USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=40 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: B 49 THR OG1 : rot -62:sc= 0.793 USER MOD Set 1.2: B 51 THR OG1 : rot 116:sc= 0.321 USER MOD Set 2.1: B 44 THR OG1 : rot -21:sc= 1.33 USER MOD Set 2.2: B 53 THR OG1 : rot 99:sc= 1.13 USER MOD Set 3.1: B 8 ASN : amide:sc= -2.6! C(o=-4.7!,f=-5!) USER MOD Set 3.2: B 13 LYS NZ :NH3+ 143:sc= -2.09! (180deg=-0.191) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= -0.638 USER MOD Set 4.2: A 50 LYS NZ :NH3+ 171:sc= -6.23! (180deg=-7.39!) USER MOD Set 4.3: B 3 TYR OH : rot -51:sc= -0.39 USER MOD Set 5.1: A 49 THR OG1 : rot -60:sc= 0.803 USER MOD Set 5.2: A 51 THR OG1 : rot 114:sc= 0.321 USER MOD Set 6.1: A 44 THR OG1 : rot -17:sc= 1.48 USER MOD Set 6.2: A 53 THR OG1 : rot 97:sc= 1.16 USER MOD Set 7.1: A 8 ASN : amide:sc= -2.61! C(o=-4.7!,f=-5.3!) USER MOD Set 7.2: A 13 LYS NZ :NH3+ 155:sc= -2.07! (180deg=-0.201) USER MOD Set 8.1: A 3 TYR OH : rot -51:sc= -0.432 USER MOD Set 8.2: B 45 TYR OH : rot 180:sc= -0.675 USER MOD Set 8.3: B 50 LYS NZ :NH3+ 175:sc= -6.17! (180deg=-7.27!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0858 (180deg=-0.548) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.23 (180deg=-0.167) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0516 (180deg=-0.281) USER MOD Single : A 10 LYS NZ :NH3+ -106:sc= -2.92! (180deg=-4.26!) USER MOD Single : A 11 THR OG1 : rot -138:sc= -2.1! USER MOD Single : A 16 THR OG1 : rot 150:sc= -5.61! USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.306 USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.847 USER MOD Single : A 25 THR OG1 : rot -19:sc= -0.585! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -2.51! (180deg=-5.52!) USER MOD Single : A 32 GLN :FLIP amide:sc= -3.02! F(o=-4.4,f=-3!) USER MOD Single : A 35 ASN : amide:sc= -3.78 X(o=-3.8,f=-4.2!) USER MOD Single : A 37 ASN : amide:sc= -4.19! X(o=-4.2!,f=-3.7) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -160:sc= -0.0941 (180deg=-0.554) USER MOD Single : B 1 MET N :NH3+ -120:sc= 1.22 (180deg=-0.169) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.285) USER MOD Single : B 10 LYS NZ :NH3+ 133:sc= -2.91! (180deg=-4.29!) USER MOD Single : B 11 THR OG1 : rot -138:sc= -2.1! USER MOD Single : B 16 THR OG1 : rot 179:sc= -5.57! USER MOD Single : B 17 THR OG1 : rot 41:sc= 0.297 USER MOD Single : B 18 THR OG1 : rot 35:sc= 0.841 USER MOD Single : B 25 THR OG1 : rot -21:sc= -0.487! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -136:sc= -2.49! (180deg=-5.51!) USER MOD Single : B 32 GLN :FLIP amide:sc= -3.05! F(o=-4.5,f=-3!) USER MOD Single : B 35 ASN : amide:sc= -3.76! C(o=-3.8!,f=-3.9!) USER MOD Single : B 37 ASN : amide:sc= -4.23! X(o=-4.2!,f=-3.8) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.936 -18.734 1.999 1.00 0.00 N ATOM 2 CA MET A 1 6.585 -17.930 0.930 1.00 0.00 C ATOM 3 C MET A 1 6.313 -16.442 1.115 1.00 0.00 C ATOM 4 O MET A 1 5.198 -16.039 1.448 1.00 0.00 O ATOM 5 CB MET A 1 6.056 -18.401 -0.428 1.00 0.00 C ATOM 6 CG MET A 1 6.645 -17.650 -1.613 1.00 0.00 C ATOM 7 SD MET A 1 6.133 -18.345 -3.195 1.00 0.00 S ATOM 8 CE MET A 1 6.969 -19.928 -3.168 1.00 0.00 C ATOM 0 H1 MET A 1 6.661 -19.263 2.524 1.00 0.00 H new ATOM 0 H2 MET A 1 5.430 -18.101 2.651 1.00 0.00 H new ATOM 0 H3 MET A 1 5.262 -19.401 1.571 1.00 0.00 H new ATOM 0 HA MET A 1 7.664 -18.074 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.270 -19.464 -0.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.972 -18.290 -0.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.341 -16.604 -1.564 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.733 -17.669 -1.