USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 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 1 MET CE :methyl -121:sc= -2.67 (180deg=0) USER MOD Set 1.2: B 50 LYS NZ :NH3+ -175:sc= -3.19 (180deg=-0.5) USER MOD Set 2.1: B 44 THR OG1 : rot 67:sc= 1.8 USER MOD Set 2.2: B 53 THR OG1 : rot 82:sc= 1.8 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -174:sc= -3.1 (180deg=-0.467) USER MOD Set 3.2: B 1 MET CE :methyl -119:sc= -2.67 (180deg=0) USER MOD Set 4.1: A 44 THR OG1 : rot 65:sc= 1.76 USER MOD Set 4.2: A 53 THR OG1 : rot 93:sc= 1.87 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -4.98! C(o=-5!,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -130:sc= -2.67! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -4.98! USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.254 USER MOD Single : A 18 THR OG1 : rot 32:sc= 0.699 USER MOD Single : A 25 THR OG1 : rot -146:sc= -0.468 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0502 (180deg=-0.281) USER MOD Single : A 31 LYS NZ :NH3+ 133:sc= -0.129 (180deg=-0.815) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.67! F(o=-3.4,f=-1.7!) USER MOD Single : A 35 ASN : amide:sc= -5.35! C(o=-5.4!,f=-5.3!) USER MOD Single : A 37 ASN :FLIP amide:sc= -5.19 F(o=-5.9!,f=-5.2) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 49 THR OG1 : rot -65:sc= 0.079 USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.789 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.18 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -5.02! C(o=-5!,f=-11!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -130:sc= -2.66! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 167:sc= -4.98! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.297 USER MOD Single : B 18 THR OG1 : rot 32:sc= 0.7 USER MOD Single : B 25 THR OG1 : rot -145:sc= -0.431 USER MOD Single : B 28 LYS NZ :NH3+ 138:sc= -0.0369 (180deg=-0.272) USER MOD Single : B 31 LYS NZ :NH3+ 134:sc= -0.121 (180deg=-0.798) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.6! F(o=-3.4,f=-1.6!) USER MOD Single : B 35 ASN : amide:sc= -5.26! C(o=-5.3!,f=-5.3!) USER MOD Single : B 37 ASN :FLIP amide:sc= -5.17 F(o=-5.9!,f=-5.2) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.521 USER MOD Single : B 49 THR OG1 : rot -64:sc= 0.0769 USER MOD Single : B 51 THR OG1 : rot 64:sc= 0.791 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.735 -18.573 3.403 1.00 0.00 N ATOM 2 CA MET A 1 7.050 -17.963 2.085 1.00 0.00 C ATOM 3 C MET A 1 6.689 -16.480 2.078 1.00 0.00 C ATOM 4 O MET A 1 5.593 -16.099 2.487 1.00 0.00 O ATOM 5 CB MET A 1 6.258 -18.706 1.006 1.00 0.00 C ATOM 6 CG MET A 1 6.754 -18.448 -0.407 1.00 0.00 C ATOM 7 SD MET A 1 8.439 -19.039 -0.666 1.00 0.00 S ATOM 8 CE MET A 1 8.634 -18.744 -2.421 1.00 0.00 C ATOM 0 H1 MET A 1 6.988 -19.582 3.388 1.00 0.00 H new ATOM 0 H2 MET A 1 7.278 -18.091 4.147 1.00 0.00 H new ATOM 0 H3 MET A 1 5.718 -18.474 3.597 1.00 0.00 H new ATOM 0 HA MET A 1 8.119 -18.047 1.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.304 -19.776 1.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.210 -18.414 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.088 -18.937 -1.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.712 -17.379 -0.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.857 -19.684 -2.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.712 -18.325 -2.824 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.452 -18.043 -2.583 1.00 0.00 H new ATOM 20 N GLN A 2 7.616 -15.646 1.619 1.00 0.00 N ATOM 21 CA GLN A 2 7.386 -14.204 1.573 1.00 0.00 C ATOM 22 C GLN A 2 7.275 -13.709 0.133 1.00 0.00 C ATOM 23 O GLN A 2 7.931 -14.229 -0.768 1.00 0.00 O ATOM 24 CB GLN A 2 8.513 -13.462 2.294 1.00 0.00 C ATOM 25 CG GLN A 2 8.336 -11.951 2.300 1.00 0.00 C ATOM 26 CD GLN A 2 9.459 -11.234 3.023 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.696 -11.465 4.208 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.153 -10.353 2.313 1.00 0.00 N ATOM 0 H GLN A 2 8.530 -15.940 1.275 1.00 0.00 H new ATOM 0 HA GLN A 2 6.442 -14.000 2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.572 -13.817 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.462 -13.707 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.283 -11.591 1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.387 -11.702 2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.922 -10.193 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.917 -9.836 2.748 1.00 0.00 H new ATOM 37 N TYR A 3 6.445 -12.688 -0.068 1.00 0.00 N ATOM 38 CA TYR A 3 6.248 -12.107 -1.390 1.00 0.00 C ATOM 39 C TYR A 3 6.337 -10.588 -1.318 1.00 0.00 C ATOM 40 O TYR A 3 6.042 -9.993 -0.282 1.00 0.00 O ATOM 41 CB TYR A 3 4.892 -12.526 -1.960 1.00 0.00 C ATOM 42 CG TYR A 3 4.754 -14.018 -2.158 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.710 -14.879 -1.070 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.671 -14.565 -3.431 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.585 -16.245 -1.245 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.546 -15.928 -3.615 1.00 0.00 C ATOM 47 CZ TYR A 3 4.504 -16.764 -2.519 1.00 0.00 C ATOM 48 OH TYR A 3 4.383 -18.124 -2.697 1.00 0.00 O ATOM 0 H TYR A 3 5.898 -12.246 0.671 1.00 0.00 H new ATOM 0 HA TYR A 3 7.034 -12.475 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.104 -12.182 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.739 -12.025 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.774 -14.475 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.705 -13.914 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.551 -16.901 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.481 -16.337 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 3 4.337 -18.326 -3.655 1.00 0.00 H new ATOM 58 N LYS A 4 6.754 -9.963 -2.414 1.00 0.00 N ATOM 59 CA LYS A 4 6.885 -8.511 -2.451 1.00 0.00 C ATOM 60 C LYS A 4 5.820 -7.879 -3.338 1.00 0.00 C ATOM 61 O LYS A 4 5.859 -8.006 -4.561 1.00 0.00 O ATOM 62 CB LYS A 4 8.277 -8.112 -2.943 1.00 0.00 C ATOM 63 CG LYS A 4 8.505 -6.610 -2.973 1.00 0.00 C ATOM 64 CD LYS A 4 9.913 -6.265 -3.428 1.00 0.00 C ATOM 65 CE LYS A 4 10.144 -4.762 -3.438 1.00 0.00 C ATOM 66 NZ LYS A 4 11.519 -4.415 -3.891 1.00 0.00 N ATOM 0 H LYS A 4 7.005 -10.435 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 4 6.745 -8.141 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.026 -8.572 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.428 -8.514 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.782 -6.145 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.332 -6.196 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.637 -6.741 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.082 -6.667 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.415 -4.287 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.980 -4.363 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.636 -3.382 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.215 -4.847 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.667 -4.774 -4.856 1.00 0.00 H new ATOM 80 N VAL A 5 4.875 -7.185 -2.715 1.00 0.00 N ATOM 81 CA VAL A 5 3.809 -6.522 -3.447 1.00 0.00 C ATOM 82 C VAL A 5 4.178 -5.064 -3.705 1.00 0.00 C ATOM 83 O VAL A 5 4.690 -4.377 -2.826 1.00 0.00 O ATOM 84 CB VAL A 5 2.468 -6.595 -2.686 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.369 -5.883 -3.459 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.088 -8.044 -2.420 1.00 0.00 C ATOM 0 H VAL A 5 4.828 -7.068 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 5 3.687 -7.041 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 5 2.588 -6.089 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.433 -5.947 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.639 -4.836 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.246 -6.355 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.140 -8.079 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.988 -8.574 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.863 -8.519 -1.819 1.00 0.00 H new ATOM 96 N ILE A 6 3.930 -4.610 -4.922 1.00 0.00 N ATOM 97 CA ILE A 6 4.247 -3.243 -5.314 1.00 0.00 C ATOM 98 C ILE A 6 2.979 -2.455 -5.628 1.00 0.00 C ATOM 99 O ILE A 6 2.074 -2.950 -6.300 1.00 0.00 O ATOM 100 CB ILE A 6 5.193 -3.243 -6.537 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.532 -3.877 -6.160 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.409 -1.838 -7.075 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.499 -3.986 -7.320 1.00 0.00 C ATOM 0 H ILE A 6 3.507 -5.171 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 6 4.749 -2.758 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 6 4.724 -3.831 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.993 -3.288 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.352 -4.872 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.079 -1.876 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.452 -1.414 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.851 -1.215 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.427 -4.445 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.058 -4.600 -8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.709 -2.991 -7.713 1.00 0.00 H new ATOM 115 N LEU A 7 2.915 -1.228 -5.124 1.00 0.00 N ATOM 116 CA LEU A 7 1.756 -0.372 -5.336 1.00 0.00 C ATOM 117 C LEU A 7 2.124 0.830 -6.205 1.00 0.00 C ATOM 118 O LEU A 7 2.779 1.763 -5.742 1.00 0.00 O ATOM 119 CB LEU A 7 1.209 0.098 -3.986 1.00 0.00 C ATOM 120 CG LEU A 7 1.163 -0.974 -2.905 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.648 -0.379 -1.604 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.298 -2.140 -3.360 1.00 0.00 C ATOM 0 H LEU A 7 3.655 -0.804 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 7 0.987 -0.944 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.822 0.926 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.202 0.488 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 7 2.170 -1.352 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.618 -1.153 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.311 0.425 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.355 0.018 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.272 -2.900 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.714 -1.787 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.716 -2.569 -4.271 1.00 0.00 H new ATOM 134 N ASN A 8 1.706 0.799 -7.470 1.00 0.00 N ATOM 135 CA ASN A 8 2.003 1.886 -8.403 1.00 0.00 C ATOM 136 C ASN A 8 0.754 2.694 -8.735 1.00 0.00 C ATOM 137 O ASN A 8 -0.117 2.230 -9.463 1.00 0.00 O ATOM 138 CB ASN A 8 2.602 1.332 -9.696 1.00 0.00 C ATOM 139 CG ASN A 8 3.897 0.583 -9.463 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.919 -0.432 -8.775 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.983 1.085 -10.040 1.00 0.00 N ATOM 0 H ASN A 8 1.162 0.035 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 8 2.724 2.543 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.881 0.666 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.781 2.153 -10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.884 0.623 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.916 1.932 -10.604 1.00 0.00 H new ATOM 148 N GLY A 9 0.677 3.911 -8.213 1.00 0.00 N ATOM 149 CA GLY A 9 -0.471 4.759 -8.487 1.00 0.00 C ATOM 150 C GLY A 9 -0.099 5.986 -9.285 1.00 0.00 C ATOM 151 O GLY A 9 0.995 6.065 -9.844 1.00 0.00 O ATOM 0 H GLY A 9 1.385 4.327 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.221 4.187 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.927 5.065 -7.545 1.00 0.00 H new ATOM 155 N LYS A 10 -1.010 6.947 -9.338 1.00 0.00 N ATOM 156 CA LYS A 10 -0.765 8.175 -10.075 1.00 0.00 C ATOM 157 C LYS A 10 0.184 9.088 -9.306 1.00 0.00 C ATOM 158 O LYS A 10 1.216 9.512 -9.828 1.00 0.00 O ATOM 159 CB LYS A 10 -2.080 8.909 -10.349 1.00 0.00 C ATOM 160 CG LYS A 10 -3.085 8.087 -11.141 1.00 0.00 C ATOM 161 CD LYS A 10 -4.336 8.892 -11.461 1.00 0.00 C ATOM 162 CE LYS A 10 -5.019 9.396 -10.198 1.00 0.00 C ATOM 163 NZ LYS A 10 -6.254 10.168 -10.507 1.00 0.00 N ATOM 0 H LYS A 10 -1.921 6.899 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.302 7.909 -11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.529 9.199 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.866 9.828 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.626 7.743 -12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.359 7.198 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.072 9.739 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.031 8.274 -12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.270 8.550 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.328 10.025 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.690 10.494 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.011 10.990 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.924 9.560 -11.020 1.00 0.00 H new ATOM 177 N THR A 11 -0.181 9.400 -8.067 1.00 0.00 N ATOM 178 CA THR A 11 0.613 10.276 -7.221 1.00 0.00 C ATOM 179 C THR A 11 1.261 9.513 -6.074 1.00 0.00 C ATOM 180 O THR A 11 1.826 10.119 -5.163 1.00 0.00 O ATOM 181 CB THR A 11 -0.285 11.366 -6.654 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.488 10.798 -6.163 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.652 12.432 -7.661 1.00 0.00 C ATOM 0 H THR A 11 -1.032 9.053 -7.625 1.00 0.00 H new ATOM 0 HA THR A 11 1.407 10.709 -7.829 1.00 0.00 H new ATOM 0 HB THR A 11 0.291 11.839 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.254 