A 134 4.522 5.804 11.881 1.00 0.00 C ATOM 2066 C GLY A 134 3.141 5.383 12.363 1.00 0.00 C ATOM 2067 O GLY A 134 2.187 5.318 11.588 1.00 0.00 O ATOM 0 H GLY A 134 6.074 5.770 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.424 6.539 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.042 4.944 11.460 1.00 0.00 H new ATOM 2071 N LYS A 135 3.052 5.105 13.653 1.00 0.00 N ATOM 2072 CA LYS A 135 1.800 4.696 14.263 1.00 0.00 C ATOM 2073 C LYS A 135 0.890 5.900 14.376 1.00 0.00 C ATOM 2074 O LYS A 135 -0.225 5.899 13.861 1.00 0.00 O ATOM 2075 CB LYS A 135 2.058 4.113 15.653 1.00 0.00 C ATOM 2076 CG LYS A 135 0.878 3.229 16.063 1.00 0.00 C ATOM 2077 CD LYS A 135 1.092 2.713 17.488 1.00 0.00 C ATOM 2078 CE LYS A 135 -0.249 2.264 18.073 1.00 0.00 C ATOM 2079 NZ LYS A 135 -1.124 3.452 18.286 1.00 0.00 N ATOM 0 H LYS A 135 3.838 5.156 14.301 1.00 0.00 H new ATOM 0 HA LYS A 135 1.328 3.932 13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 135 2.979 3.530 15.649 1.00 0.00 H new ATOM 0 HB3 LYS A 135 2.193 4.917 16.377 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -0.051 3.796 16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 135 0.782 2.391 15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 135 1.796 1.881 17.483 1.00 0.00 H new ATOM 0 HD3 LYS A 135 1.528 3.496 18.108 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.734 1.559 17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.089 1.743 19.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -1.760 3.275 19.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.535 4.285 18.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.688 3.625 17.430 1.00 0.00 H new ATOM 2093 N ALA A 136 1.388 6.936 15.035 1.00 0.00 N ATOM 2094 CA ALA A 136 0.615 8.159 15.188 1.00 0.00 C ATOM 2095 C ALA A 136 0.163 8.650 13.818 1.00 0.00 C ATOM 2096 O ALA A 136 -0.943 9.173 13.667 1.00 0.00 O ATOM 2097 CB ALA A 136 1.466 9.234 15.865 1.00 0.00 C ATOM 0 H ALA A 136 2.312 6.955 15.467 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.258 7.955 15.808 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.880 10.146 15.976 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.781 8.883 16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.345 9.440 15.255 1.00 0.00 H new ATOM 2103 N LEU A 137 1.016 8.456 12.817 1.00 0.00 N ATOM 2104 CA LEU A 137 0.703 8.852 11.467 1.00 0.00 C ATOM 2105 C LEU A 137 -0.421 7.974 10.931 1.00 0.00 C ATOM 2106 O LEU A 137 -1.510 8.457 10.616 1.00 0.00 O ATOM 2107 CB LEU A 137 1.966 8.670 10.640 1.00 0.00 C ATOM 2108 CG LEU A 137 2.178 9.850 9.691 1.00 0.00 C ATOM 2109 CD1 LEU A 137 3.499 9.676 8.941 1.00 0.00 C ATOM 2110 CD2 LEU A 137 1.038 9.899 8.697 1.00 0.00 C ATOM 0 H LEU A 137 1.933 8.023 12.927 1.00 0.00 H new ATOM 0 HA LEU A 137 0.372 9.889 11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 137 2.827 8.572 11.302 1.00 0.00 H new ATOM 0 HB3 LEU A 137 1.899 7.746 10.066 1.00 0.00 H new ATOM 0 HG LEU A 137 2.208 10.777 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 137 3.647 10.518 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 137 4.321 9.635 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 137 3.472 8.750 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.184 10.739 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.013 8.971 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.095 10.023 9.230 1.00 0.00 H new ATOM 2122 N ALA A 138 -0.145 6.681 10.837 1.00 0.00 N ATOM 2123 CA ALA A 138 -1.135 5.735 10.346 1.00 0.00 C ATOM 2124 C ALA A 138 -2.470 5.981 11.037 1.00 0.00 C ATOM 2125 O ALA A 138 -3.530 5.839 10.431 1.00 0.00 O ATOM 2126 CB ALA A 138 -0.664 4.297 10.603 1.00 0.00 C ATOM 0 H ALA A 138 0.751 6.265 11.093 1.00 0.00 H new ATOM 0 HA ALA A 138 -1.259 5.875 9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.413 3.597 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.281 4.126 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.525 4.145 11.673 1.00 0.00 H new ATOM 2132 N GLU A 139 -2.408 6.360 12.307 1.00 0.00 N ATOM 2133 CA GLU A 139 -3.610 6.639 13.072 1.00 0.00 C ATOM 2134 C GLU A 139 -4.274 7.919 12.562 1.00 0.00 C ATOM 2135 O GLU A 139 -5.498 8.047 12.593 1.00 0.00 O ATOM 2136 CB GLU A 139 -3.250 6.753 14.564 1.00 0.00 C ATOM 2137 CG GLU A 139 -3.977 7.929 15.212 1.00 0.00 C ATOM 2138 CD GLU A 139 -3.768 7.897 16.722 1.00 0.00 C ATOM 2139 OE1 GLU A 139 -4.486 7.167 17.385 1.00 0.00 O ATOM 2140 OE2 GLU A 139 -2.890 8.602 17.193 1.00 0.00 O ATOM 0 H GLU A 139 -1.538 6.480 12.826 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.322 5.823 12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.515 