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.050 -20.314 -4.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.966 -19.806 -2.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.400 -20.629 -2.557 1.00 0.00 H new ATOM 20 N GLN A 2 7.336 -15.631 0.876 1.00 0.00 N ATOM 21 CA GLN A 2 7.213 -14.186 0.996 1.00 0.00 C ATOM 22 C GLN A 2 7.053 -13.564 -0.383 1.00 0.00 C ATOM 23 O GLN A 2 7.705 -13.981 -1.341 1.00 0.00 O ATOM 24 CB GLN A 2 8.440 -13.599 1.698 1.00 0.00 C ATOM 25 CG GLN A 2 8.369 -12.093 1.887 1.00 0.00 C ATOM 26 CD GLN A 2 9.587 -11.534 2.598 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.888 -11.914 3.729 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.294 -10.626 1.935 1.00 0.00 N ATOM 0 H GLN A 2 8.263 -15.952 0.597 1.00 0.00 H new ATOM 0 HA GLN A 2 6.331 -13.959 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.553 -14.074 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.331 -13.843 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.270 -11.613 0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.474 -11.844 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.007 -10.341 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.124 -10.214 2.362 1.00 0.00 H new ATOM 37 N TYR A 3 6.180 -12.572 -0.485 1.00 0.00 N ATOM 38 CA TYR A 3 5.938 -11.908 -1.757 1.00 0.00 C ATOM 39 C TYR A 3 6.243 -10.421 -1.675 1.00 0.00 C ATOM 40 O TYR A 3 5.967 -9.772 -0.667 1.00 0.00 O ATOM 41 CB TYR A 3 4.490 -12.123 -2.200 1.00 0.00 C ATOM 42 CG TYR A 3 4.196 -13.544 -2.615 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.100 -14.561 -1.672 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.026 -13.870 -3.952 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.839 -15.864 -2.054 1.00 0.00 C ATOM 46 CE2 TYR A 3 3.764 -15.166 -4.342 1.00 0.00 C ATOM 47 CZ TYR A 3 3.673 -16.162 -3.390 1.00 0.00 C ATOM 48 OH TYR A 3 3.415 -17.460 -3.775 1.00 0.00 O ATOM 0 H TYR A 3 5.630 -12.211 0.294 1.00 0.00 H new ATOM 0 HA TYR A 3 6.608 -12.349 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.823 -11.845 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.270 -11.456 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.231 -14.330 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.100 -13.095 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.766 -16.644 -1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.631 -15.401 -5.388 1.00 0.00 H new ATOM 0 HH TYR A 3 4.078 -18.059 -3.372 1.00 0.00 H new ATOM 58 N LYS A 4 6.797 -9.887 -2.755 1.00 0.00 N ATOM 59 CA LYS A 4 7.126 -8.474 -2.829 1.00 0.00 C ATOM 60 C LYS A 4 6.033 -7.741 -3.595 1.00 0.00 C ATOM 61 O LYS A 4 5.953 -7.834 -4.814 1.00 0.00 O ATOM 62 CB LYS A 4 8.477 -8.283 -3.523 1.00 0.00 C ATOM 63 CG LYS A 4 8.978 -6.852 -3.489 1.00 0.00 C ATOM 64 CD LYS A 4 9.159 -6.369 -2.061 1.00 0.00 C ATOM 65 CE LYS A 4 9.653 -4.938 -2.023 1.00 0.00 C ATOM 66 NZ LYS A 4 10.969 -4.787 -2.701 1.00 0.00 N ATOM 0 H LYS A 4 7.028 -10.417 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 4 7.195 -8.066 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.215 -8.929 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.392 -8.605 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.926 -6.783 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.272 -6.204 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.212 -6.443 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.868 -7.015 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.921 -4.288 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.739 -4.611 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.383 -3.866 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.608 -5.547 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.837 -4.842 -3.731 1.00 0.00 H new ATOM 80 N VAL A 5 5.177 -7.028 -2.878 1.00 0.00 N ATOM 81 CA VAL A 5 4.084 -6.314 -3.512 1.00 0.00 C ATOM 82 C VAL A 5 4.449 -4.863 -3.793 1.00 0.00 C ATOM 83 O VAL A 5 4.813 -4.110 -2.893 1.00 0.00 O ATOM 84 CB VAL A 5 2.802 -6.377 -2.659 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.676 -5.592 -3.316 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.388 -7.822 -2.431 1.00 0.00 C ATOM 0 H VAL A 5 5.219 -6.930 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 5 3.894 -6.810 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 5 3.011 -5.921 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.781 -5.651 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.974 -4.549 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.464 -6.013 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.481 -7.850 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.199 -8.302 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.186 -8.352 -1.911 1.00 0.00 H new ATOM 96 N ILE A 6 4.335 -4.484 -5.056 1.00 0.00 N ATOM 97 CA ILE A 6 4.630 -3.131 -5.488 1.00 0.00 C ATOM 98 C ILE A 6 3.344 -2.350 -5.713 1.00 0.00 C ATOM 99 O ILE A 6 2.473 -2.770 -6.476 1.00 0.00 O ATOM 100 CB ILE A 6 5.477 -3.129 -6.778 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.851 -3.739 -6.490 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.607 -1.719 -7.342 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.861 -3.547 -7.603 1.00 0.00 C ATOM 0 H ILE A 6 4.036 -5.106 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 6 5.206 -2.649 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 6 4.976 -3.735 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.247 -3.299 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.731 -4.806 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.208 -1.745 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.617 -1.327 -7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.089 -1.076 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.807 -4.008 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.489 -4.013 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.014 -2.482 -7.776 1.00 0.00 H new ATOM 115 N LEU A 7 3.234 -1.211 -5.045 1.00 0.00 N ATOM 116 CA LEU A 7 2.058 -0.365 -5.169 1.00 0.00 C ATOM 117 C LEU A 7 2.377 0.826 -6.064 1.00 0.00 C ATOM 118 O LEU A 7 2.752 1.895 -5.585 1.00 0.00 O ATOM 119 CB LEU A 7 1.605 0.104 -3.783 1.00 0.00 C ATOM 120 CG LEU A 7 1.693 -0.958 -2.687 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.145 -0.415 -1.379 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.948 -2.216 -3.105 1.00 0.00 C ATOM 0 H LEU A 7 3.947 -0.852 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 7 1.246 -0.934 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.211 0.961 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.574 0.451 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 7 2.741 -1.218 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.215 -1.183 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.725 0.457 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.102 -0.129 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.021 -2.962 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.100 -1.976 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.389 -2.613 -4.019 1.00 0.00 H new ATOM 134 N ASN A 8 2.258 0.619 -7.373 1.00 0.00 N ATOM 135 CA ASN A 8 2.566 1.655 -8.352 1.00 0.00 C ATOM 136 C ASN A 8 1.336 2.485 -8.705 1.00 