11.292 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.293 13.175 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.254 12.915 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.182 11.976 -8.497 1.00 0.00 H new ATOM 191 N LEU A 12 1.173 8.191 -6.106 1.00 0.00 N ATOM 192 CA LEU A 12 1.750 7.381 -5.048 1.00 0.00 C ATOM 193 C LEU A 12 2.416 6.123 -5.601 1.00 0.00 C ATOM 194 O LEU A 12 1.880 5.459 -6.487 1.00 0.00 O ATOM 195 CB LEU A 12 0.675 7.011 -4.025 1.00 0.00 C ATOM 196 CG LEU A 12 1.160 6.159 -2.862 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.377 6.803 -2.228 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.053 5.969 -1.833 1.00 0.00 C ATOM 0 H LEU A 12 0.712 7.662 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 12 2.523 7.972 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.242 7.929 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.125 6.477 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 12 1.438 5.175 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.721 6.189 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.172 6.887 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.115 7.796 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.422 5.357 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.259 6.941 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.798 5.473 -2.301 1.00 0.00 H new ATOM 210 N LYS A 13 3.582 5.802 -5.050 1.00 0.00 N ATOM 211 CA LYS A 13 4.332 4.618 -5.455 1.00 0.00 C ATOM 212 C LYS A 13 5.062 4.024 -4.255 1.00 0.00 C ATOM 213 O LYS A 13 5.468 4.756 -3.354 1.00 0.00 O ATOM 214 CB LYS A 13 5.328 4.962 -6.563 1.00 0.00 C ATOM 215 CG LYS A 13 4.668 5.483 -7.831 1.00 0.00 C ATOM 216 CD LYS A 13 5.692 5.761 -8.919 1.00 0.00 C ATOM 217 CE LYS A 13 6.701 6.808 -8.479 1.00 0.00 C ATOM 218 NZ LYS A 13 7.708 7.089 -9.539 1.00 0.00 N ATOM 0 H LYS A 13 4.031 6.350 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 13 3.630 3.880 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.027 5.711 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.911 4.074 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.943 4.753 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.117 6.396 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.212 4.838 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.183 6.101 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.179 7.729 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.209 6.466 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.378 7.808 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.224 6.216 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.226 7.440 -10.391 1.00 0.00 H new ATOM 232 N GLY A 14 5.231 2.705 -4.235 1.00 0.00 N ATOM 233 CA GLY A 14 5.918 2.081 -3.117 1.00 0.00 C ATOM 234 C GLY A 14 6.115 0.589 -3.276 1.00 0.00 C ATOM 235 O GLY A 14 5.821 0.018 -4.327 1.00 0.00 O ATOM 0 H GLY A 14 4.910 2.065 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.891 2.555 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.352 2.268 -2.205 1.00 0.00 H new ATOM 239 N GLU A 15 6.614 -0.041 -2.216 1.00 0.00 N ATOM 240 CA GLU A 15 6.859 -1.477 -2.208 1.00 0.00 C ATOM 241 C GLU A 15 6.468 -2.073 -0.859 1.00 0.00 C ATOM 242 O GLU A 15 6.745 -1.493 0.191 1.00 0.00 O ATOM 243 CB GLU A 15 8.329 -1.783 -2.508 1.00 0.00 C ATOM 244 CG GLU A 15 8.799 -1.290 -3.869 1.00 0.00 C ATOM 245 CD GLU A 15 8.986 0.216 -3.925 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.858 0.872 -2.869 1.00 0.00 O ATOM 247 OE2 GLU A 15 9.272 0.738 -5.022 1.00 0.00 O ATOM 0 H GLU A 15 6.858 0.428 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 15 6.247 -1.929 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.949 -1.329 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.484 -2.860 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.742 -1.777 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.075 -1.589 -4.627 1.00 0.00 H new ATOM 254 N THR A 16 5.816 -3.226 -0.897 1.00 0.00 N ATOM 255 CA THR A 16 5.371 -3.902 0.313 1.00 0.00 C ATOM 256 C THR A 16 5.602 -5.409 0.211 1.00 0.00 C ATOM 257 O THR A 16 5.937 -5.917 -0.857 1.00 0.00 O ATOM 258 CB THR A 16 3.896 -3.585 0.573 1.00 0.00 C ATOM 259 OG1 THR A 16 3.324 -4.552 1.417 1.00 0.00 O ATOM 260 CG2 THR A 16 3.057 -3.512 -0.685 1.00 0.00 C ATOM 0 H THR A 16 5.582 -3.716 -1.760 1.00 0.00 H new ATOM 0 HA THR A 16 5.958 -3.537 1.156 1.00 0.00 H new ATOM 0 HB THR A 16 3.893 -2.599 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.382 -4.333 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.024 -3.284 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.446 -2.730 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.096 -4.470 -1.204 1.00 0.00 H new ATOM 268 N THR A 17 5.453 -6.120 1.330 1.00 0.00 N ATOM 269 CA THR A 17 5.678 -7.565 1.343 1.00 0.00 C ATOM 270 C THR A 17 4.710 -8.314 2.261 1.00 0.00 C ATOM 271 O THR A 17 4.680 -8.086 3.470 1.00 0.00 O ATOM 272 CB THR A 17 7.113 -7.861 1.774 1.00 0.00 C ATOM 273 OG1 THR A 17 7.391 -7.264 3.029 1.00 0.00 O ATOM 274 CG2 THR A 17 8.149 -7.368 0.788 1.00 0.00 C ATOM 0 H THR A 17 5.180 -5.724 2.229 1.00 0.00 H new ATOM 0 HA THR A 17 5.500 -7.919 0.328 1.00 0.00 H new ATOM 0 HB THR A 17 7.181 -8.947 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.616 -7.369 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.146 -7.611 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.991 -7.850 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.058 -6.288 0.674 1.00 0.00 H new ATOM 282 N THR A 18 3.943 -9.228 1.672 1.00 0.00 N ATOM 283 CA THR A 18 2.990 -10.049 2.417 1.00 0.00 C ATOM 284 C THR A 18 3.505 -11.484 2.499 1.00 0.00 C ATOM 285 O THR A 18 4.093 -11.991 1.543 1.00 0.00 O ATOM 286 CB THR A 18 1.620 -10.028 1.733 1.00 0.00 C ATOM 287 OG1 THR A 18 0.651 -10.664 2.546 1.00 0.00 O ATOM 288 CG2 THR A 18 1.612 -10.717 0.383 1.00 0.00 C ATOM 0 H THR A 18 3.963 -9.420 0.671 1.00 0.00 H new ATOM 0 HA THR A 18 2.885 -9.643 3.423 1.00 0.00 H new ATOM 0 HB THR A 18 1.385 -8.974 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.872 -10.522 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.611 -10.665 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.318 -10.221 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.901 -11.761 0.506 1.00 0.00 H new ATOM 296 N GLU A 19 3.285 -12.138 3.632 1.00 0.00 N ATOM 297 CA GLU A 19 3.733 -13.516 3.811 1.00 0.00 C ATOM 298 C GLU A 19 2.557 -14.479 3.719 1.00 0.00 C ATOM 299 O GLU A 19 1.645 -14.434 4.546 1.00 0.00 O ATOM 300 CB GLU A 19 4.434 -13.676 5.161 1.00 0.00 C ATOM 301 CG GLU A 19 4.948 -15.082 5.416 1.00 0.00 C ATOM 302 CD GLU A 19 5.641 -15.216 6.757 1.00 0.00 C ATOM 303 OE1 GLU A 19 4.985 -14.968 7.792 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.840 -15.566 6.773 1.00 0.00 O ATOM 0 H GLU A 19 2.802 -11.741 4.438 1.00 0.00 H new ATOM 0 HA GLU A 19 4.439 -13.751 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.269 -12.978 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.740 -13.402 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.115 -15.783 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.642 -15.360 4.623 1.00 0.00 H new ATOM 311 N ALA A 20 2.567 -15.346 2.707 1.00 0.00 N ATOM 312 CA ALA A 20 1.484 -16.303 2.527 1.00 0.00 C ATOM 313 C ALA A 20 1.968 -17.604 1.885 1.00 0.00 C ATOM 314 O ALA A 20 2.989 -17.636 1.198 1.00 0.00 O ATOM 315 CB ALA A 20 0.378 -15.681 1.688 1.00 0.00 C ATOM 0 H ALA A 20 3.307 -15.403 2.007 1.00 0.00 H new ATOM 0 HA ALA A 20 1.096 -16.554 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.429 -16.402 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.006 -14.794 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.775 -15.400 0.713 1.00 0.00 H new ATOM 321 N VAL A 21 1.228 -18.674 2.150 1.00 0.00 N ATOM 322 CA VAL A 21 1.559 -20.007 1.645 1.00 0.00 C ATOM 323 C VAL A 21 1.819 -20.005 0.136 1.00 0.00 C ATOM 324 O VAL A 21 2.524 -20.873 -0.377 1.00 0.00 O ATOM 325 CB VAL A 21 0.425 -21.002 1.943 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.841 -22.417 1.575 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.009 -20.915 3.402 1.00 0.00 C ATOM 0 H VAL A 21 0.382 -18.645 2.720 1.00 0.00 H new ATOM 0 HA VAL A 21 2.471 -20.312 2.158 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.437 -20.737 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.024 -23.105 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.078 -22.462 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.719 -22.700 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.794 -21.626 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.862 -21.150 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.340 -19.906 3.621 1.00 0.00 H new ATOM 337 N ASP A 22 1.258 -19.028 -0.567 1.00 0.00 N ATOM 338 CA ASP A 22 1.453 -18.932 -2.012 1.00 0.00 C ATOM 339 C ASP A 22 1.200 -17.520 -2.516 1.00 0.00 C ATOM 340 O ASP A 22 0.711 -16.665 -1.778 1.00 0.00 O ATOM 341 CB ASP A 22 0.550 -19.926 -2.749 1.00 0.00 C ATOM 342 CG ASP A 22 -0.898 -19.839 -2.311 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.189 -20.209 -1.154 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.740 -19.399 -3.123 1.00 0.00 O ATOM 0 H ASP A 22 0.670 -18.297 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 22 2.494 -19.183 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.612 -19.741 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.916 -20.938 -2.579 1.00 0.00 H new ATOM 349 N ALA A 23 1.537 -17.282 -3.781 1.00 0.00 N ATOM 350 CA ALA A 23 1.344 -15.975 -4.387 1.00 0.00 C ATOM 351 C ALA A 23 -0.122 -15.580 -4.345 1.00 0.00 C ATOM 352 O ALA A 23 -0.458 -14.431 -4.062 1.00 0.00 O ATOM 353 CB ALA A 23 1.860 -15.972 -5.818 1.00 0.00 C ATOM 0 H ALA A 23 1.945 -17.980 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 23 1.912 -15.241 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.708 -14.986 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.923 -16.211 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.319 -16.717 -6.402 1.00 0.00 H new ATOM 359 N ALA A 24 -0.992 -16.544 -4.614 1.00 0.00 N ATOM 360 CA ALA A 24 -2.424 -16.295 -4.590 1.00 0.00 C ATOM 361 C ALA A 24 -2.863 -15.942 -3.179 1.00 0.00 C ATOM 362 O ALA A 24 -3.437 -14.878 -2.951 1.00 0.00 O ATOM 363 CB ALA A 24 -3.189 -17.501 -5.111 1.00 0.00 C ATOM 0 H ALA A 24 -0.731 -17.501 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.646 -15.453 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.259 -17.293 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.885 -17.709 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.972 -18.367 -4.486 1.00 0.00 H new ATOM 369 N THR A 25 -2.564 -16.818 -2.218 1.00 0.00 N ATOM 370 CA THR A 25 -2.912 -16.545 -0.838 1.00 0.00 C ATOM 371 C THR A 25 -2.352 -15.187 -0.446 1.00 0.00 C ATOM 372 O THR A 25 -3.030 -14.383 0.192 1.00 0.00 O ATOM 373 CB THR A 25 -2.398 -17.645 0.088 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.069 -18.001 -0.235 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.244 -18.901 0.051 1.00 0.00 C ATOM 0 H THR A 25 -2.089 -17.707 -2.374 1.00 0.00 H new ATOM 0 HA THR A 25 -3.997 -16.527 -0.737 1.00 0.00 H new ATOM 0 HB THR A 25 -2.451 -17.224 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.940 -18.960 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.824 -19.642 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.263 -18.663 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.255 -19.303 -0.962 1.00 0.00 H new ATOM 383 N ALA A 26 -1.120 -14.923 -0.871 1.00 0.00 N ATOM 384 CA ALA A 26 -0.486 -13.645 -0.599 1.00 0.00 C ATOM 385 C ALA A 26 -1.286 -12.531 -1.258 1.00 0.00 C ATOM 386 O ALA A 26 -1.618 -11.532 -0.620 1.00 0.00 O ATOM 387 CB ALA A 26 0.952 -13.643 -1.101 1.00 0.00 C ATOM 0 H ALA A 26 -0.546 -15.577 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.465 -13.479 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.410 -12.677 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.514 -14.430 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.962 -13.820 -2.176 1.00 0.00 H new ATOM 393 N GLU A 27 -1.607 -12.714 -2.541 1.00 0.00 N ATOM 394 CA GLU A 27 -2.383 -11.727 -3.280 1.00 0.00 C ATOM 395 C GLU A 27 -3.718 -11.474 -2.596 1.00 0.00 C ATOM 396 O GLU A 27 -4.134 -10.327 -2.432 1.00 0.00 O ATOM 397 CB GLU A 27 -2.620 -12.195 -4.715 1.00 0.00 C ATOM 398 CG GLU A 27 -3.379 -11.187 -5.562 1.00 0.00 C ATOM 399 CD GLU A 27 -3.592 -11.663 -6.986 1.00 0.00 C ATOM 400 OE1 GLU A 27 -2.588 -11.915 -7.685 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.764 -11.783 -7.402 1.00 0.00 O ATOM 0 H GLU A 27 -1.341 -13.535 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.814 -10.797 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.659 -12.402 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.175 -13.133 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.346 -10.987 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.831 -10.245 -5.576 1.00 0.00 H new ATOM 408 N LYS A 28 -4.380 -12.554 -2.186 1.00 0.00 N ATOM 409 CA LYS A 28 -5.665 -12.450 -1.507 1.00 0.00 C ATOM 410 C LYS A 28 -5.502 -11.740 -0.174 1.00 0.00 C ATOM 411 O LYS A 28 -6.295 -10.868 0.179 1.00 0.00 O ATOM 412 CB LYS A 28 -6.274 -13.837 -1.294 1.00 0.00 C ATOM 413 CG LYS A 28 -6.547 -14.579 -2.590 1.00 0.00 C ATOM 414 CD LYS A 28 -7.442 -13.770 -3.511 1.00 0.00 C ATOM 415 CE LYS A 28 -7.705 -14.503 -4.819 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.326 -15.837 -4.591 1.00 0.00 