5.829 15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.173 6.881 14.674 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.604 8.868 14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.041 7.882 14.982 1.00 0.00 H new ATOM 2147 N SER A 140 -3.456 8.868 12.110 1.00 0.00 N ATOM 2148 CA SER A 140 -3.975 10.138 11.614 1.00 0.00 C ATOM 2149 C SER A 140 -4.833 9.934 10.369 1.00 0.00 C ATOM 2150 O SER A 140 -5.936 10.473 10.275 1.00 0.00 O ATOM 2151 CB SER A 140 -2.819 11.072 11.287 1.00 0.00 C ATOM 2152 OG SER A 140 -3.058 12.344 11.876 1.00 0.00 O ATOM 0 H SER A 140 -2.440 8.782 12.078 1.00 0.00 H new ATOM 0 HA SER A 140 -4.598 10.578 12.393 1.00 0.00 H new ATOM 0 HB2 SER A 140 -1.884 10.656 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 140 -2.713 11.173 10.207 1.00 0.00 H new ATOM 0 HG SER A 140 -2.313 12.946 11.668 1.00 0.00 H new ATOM 2158 N TRP A 141 -4.331 9.151 9.420 1.00 0.00 N ATOM 2159 CA TRP A 141 -5.082 8.888 8.195 1.00 0.00 C ATOM 2160 C TRP A 141 -5.952 7.650 8.367 1.00 0.00 C ATOM 2161 O TRP A 141 -6.711 7.281 7.471 1.00 0.00 O ATOM 2162 CB TRP A 141 -4.135 8.662 7.013 1.00 0.00 C ATOM 2163 CG TRP A 141 -3.057 9.700 6.992 1.00 0.00 C ATOM 2164 CD1 TRP A 141 -1.733 9.432 7.058 1.00 0.00 C ATOM 2165 CD2 TRP A 141 -3.176 11.151 6.883 1.00 0.00 C ATOM 2166 NE1 TRP A 141 -1.032 10.622 6.999 1.00 0.00 N ATOM 2167 CE2 TRP A 141 -1.874 11.709 6.894 1.00 0.00 C ATOM 2168 CE3 TRP A 141 -4.271 12.031 6.780 1.00 0.00 C ATOM 2169 CZ2 TRP A 141 -1.666 13.085 6.808 1.00 0.00 C ATOM 2170 CZ3 TRP A 141 -4.063 13.417 6.693 1.00 0.00 C ATOM 2171 CH2 TRP A 141 -2.765 13.943 6.708 1.00 0.00 C ATOM 0 H TRP A 141 -3.421 8.693 9.472 1.00 0.00 H new ATOM 0 HA TRP A 141 -5.708 9.758 7.995 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -3.690 7.670 7.082 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -4.697 8.695 6.079 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -1.295 8.449 7.143 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -0.015 10.688 7.029 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -5.277 11.637 6.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -0.663 13.485 6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -4.910 14.082 6.614 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -2.613 15.010 6.642 1.00 0.00 H new ATOM 2182 N ASN A 142 -5.819 7.004 9.517 1.00 0.00 N ATOM 2183 CA ASN A 142 -6.577 5.791 9.800 1.00 0.00 C ATOM 2184 C ASN A 142 -6.024 4.640 8.968 1.00 0.00 C ATOM 2185 O ASN A 142 -6.737 3.693 8.635 1.00 0.00 O ATOM 2186 CB ASN A 142 -8.065 5.996 9.490 1.00 0.00 C ATOM 2187 CG ASN A 142 -8.908 5.493 10.657 1.00 0.00 C ATOM 2188 OD1 ASN A 142 -9.844 4.719 10.461 1.00 0.00 O ATOM 2189 ND2 ASN A 142 -8.628 5.890 11.869 1.00 0.00 N ATOM 0 H ASN A 142 -5.195 7.298 10.268 1.00 0.00 H new ATOM 0 HA ASN A 142 -6.479 5.554 10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.267 7.052 9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -8.333 5.462 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -9.186 5.558 12.656 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -7.851 6.532 12.029 1.00 0.00 H new ATOM 2196 N ALA A 143 -4.739 4.741 8.645 1.00 0.00 N ATOM 2197 CA ALA A 143 -4.061 3.724 7.859 1.00 0.00 C ATOM 2198 C ALA A 143 -3.480 2.661 8.771 1.00 0.00 C ATOM 2199 O ALA A 143 -3.396 2.855 9.984 1.00 0.00 O ATOM 2200 CB ALA A 143 -2.929 4.362 7.055 1.00 0.00 C ATOM 0 H ALA A 143 -4.145 5.524 8.919 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.783 3.267 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -2.423 3.596 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -3.339 5.120 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -2.216 4.826 7.736 1.00 0.00 H new ATOM 2206 N ALA A 144 -3.084 1.541 8.183 1.00 0.00 N ATOM 2207 CA ALA A 144 -2.510 0.450 8.972 1.00 0.00 C ATOM 2208 C ALA A 144 -1.003 0.318 8.733 1.00 0.00 C ATOM 2209 O ALA A 144 -0.544 0.233 7.594 1.00 0.00 O ATOM 2210 CB ALA A 144 -3.224 -0.848 8.634 1.00 0.00 C ATOM 0 H ALA A 144 -3.146 1.361 7.181 1.00 0.00 H new ATOM 0 HA ALA A 144 -2.650 0.675 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -2.797 -1.661 9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -4.285 -0.751 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -3.103 -1.064 7.573 1.00 0.00 H new ATOM 2216 N PHE A 145 -0.246 0.337 9.829 1.00 0.00 N ATOM 2217 CA PHE A 145 1.212 0.259 9.781 1.00 0.00 C ATOM 2218 C PHE A 145 1.717 -1.164 10.050 1.00 0.00 C ATOM 2219 O PHE A 145 1.423 -1.741 11.096 1.00 0.00 O ATOM 2220 CB PHE A 145 1.741 1.228 10.839 1.00 0.00 C ATOM 2221 CG PHE A 145 3.249 