0.00 C ATOM 137 O ASN A 8 0.443 2.019 -9.406 1.00 0.00 O ATOM 138 CB ASN A 8 3.121 0.995 -9.616 1.00 0.00 C ATOM 139 CG ASN A 8 3.673 1.991 -10.613 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.013 2.967 -10.970 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.887 1.731 -11.086 1.00 0.00 N ATOM 0 H ASN A 8 1.948 -0.263 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 8 3.304 2.329 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.908 0.295 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.331 0.414 -10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.310 2.353 -11.775 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.396 0.909 -10.760 1.00 0.00 H new ATOM 148 N GLY A 9 1.297 3.722 -8.217 1.00 0.00 N ATOM 149 CA GLY A 9 0.170 4.591 -8.502 1.00 0.00 C ATOM 150 C GLY A 9 0.567 5.825 -9.281 1.00 0.00 C ATOM 151 O GLY A 9 1.681 5.912 -9.800 1.00 0.00 O ATOM 0 H GLY A 9 2.023 4.136 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.579 4.035 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.297 4.893 -7.565 1.00 0.00 H new ATOM 155 N LYS A 10 -0.346 6.786 -9.354 1.00 0.00 N ATOM 156 CA LYS A 10 -0.087 8.028 -10.065 1.00 0.00 C ATOM 157 C LYS A 10 0.690 8.991 -9.174 1.00 0.00 C ATOM 158 O LYS A 10 1.784 9.435 -9.518 1.00 0.00 O ATOM 159 CB LYS A 10 -1.406 8.673 -10.502 1.00 0.00 C ATOM 160 CG LYS A 10 -2.263 7.791 -11.400 1.00 0.00 C ATOM 161 CD LYS A 10 -1.882 7.907 -12.872 1.00 0.00 C ATOM 162 CE LYS A 10 -0.449 7.475 -13.139 1.00 0.00 C ATOM 163 NZ LYS A 10 0.518 8.598 -12.977 1.00 0.00 N ATOM 0 H LYS A 10 -1.271 6.727 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 10 0.508 7.805 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.981 8.936 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.187 9.603 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.165 6.753 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.311 8.064 -11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.559 7.296 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.014 8.939 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.182 6.667 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.374 7.077 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.843 8.914 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.053 9.389 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.333 8.276 -12.418 1.00 0.00 H new ATOM 177 N THR A 11 0.105 9.306 -8.022 1.00 0.00 N ATOM 178 CA THR A 11 0.711 10.208 -7.062 1.00 0.00 C ATOM 179 C THR A 11 1.375 9.436 -5.930 1.00 0.00 C ATOM 180 O THR A 11 1.934 10.030 -5.007 1.00 0.00 O ATOM 181 CB THR A 11 -0.361 11.132 -6.493 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.560 10.414 -6.265 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.685 12.310 -7.386 1.00 0.00 C ATOM 0 H THR A 11 -0.802 8.940 -7.733 1.00 0.00 H new ATOM 0 HA THR A 11 1.477 10.794 -7.570 1.00 0.00 H new ATOM 0 HB THR A 11 0.054 11.520 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.325 10.955 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.455 12.922 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.213 12.909 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.046 11.948 -8.349 1.00 0.00 H new ATOM 191 N LEU A 12 1.304 8.110 -5.996 1.00 0.00 N ATOM 192 CA LEU A 12 1.894 7.279 -4.962 1.00 0.00 C ATOM 193 C LEU A 12 2.589 6.058 -5.551 1.00 0.00 C ATOM 194 O LEU A 12 2.076 5.406 -6.457 1.00 0.00 O ATOM 195 CB LEU A 12 0.819 6.851 -3.958 1.00 0.00 C ATOM 196 CG LEU A 12 1.314 5.987 -2.805 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.581 6.577 -2.216 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.236 