N ATOM 0 H LYS A 28 -4.046 -13.509 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.339 -11.868 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.599 -14.432 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.206 -13.735 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.605 -14.795 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.018 -15.537 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.389 -13.564 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.976 -12.807 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.360 -13.900 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.767 -14.627 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.704 -16.202 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.609 -16.495 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.099 -15.747 -3.901 1.00 0.00 H new ATOM 430 N VAL A 29 -4.454 -12.108 0.557 1.00 0.00 N ATOM 431 CA VAL A 29 -4.177 -11.492 1.843 1.00 0.00 C ATOM 432 C VAL A 29 -3.953 -10.000 1.668 1.00 0.00 C ATOM 433 O VAL A 29 -4.431 -9.190 2.459 1.00 0.00 O ATOM 434 CB VAL A 29 -2.943 -12.123 2.517 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.612 -11.403 3.813 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.173 -13.604 2.773 1.00 0.00 C ATOM 0 H VAL A 29 -3.787 -12.828 0.279 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.041 -11.662 2.485 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.094 -12.018 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.738 -11.864 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.401 -10.354 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.460 -11.473 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.291 -14.032 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.036 -13.731 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.357 -14.113 1.827 1.00 0.00 H new ATOM 446 N VAL A 30 -3.244 -9.643 0.604 1.00 0.00 N ATOM 447 CA VAL A 30 -2.986 -8.248 0.305 1.00 0.00 C ATOM 448 C VAL A 30 -4.313 -7.525 0.091 1.00 0.00 C ATOM 449 O VAL A 30 -4.514 -6.420 0.590 1.00 0.00 O ATOM 450 CB VAL A 30 -2.103 -8.092 -0.945 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.762 -6.628 -1.185 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.835 -8.927 -0.813 1.00 0.00 C ATOM 0 H VAL A 30 -2.840 -10.302 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.451 -7.811 1.148 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.663 -8.455 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.137 -6.541 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.681 -6.060 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.224 -6.234 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.223 -8.804 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.272 -8.598 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.102 -9.978 -0.698 1.00 0.00 H new ATOM 462 N LYS A 31 -5.229 -8.163 -0.647 1.00 0.00 N ATOM 463 CA LYS A 31 -6.543 -7.576 -0.901 1.00 0.00 C ATOM 464 C LYS A 31 -7.135 -7.052 0.402 1.00 0.00 C ATOM 465 O LYS A 31 -7.557 -5.900 0.494 1.00 0.00 O ATOM 466 CB LYS A 31 -7.512 -8.601 -1.504 1.00 0.00 C ATOM 467 CG LYS A 31 -7.025 -9.269 -2.781 1.00 0.00 C ATOM 468 CD LYS A 31 -6.512 -8.266 -3.797 1.00 0.00 C ATOM 469 CE LYS A 31 -6.406 -8.880 -5.184 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.718 -9.382 -5.675 1.00 0.00 N ATOM 0 H LYS A 31 -5.084 -9.078 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.407 -6.762 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.710 -9.373 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.461 -8.105 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.231 -9.975 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.840 -9.844 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.180 -7.406 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.534 -7.899 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.019 -8.136 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.689 -9.701 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.870 -9.059 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.724 -10.422 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.479 -9.017 -5.067 1.00 0.00 H new ATOM 484 N GLN A 32 -7.150 -7.921 1.407 1.00 0.00 N ATOM 485 CA GLN A 32 -7.677 -7.567 2.719 1.00 0.00 C ATOM 486 C GLN A 32 -6.946 -6.345 3.263 1.00 0.00 C ATOM 487 O GLN A 32 -7.543 -5.481 3.906 1.00 0.00 O ATOM 488 CB GLN A 32 -7.531 -8.745 3.688 1.00 0.00 C ATOM 489 CG GLN A 32 -8.188 -8.508 5.039 1.00 0.00 C ATOM 490 CD GLN A 32 -9.704 -8.366 4.971 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.296 -8.624 3.806 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.342 -8.038 5.971 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.802 -8.877 1.337 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.736 -7.330 2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.966 -9.635 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.471 -8.950 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.940 -9.336 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.768 -7.606 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.855 -7.848 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.358 -7.956 5.924 1.00 0.00 H new ATOM 501 N PHE A 33 -5.648 -6.282 2.983 1.00 0.00 N ATOM 502 CA PHE A 33 -4.812 -5.169 3.419 1.00 0.00 C ATOM 503 C PHE A 33 -5.442 -3.840 2.985 1.00 0.00 C ATOM 504 O PHE A 33 -5.890 -3.047 3.813 1.00 0.00 O ATOM 505 CB PHE A 33 -3.407 -5.330 2.818 1.00 0.00 C ATOM 506 CG PHE A 33 -2.366 -4.428 3.410 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.892 -4.655 4.690 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.855 -3.356 2.687 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.930 -3.835 5.241 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.891 -2.533 3.239 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.431 -2.774 4.520 1.00 0.00 C ATOM 0 H PHE A 33 -5.149 -6.995 2.451 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.734 -5.168 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.088 -6.364 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.462 -5.144 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.280 -5.484 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.214 -3.165 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.567 -4.026 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.498 -1.703 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.319 -2.130 4.955 1.00 0.00 H new ATOM 521 N PHE A 34 -5.479 -3.627 1.675 1.00 0.00 N ATOM 522 CA PHE A 34 -6.059 -2.414 1.101 1.00 0.00 C ATOM 523 C PHE A 34 -7.560 -2.366 1.338 1.00 0.00 C ATOM 524 O PHE A 34 -8.117 -1.310 1.641 1.00 0.00 O ATOM 525 CB PHE A 34 -5.716 -2.339 -0.381 1.00 0.00 C ATOM 526 CG PHE A 34 -4.237 -2.373 -0.590 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.422 -1.468 0.069 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.659 -3.322 -1.406 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.054 -1.512 -0.087 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.291 -3.368 -1.572 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.488 -2.462 -0.908 1.00 0.00 C ATOM 0 H PHE A 34 -5.112 -4.282 0.984 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.633 -1.541 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.181 -3.172 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.126 -1.423 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.863 -0.720 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.284 -4.037 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.427 -0.803 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.849 -4.111 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.416 -2.498 -1.032 1.00 0.00 H new ATOM 541 N ASN A 35 -8.209 -3.517 1.234 1.00 0.00 N ATOM 542 CA ASN A 35 -9.643 -3.609 1.474 1.00 0.00 C ATOM 543 C ASN A 35 -9.976 -3.001 2.834 1.00 0.00 C ATOM 544 O ASN A 35 -11.005 -2.352 3.014 1.00 0.00 O ATOM 545 CB ASN A 35 -10.069 -5.076 1.457 1.00 0.00 C ATOM 546 CG ASN A 35 -11.547 -5.261 1.718 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.099 -4.711 2.669 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.189 -6.060 0.883 1.00 0.00 N ATOM 0 H ASN A 35 -7.765 -4.401 0.985 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.175 -3.065 0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.819 -5.511 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.501 -5.623 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.184 -6.242 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.689 -6.495 0.107 1.00 0.00 H new ATOM 555 N ASP A 36 -9.079 -3.241 3.786 1.00 0.00 N ATOM 556 CA ASP A 36 -9.235 -2.747 5.152 1.00 0.00 C ATOM 557 C ASP A 36 -8.522 -1.410 5.383 1.00 0.00 C ATOM 558 O ASP A 36 -8.925 -0.635 6.247 1.00 0.00 O ATOM 559 CB ASP A 36 -8.721 -3.790 6.147 1.00 0.00 C ATOM 560 CG ASP A 36 -9.511 -5.085 6.091 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.467 -5.165 5.290 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.173 -6.019 6.849 1.00 0.00 O ATOM 0 H ASP A 36 -8.227 -3.781 3.634 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.300 -2.574 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.672 -3.999 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.771 -3.381 7.156 1.00 0.00 H new ATOM 567 N ASN A 37 -7.471 -1.134 4.611 1.00 0.00 N ATOM 568 CA ASN A 37 -6.742 0.128 4.761 1.00 0.00 C ATOM 569 C ASN A 37 -7.503 1.256 4.083 1.00 0.00 C ATOM 570 O ASN A 37 -7.608 2.364 4.614 1.00 0.00 O ATOM 571 CB ASN A 37 -5.333 0.032 4.161 1.00 0.00 C ATOM 572 CG ASN A 37 -4.456 -0.978 4.868 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.720 -1.771 4.095 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.415 -1.028 6.099 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.109 -1.754 3.887 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.651 0.335 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.410 -0.237 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.858 1.012 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.997 -0.401 6.655 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.799 -1.696 6.562 1.00 0.00 H new ATOM 581 N GLY A 38 -8.029 0.937 2.901 1.00 0.00 N ATOM 582 CA GLY A 38 -8.800 1.868 2.090 1.00 0.00 C ATOM 583 C GLY A 38 -9.118 3.205 2.741 1.00 0.00 C ATOM 584 O GLY A 38 -8.230 4.028 2.964 1.00 0.00 O ATOM 0 H GLY A 38 -7.929 0.014 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.252 2.056 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.738 1.388 1.812 1.00 0.00 H new ATOM 588 N VAL A 39 -10.405 3.446 2.961 1.00 0.00 N ATOM 589 CA VAL A 39 -10.870 4.723 3.497 1.00 0.00 C ATOM 590 C VAL A 39 -10.835 4.856 5.022 1.00 0.00 C ATOM 591 O VAL A 39 -10.273 5.823 5.536 1.00 0.00 O ATOM 592 CB VAL A 39 -12.302 5.019 3.004 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.826 6.319 3.599 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.341 5.071 1.485 1.00 0.00 C ATOM 0 H VAL A 39 -11.149 2.773 2.776 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.153 5.451 3.118 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.951 4.210 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.837 6.504 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.840 6.242 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.177 7.143 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.358 5.281 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.675 5.858 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.018 4.112 1.080 1.00 0.00 H new ATOM 604 N ASP A 40 -11.473 3.950 5.749 1.00 0.00 N ATOM 605 CA ASP A 40 -11.539 4.067 7.211 1.00 0.00 C ATOM 606 C ASP A 40 -10.387 3.386 7.947 1.00 0.00 C ATOM 607 O ASP A 40 -10.537 3.005 9.110 1.00 0.00 O ATOM 608 CB ASP A 40 -12.866 3.497 7.716 1.00 0.00 C ATOM 609 CG ASP A 40 -14.062 4.237 7.155 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.173 5.457 7.398 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.889 3.597 6.471 1.00 0.00 O ATOM 0 H ASP A 40 -11.948 3.134 5.364 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.458 5.132 7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.933 2.444 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.889 3.547 8.805 1.00 0.00 H new ATOM 616 N GLY A 41 -9.240 3.247 7.303 1.00 0.00 N ATOM 617 CA GLY A 41 -8.110 2.627 7.973 1.00 0.00 C ATOM 618 C GLY A 41 -7.557 3.512 9.078 1.00 0.00 C ATOM 619 O GLY A 41 -7.821 4.714 9.098 1.00 0.00 O ATOM 0 H GLY A 41 -9.068 3.546 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.417 1.669 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.325 2.419 7.246 1.00 0.00 H new ATOM 623 N GLU A 42 -6.788 2.930 9.996 1.00 0.00 N ATOM 624 CA GLU A 42 -6.201 3.694 11.098 1.00 0.00 C ATOM 625 C GLU A 42 -4.854 4.277 10.682 1.00 0.00 C ATOM 626 O GLU A 42 -3.831 3.593 10.730 1.00 0.00 O ATOM 627 CB GLU A 42 -6.018 2.804 12.330 1.00 0.00 C ATOM 628 CG GLU A 42 -7.309 2.187 12.838 1.00 0.00 C ATOM 629 CD GLU A 42 -7.090 1.295 14.045 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.600 1.804 15.076 1.00 0.00 O ATOM 631 OE2 GLU A 42 -7.407 0.091 13.959 1.00 0.00 O ATOM 0 H GLU A 42 -6.557 1.937 10.000 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.881 4.509 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.315 2.006 12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.569 3.394 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.009 2.981 13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.769 1.606 12.039 1.00 0.00 H new ATOM 638 N TRP A 43 -4.858 5.533 10.242 1.00 0.00 N ATOM 639 CA TRP A 43 -3.635 6.183 9.784 1.00 0.00 C ATOM 640 C TRP A 43 -3.009 7.084 10.844 1.00 0.00 C ATOM 641 O TRP A 43 -3.605 8.078 11.263 1.00 0.00 O ATOM 642 CB TRP A 43 -3.921 7.027 8.544 1.00 0.00 C ATOM 643 CG TRP A 43 -4.482 6.256 7.394 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.419 5.269 7.438 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.138 6.422 6.021 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.688 4.813 6.169 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.910 5.508 5.282 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.251 7.258 5.348 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.819 5.412 3.898 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.160 7.161 3.979 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.941 6.245 3.264 1.00 0.00 C ATOM 0 H TRP A 43 -5.692 6.118 10.193 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.930 5.383 9.558 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.620 7.819 8.811 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.997 7.511 8.226 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.884 4.898 8.339 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.355 4.080 5.929 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.646 7.969 5.