1.225 10.913 1.00 0.00 C ATOM 2222 CD1 PHE A 145 3.946 0.149 11.484 1.00 0.00 C ATOM 2223 CD2 PHE A 145 3.950 2.334 10.433 1.00 0.00 C ATOM 2224 CE1 PHE A 145 5.343 0.184 11.560 1.00 0.00 C ATOM 2225 CE2 PHE A 145 5.346 2.372 10.511 1.00 0.00 C ATOM 2226 CZ PHE A 145 6.044 1.296 11.072 1.00 0.00 C ATOM 0 H PHE A 145 -0.626 0.407 10.773 1.00 0.00 H new ATOM 0 HA PHE A 145 1.569 0.525 8.786 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.392 2.236 10.613 1.00 0.00 H new ATOM 0 HB3 PHE A 145 1.331 0.960 11.813 1.00 0.00 H new ATOM 0 HD1 PHE A 145 3.405 -0.705 11.864 1.00 0.00 H new ATOM 0 HD2 PHE A 145 3.412 3.165 10.000 1.00 0.00 H new ATOM 0 HE1 PHE A 145 5.881 -0.645 11.995 1.00 0.00 H new ATOM 0 HE2 PHE A 145 5.885 3.231 10.139 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.122 1.322 11.129 1.00 0.00 H new ATOM 2236 N LEU A 146 2.470 -1.725 9.094 1.00 0.00 N ATOM 2237 CA LEU A 146 2.994 -3.065 9.223 1.00 0.00 C ATOM 2238 C LEU A 146 4.390 -3.194 8.608 1.00 0.00 C ATOM 2239 O LEU A 146 4.613 -2.792 7.470 1.00 0.00 O ATOM 2240 CB LEU A 146 2.026 -4.004 8.539 1.00 0.00 C ATOM 2241 CG LEU A 146 0.987 -4.500 9.547 1.00 0.00 C ATOM 2242 CD1 LEU A 146 -0.394 -4.264 8.995 1.00 0.00 C ATOM 2243 CD2 LEU A 146 1.239 -5.961 9.782 1.00 0.00 C ATOM 0 H LEU A 146 2.723 -1.257 8.224 1.00 0.00 H new ATOM 0 HA LEU A 146 3.096 -3.314 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 146 1.531 -3.493 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 146 2.565 -4.850 8.112 1.00 0.00 H new ATOM 0 HG LEU A 146 1.063 -3.964 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -1.137 -4.616 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -0.538 -3.198 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -0.508 -4.807 8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.512 -6.345 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.142 -6.503 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.245 -6.098 10.178 1.00 0.00 H new ATOM 2255 N GLU A 147 5.322 -3.784 9.356 1.00 0.00 N ATOM 2256 CA GLU A 147 6.682 -3.983 8.853 1.00 0.00 C ATOM 2257 C GLU A 147 6.849 -5.423 8.378 1.00 0.00 C ATOM 2258 O GLU A 147 6.686 -6.368 9.150 1.00 0.00 O ATOM 2259 CB GLU A 147 7.718 -3.695 9.949 1.00 0.00 C ATOM 2260 CG GLU A 147 7.245 -2.546 10.845 1.00 0.00 C ATOM 2261 CD GLU A 147 8.352 -2.182 11.838 1.00 0.00 C ATOM 2262 OE1 GLU A 147 9.144 -3.061 12.158 1.00 0.00 O ATOM 2263 OE2 GLU A 147 8.401 -1.028 12.259 1.00 0.00 O ATOM 0 H GLU A 147 5.164 -4.129 10.303 1.00 0.00 H new ATOM 0 HA GLU A 147 6.843 -3.294 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 147 7.879 -4.590 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.675 -3.440 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 147 6.988 -1.679 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 147 6.342 -2.838 11.382 1.00 0.00 H new ATOM 2270 N SER A 148 7.164 -5.576 7.098 1.00 0.00 N ATOM 2271 CA SER A 148 7.343 -6.897 6.510 1.00 0.00 C ATOM 2272 C SER A 148 8.602 -6.939 5.649 1.00 0.00 C ATOM 2273 O SER A 148 9.324 -5.950 5.548 1.00 0.00 O ATOM 2274 CB SER A 148 6.127 -7.240 5.647 1.00 0.00 C ATOM 2275 OG SER A 148 5.582 -6.040 5.113 1.00 0.00 O ATOM 0 H SER A 148 7.301 -4.802 6.448 1.00 0.00 H new ATOM 0 HA SER A 148 7.446 -7.625 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 148 6.416 -7.913 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 148 5.378 -7.761 6.243 1.00 0.00 H new ATOM 0 HG SER A 148 5.457 -6.139 4.146 1.00 0.00 H new ATOM 2281 N SER A 149 8.866 -8.092 5.036 1.00 0.00 N ATOM 2282 CA SER A 149 10.051 -8.238 4.187 1.00 0.00 C ATOM 2283 C SER A 149 9.713 -8.992 2.901 1.00 0.00 C ATOM 2284 O SER A 149 8.995 -9.990 2.933 1.00 0.00 O ATOM 2285 CB SER A 149 11.144 -8.993 4.945 1.00 0.00 C ATOM 2286 OG SER A 149 10.568 -9.654 6.066 1.00 0.00 O ATOM 0 H SER A 149 8.286 -8.928 5.108 1.00 0.00 H new ATOM 0 HA SER A 149 10.405 -7.241 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 149 11.624 -9.718 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 149 11.918 -8.301 5.275 1.00 0.00 H new ATOM 0 HG SER A 149 11.268 -10.127 6.562 1.00 0.00 H new ATOM 2292 N ALA A 150 10.249 -8.523 1.769 1.00 0.00 N ATOM 2293 CA ALA A 150 10.004 -9.179 0.498 1.00 0.00 C ATOM 2294 C ALA A 150 10.508 -10.611 0.563 1.00 0.00 C ATOM 2295 O ALA A 150 9.820 -11.550 0.160 1.00 0.00 O ATOM 2296 CB ALA A 150 10.729 -8.428 -0.616 1.00 0.00 C ATOM 0 H ALA A 150 10.848 -7.699 1.715 1.00 0.00 H new ATOM 0 HA ALA A 150 8.934 -9.181 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 150 10.543 -8.923 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 150 10.362 -7.403 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 150 11.800 -8.422 -0.413 1.00 0.00 H new ATOM 2302 N LYS A 151 11.717 -10.768 1.088 1.00 0.00 N ATOM 2303 CA LYS A 151 12.312 -12.092 1.220 1.00 0.00 C ATOM 2304 C LYS A 151 11.567 -12.907 2.278 1.00 0.00 C ATOM 2305 O LYS A 151 12.031 -13.965 2.702 1.00 0.00 O ATOM 2306 CB LYS A 151 13.786 -11.964 1.608 1.00 0.00 C ATOM 2307 CG LYS A 151 14.538 -13.229 1.190 1.00 0.00 C ATOM 2308 CD LYS A 151 15.713 -13.463 2.143 1.00 0.00 C ATOM 2309 CE LYS A 151 15.236 -14.269 3.352 1.00 0.00 C ATOM 2310 NZ LYS A 151 15.196 -15.716 2.998 1.00 0.00 N ATOM 0 H LYS A 151 12.300 -10.003 1.426 1.00 0.00 H new ATOM 0 HA LYS A 151 12.235 -12.606 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 151 14.225 -11.091 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 151 13.878 -11.813 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 151 13.866 -14.087 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 151 14.900 -13.128 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 151 16.512 -13.997 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 151 16.126 -12.509 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 151 15.906 -14.108 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 151 14.247 -13.931 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 14.547 -16.213 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 14.864 -15.825 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 16.149 -16.122 3.087 1.00 0.00 H new ATOM 2324 N GLU A 152 10.408 -12.403 2.698 1.00 0.00 N ATOM 2325 CA GLU A 152 9.598 -13.082 3.705 1.00 0.00 C ATOM 2326 C GLU A 152 8.118 -13.035 3.314 1.00 0.00 C ATOM 2327 O GLU A 152 7.536 -11.959 3.187 1.00 0.00 O ATOM 2328 CB GLU A 152 9.801 -12.406 5.062 1.00 0.00 C ATOM 2329 CG GLU A 152 9.998 -13.470 6.144 1.00 0.00 C ATOM 2330 CD GLU A 152 10.099 -12.809 7.514 1.00 0.00 C ATOM 2331 OE1 GLU A 152 11.045 -12.067 7.723 1.00 0.00 O ATOM 2332 OE2 GLU A 152 9.230 -13.054 8.335 1.00 0.00 O ATOM 0 H GLU A 152 10.010 -11.528 2.357 1.00 0.00 H new ATOM 0 HA GLU A 152 9.908 -14.125 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 152 10.668 -11.747 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 152 8.938 -11.785 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 152 9.165 -14.172 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 152 10.902 -14.044 5.941 1.00 0.00 H new ATOM 2339 N ASN A 153 7.527 -14.209 3.100 1.00 0.00 N ATOM 2340 CA ASN A 153 6.121 -14.295 2.694 1.00 0.00 C ATOM 2341 C ASN A 153 5.165 -14.073 3.862 1.00 0.00 C ATOM 2342 O ASN A 153 4.303 -13.196 3.799 1.00 0.00 O ATOM 2343 CB ASN A 153 5.848 -15.663 2.068 1.00 0.00 C ATOM 2344 CG ASN A 153 4.382 -15.764 1.659 1.00 0.00 C ATOM 2345 OD1 ASN A 153 3.843 -14.803 0.961 1.00 0.00 O flip ATOM 2346 ND2 ASN A 153 3.711 -16.744 1.985 1.00 0.00 N flip ATOM 0 H ASN A 153 7.994 -15.110 3.200 1.00 0.00 H new ATOM 0 HA ASN A 153 5.944 -13.502 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 153 6.488 -15.809 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 153 6.092 -16.453 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 153 4.135 -17.494 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.731 -16.806 1.709 1.00 0.00 H new ATOM 2353 N GLN A 154 5.305 -14.881 4.908 1.00 0.00 N ATOM 2354 CA GLN A 154 4.429 -14.772 6.075 1.00 0.00 C ATOM 2355 C GLN A 154 4.080 -13.321 6.368 1.00 0.00 C ATOM 2356 O GLN A 154 2.910 -12.939 6.378 1.00 0.00 O ATOM 2357 CB GLN A 154 5.110 -15.382 7.298 1.00 0.00 C ATOM 2358 CG GLN A 154 6.621 -15.362 7.093 1.00 0.00 C ATOM 2359 CD GLN A 154 7.336 -15.464 8.436 1.00 0.00 C ATOM 2360 OE1 GLN A 154 8.557 -15.319 8.502 1.00 0.00 O ATOM 2361 NE2 GLN A 154 6.646 -15.708 9.516 1.00 0.00 N ATOM 0 H GLN A 154 6.011 -15.614 4.974 1.00 0.00 H new ATOM 0 HA GLN A 154 3.509 -15.314 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 154 4.845 -14.821 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 154 4.765 -16.405 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 154 6.919 -16.190 6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 154 6.914 -14.443 6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 154 5.635 -15.828 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 154 7.118 -15.779 10.417 1.00 0.00 H new ATOM 2370 N THR A 155 5.104 -12.522 6.610 1.00 0.00 N ATOM 2371 CA THR A 155 4.907 -11.109 6.908 1.00 0.00 C ATOM 2372 C THR A 155 4.042 -10.443 5.838 1.00 0.00 C ATOM 2373 O THR A 155 3.028 -9.821 6.151 1.00 0.00 O ATOM 2374 CB THR A 155 6.253 -10.386 6.985 1.00 0.00 C ATOM 2375 OG1 THR A 155 6.683 -10.048 5.677 1.00 