5.852 -1.738 1.00 0.00 C ATOM 0 H LEU A 12 0.847 7.595 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 12 2.651 7.870 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.353 7.746 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.042 6.304 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 12 1.541 4.991 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.925 5.951 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.353 6.623 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.377 7.582 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.607 5.232 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.022 6.839 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.650 5.388 -2.172 1.00 0.00 H new ATOM 210 N LYS A 13 3.761 5.754 -5.005 1.00 0.00 N ATOM 211 CA LYS A 13 4.550 4.607 -5.439 1.00 0.00 C ATOM 212 C LYS A 13 5.272 4.009 -4.239 1.00 0.00 C ATOM 213 O LYS A 13 5.641 4.735 -3.319 1.00 0.00 O ATOM 214 CB LYS A 13 5.557 5.027 -6.511 1.00 0.00 C ATOM 215 CG LYS A 13 4.912 5.655 -7.735 1.00 0.00 C ATOM 216 CD LYS A 13 5.954 6.098 -8.749 1.00 0.00 C ATOM 217 CE LYS A 13 6.795 4.928 -9.232 1.00 0.00 C ATOM 218 NZ LYS A 13 5.965 3.882 -9.890 1.00 0.00 N ATOM 0 H LYS A 13 4.190 6.293 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 13 3.887 3.857 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.263 5.736 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.132 4.154 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.234 4.938 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.311 6.512 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.459 6.567 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.601 6.852 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.549 5.287 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.328 4.491 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.553 3.340 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.578 3.241 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.183 4.333 -10.407 1.00 0.00 H new ATOM 232 N GLY A 14 5.474 2.694 -4.231 1.00 0.00 N ATOM 233 CA GLY A 14 6.152 2.086 -3.102 1.00 0.00 C ATOM 234 C GLY A 14 6.464 0.614 -3.273 1.00 0.00 C ATOM 235 O GLY A 14 6.270 0.038 -4.345 1.00 0.00 O ATOM 0 H GLY A 14 5.187 2.051 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.083 2.623 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.534 2.212 -2.213 1.00 0.00 H new ATOM 239 N GLU A 15 6.957 0.017 -2.192 1.00 0.00 N ATOM 240 CA GLU A 15 7.322 -1.394 -2.162 1.00 0.00 C ATOM 241 C GLU A 15 6.874 -2.022 -0.844 1.00 0.00 C ATOM 242 O GLU A 15 7.201 -1.522 0.233 1.00 0.00 O ATOM 243 CB GLU A 15 8.839 -1.534 -2.325 1.00 0.00 C ATOM 244 CG GLU A 15 9.371 -0.968 -3.634 1.00 0.00 C ATOM 245 CD GLU A 15 8.913 -1.754 -4.843 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.273 -2.946 -4.945 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.193 -1.181 -5.686 1.00 0.00 O ATOM 0 H GLU A 15 7.115 0.501 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 15 6.825 -1.912 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.332 -1.029 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.106 -2.589 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.046 0.067 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.461 -0.959 -3.604 1.00 0.00 H new ATOM 254 N THR A 16 6.120 -3.113 -0.931 1.00 0.00 N ATOM 255 CA THR A 16 5.621 -3.798 0.257 1.00 0.00 C ATOM 256 C THR A 16 5.815 -5.309 0.148 1.00 0.00 C ATOM 257 O THR A 16 6.140 -5.821 -0.922 1.00 0.00 O ATOM 258 CB THR A 16 4.146 -3.447 0.488 1.00 0.00 C ATOM 259 OG1 THR A 16 3.529 -4.418 1.290 1.00 0.00 O ATOM 260 CG2 