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.420 4.705 3.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.474 7.803 3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.847 6.196 2.189 1.00 0.00 H new ATOM 662 N THR A 44 -1.784 6.756 11.238 1.00 0.00 N ATOM 663 CA THR A 44 -1.047 7.557 12.206 1.00 0.00 C ATOM 664 C THR A 44 0.121 8.237 11.496 1.00 0.00 C ATOM 665 O THR A 44 0.775 7.628 10.649 1.00 0.00 O ATOM 666 CB THR A 44 -0.546 6.686 13.361 1.00 0.00 C ATOM 667 OG1 THR A 44 0.273 5.637 12.883 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.663 6.062 14.169 1.00 0.00 C ATOM 0 H THR A 44 -1.279 5.937 10.900 1.00 0.00 H new ATOM 0 HA THR A 44 -1.707 8.315 12.628 1.00 0.00 H new ATOM 0 HB THR A 44 0.016 7.362 14.006 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.085 6.012 12.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.238 5.458 14.971 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.285 6.848 14.597 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.271 5.430 13.522 1.00 0.00 H new ATOM 676 N TYR A 45 0.370 9.503 11.817 1.00 0.00 N ATOM 677 CA TYR A 45 1.449 10.245 11.169 1.00 0.00 C ATOM 678 C TYR A 45 2.600 10.520 12.133 1.00 0.00 C ATOM 679 O TYR A 45 2.388 10.765 13.320 1.00 0.00 O ATOM 680 CB TYR A 45 0.911 11.563 10.606 1.00 0.00 C ATOM 681 CG TYR A 45 1.910 12.327 9.764 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.808 11.662 8.938 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.950 13.715 9.792 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.718 12.358 8.165 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.857 14.419 9.021 1.00 0.00 C ATOM 686 CZ TYR A 45 3.738 13.736 8.211 1.00 0.00 C ATOM 687 OH TYR A 45 4.641 14.433 7.441 1.00 0.00 O ATOM 0 H TYR A 45 -0.154 10.033 12.514 1.00 0.00 H new ATOM 0 HA TYR A 45 1.835 9.631 10.355 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.027 11.355 10.003 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.590 12.196 11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.795 10.583 8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.261 14.253 10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.409 11.826 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.875 15.498 9.054 1.00 0.00 H new ATOM 0 HH TYR A 45 4.523 15.395 7.589 1.00 0.00 H new ATOM 697 N ASP A 46 3.821 10.485 11.604 1.00 0.00 N ATOM 698 CA ASP A 46 5.016 10.739 12.403 1.00 0.00 C ATOM 699 C ASP A 46 5.825 11.887 11.806 1.00 0.00 C ATOM 700 O ASP A 46 6.792 11.665 11.076 1.00 0.00 O ATOM 701 CB ASP A 46 5.877 9.476 12.486 1.00 0.00 C ATOM 702 CG ASP A 46 7.122 9.676 13.328 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.943 10.550 12.975 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.278 8.960 14.339 1.00 0.00 O ATOM 0 H ASP A 46 4.008 10.282 10.622 1.00 0.00 H new ATOM 0 HA ASP A 46 4.704 11.020 13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.285 8.663 12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.167 9.171 11.481 1.00 0.00 H new ATOM 709 N ASP A 47 5.416 13.116 12.115 1.00 0.00 N ATOM 710 CA ASP A 47 6.096 14.309 11.608 1.00 0.00 C ATOM 711 C ASP A 47 7.614 14.185 11.733 1.00 0.00 C ATOM 712 O ASP A 47 8.359 14.685 10.892 1.00 0.00 O ATOM 713 CB ASP A 47 5.619 15.549 12.367 1.00 0.00 C ATOM 714 CG ASP A 47 4.125 15.774 12.233 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.656 15.982 11.095 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.424 15.744 13.267 1.00 0.00 O ATOM 0 H ASP A 47 4.615 13.313 12.715 1.00 0.00 H new ATOM 0 HA ASP A 47 5.848 14.407 10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.874 15.446 13.422 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.150 16.425 11.995 1.00 0.00 H new ATOM 721 N ALA A 48 8.059 13.532 12.799 1.00 0.00 N ATOM 722 CA ALA A 48 9.484 13.353 13.057 1.00 0.00 C ATOM 723 C ALA A 48 10.228 12.814 11.839 1.00 0.00 C ATOM 724 O ALA A 48 11.396 13.139 11.626 1.00 0.00 O ATOM 725 CB ALA A 48 9.686 12.429 14.250 1.00 0.00 C ATOM 0 H ALA A 48 7.450 13.115 13.503 1.00 0.00 H new ATOM 0 HA ALA A 48 9.901 14.335 13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.753 12.301 14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.214 12.864 15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.236 11.459 14.039 1.00 0.00 H new ATOM 731 N THR A 49 9.559 11.983 11.045 1.00 0.00 N ATOM 732 CA THR A 49 10.187 11.403 9.861 1.00 0.00 C ATOM 733 C THR A 49 9.360 11.635 8.598 1.00 0.00 C ATOM 734 O THR A 49 9.601 10.998 7.572 1.00 0.00 O ATOM 735 CB THR A 49 10.409 9.903 10.063 1.00 0.00 C ATOM 736 OG1 THR A 49 9.179 9.243 10.306 1.00 0.00 O ATOM 737 CG2 THR A 49 11.337 9.585 11.216 1.00 0.00 C ATOM 0 H THR A 49 8.592 11.698 11.197 1.00 0.00 H new ATOM 0 HA THR A 49 11.146 11.904 9.727 1.00 0.00 H new ATOM 0 HB THR A 49 10.870 9.552 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.804 9.553 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.451 8.505 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.311 10.039 11.035 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.918 9.982 12.141 1.00 0.00 H new ATOM 745 N LYS A 50 8.391 12.544 8.665 1.00 0.00 N ATOM 746 CA LYS A 50 7.553 12.835 7.502 1.00 0.00 C ATOM 747 C LYS A 50 6.987 11.546 6.914 1.00 0.00 C ATOM 748 O LYS A 50 6.873 11.403 5.693 1.00 0.00 O ATOM 749 CB LYS A 50 8.381 13.559 6.436 1.00 0.00 C ATOM 750 CG LYS A 50 8.812 14.960 6.833 1.00 0.00 C ATOM 751 CD LYS A 50 7.796 16.007 6.401 1.00 0.00 C ATOM 752 CE LYS A 50 7.645 16.040 4.887 1.00 0.00 C ATOM 753 NZ LYS A 50 8.962 16.157 4.201 1.00 0.00 N ATOM 0 H LYS A 50 8.167 13.086 9.500 1.00 0.00 H new ATOM 0 HA LYS A 50 6.727 13.471 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.269 12.966 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.799 13.616 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.945 15.007 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.779 15.184 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.831 15.792 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.107 16.988 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.140 15.134 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.012 16.881 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.812 16.279 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.477 16.979 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.519 15.295 4.369 1.00 0.00 H new ATOM 767 N THR A 51 6.656 10.596 7.784 1.00 0.00 N ATOM 768 CA THR A 51 6.129 9.311 7.337 1.00 0.00 C ATOM 769 C THR A 51 4.841 8.937 8.065 1.00 0.00 C ATOM 770 O THR A 51 4.685 9.195 9.258 1.00 0.00 O ATOM 771 CB THR A 51 7.181 8.221 7.547 1.00 0.00 C ATOM 772 OG1 THR A 51 8.353 8.510 6.806 1.00 0.00 O ATOM 773 CG2 THR A 51 6.711 6.842 7.142 1.00 0.00 C ATOM 0 H THR A 51 6.743 10.691 8.796 1.00 0.00 H new ATOM 0 HA THR A 51 5.893 9.400 6.277 1.00 0.00 H new ATOM 0 HB THR A 51 7.379 8.215 8.619 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.756 9.339 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.508 6.120 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.836 6.568 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.450 6.843 6.084 1.00 0.00 H new ATOM 781 N PHE A 52 3.925 8.313 7.329 1.00 0.00 N ATOM 782 CA PHE A 52 2.645 7.879 7.881 1.00 0.00 C ATOM 783 C PHE A 52 2.601 6.355 7.976 1.00 0.00 C ATOM 784 O PHE A 52 3.213 5.664 7.167 1.00 0.00 O ATOM 785 CB PHE A 52 1.488 8.356 6.998 1.00 0.00 C ATOM 786 CG PHE A 52 1.534 9.818 6.644 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.542 10.316 5.833 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.561 10.688 7.107 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.578 11.657 5.494 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.591 12.028 6.768 1.00 0.00 C ATOM 791 CZ PHE A 52 1.601 12.512 5.962 1.00 0.00 C ATOM 0 H PHE A 52 4.048 8.095 6.340 1.00 0.00 H new ATOM 0 HA PHE A 52 2.542 8.313 8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.486 7.772 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.548 8.148 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.307 9.650 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.230 10.315 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.370 12.034 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.175 12.695 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.627 13.559 5.698 1.00 0.00 H new ATOM 801 N THR A 53 1.870 5.833 8.953 1.00 0.00 N ATOM 802 CA THR A 53 1.748 4.389 9.122 1.00 0.00 C ATOM 803 C THR A 53 0.290 3.949 9.057 1.00 0.00 C ATOM 804 O THR A 53 -0.562 4.472 9.774 1.00 0.00 O ATOM 805 CB THR A 53 2.375 3.935 10.439 1.00 0.00 C ATOM 806 OG1 THR A 53 2.067 4.837 11.485 1.00 0.00 O ATOM 807 CG2 THR A 53 3.880 3.791 10.372 1.00 0.00 C ATOM 0 H THR A 53 1.354 6.385 9.638 1.00 0.00 H new ATOM 0 HA THR A 53 2.288 3.918 8.301 1.00 0.00 H new ATOM 0 HB THR A 53 1.946 2.952 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.259 4.535 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.258 3.466 11.341 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.141 3.052 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.326 4.751 10.112 1.00 0.00 H new ATOM 815 N VAL A 54 0.018 2.973 8.197 1.00 0.00 N ATOM 816 CA VAL A 54 -1.330 2.442 8.039 1.00 0.00 C ATOM 817 C VAL A 54 -1.438 1.068 8.693 1.00 0.00 C ATOM 818 O VAL A 54 -0.910 0.082 8.181 1.00 0.00 O ATOM 819 CB VAL A 54 -1.730 2.345 6.549 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.132 1.768 6.404 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.644 3.712 5.887 1.00 0.00 C ATOM 0 H VAL A 54 0.716 2.533 7.597 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.016 3.132 8.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.032 1.673 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.393 1.708 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.162 0.770 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.845 2.412 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.929 3.627 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.319 4.404 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.623 4.086 5.956 1.00 0.00 H new ATOM 831 N THR A 55 -2.116 1.014 9.836 1.00 0.00 N ATOM 832 CA THR A 55 -2.278 -0.238 10.567 1.00 0.00 C ATOM 833 C THR A 55 -3.642 -0.865 10.304 1.00 0.00 C ATOM 834 O THR A 55 -4.676 -0.298 10.660 1.00 0.00 O ATOM 835 CB THR A 55 -2.089 -0.010 12.067 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.856 0.640 12.323 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.099 -1.294 12.867 1.00 0.00 C ATOM 0 H THR A 55 -2.561 1.820 10.275 1.00 0.00 H new ATOM 0 HA THR A 55 -1.513 -0.928 10.211 1.00 0.00 H new ATOM 0 HB THR A 55 -2.934 0.605 12.377 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.754 0.779 13.