0.00 O ATOM 2376 CG2 THR A 155 7.302 -11.276 7.651 1.00 0.00 C ATOM 0 H THR A 155 6.078 -12.823 6.607 1.00 0.00 H new ATOM 0 HA THR A 155 4.401 -11.040 7.871 1.00 0.00 H new ATOM 0 HB THR A 155 6.131 -9.481 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 155 7.025 -10.849 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 155 8.253 -10.745 7.697 1.00 0.00 H new ATOM 0 HG22 THR A 155 6.978 -11.528 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 155 7.425 -12.191 7.071 1.00 0.00 H new ATOM 2384 N ALA A 156 4.443 -10.579 4.576 1.00 0.00 N ATOM 2385 CA ALA A 156 3.690 -9.985 3.475 1.00 0.00 C ATOM 2386 C ALA A 156 2.216 -10.299 3.623 1.00 0.00 C ATOM 2387 O ALA A 156 1.373 -9.407 3.720 1.00 0.00 O ATOM 2388 CB ALA A 156 4.178 -10.551 2.143 1.00 0.00 C ATOM 0 H ALA A 156 5.278 -11.091 4.292 1.00 0.00 H new ATOM 0 HA ALA A 156 3.841 -8.906 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 156 3.611 -10.102 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 156 5.237 -10.324 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 156 4.035 -11.632 2.133 1.00 0.00 H new ATOM 2394 N VAL A 157 1.924 -11.586 3.634 1.00 0.00 N ATOM 2395 CA VAL A 157 0.552 -12.059 3.763 1.00 0.00 C ATOM 2396 C VAL A 157 -0.159 -11.356 4.915 1.00 0.00 C ATOM 2397 O VAL A 157 -1.318 -10.958 4.794 1.00 0.00 O ATOM 2398 CB VAL A 157 0.548 -13.568 4.006 1.00 0.00 C ATOM 2399 CG1 VAL A 157 -0.894 -14.075 4.069 1.00 0.00 C ATOM 2400 CG2 VAL A 157 1.282 -14.266 2.862 1.00 0.00 C ATOM 0 H VAL A 157 2.619 -12.328 3.555 1.00 0.00 H new ATOM 0 HA VAL A 157 0.022 -11.833 2.838 1.00 0.00 H new ATOM 0 HB VAL A 157 1.049 -13.785 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -0.894 -15.151 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.420 -13.576 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -1.397 -13.859 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.281 -15.343 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 157 0.779 -14.047 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 157 2.310 -13.907 2.817 1.00 0.00 H new ATOM 2410 N ASP A 158 0.543 -11.210 6.030 1.00 0.00 N ATOM 2411 CA ASP A 158 -0.035 -10.557 7.199 1.00 0.00 C ATOM 2412 C ASP A 158 -0.431 -9.123 6.869 1.00 0.00 C ATOM 2413 O ASP A 158 -1.478 -8.639 7.301 1.00 0.00 O ATOM 2414 CB ASP A 158 0.977 -10.558 8.348 1.00 0.00 C ATOM 2415 CG ASP A 158 0.252 -10.703 9.682 1.00 0.00 C ATOM 2416 OD1 ASP A 158 -0.799 -10.101 9.832 1.00 0.00 O ATOM 2417 OD2 ASP A 158 0.761 -11.411 10.536 1.00 0.00 O ATOM 0 H ASP A 158 1.504 -11.531 6.151 1.00 0.00 H new ATOM 0 HA ASP A 158 -0.927 -11.108 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 158 1.685 -11.376 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 158 1.553 -9.633 8.337 1.00 0.00 H new ATOM 2422 N VAL A 159 0.424 -8.446 6.113 1.00 0.00 N ATOM 2423 CA VAL A 159 0.188 -7.073 5.737 1.00 0.00 C ATOM 2424 C VAL A 159 -1.080 -6.941 4.889 1.00 0.00 C ATOM 2425 O VAL A 159 -1.904 -6.051 5.113 1.00 0.00 O ATOM 2426 CB VAL A 159 1.399 -6.556 4.950 1.00 0.00 C ATOM 2427 CG1 VAL A 159 1.281 -5.055 4.784 1.00 0.00 C ATOM 2428 CG2 VAL A 159 2.703 -6.850 5.704 1.00 0.00 C ATOM 0 H VAL A 159 1.293 -8.837 5.749 1.00 0.00 H new ATOM 0 HA VAL A 159 0.048 -6.481 6.641 1.00 0.00 H new ATOM 0 HB VAL A 159 1.418 -7.056 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 159 2.139 -4.682 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 159 0.365 -4.820 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 159 1.253 -4.581 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 159 3.549 -6.475 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 159 2.680 -6.358 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 159 2.808 -7.926 5.844 1.00 0.00 H new ATOM 2438 N PHE A 160 -1.216 -7.820 3.905 1.00 0.00 N ATOM 2439 CA PHE A 160 -2.368 -7.794 3.006 1.00 0.00 C ATOM 2440 C PHE A 160 -3.667 -8.185 3.713 1.00 0.00 C ATOM 2441 O PHE A 160 -4.756 -7.821 3.275 1.00 0.00 O ATOM 2442 CB PHE A 160 -2.116 -8.702 1.805 1.00 0.00 C ATOM 2443 CG PHE A 160 -1.430 -7.889 0.734 1.00 0.00 C ATOM 2444 CD1 PHE A 160 -0.034 -7.788 0.718 1.00 0.00 C ATOM 2445 CD2 PHE A 160 -2.191 -7.219 -0.231 1.00 0.00 C ATOM 2446 CE1 PHE A 160 0.601 -7.018 -0.263 1.00 0.00 C ATOM 2447 CE2 PHE A 160 -1.556 -6.451 -1.214 1.00 0.00 C ATOM 2448 CZ PHE A 160 -0.160 -6.350 -1.230 1.00 0.00 C ATOM 0 H PHE A 160 -0.544 -8.561 3.707 1.00 0.00 H new ATOM 0 HA PHE A 160 -2.491 -6.767 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.496 -9.551 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -3.056 -9.107 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 