THR A 16 3.338 -3.307 -0.784 1.00 0.00 C ATOM 0 H THR A 16 5.841 -3.543 -1.813 1.00 0.00 H new ATOM 0 HA THR A 16 6.198 -3.457 1.117 1.00 0.00 H new ATOM 0 HB THR A 16 4.160 -2.474 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.812 -4.003 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.307 -3.058 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.763 -2.515 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.361 -4.247 -1.335 1.00 0.00 H new ATOM 268 N THR A 17 5.647 -6.020 1.265 1.00 0.00 N ATOM 269 CA THR A 17 5.836 -7.469 1.276 1.00 0.00 C ATOM 270 C THR A 17 4.848 -8.197 2.192 1.00 0.00 C ATOM 271 O THR A 17 4.834 -7.988 3.405 1.00 0.00 O ATOM 272 CB THR A 17 7.261 -7.803 1.714 1.00 0.00 C ATOM 273 OG1 THR A 17 7.542 -7.233 2.981 1.00 0.00 O ATOM 274 CG2 THR A 17 8.316 -7.318 0.747 1.00 0.00 C ATOM 0 H THR A 17 5.383 -5.619 2.165 1.00 0.00 H new ATOM 0 HA THR A 17 5.652 -7.814 0.258 1.00 0.00 H new ATOM 0 HB THR A 17 7.303 -8.892 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.760 -7.331 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.304 -7.589 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.157 -7.780 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.250 -6.234 0.650 1.00 0.00 H new ATOM 282 N THR A 18 4.045 -9.074 1.593 1.00 0.00 N ATOM 283 CA THR A 18 3.067 -9.874 2.333 1.00 0.00 C ATOM 284 C THR A 18 3.518 -11.337 2.376 1.00 0.00 C ATOM 285 O THR A 18 4.096 -11.843 1.413 1.00 0.00 O ATOM 286 CB THR A 18 1.693 -9.775 1.670 1.00 0.00 C ATOM 287 OG1 THR A 18 0.718 -10.453 2.440 1.00 0.00 O ATOM 288 CG2 THR A 18 1.659 -10.351 0.271 1.00 0.00 C ATOM 0 H THR A 18 4.052 -9.251 0.588 1.00 0.00 H new ATOM 0 HA THR A 18 2.996 -9.490 3.350 1.00 0.00 H new ATOM 0 HB THR A 18 1.477 -8.708 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.927 -10.354 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.655 -10.248 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.367 -9.814 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.931 -11.406 0.305 1.00 0.00 H new ATOM 296 N GLU A 19 3.251 -12.012 3.488 1.00 0.00 N ATOM 297 CA GLU A 19 3.630 -13.417 3.649 1.00 0.00 C ATOM 298 C GLU A 19 2.412 -14.322 3.484 1.00 0.00 C ATOM 299 O GLU A 19 1.477 -14.261 4.282 1.00 0.00 O ATOM 300 CB GLU A 19 4.260 -13.629 5.030 1.00 0.00 C ATOM 301 CG GLU A 19 4.589 -15.079 5.349 1.00 0.00 C ATOM 302 CD GLU A 19 5.578 -15.688 4.376 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.683 -15.124 4.221 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.253 -16.734 3.777 1.00 0.00 O ATOM 0 H GLU A 19 2.773 -11.611 4.295 1.00 0.00 H new ATOM 0 HA GLU A 19 4.358 -13.674 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.174 -13.038 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.579 -13.247 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.996 -15.140 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.670 -15.665 5.340 1.00 0.00 H new ATOM 311 N ALA A 20 2.417 -15.160 2.447 1.00 0.00 N ATOM 312 CA ALA A 20 1.297 -16.061 2.198 1.00 0.00 C ATOM 313 C ALA A 20 1.756 -17.377 1.568 1.00 0.00 C ATOM 314 O ALA A 20 2.747 -17.422 0.840 1.00 0.00 O ATOM 315 CB ALA A 20 0.265 -15.383 1.313 1.00 0.00 C ATOM 0 H ALA A 20 3.178 -15.232 1.772 1.00 0.00 H new ATOM 0 HA ALA A 20 0.843 -16.299 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.566 -16.066 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.104 -14.484 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.723 -15.112 0.362 1.00 0.00 H new ATOM 321 N VAL A 21 1.029 -18.446 1.882 1.00 0.00 N ATOM 322 CA VAL A 21 1.349 -19.784 1.385 1.00 0.00 C ATOM 323 C VAL A 21 1.541 -19.802 -0.135 1.00 0.00 C ATOM 324 O VAL A 21 2.288 -20.626 -0.661 1.00 0.00 O ATOM 325 CB VAL A 21 0.241 -20.786 1.756 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.648 -22.204 1.385 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.094 -20.688 3.237 1.00 0.00 C ATOM 0 H VAL A 21 0.206 -18.412 2.484 1.00 0.00 H new ATOM 0 HA VAL A 21 2.287 -20.074 1.859 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.653 -20.533 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.150 -22.895 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.828 -22.262 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.558 -22.473 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.879 -21.404 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.795 -20.910 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.438 -19.680 3.466 1.00 0.00 H new ATOM 337 N ASP A 22 0.875 -18.887 -0.832 1.00 0.00 N ATOM 338 CA ASP A 22 0.998 -18.813 -2.285 1.00 0.00 C ATOM 339 C ASP A 22 0.701 -17.408 -2.795 1.00 0.00 C ATOM 340 O ASP A 22 0.334 -16.522 -2.024 1.00 0.00 O ATOM 341 CB ASP A 22 0.076 -19.835 -2.958 1.00 0.00 C ATOM 342 CG ASP A 22 -1.390 -19.539 -2.732 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.863 -18.494 -3.223 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.067 -20.351 -2.067 1.00 0.00 O ATOM 0 H ASP A 22 0.251 -18.193 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 22 2.029 -19.052 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.278 -19.850 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.304 -20.830 -2.576 1.00 0.00 H new ATOM 349 N ALA A 23 0.875 -17.207 -4.099 1.00 0.00 N ATOM 350 CA ALA A 23 0.639 -15.905 -4.708 1.00 0.00 C ATOM 351 C ALA A 23 -0.801 -15.457 -4.519 1.00 0.00 C ATOM 352 O ALA A 23 -1.061 -14.296 -4.201 1.00 0.00 O ATOM 353 CB ALA A 23 1.002 -15.937 -6.186 1.00 0.00 C ATOM 0 H ALA A 23 1.178 -17.930 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 23 1.279 -15.179 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.820 -14.957 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.055 -16.195 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.391 -16.683 -6.695 1.00 0.00 H new ATOM 359 N ALA A 24 -1.734 -16.379 -4.708 1.00 0.00 N ATOM 360 CA ALA A 24 -3.144 -16.059 -4.543 1.00 0.00 C ATOM 361 C ALA A 24 -3.419 -15.660 -3.105 1.00 0.00 C ATOM 362 O ALA A 24 -3.924 -14.570 -2.843 1.00 0.00 O ATOM 363 CB ALA A 24 -4.015 -17.237 -4.955 1.00 0.00 C ATOM 0 H ALA A 24 -1.543 -17.345 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.392 -15.218 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.065 -16.976 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.829 -17.479 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.775 -18.101 -4.335 1.00 0.00 H new ATOM 369 N THR A 25 -3.055 -16.531 -2.167 1.00 0.00 N ATOM 370 CA THR A 25 -3.235 -16.240 -0.760 1.00 0.00 C ATOM 371 C THR A 25 -2.643 -14.876 -0.450 1.00 0.00 C ATOM 372 O THR A 25 -3.269 -14.047 0.207 1.00 0.00 O ATOM 373 CB THR A 25 -2.573 -17.322 0.095 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.208 -17.480 -0.253 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.243 -18.673 -0.027 1.00 0.00 C ATOM 0 H THR A 25 -2.635 -17.440 -2.362 1.00 0.00 H new ATOM 0 HA THR A 25 -4.299 -16.228 -0.525 1.00 0.00 H new ATOM 0 HB THR A 25 -2.675 -16.977 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.051 -17.098 -1.142 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.725 -19.395 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.283 -18.594 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.205 -19.005 -1.064 1.00 0.00 H new ATOM 383 