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.960 -1.065 13.924 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.053 -1.802 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.290 -1.941 12.527 1.00 0.00 H new ATOM 845 N GLU A 56 -3.637 -2.039 9.677 1.00 0.00 N ATOM 846 CA GLU A 56 -4.875 -2.743 9.363 1.00 0.00 C ATOM 847 C GLU A 56 -5.542 -3.251 10.638 1.00 0.00 C ATOM 848 O GLU A 56 -6.709 -2.880 10.882 1.00 0.00 O ATOM 849 CB GLU A 56 -4.588 -3.909 8.411 1.00 0.00 C ATOM 850 CG GLU A 56 -5.838 -4.576 7.851 1.00 0.00 C ATOM 851 CD GLU A 56 -6.664 -5.280 8.910 1.00 0.00 C ATOM 852 OE1 GLU A 56 -6.130 -6.197 9.566 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.845 -4.910 9.083 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.893 -4.015 11.379 1.00 0.00 O ATOM 0 H GLU A 56 -2.790 -2.521 9.377 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.557 -2.047 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.980 -3.546 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.995 -4.657 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.454 -3.823 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.546 -5.297 7.088 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 7.231 18.456 -3.215 1.00 0.00 N ATOM 863 CA MET B 1 7.513 17.839 -1.892 1.00 0.00 C ATOM 864 C MET B 1 7.117 16.365 -1.891 1.00 0.00 C ATOM 865 O MET B 1 6.017 16.010 -2.314 1.00 0.00 O ATOM 866 CB MET B 1 6.725 18.602 -0.825 1.00 0.00 C ATOM 867 CG MET B 1 7.194 18.331 0.595 1.00 0.00 C ATOM 868 SD MET B 1 8.889 18.880 0.879 1.00 0.00 S ATOM 869 CE MET B 1 9.053 18.582 2.635 1.00 0.00 C ATOM 0 H1 MET B 1 7.507 19.459 -3.196 1.00 0.00 H new ATOM 0 H2 MET B 1 7.774 17.961 -3.952 1.00 0.00 H new ATOM 0 H3 MET B 1 6.215 18.380 -3.424 1.00 0.00 H new ATOM 0 HA MET B 1 8.581 17.897 -1.680 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.801 19.671 -1.025 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.671 18.337 -0.906 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.530 18.836 1.296 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.122 17.263 0.800 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.257 19.523 3.146 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.128 18.153 3.019 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.875 17.888 2.811 1.00 0.00 H new ATOM 881 N GLN B 2 8.017 15.507 -1.418 1.00 0.00 N ATOM 882 CA GLN B 2 7.751 14.074 -1.376 1.00 0.00 C ATOM 883 C GLN B 2 7.608 13.580 0.060 1.00 0.00 C ATOM 884 O GLN B 2 8.263 14.085 0.972 1.00 0.00 O ATOM 885 CB GLN B 2 8.869 13.303 -2.082 1.00 0.00 C ATOM 886 CG GLN B 2 8.656 11.798 -2.090 1.00 0.00 C ATOM 887 CD GLN B 2 9.770 11.052 -2.798 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.031 11.278 -3.979 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.433 10.155 -2.077 1.00 0.00 N ATOM 0 H GLN B 2 8.933 15.779 -1.060 1.00 0.00 H new ATOM 0 HA GLN B 2 6.809 13.896 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.950 13.656 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.818 13.525 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.581 11.441 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.707 11.572 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.183 10.000 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.192 9.621 -2.500 1.00 0.00 H new ATOM 898 N TYR B 3 6.750 12.581 0.250 1.00 0.00 N ATOM 899 CA TYR B 3 6.519 12.004 1.570 1.00 0.00 C ATOM 900 C TYR B 3 6.575 10.484 1.499 1.00 0.00 C ATOM 901 O TYR B 3 6.278 9.896 0.459 1.00 0.00 O ATOM 902 CB TYR B 3 5.166 12.455 2.121 1.00 0.00 C ATOM 903 CG TYR B 3 5.062 13.951 2.317 1.00 0.00 C ATOM 904 CD1 TYR B 3 5.054 14.813 1.228 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.974 14.499 3.589 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.961 16.181 1.401 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.880 15.866 3.770 1.00 0.00 C ATOM 908 CZ TYR B 3 4.875 16.702 2.675 1.00 0.00 C ATOM 909 OH TYR B 3 4.784 18.064 2.852 1.00 0.00 O ATOM 0 H TYR B 3 6.202 12.154 -0.497 1.00 0.00 H new ATOM 0 HA TYR B 3 7.303 12.354 2.242 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.379 12.130 1.440 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.987 11.958 3.075 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.122 14.407 0.229 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.979 13.848 4.450 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.956 16.838 0.544 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.811 16.277 4.766 1.00 0.00 H new ATOM 0 HH TYR B 3 4.730 18.267 3.809 1.00 0.00 H new ATOM 919 N LYS B 4 6.960 9.849 2.601 1.00 0.00 N ATOM 920 CA LYS B 4 7.054 8.394 2.638 1.00 0.00 C ATOM 921 C LYS B 4 5.961 7.789 3.511 1.00 0.00 C ATOM 922 O LYS B 4 5.987 7.915 4.734 1.00 0.00 O ATOM 923 CB LYS B 4 8.429 7.962 3.151 1.00 0.00 C ATOM 924 CG LYS B 4 8.619 6.454 3.184 1.00 0.00 C ATOM 925 CD LYS B 4 10.013 6.076 3.659 1.00 0.00 C ATOM 926 CE LYS B 4 10.206 4.568 3.670 1.00 0.00 C ATOM 927 NZ LYS B 4 11.566 4.187 4.143 1.00 0.00 N ATOM 0 H LYS B 4 7.210 10.314 3.474 1.00 0.00 H new ATOM 0 HA LYS B 4 6.919 8.027 1.621 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.199 8.403 2.518 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.575 8.360 4.155 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.875 6.007 3.844 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.449 6.043 2.189 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.757 6.535 3.008 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.178 6.473 4.661 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.456 4.110 4.315 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.047 4.174 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.658 3.151 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.282 4.603 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.709 4.541 5.110 1.00 0.00 H new ATOM 941 N VAL B 5 5.009 7.118 2.874 1.00 0.00 N ATOM 942 CA VAL B 5 3.918 6.480 3.591 1.00 0.00 C ATOM 943 C VAL B 5 4.247 5.014 3.853 1.00 0.00 C ATOM 944 O VAL B 5 4.756 4.314 2.982 1.00 0.00 O ATOM 945 CB VAL B 5 2.590 6.585 2.811 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.462 5.901 3.568 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.248 8.043 2.539 1.00 0.00 C ATOM 0 H VAL B 5 4.973 7.003 1.861 1.00 0.00 H new ATOM 0 HA VAL B 5 3.796 7.001 4.540 1.00 0.00 H new ATOM 0 HB VAL B 5 2.713 6.075 1.856 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.537 5.988 2.999 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.704 4.847 3.708 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.336 6.377 4.541 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.309 8.100 1.988 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.147 8.576 3.485 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.043 8.499 1.949 1.00 0.00 H new ATOM 957 N ILE B 6 3.971 4.566 5.067 1.00 0.00 N ATOM 958 CA ILE B 6 4.249 3.192 5.463 1.00 0.00 C ATOM 959 C ILE B 6 2.958 2.436 5.760 1.00 0.00 C ATOM 960 O ILE B 6 2.056 2.952 6.418 1.00 0.00 O ATOM 961 CB ILE B 6 5.177 3.169 6.699 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.537 3.770 6.343 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.352 1.759 7.241 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.489 3.856 7.515 1.00 0.00 C ATOM 0 H ILE B 6 3.552 5.137 5.801 1.00 0.00 H new ATOM 0 HA ILE B 6 4.751 2.695 4.633 1.00 0.00 H new ATOM 0 HB ILE B 6 4.710 3.769 7.480 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.995 3.169 5.557 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.387 4.769 5.934 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.010 1.782 8.109 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.381 1.358 7.532 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.790 1.125 6.470 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.432 4.292 7.186 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.052 4.481 8.294 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.670 2.857 7.911 1.00 0.00 H new ATOM 976 N LEU B 7 2.872 1.211 5.254 1.00 0.00 N ATOM 977 CA LEU B 7 1.687 0.382 5.450 1.00 0.00 C ATOM 978 C LEU B 7 2.015 -0.828 6.324 1.00 0.00 C ATOM 979 O LEU B 7 2.653 -1.777 5.868 1.00 0.00 O ATOM 980 CB LEU B 7 1.150 -0.073 4.093 1.00 0.00 C ATOM 981 CG LEU B 7 1.146 0.998 3.011 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.634 0.417 1.702 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.302 2.185 3.453 1.00 0.00 C ATOM 0 H LEU B 7 3.609 0.769 4.704 1.00 0.00 H new ATOM 0 HA LEU B 7 0.924 0.971 5.959 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.748 -0.916 3.747 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.131 -0.438 4.226 1.00 0.00 H new ATOM 0 HG LEU B 7 2.165 1.349 2.850 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.635 1.191 0.935 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.281 -0.403 1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.381 0.046 1.841 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.306 2.945 2.672 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.721 1.856 3.634 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.716 2.605 4.370 1.00 0.00 H new ATOM 995 N ASN B 8 1.581 -0.786 7.584 1.00 0.00 N ATOM 996 CA ASN B 8 1.838 -1.879 8.519 1.00 0.00 C ATOM 997 C ASN B 8 0.565 -2.658 8.834 1.00 0.00 C ATOM 998 O ASN B 8 -0.304 -2.173 9.549 1.00 0.00 O ATOM 999 CB ASN B 8 2.432 -1.341 9.821 1.00 0.00 C ATOM 1000 CG ASN B 8 3.747 -0.624 9.607 1.00 0.00 C ATOM 1001 OD1 ASN B 8 3.805 0.391 8.918 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.812 -1.151 10.198 1.00 0.00 N ATOM 0 H ASN B 8 1.051 -0.009 7.979 1.00 0.00 H new ATOM 0 HA ASN B 8 2.549 -2.553 8.041 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.721 -0.658 10.285 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.581 -2.167 10.517 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.726 -0.711 10.089 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.717 -1.996 10.762 1.00 0.00 H new ATOM 1009 N GLY B 9 0.465 -3.874 8.310 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.706 -4.692 8.568 1.00 0.00 C ATOM 1011 C GLY B 9 -0.376 -5.928 9.371 1.00 0.00 C ATOM 1012 O GLY B 9 0.707 -6.034 9.945 1.00 0.00 O ATOM 0 H GLY B 9 1.170 -4.307 7.714 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.449 -4.101 9.104 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.157 -4.987 7.620 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.310 -6.866 9.411 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.106 -8.101 10.151 1.00 0.00 C ATOM 1018 C LYS B 10 -0.167 -9.035 9.395 1.00 0.00 C ATOM 1019 O LYS B 10 0.845 -9.484 9.931 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.442 -8.800 10.408 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.438 -7.955 11.184 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.711 -8.730 11.486 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.388 -9.217 10.214 1.00 0.00 C ATOM 1024 NZ LYS B 10 -6.647 -9.958 10.505 1.00 0.00 N ATOM 0 H LYS B 10 -2.213 -6.796 8.942 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.650 -7.849 11.109 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.885 -9.080 9.452 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.258 -9.724 10.957 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.984 -7.621 12.117 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.683 -7.061 10.611 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.475 -9.583 12.122 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -5.399 -8.096 12.045 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.608 -8.365 9.571 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.705 -9.864 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -7.078 -10.273 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -6.434 -10.785 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -7.309 -9.333 11.008 1.00 0.00 H new ATOM 1038 N THR B 11 -0.524 -9.339 8.151 1.00 0.00 N ATOM 1039 CA THR B 11 0.261 -10.233 7.317 1.00 0.00 C ATOM 1040 C THR B 11 0.944 -9.487 6.179 1.00 0.00 C ATOM 1041 O THR B 11 1.506 -10.107 5.277 1.00 0.00 O ATOM 1042 CB THR B 11 -0.656 -11.301 6.737 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.837 -10.703 6.227 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.063 -12.359 7.738 1.00 0.00 C ATOM 0 H THR B 11 -1.361 -8.973 7.698 1.00 0.00 H new ATOM 0 HA THR B 11 1.036 -10.684 7.936 1.00 0.00 H new ATOM 0 HB THR B 11 -0.081 -11.789 5.950 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.621 -11.177 6.576 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.715 -13.086 7.254 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.174 -12.864 8.115 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.593 -11.891 8.567 1.00 0.00 H new ATOM 1052 N LEU B 12 0.888 -8.162 6.211 1.00 0.00 N ATOM 1053 CA LEU B 12 1.500 -7.367 5.161 1.00 0.00 C ATOM 1054 C LEU B 12 2.186 -6.128 5.722 1.00 0.00 C ATOM 1055 O LEU B 12 1.654 -5.449 6.601 1.00 0.00 O ATOM 1056 CB LEU B 12 0.448 -6.973 4.122 1.00 0.00 C ATOM 1057 CG LEU B 12 0.969 -6.132 2.966 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.181 -6.806 2.349 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.118 -5.916 1.923 1.00 0.00 C ATOM 0 H LEU B 12 0.430 -7.622 6.945 1.00 0.00 H new ATOM 0 HA LEU B 12 2.266 -7.976 4.681 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.000 -7.881 3.718 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.347 -6.421 4.623 1.00 0.00 H new ATOM 0 HG LEU B 12 1.264 -5.154 3.346 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.552 -6.201 1.521 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.963 -6.909 3.102 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.900 -7.793 1.980 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.277 -5.312 1.106 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.447 -6.880 1.536 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.963 -5.401 2.380 1.00 0.00 H new ATOM 1071 N LYS B 13 3.368 -5.835 5.188 1.00 0.00 N ATOM 1072 CA LYS B 13 4.142 -4.668 5.604 1.00 0.00 C ATOM 1073 C LYS B 13 4.902 -4.093 4.414 1.00 0.00 C ATOM 1074 O LYS B 13 5.302 -4.835 3.519 1.00 0.00 O ATOM 1075 CB LYS B 13 5.113 -5.036 6.727 1.00 0.00 C ATOM 1076 CG LYS B 13 4.423 -5.541 7.985 1.00 0.00 C ATOM 1077 CD LYS B 13 5.423 -5.845 9.088 1.00 0.00 C ATOM 1078 CE LYS B 13 6.414 -6.915 8.661 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.397 -7.221 9.734 1.00 0.00 N ATOM 0 H LYS B 13 3.814 -6.394 4.461 1.00 0.00 H new ATOM 0 HA LYS B 13 3.453 -3.912 5.982 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.799 -5.802 6.366 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.714 -4.162 6.978 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.711 -4.794 8.335 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.853 -6.440 7.752 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.961 -4.935 9.354 