160 0.553 -8.304 1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -3.268 -7.295 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 160 1.678 -6.939 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.143 -5.936 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 160 0.330 -5.757 -1.988 1.00 0.00 H new ATOM 2458 N ARG A 161 -3.581 -8.930 4.797 1.00 0.00 N ATOM 2459 CA ARG A 161 -4.804 -9.308 5.492 1.00 0.00 C ATOM 2460 C ARG A 161 -5.321 -8.134 6.313 1.00 0.00 C ATOM 2461 O ARG A 161 -6.526 -7.868 6.352 1.00 0.00 O ATOM 2462 CB ARG A 161 -4.566 -10.517 6.392 1.00 0.00 C ATOM 2463 CG ARG A 161 -5.832 -10.801 7.204 1.00 0.00 C ATOM 2464 CD ARG A 161 -6.016 -12.313 7.353 1.00 0.00 C ATOM 2465 NE ARG A 161 -6.491 -12.892 6.100 1.00 0.00 N ATOM 2466 CZ ARG A 161 -7.789 -12.975 5.823 1.00 0.00 C ATOM 2467 NH1 ARG A 161 -8.672 -12.524 6.672 1.00 0.00 N ATOM 2468 NH2 ARG A 161 -8.182 -13.506 4.697 1.00 0.00 N ATOM 0 H ARG A 161 -2.714 -9.277 5.207 1.00 0.00 H new ATOM 0 HA ARG A 161 -5.553 -9.580 4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -4.304 -11.387 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -3.726 -10.327 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -5.759 -10.335 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -6.700 -10.366 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -5.071 -12.775 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -6.728 -12.523 8.151 1.00 0.00 H new ATOM 0 HE ARG A 161 -5.813 -13.240 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -8.367 -12.106 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -9.667 -12.589 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -7.494 -13.857 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -9.177 -13.570 4.483 1.00 0.00 H new ATOM 2482 N ARG A 162 -4.405 -7.429 6.959 1.00 0.00 N ATOM 2483 CA ARG A 162 -4.771 -6.283 7.771 1.00 0.00 C ATOM 2484 C ARG A 162 -5.341 -5.162 6.908 1.00 0.00 C ATOM 2485 O ARG A 162 -6.229 -4.433 7.349 1.00 0.00 O ATOM 2486 CB ARG A 162 -3.549 -5.770 8.534 1.00 0.00 C ATOM 2487 CG ARG A 162 -3.513 -6.403 9.928 1.00 0.00 C ATOM 2488 CD ARG A 162 -4.479 -5.666 10.861 1.00 0.00 C ATOM 2489 NE ARG A 162 -3.748 -4.736 11.713 1.00 0.00 N ATOM 2490 CZ ARG A 162 -3.212 -5.131 12.865 1.00 0.00 C ATOM 2491 NH1 ARG A 162 -3.326 -6.374 13.247 1.00 0.00 N ATOM 2492 NH2 ARG A 162 -2.568 -4.276 13.612 1.00 0.00 N ATOM 0 H ARG A 162 -3.405 -7.631 6.936 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.537 -6.600 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.638 -6.015 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -3.589 -4.684 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.786 -7.456 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.501 -6.360 10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.221 -5.125 10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.021 -6.385 11.476 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.645 -3.764 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.826 -7.043 12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.915 -6.676 14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -2.476 -3.305 13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.157 -4.579 14.495 1.00 0.00 H new ATOM 2506 N ILE A 163 -4.839 -5.014 5.679 1.00 0.00 N ATOM 2507 CA ILE A 163 -5.354 -3.953 4.818 1.00 0.00 C ATOM 2508 C ILE A 163 -6.785 -4.256 4.399 1.00 0.00 C ATOM 2509 O ILE A 163 -7.658 -3.415 4.562 1.00 0.00 O ATOM 2510 CB ILE A 163 -4.466 -3.712 3.590 1.00 0.00 C ATOM 2511 CG1 ILE A 163 -4.795 -2.336 3.000 1.00 0.00 C ATOM 2512 CG2 ILE A 163 -4.735 -4.769 2.531 1.00 0.00 C ATOM 2513 CD1 ILE A 163 -4.146 -2.190 1.620 1.00 0.00 C ATOM 0 H ILE A 163 -4.104 -5.592 5.271 1.00 0.00 H new ATOM 0 HA ILE A 163 -5.343 -3.032 5.400 1.00 0.00 H new ATOM 0 HB ILE A 163 -3.420 -3.761 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -5.875 -2.215 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -4.436 -1.551 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.099 -4.587 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.518 -5.756 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -5.781 -4.723 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -4.385 -1.210 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -3.065 -2.291 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -4.526 -2.966 0.955 1.00 0.00 H new ATOM 2525 N ILE A 164 -7.044 -5.463 3.888 1.00 0.00 N ATOM 2526 CA ILE A 164 -8.409 -5.805 3.503 1.00 0.00 C ATOM 2527 C ILE A 164 -9.349 -5.496 4.663 1.00 0.00 C ATOM 2528 O ILE A 164 -10.487 -5.061 4.471 1.00 0.00 