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.892 -6.175 9.981 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.874 -7.823 8.393 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.943 -6.584 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.055 -7.955 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.930 -6.360 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.894 -7.562 10.578 1.00 0.00 H new ATOM 1093 N GLY B 14 5.104 -2.778 4.397 1.00 0.00 N ATOM 1094 CA GLY B 14 5.821 -2.172 3.289 1.00 0.00 C ATOM 1095 C GLY B 14 6.052 -0.684 3.452 1.00 0.00 C ATOM 1096 O GLY B 14 5.758 -0.106 4.498 1.00 0.00 O ATOM 0 H GLY B 14 4.789 -2.130 5.119 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.784 -2.670 3.176 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.263 -2.345 2.369 1.00 0.00 H new ATOM 1100 N GLU B 15 6.582 -0.065 2.398 1.00 0.00 N ATOM 1101 CA GLU B 15 6.860 1.363 2.394 1.00 0.00 C ATOM 1102 C GLU B 15 6.504 1.968 1.040 1.00 0.00 C ATOM 1103 O GLU B 15 6.781 1.381 -0.006 1.00 0.00 O ATOM 1104 CB GLU B 15 8.334 1.633 2.715 1.00 0.00 C ATOM 1105 CG GLU B 15 8.772 1.129 4.082 1.00 0.00 C ATOM 1106 CD GLU B 15 8.921 -0.381 4.141 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.793 -1.035 3.083 1.00 0.00 O ATOM 1108 OE2 GLU B 15 9.179 -0.910 5.242 1.00 0.00 O ATOM 0 H GLU B 15 6.828 -0.540 1.529 1.00 0.00 H new ATOM 0 HA GLU B 15 6.247 1.829 3.165 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.953 1.164 1.951 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.517 2.706 2.659 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.723 1.592 4.346 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.045 1.446 4.829 1.00 0.00 H new ATOM 1115 N THR B 16 5.879 3.137 1.068 1.00 0.00 N ATOM 1116 CA THR B 16 5.469 3.824 -0.147 1.00 0.00 C ATOM 1117 C THR B 16 5.736 5.324 -0.041 1.00 0.00 C ATOM 1118 O THR B 16 6.068 5.823 1.031 1.00 0.00 O ATOM 1119 CB THR B 16 3.990 3.543 -0.427 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.453 4.523 -1.279 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.131 3.488 0.818 1.00 0.00 C ATOM 0 H THR B 16 5.644 3.632 1.928 1.00 0.00 H new ATOM 0 HA THR B 16 6.058 3.446 -0.982 1.00 0.00 H new ATOM 0 HB THR B 16 3.971 2.558 -0.893 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.582 4.223 -1.614 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.097 3.285 0.538 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.491 2.696 1.474 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.185 4.444 1.340 1.00 0.00 H new ATOM 1129 N THR B 17 5.618 6.038 -1.161 1.00 0.00 N ATOM 1130 CA THR B 17 5.880 7.478 -1.172 1.00 0.00 C ATOM 1131 C THR B 17 4.941 8.249 -2.103 1.00 0.00 C ATOM 1132 O THR B 17 4.924 8.023 -3.313 1.00 0.00 O ATOM 1133 CB THR B 17 7.326 7.738 -1.583 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.607 7.135 -2.834 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.336 7.221 -0.582 1.00 0.00 C ATOM 0 H THR B 17 5.346 5.648 -2.063 1.00 0.00 H new ATOM 0 HA THR B 17 5.699 7.838 -0.159 1.00 0.00 H new ATOM 0 HB THR B 17 7.421 8.822 -1.639 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.786 7.088 -3.366 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.344 7.439 -0.936 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.176 7.708 0.380 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.217 6.144 -0.468 1.00 0.00 H new ATOM 1143 N THR B 18 4.189 9.183 -1.525 1.00 0.00 N ATOM 1144 CA THR B 18 3.266 10.025 -2.284 1.00 0.00 C ATOM 1145 C THR B 18 3.818 11.448 -2.358 1.00 0.00 C ATOM 1146 O THR B 18 4.405 11.941 -1.394 1.00 0.00 O ATOM 1147 CB THR B 18 1.887 10.038 -1.619 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.946 10.696 -2.445 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.877 10.727 -0.270 1.00 0.00 C ATOM 0 H THR B 18 4.201 9.377 -0.524 1.00 0.00 H new ATOM 0 HA THR B 18 3.164 9.620 -3.291 1.00 0.00 H new ATOM 0 HB THR B 18 1.624 8.990 -1.472 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.177 10.549 -3.386 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.869 10.700 0.145 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.561 10.214 0.406 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.193 11.763 -0.388 1.00 0.00 H new ATOM 1157 N GLU B 19 3.629 12.107 -3.493 1.00 0.00 N ATOM 1158 CA GLU B 19 4.114 13.473 -3.666 1.00 0.00 C ATOM 1159 C GLU B 19 2.959 14.465 -3.590 1.00 0.00 C ATOM 1160 O GLU B 19 2.060 14.442 -4.430 1.00 0.00 O ATOM 1161 CB GLU B 19 4.838 13.615 -5.005 1.00 0.00 C ATOM 1162 CG GLU B 19 5.389 15.010 -5.254 1.00 0.00 C ATOM 1163 CD GLU B 19 6.104 15.126 -6.585 1.00 0.00 C ATOM 1164 OE1 GLU B 19 5.458 14.894 -7.628 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.311 15.448 -6.584 1.00 0.00 O ATOM 0 H GLU B 19 3.146 11.722 -4.305 1.00 0.00 H new ATOM 0 HA GLU B 19 4.815 13.692 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.658 12.898 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.150 13.356 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.572 15.730 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.078 15.273 -4.452 1.00 0.00 H new ATOM 1172 N ALA B 20 2.978 15.332 -2.580 1.00 0.00 N ATOM 1173 CA ALA B 20 1.915 16.315 -2.413 1.00 0.00 C ATOM 1174 C ALA B 20 2.422 17.604 -1.765 1.00 0.00 C ATOM 1175 O ALA B 20 3.433 17.611 -1.064 1.00 0.00 O ATOM 1176 CB ALA B 20 0.783 15.721 -1.590 1.00 0.00 C ATOM 0 H ALA B 20 3.711 15.373 -1.872 1.00 0.00 H new ATOM 0 HA ALA B 20 1.546 16.574 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.007 16.462 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.384 14.844 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.160 15.430 -0.609 1.00 0.00 H new ATOM 1182 N VAL B 21 1.711 18.691 -2.039 1.00 0.00 N ATOM 1183 CA VAL B 21 2.068 20.015 -1.529 1.00 0.00 C ATOM 1184 C VAL B 21 2.307 20.006 -0.017 1.00 0.00 C ATOM 1185 O VAL B 21 3.026 20.858 0.505 1.00 0.00 O ATOM 1186 CB VAL B 21 0.963 21.038 -1.843 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.408 22.443 -1.469 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.565 20.961 -3.309 1.00 0.00 C ATOM 0 H VAL B 21 0.872 18.683 -2.619 1.00 0.00 H new ATOM 0 HA VAL B 21 2.995 20.297 -2.029 1.00 0.00 H new ATOM 0 HB VAL B 21 0.087 20.794 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.611 23.150 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.631 22.482 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.301 22.705 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.218 21.692 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.433 21.175 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.195 19.961 -3.533 1.00 0.00 H new ATOM 1198 N ASP B 22 1.713 19.045 0.679 1.00 0.00 N ATOM 1199 CA ASP B 22 1.885 18.945 2.125 1.00 0.00 C ATOM 1200 C ASP B 22 1.591 17.538 2.624 1.00 0.00 C ATOM 1201 O ASP B 22 1.091 16.695 1.880 1.00 0.00 O ATOM 1202 CB ASP B 22 0.996 19.958 2.850 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.449 19.908 2.390 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.715 20.284 1.231 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.311 19.489 3.190 1.00 0.00 O ATOM 0 H ASP B 22 1.112 18.329 0.271 1.00 0.00 H new ATOM 0 HA ASP B 22 2.928 19.172 2.346 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.038 19.769 3.923 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.390 20.961 2.688 1.00 0.00 H new ATOM 1210 N ALA B 23 1.902 17.293 3.894 1.00 0.00 N ATOM 1211 CA ALA B 23 1.669 15.991 4.498 1.00 0.00 C ATOM 1212 C ALA B 23 0.195 15.632 4.434 1.00 0.00 C ATOM 1213 O ALA B 23 -0.165 14.490 4.147 1.00 0.00 O ATOM 1214 CB ALA B 23 2.166 15.976 5.936 1.00 0.00 C ATOM 0 H ALA B 23 2.316 17.982 4.522 1.00 0.00 H new ATOM 0 HA ALA B 23 2.227 15.242 3.936 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.984 14.994 6.374 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.235 16.189 5.954 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.636 16.734 6.512 1.00 0.00 H new ATOM 1220 N ALA B 24 -0.655 16.616 4.691 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.092 16.402 4.646 1.00 0.00 C ATOM 1222 C ALA B 24 -2.520 16.061 3.229 1.00 0.00 C ATOM 1223 O ALA B 24 -3.115 15.010 2.994 1.00 0.00 O ATOM 1224 CB ALA B 24 -2.834 17.627 5.159 1.00 0.00 C ATOM 0 H ALA B 24 -0.375 17.567 4.932 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.344 15.564 5.296 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -3.908 17.446 5.117 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.540 17.826 6.190 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.587 18.488 4.539 1.00 0.00 H new ATOM 1230 N THR B 25 -2.186 16.929 2.273 1.00 0.00 N ATOM 1231 CA THR B 25 -2.521 16.663 0.888 1.00 0.00 C ATOM 1232 C THR B 25 -1.989 15.292 0.505 1.00 0.00 C ATOM 1233 O THR B 25 -2.677 14.505 -0.143 1.00 0.00 O ATOM 1234 CB THR B 25 -1.967 17.751 -0.030 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.634 18.075 0.312 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.783 19.027 -0.003 1.00 0.00 C ATOM 0 H THR B 25 -1.692 17.806 2.435 1.00 0.00 H new ATOM 0 HA THR B 25 -3.605 16.670 0.770 1.00 0.00 H new ATOM 0 HB THR B 25 -2.015 17.332 -1.035 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.484 19.033 0.172 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.336 19.759 -0.676 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.803 18.814 -0.324 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.798 19.428 1.010 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.769 15.000 0.947 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.162 13.705 0.685 1.00 0.00 C ATOM 1246 C ALA B 26 -1.000 12.611 1.331 1.00 0.00 C ATOM 1247 O ALA B 26 -1.347 11.620 0.688 1.00 0.00 O ATOM 1248 CB ALA B 26 1.267 13.668 1.206 1.00 0.00 C ATOM 0 H ALA B 26 -0.186 15.641 1.485 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.129 13.537 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.704 12.691 1.000 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.855 14.440 0.710 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.267 13.846 2.281 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.333 12.802 2.608 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.143 11.835 3.337 1.00 0.00 C ATOM 1256 C GLU B 27 -3.474 11.613 2.634 1.00 0.00 C ATOM 1257 O GLU B 27 -3.916 10.477 2.466 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.390 12.308 4.770 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.183 11.319 5.605 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.405 11.800 7.025 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.406 12.028 7.738 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.581 11.949 7.425 1.00 0.00 O ATOM 0 H GLU B 27 -1.053 13.616 3.155 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.596 10.893 3.366 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.431 12.493 5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -2.923 13.259 4.744 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.148 11.141 5.131 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -2.657 10.364 5.627 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.104 12.709 2.216 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.381 12.637 1.519 1.00 0.00 C ATOM 1271 C LYS B 28 -5.217 11.923 0.187 1.00 0.00 C ATOM 1272 O LYS B 28 -6.026 11.070 -0.176 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.953 14.038 1.297 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.227 14.787 2.589 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.154 13.999 3.498 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.417 14.739 4.801 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.003 16.089 4.564 1.00 0.00 N ATOM 0 H LYS B 28 -3.749 13.656 2.349 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.077 12.072 2.138 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.255 14.616 0.691 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.879 13.959 0.728 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.287 14.982 3.105 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.673 15.756 2.363 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.098 13.815 2.986 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.713 13.026 3.713 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.095 14.153 5.421 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.484 14.840 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.763 16.263 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.264 16.812 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.391 16.135 3.600 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.151 12.265 -0.528 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.870 11.642 -1.812 1.00 0.00 C ATOM 1293 C VAL B 29 -3.684 10.145 -1.632 1.00 0.00 C ATOM 1294 O VAL B 29 -4.173 9.346 -2.432 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.611 12.244 -2.468 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.279 11.515 -3.759 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.802 13.730 -2.726 1.00 0.00 C ATOM 0 H VAL B 29 -3.470 12.968 -0.240 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.720 11.832 -2.468 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.774 12.120 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.388 11.955 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -2.096 10.462 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -3.115 11.605 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.903 14.137 