O ATOM 2529 CB ILE A 164 -8.509 -7.270 3.128 1.00 0.00 C ATOM 2530 CG1 ILE A 164 -7.607 -7.523 1.920 1.00 0.00 C ATOM 2531 CG2 ILE A 164 -9.954 -7.591 2.747 1.00 0.00 C ATOM 2532 CD1 ILE A 164 -7.495 -9.023 1.688 1.00 0.00 C ATOM 0 H ILE A 164 -6.350 -6.195 3.736 1.00 0.00 H new ATOM 0 HA ILE A 164 -8.692 -5.212 2.633 1.00 0.00 H new ATOM 0 HB ILE A 164 -8.203 -7.896 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -8.017 -7.035 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -6.620 -7.094 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.034 -8.644 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.608 -7.384 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -10.252 -6.974 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -6.853 -9.211 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -7.066 -9.497 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -8.485 -9.437 1.499 1.00 0.00 H new ATOM 2544 N LEU A 165 -8.854 -5.723 5.871 1.00 0.00 N ATOM 2545 CA LEU A 165 -9.636 -5.472 7.073 1.00 0.00 C ATOM 2546 C LEU A 165 -9.996 -3.991 7.188 1.00 0.00 C ATOM 2547 O LEU A 165 -11.178 -3.625 7.198 1.00 0.00 O ATOM 2548 CB LEU A 165 -8.821 -5.925 8.293 1.00 0.00 C ATOM 2549 CG LEU A 165 -9.534 -7.063 9.025 1.00 0.00 C ATOM 2550 CD1 LEU A 165 -10.888 -6.580 9.514 1.00 0.00 C ATOM 2551 CD2 LEU A 165 -9.710 -8.247 8.073 1.00 0.00 C ATOM 0 H LEU A 165 -7.915 -6.080 6.045 1.00 0.00 H new ATOM 0 HA LEU A 165 -10.569 -6.034 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -7.832 -6.254 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -8.674 -5.085 8.971 1.00 0.00 H new ATOM 0 HG LEU A 165 -8.939 -7.380 9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -11.397 -7.391 10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -10.750 -5.740 10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -11.490 -6.262 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -10.218 -9.059 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -10.305 -7.938 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.732 -8.589 7.733 1.00 0.00 H new ATOM 2563 N GLU A 166 -8.984 -3.136 7.264 1.00 0.00 N ATOM 2564 CA GLU A 166 -9.235 -1.708 7.364 1.00 0.00 C ATOM 2565 C GLU A 166 -9.990 -1.234 6.136 1.00 0.00 C ATOM 2566 O GLU A 166 -10.742 -0.262 6.191 1.00 0.00 O ATOM 2567 CB GLU A 166 -7.920 -0.939 7.508 1.00 0.00 C ATOM 2568 CG GLU A 166 -8.195 0.437 8.120 1.00 0.00 C ATOM 2569 CD GLU A 166 -8.557 0.291 9.594 1.00 0.00 C ATOM 2570 OE1 GLU A 166 -7.655 0.068 10.385 1.00 0.00 O ATOM 2571 OE2 GLU A 166 -9.730 0.404 9.910 1.00 0.00 O ATOM 0 H GLU A 166 -7.999 -3.402 7.258 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.840 -1.518 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -7.228 -1.497 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -7.444 -0.827 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -7.316 1.073 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -9.009 0.926 7.584 1.00 0.00 H new ATOM 2578 N ALA A 167 -9.807 -1.947 5.035 1.00 0.00 N ATOM 2579 CA ALA A 167 -10.499 -1.612 3.808 1.00 0.00 C ATOM 2580 C ALA A 167 -11.992 -1.735 4.044 1.00 0.00 C ATOM 2581 O ALA A 167 -12.793 -0.990 3.483 1.00 0.00 O ATOM 2582 CB ALA A 167 -10.078 -2.566 2.689 1.00 0.00 C ATOM 0 H ALA A 167 -9.189 -2.755 4.970 1.00 0.00 H new ATOM 0 HA ALA A 167 -10.247 -0.593 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -10.604 -2.305 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -9.003 -2.485 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -10.326 -3.589 2.971 1.00 0.00 H new ATOM 2588 N GLU A 168 -12.349 -2.686 4.899 1.00 0.00 N ATOM 2589 CA GLU A 168 -13.748 -2.917 5.235 1.00 0.00 C ATOM 2590 C GLU A 168 -14.297 -1.755 6.052 1.00 0.00 C ATOM 2591 O GLU A 168 -15.356 -1.207 5.745 1.00 0.00 O ATOM 2592 CB GLU A 168 -13.893 -4.216 6.029 1.00 0.00 C ATOM 2593 CG GLU A 168 -15.194 -4.915 5.633 1.00 0.00 C ATOM 2594 CD GLU A 168 -15.064 -5.508 4.234 1.00 0.00 C ATOM 2595 OE1 GLU A 168 -14.623 -6.641 4.132 1.00 0.00 O ATOM 2596 OE2 GLU A 168 -15.406 -4.820 3.285 1.00 0.00 O ATOM 0 H GLU A 168 -11.692 -3.307 5.371 1.00 0.00 H new ATOM 0 HA GLU A 168 -14.315 -2.998 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.043 -4.870 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.893 -4.003 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -15.426 -5.702 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -16.021 -4.205 5.660 1.00 0.00 H new ATOM 2603 N LYS A 169 -13.568 -1.388 7.101 1.00 0.00 N ATOM 2604 CA LYS A 169 -13.994 -0.290 7.965 1.00 0.00 C ATOM 2605 C LYS A 169 -14.060 1.026 7.192 1.00 0.00 C ATOM 2606 O LYS A 169 -15.066 1.737 7.236 1.00 0.00 O ATOM 2607 CB LYS A 169 -13.022 -0.144 9.138 1.00 0.00 C ATOM 2608 CG LYS A 169 -13.753 0.477 10.330 1.00 0.00 C ATOM 2609 CD LYS A 169 -12.757 1.253 11.194 1.00 0.00 C ATOM 2610 CE LYS A 169 -13.479 1.823 12.416 1.00 0.00 C ATOM 2611 NZ LYS A 169 -14.735 2.499 11.981 1.00 0.00 N ATOM 0 H LYS A 169 -12.689 -1.828 7.372 1.00 0.00 H new ATOM 0 HA LYS A 169 -14.991 -0.522 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.618 -1.118 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -12.178 0.482 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -14.542 1.143 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -14.233 -0.302 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.946 0.597 11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -12.308 2.060 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -13.709 1.024 13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -12.833 2.531 12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -14.991 3.233 12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -14.589 2.937 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -15.502 1.799 11.918 1.00 0.00 H new ATOM 2625 N ILE A 170 -12.977 1.348 6.495 1.00 0.00 N ATOM 2626 CA ILE A 170 -12.907 2.585 5.721 1.00 0.00 C ATOM 2627 C ILE A 170 -14.088 2.709 4.759 1.00 0.00 C ATOM 2628 O ILE A 170 -14.667 3.788 4.614 1.00 0.00 O ATOM 2629 CB ILE A 170 -11.598 2.625 4.936 1.00 0.00 C ATOM 2630 CG1 ILE A 170 -10.463 3.058 5.866 1.00 0.00 C ATOM 2631 CG2 ILE A 170 -11.721 3.624 3.785 1.00 0.00 C ATOM 2632 CD1 ILE A 170 -9.117 2.704 5.233 1.00 0.00 C ATOM 0 H ILE A 170 -12.136 0.772 6.449 1.00 0.00 H new ATOM 0 HA ILE A 170 -12.949 3.423 6.417 1.00 0.00 H new ATOM 0 HB ILE A 170 -11.385 1.634 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -10.519 4.131 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -10.563 2.564 6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 170 -10.786 3.651 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 170 -12.531 3.318 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 170 -11.934 4.615 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -8.310 3.013 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -9.062 1.627 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -9.018 3.219 4.277 1.00 0.00 H new ATOM 2644 N ASP A 171 -14.440 1.610 4.100 1.00 0.00 N ATOM 2645 CA ASP A 171 -15.551 1.634 3.154 1.00 0.00 C ATOM 2646 C ASP A 171 -16.871 1.837 3.887 1.00 0.00 C ATOM 2647 O ASP A 171 -17.750 2.554 3.411 1.00 0.00 O ATOM 2648 CB ASP A 171 -15.600 0.333 2.351 1.00 0.00 C ATOM 2649 CG ASP A 171 -16.582 -0.646 2.986 1.00 0.00 C ATOM 2650 OD1 ASP A 171 -17.774 -0.407 2.891 1.00 0.00 O ATOM 2651 OD2 ASP A 171 -16.127 -1.626 3.554 1.00 0.00 O ATOM 0 H ASP A 171 -13.981 0.705 4.200 1.00 0.00 H new ATOM 0 HA ASP A 171 -15.395 2.467 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -15.899 0.543 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -14.607 -0.114 2.309 1.00 0.00 H new ATOM 2656 N GLY A 172 -17.002 1.211 5.050 1.00 0.00 N ATOM 2657 CA GLY A 172 -18.221 1.346 5.836 1.00 0.00 C ATOM 2658 C GLY A 172 -18.525 2.818 6.090 1.00 0.00 C ATOM 2659 O GLY A 172 -19.673 3.252 5.996 1.00 0.00 O ATOM 0 H GLY A 172 -16.289 0.612 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 172 -19.055 0.881 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 172 -18.110 0.821 6.785 1.00 0.00 H new ATOM 2663 N ALA A 173 -17.483 3.581 6.408 1.00 0.00 N ATOM 2664 CA ALA A 173 -17.641 5.006 6.671 1.00 0.00 C ATOM 2665 C ALA A 173 -17.978 5.756 5.384 1.00 0.00 C ATOM 2666 O ALA A 173 -19.116 6.179 5.182 1.00 0.00 O ATOM 2667 CB ALA A 173 -16.353 5.573 7.271 1.00 0.00 C ATOM 0 H ALA A 173 -16.526 3.238 6.489 1.00 0.00 H new ATOM 0 HA ALA A 173 -18.460 5.136 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -16.480 6.638 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -16.130 5.059 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -15.530 5.427 6.571 1.00 0.00 H new ATOM 2673 N ALA A 174 -16.980 5.921 4.520 1.00 0.00 N ATOM 2674 CA ALA A 174 -17.181 6.627 3.259 1.00 0.00 C ATOM 2675 C ALA A 174 -18.420 6.104 2.535 1.00 0.00 C ATOM 2676 O ALA A 174 -19.427 6.803 2.426 1.00 0.00 O ATOM 2677 CB ALA A 174 -15.955 6.451 2.362 1.00 0.00 C ATOM 0 H ALA A 174 -16.031 5.578 4.669 1.00 0.00 H new ATOM 0 HA ALA A 174 -17.325 7.685 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -16.112 6.981 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -15.076 6.855 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -15.802 5.391 2.159 1.00 0.00 H new