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.652 13.877 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.988 14.242 -1.782 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.001 9.772 -0.559 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.780 8.370 -0.256 1.00 0.00 C ATOM 1309 C VAL B 30 -4.126 7.680 -0.061 1.00 0.00 C ATOM 1310 O VAL B 30 -4.349 6.581 -0.563 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.917 8.194 1.006 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.616 6.721 1.250 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.628 8.997 0.891 1.00 0.00 C ATOM 0 H VAL B 30 -2.592 10.421 0.113 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.244 7.919 -1.091 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.478 8.572 1.860 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.005 6.618 2.147 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.550 6.176 1.383 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.077 6.313 0.395 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.032 8.859 1.793 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.061 8.653 0.026 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.867 10.054 0.772 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.037 8.341 0.664 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.370 7.785 0.898 1.00 0.00 C ATOM 1325 C LYS B 31 -6.955 7.276 -0.412 1.00 0.00 C ATOM 1326 O LYS B 31 -7.402 6.135 -0.511 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.320 8.834 1.489 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.835 9.491 2.772 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.362 8.476 3.795 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.260 9.086 5.183 1.00 0.00 C ATOM 1331 NZ LYS B 31 -7.568 9.620 5.656 1.00 0.00 N ATOM 0 H LYS B 31 -4.876 9.252 1.094 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.266 6.967 1.610 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.489 9.610 0.743 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.283 8.362 1.682 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.020 10.177 2.541 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.641 10.086 3.200 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.052 7.633 3.818 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.390 8.084 3.497 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.901 8.333 5.884 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.523 9.889 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.734 9.314 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.554 10.659 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.331 9.260 5.047 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.934 8.145 -1.417 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.451 7.804 -2.737 1.00 0.00 C ATOM 1347 C GLN B 32 -6.743 6.565 -3.270 1.00 0.00 C ATOM 1348 O GLN B 32 -7.352 5.716 -3.922 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.264 8.977 -3.702 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.906 8.756 -5.064 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.425 8.649 -5.016 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -10.029 8.925 -3.859 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -10.058 8.339 -6.026 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.564 9.092 -1.342 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.517 7.592 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.686 9.876 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.198 9.158 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.629 9.578 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.500 7.845 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.564 8.134 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.076 8.287 -5.994 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.451 6.469 -2.972 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.637 5.335 -3.396 1.00 0.00 C ATOM 1364 C PHE B 33 -5.304 4.024 -2.972 1.00 0.00 C ATOM 1365 O PHE B 33 -5.758 3.242 -3.805 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.237 5.463 -2.775 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.209 4.536 -3.352 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.712 4.752 -4.626 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.734 3.452 -2.623 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.762 3.907 -5.164 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.784 2.606 -3.161 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.300 2.836 -4.435 1.00 0.00 C ATOM 0 H PHE B 33 -4.942 7.170 -2.434 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.545 5.330 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.892 6.489 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.312 5.279 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.071 5.590 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.111 3.270 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.381 4.087 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.420 1.766 -2.587 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.441 2.174 -4.858 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.365 3.812 -1.663 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.982 2.613 -1.096 1.00 0.00 C ATOM 1384 C PHE B 34 -7.482 2.601 -1.356 1.00 0.00 C ATOM 1385 O PHE B 34 -8.059 1.560 -1.665 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.664 2.529 0.389 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.186 2.527 0.620 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.385 1.604 -0.027 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.597 3.464 1.445 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.017 1.613 0.148 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.229 3.475 1.630 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.441 2.550 0.978 1.00 0.00 C ATOM 0 H PHE B 34 -4.993 4.458 -0.967 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.568 1.730 -1.584 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.116 3.373 0.910 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.103 1.623 0.808 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.836 0.868 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.212 4.195 1.950 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.400 0.889 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.777 4.206 2.284 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.370 2.560 1.118 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.104 3.768 -1.258 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.531 3.894 -1.519 1.00 0.00 C ATOM 1404 C ASN B 35 -9.858 3.295 -2.885 1.00 0.00 C ATOM 1405 O ASN B 35 -10.901 2.671 -3.079 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.920 5.371 -1.508 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.390 5.592 -1.790 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.942 5.055 -2.749 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.023 6.407 -0.964 1.00 0.00 N ATOM 0 H ASN B 35 -7.643 4.640 -1.000 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.088 3.362 -0.748 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.672 5.800 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.328 5.904 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.011 6.614 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.523 6.829 -0.182 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.944 3.512 -3.823 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.092 3.023 -5.193 1.00 0.00 C ATOM 1418 C ASP B 36 -8.408 1.670 -5.413 1.00 0.00 C ATOM 1419 O ASP B 36 -8.818 0.902 -6.283 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.538 4.052 -6.179 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.297 5.365 -6.134 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.263 5.469 -5.348 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.926 6.291 -6.888 1.00 0.00 O ATOM 0 H ASP B 36 -8.081 4.030 -3.659 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.158 2.877 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.487 4.235 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.583 3.644 -7.189 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.376 1.366 -4.627 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.674 0.088 -4.766 1.00 0.00 C ATOM 1430 C ASN B 37 -7.473 -1.021 -4.099 1.00 0.00 C ATOM 1431 O ASN B 37 -7.596 -2.126 -4.633 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.273 0.148 -4.147 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.362 1.138 -4.842 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.617 1.912 -4.058 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.301 1.187 -6.070 1.00 0.00 N flip ATOM 0 H ASN B 37 -7.010 1.977 -3.897 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.571 -0.119 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.358 0.418 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.821 -0.843 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.890 0.575 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.661 1.839 -6.523 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.008 -0.690 -2.925 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.812 -1.601 -2.125 1.00 0.00 C ATOM 1444 C GLY B 38 -9.153 -2.930 -2.782 1.00 0.00 C ATOM 1445 O GLY B 38 -8.282 -3.774 -2.991 1.00 0.00 O ATOM 0 H GLY B 38 -7.892 0.230 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.282 -1.802 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.742 -1.098 -1.860 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.443 -3.140 -3.019 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.931 -4.405 -3.562 1.00 0.00 C ATOM 1451 C VAL B 39 -10.878 -4.540 -5.086 1.00 0.00 C ATOM 1452 O VAL B 39 -10.333 -5.521 -5.593 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.375 -4.667 -3.088 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.923 -5.954 -3.691 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.438 -4.717 -1.570 1.00 0.00 C ATOM 0 H VAL B 39 -11.173 -2.449 -2.843 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.236 -5.150 -3.174 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.999 -3.842 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.942 -6.115 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.921 -5.876 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.298 -6.793 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.465 -4.903 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.796 -5.519 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.099 -3.766 -1.160 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.484 -3.618 -5.822 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.531 -3.733 -7.284 1.00 0.00 C ATOM 1467 C ASP B 40 -10.352 -3.082 -8.004 1.00 0.00 C ATOM 1468 O ASP B 40 -10.477 -2.697 -9.168 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.836 -3.132 -7.808 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.059 -3.843 -7.265 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.196 -5.059 -7.510 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.879 -3.183 -6.591 1.00 0.00 O ATOM 0 H ASP B 40 -11.946 -2.791 -5.443 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.472 -4.800 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.882 -2.077 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.844 -3.181 -8.897 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.211 -2.971 -7.345 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.057 -2.377 -7.998 1.00 0.00 C ATOM 1479 C GLY B 41 -7.510 -3.277 -9.094 1.00 0.00 C ATOM 1480 O GLY B 41 -7.804 -4.471 -9.119 1.00 0.00 O ATOM 0 H GLY B 41 -9.060 -3.275 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.335 -1.413 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.278 -2.187 -7.260 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.715 -2.712 -10.002 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.132 -3.492 -11.095 1.00 0.00 C ATOM 1486 C GLU B 42 -4.804 -4.107 -10.660 1.00 0.00 C ATOM 1487 O GLU B 42 -3.766 -3.447 -10.695 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.910 -2.607 -12.324 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.178 -1.959 -12.851 1.00 0.00 C ATOM 1490 CD GLU B 42 -6.920 -1.073 -14.055 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.428 -1.592 -15.078 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.209 0.139 -13.973 1.00 0.00 O ATOM 0 H GLU B 42 -6.461 -1.724 -10.004 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.827 -4.291 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.192 -1.826 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.464 -3.208 -13.117 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.893 -2.735 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.636 -1.366 -12.059 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.847 -5.362 -10.221 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.645 -6.042 -9.746 1.00 0.00 C ATOM 1501 C TRP B 43 -3.027 -6.958 -10.798 1.00 0.00 C ATOM 1502 O TRP B 43 -3.640 -7.936 -11.225 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.970 -6.878 -8.511 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.528 -6.094 -7.368 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.440 -5.085 -7.425 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.208 -6.267 -5.991 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.715 -4.622 -6.161 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.967 -5.334 -5.263 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.352 -7.125 -5.306 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.895 -5.241 -3.878 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.276 -7.031 -3.935 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.046 -6.096 -3.231 1.00 0.00 C ATOM 0 H TRP B 43 -5.696 -5.926 -10.184 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.923 -5.261 -9.511 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.685 -7.653 -8.789 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.063 -7.385 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.883 -4.703 -8.333 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.368 -3.873 -5.930 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.758 -7.851 -5.841 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.487 -4.521 -3.333 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.612 -7.688 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.968 -6.049 -2.155 1.00 0.00 H new ATOM 1523 N THR B 44 -1.789 -6.660 -11.173 1.00 0.00 N ATOM 1524 CA THR B 44 -1.058 -7.477 -12.131 1.00 0.00 C ATOM 1525 C THR B 44 0.083 -8.188 -11.406 1.00 0.00 C ATOM 1526 O THR B 44 0.738 -7.594 -10.549 1.00 0.00 O ATOM 1527 CB THR B 44 -0.519 -6.621 -13.280 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.319 -5.592 -12.789 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.611 -5.970 -14.103 1.00 0.00 C ATOM 0 H THR B 44 -1.269 -5.854 -10.826 1.00 0.00 H new ATOM 0 HA THR B 44 -1.732 -8.217 -12.563 1.00 0.00 H new ATOM 0 HB THR B 44 0.035 -7.310 -13.918 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.130 -5.986 -12.406 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.162 -5.378 -14.900 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.247 -6.741 -14.538 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.211 -5.322 -13.464 1.00 0.00 H new ATOM 1537 N TYR B 45 0.306 -9.458 -11.723 1.00 0.00 N ATOM 1538 CA TYR B 45 1.358 -10.227 -11.061 1.00 0.00 C ATOM 1539 C TYR B 45 2.516 -10.529 -12.007 1.00 0.00 C ATOM 1540 O TYR B 45 2.313 -10.771 -13.197 1.00 0.00 O ATOM 1541 CB TYR B 45 0.780 -11.532 -10.505 1.00 0.00 C ATOM 1542 CG TYR B 45 1.748 -12.319 -9.650 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.650 -11.676 -8.811 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.754 -13.708 -9.676 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.531 -12.394 -8.025 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.633 -14.432 -8.893 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.518 -13.772 -8.070 1.00 0.00 C ATOM 1548 OH TYR B 45 4.393 -14.490 -7.289 1.00 0.00 O ATOM 0 H TYR B 45 -0.221 -9.975 -12.427 1.00 0.00 H new ATOM 0 HA TYR B 45 1.748 -9.623 -10.242 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.106 -11.302 -9.914 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.455 -12.157 -11.337 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.663 -10.597 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR B 45 1.061 -14.230 -10.318 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.226 -11.879 -7.379 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.626 -15.511 -8.926 1.00 0.00 H new ATOM 0 HH TYR B 45 4.253 -15.449 -7.438 1.00 0.00 H new ATOM 1558 N ASP B 46 3.730 -10.525 -11.462 1.00 0.00 N ATOM 1559 CA ASP B 46 4.928 -10.807 -12.242 1.00 0.00 C ATOM 1560 C ASP B 46 5.700 -11.975 -11.636 1.00 0.00 C ATOM 1561 O ASP B 46 6.663 -11.777 -10.893 1.00 0.00 O ATOM 1562 CB ASP B 46 5.821 -9.566 -12.315 1.00 0.00 C ATOM 1563 CG ASP B 46 7.073 -9.796 -13.137 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.867 -10.690 -12.774 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.260 -9.085 -14.147 1.00 0.00 O ATOM 0 H ASP B 46 3.908 -10.328 -10.477 1.00 0.00 H new ATOM 0 HA ASP B 46 4.623 -11.080 -13.252 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.255 -8.740 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.103 -9.266 -11.306 1.00 0.00 H new ATOM 1570 N ASP B 47 5.267 -13.194 -11.950 1.00 0.00 N ATOM 1571 CA ASP B 47 5.909 -14.402 -11.433 1.00 0.00 C ATOM 1572 C ASP B 47 7.430 -14.315 -11.538 1.00 0.00 C ATOM 1573 O ASP B 47 8.154 -14.832 -10.685 1.00 0.00 O ATOM 1574 CB ASP B 47 5.413 -15.631 -12.200 1.00 0.00 C ATOM 1575 CG ASP B 47 3.913 -15.821 -12.087 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.424 -16.014 -10.955 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.229 -15.773 -13.131 1.00 0.00 O ATOM 0 H ASP B 47 4.471 -13.372 -12.562 1.00 0.00 H new ATOM 0 HA ASP B 47 5.643 -14.494 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.685 -15.533 -13.251 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.918 -16.520 -11.821 1.00 0.00 H new ATOM 1582 N ALA B 48 7.907 -13.673 -12.598 1.00 0.00 N ATOM 1583 CA ALA B 48 9.339 -13.529 -12.835 1.00 0.00 C ATOM 1584 C ALA B 48 10.079 -13.008 -11.606 1.00 0.00 C ATOM 1585 O ALA B 48 11.236 -13.362 -11.376 1.00 0.00 O ATOM 1586 CB ALA B 48 9.581 -12.610 -14.024 1.00 0.00 C ATOM 0 H ALA B 48 7.319 -13.241 -13.311 1.00 0.00 H new ATOM 0 HA ALA B 48 9.735 -14.521 -13.054 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.653 -12.509 -14.193 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.112 -13.033 -14.912 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.152 -11.629 -13.819 1.00 0.00 H new ATOM 1592 N THR B 49 9.421 -12.161 -10.822 1.00 0.00 N ATOM 1593 CA THR B 49 10.047 -11.595 -9.628 1.00 0.00 C ATOM 1594 C THR B 49 9.196 -11.808 -8.377 1.00 0.00 C ATOM 1595 O THR B 49 9.438 -11.178 -7.348 1.00 0.00 O ATOM 1596 CB THR B 49 10.306 -10.102 -9.828 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.097 -9.412 -10.087 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.258 -9.806 -10.967 1.00 0.00 C ATOM 0 H THR B 49 8.463 -11.852 -10.987 1.00 0.00 H new ATOM 0 HA THR B 49 10.992 -12.117 -9.479 1.00 0.00 H new ATOM 0 HB THR B 49 10.762 -9.762 -8.898 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.718 -9.724 -10.935 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.398 -8.728 -11.054 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.219 -10.282 -10.771 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.844 -10.194 -11.898 1.00 0.00 H new ATOM 1606 N LYS B 50 8.205 -12.693 -8.458 1.00 0.00 N ATOM 1607 CA LYS B 50 7.345 -12.963 -7.308 1.00 0.00 C ATOM 1608 C LYS B 50 6.800 -11.660 -6.727 1.00 0.00 C ATOM 1609 O LYS B 50 6.673 -11.515 -5.509 1.00 0.00 O ATOM 1610 CB LYS B 50 8.139 -13.707 -6.231 1.00 0.00 C ATOM 1611 CG LYS B 50 8.542 -15.120 -6.621 1.00 0.00 C ATOM 1612 CD LYS B 50 7.495 -16.140 -6.204 1.00 0.00 C ATOM 1613 CE LYS B 50 7.321 -16.170 -4.691 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.626 -16.319 -3.987 1.00 0.00 N ATOM 0 H LYS B 50 7.979 -13.229 -9.296 1.00 0.00 H new ATOM 0 HA LYS B 50 6.508 -13.578 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.038 -13.136 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.543 -13.749 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.690 -15.171 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.496 -15.367 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.543 -15.900 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.787 -17.129 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.834 -15.252 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.664 -16.995 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.460 -16.420 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.118 -17.163 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.212 -15.478 -4.160 1.00 0.00 H new ATOM 1628 N THR B 51 6.506 -10.703 -7.602 1.00 0.00 N ATOM 1629 CA THR B 51 6.004 -9.407 -7.163 1.00 0.00 C ATOM 1630 C THR B 51 4.735 -9.000 -7.908 1.00 0.00 C ATOM 1631 O THR B 51 4.590 -9.255 -9.104 1.00 0.00 O ATOM 1632 CB THR B 51 7.086 -8.342 -7.358 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.240 -8.660 -6.600 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.643 -6.952 -6.959 1.00 0.00 C ATOM 0 H THR B 51 6.606 -10.800 -8.612 1.00 0.00 H new ATOM 0 HA THR B 51 5.750 -9.491 -6.106 1.00 0.00 H new ATOM 0 HB THR B 51 7.300 -8.341 -8.427 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.627 -9.498 -6.929 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.459 -6.249 -7.124 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.783 -6.657 -7.561 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.367 -6.947 -5.905 1.00 0.00 H new ATOM 1642 N PHE B 52 3.825 -8.355 -7.183 1.00 0.00 N ATOM 1643 CA PHE B 52 2.564 -7.890 -7.756 1.00 0.00 C ATOM 1644 C PHE B 52 2.559 -6.366 -7.850 1.00 0.00 C ATOM 1645 O PHE B 52 3.175 -5.689 -7.032 1.00 0.00 O ATOM 1646 CB PHE B 52 1.383 -8.339 -6.889 1.00 0.00 C ATOM 1647 CG PHE B 52 1.388 -9.800 -6.534 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.373 -10.324 -5.709 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.400 -10.647 -7.010 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.372 -11.663 -5.368 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.395 -11.987 -6.672 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.381 -12.496 -5.851 1.00 0.00 C ATOM 0 H PHE B 52 3.938 -8.141 -6.192 1.00 0.00 H new ATOM 0 HA PHE B 52 2.465 -8.320 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.382 -7.755 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.456 -8.109 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.150 -9.677 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.375 -10.256 -7.652 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.145 -12.058 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.381 -12.636 -7.050 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.378 -13.543 -5.587 1.00 0.00 H new ATOM 1662 N THR B 53 1.854 -5.825 -8.837 1.00 0.00 N ATOM 1663 CA THR B 53 1.770 -4.379 -9.007 1.00 0.00 C ATOM 1664 C THR B 53 0.323 -3.903 -8.962 1.00 0.00 C ATOM 1665 O THR B 53 -0.532 -4.406 -9.693 1.00 0.00 O ATOM 1666 CB THR B 53 2.427 -3.940 -10.316 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.110 -4.835 -11.366 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.933 -3.834 -10.227 1.00 0.00 C ATOM 0 H THR B 53 1.334 -6.364 -9.530 1.00 0.00 H new ATOM 0 HA THR B 53 2.310 -3.921 -8.178 1.00 0.00 H new ATOM 0 HB THR B 53 2.027 -2.947 -10.519 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.227 -4.614 -11.729 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.333 -3.518 -11.190 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.202 -3.102 -9.465 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.351 -4.805 -9.961 1.00 0.00 H new ATOM 1676 N VAL B 54 0.061 -2.921 -8.108 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.276 -2.358 -7.967 1.00 0.00 C ATOM 1678 C VAL B 54 -1.342 -0.981 -8.624 1.00 0.00 C ATOM 1679 O VAL B 54 -0.795 -0.009 -8.103 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.694 -2.251 -6.484 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.083 -1.640 -6.358 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.650 -3.619 -5.821 1.00 0.00 C ATOM 0 H VAL B 54 0.761 -2.496 -7.500 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.972 -3.032 -8.467 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.987 -1.596 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.357 -1.574 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.083 -0.642 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.805 -2.266 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.947 -3.527 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.334 -4.294 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.637 -4.018 -5.876 1.00 0.00 H new ATOM 1692 N THR B 55 -2.001 -0.912 -9.776 1.00 0.00 N ATOM 1693 CA THR B 55 -2.122 0.344 -10.509 1.00 0.00 C ATOM 1694 C THR B 55 -3.474 1.004 -10.265 1.00 0.00 C ATOM 1695 O THR B 55 -4.515 0.463 -10.635 1.00 0.00 O ATOM 1696 CB THR B 55 -1.917 0.112 -12.006 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.697 -0.569 -12.245 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.885 1.395 -12.807 1.00 0.00 C ATOM 0 H THR B 55 -2.458 -1.708 -10.221 1.00 0.00 H new ATOM 0 HA THR B 55 -1.346 1.015 -10.142 1.00 0.00 H new ATOM 0 HB THR B 55 -2.772 -0.482 -12.328 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.584 -0.710 -13.208 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.737 1.162 -13.861 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.829 1.926 -12.682 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.066 2.023 -12.456 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.450 2.178 -9.637 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.674 2.911 -9.342 1.00 0.00 C ATOM 1708 C GLU B 56 -5.310 3.435 -10.625 1.00 0.00 C ATOM 1709 O GLU B 56 -6.483 3.092 -10.885 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.372 4.070 -8.385 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.613 4.768 -7.842 1.00 0.00 C ATOM 1712 CD GLU B 56 -6.407 5.491 -8.913 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.842 6.396 -9.561 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -7.594 5.151 -9.104 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.631 4.183 -11.358 1.00 0.00 O ATOM 0 H GLU B 56 -2.596 2.640 -9.324 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.380 2.232 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.785 3.692 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.753 4.803 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -6.254 4.031 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.314 5.483 -7.075 1.00 0.00 H new TER 1722 GLU B 56