N ALA A 26 -1.438 -14.637 -0.965 1.00 0.00 N ATOM 384 CA ALA A 26 -0.778 -13.357 -0.777 1.00 0.00 C ATOM 385 C ALA A 26 -1.637 -12.256 -1.375 1.00 0.00 C ATOM 386 O ALA A 26 -1.957 -11.271 -0.708 1.00 0.00 O ATOM 387 CB ALA A 26 0.605 -13.369 -1.412 1.00 0.00 C ATOM 0 H ALA A 26 -0.905 -15.313 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.652 -13.170 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.083 -12.401 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.210 -14.149 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.513 -13.565 -2.480 1.00 0.00 H new ATOM 393 N GLU A 27 -2.027 -12.439 -2.637 1.00 0.00 N ATOM 394 CA GLU A 27 -2.869 -11.471 -3.323 1.00 0.00 C ATOM 395 C GLU A 27 -4.122 -11.181 -2.504 1.00 0.00 C ATOM 396 O GLU A 27 -4.508 -10.026 -2.326 1.00 0.00 O ATOM 397 CB GLU A 27 -3.262 -11.994 -4.705 1.00 0.00 C ATOM 398 CG GLU A 27 -4.129 -11.029 -5.497 1.00 0.00 C ATOM 399 CD GLU A 27 -4.504 -11.566 -6.865 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.082 -12.695 -7.197 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.219 -10.858 -7.606 1.00 0.00 O ATOM 0 H GLU A 27 -1.771 -13.250 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.303 -10.547 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.357 -12.207 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.796 -12.937 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.037 -10.817 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.599 -10.084 -5.615 1.00 0.00 H new ATOM 408 N LYS A 28 -4.745 -12.242 -1.999 1.00 0.00 N ATOM 409 CA LYS A 28 -5.947 -12.107 -1.187 1.00 0.00 C ATOM 410 C LYS A 28 -5.626 -11.392 0.117 1.00 0.00 C ATOM 411 O LYS A 28 -6.321 -10.455 0.510 1.00 0.00 O ATOM 412 CB LYS A 28 -6.558 -13.479 -0.900 1.00 0.00 C ATOM 413 CG LYS A 28 -6.954 -14.240 -2.152 1.00 0.00 C ATOM 414 CD LYS A 28 -7.878 -13.416 -3.031 1.00 0.00 C ATOM 415 CE LYS A 28 -8.260 -14.171 -4.294 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.168 -13.378 -5.165 1.00 0.00 N ATOM 0 H LYS A 28 -4.436 -13.204 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.673 -11.514 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.843 -14.075 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.437 -13.351 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.060 -14.510 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.448 -15.171 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.778 -13.157 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.389 -12.480 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.358 -14.428 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.745 -15.109 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.403 -13.930 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.040 -13.154 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.696 -12.495 -5.446 1.00 0.00 H new ATOM 430 N VAL A 29 -4.559 -11.830 0.779 1.00 0.00 N ATOM 431 CA VAL A 29 -4.140 -11.217 2.030 1.00 0.00 C ATOM 432 C VAL A 29 -3.897 -9.729 1.826 1.00 0.00 C ATOM 433 O VAL A 29 -4.289 -8.905 2.653 1.00 0.00 O ATOM 434 CB VAL A 29 -2.864 -11.879 2.589 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.412 -11.192 3.870 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.096 -13.365 2.829 1.00 0.00 C ATOM 0 H VAL A 29 -3.972 -12.605 0.469 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.941 -11.363 2.754 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.071 -11.768 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.511 -11.677 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.201 -10.142 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.201 -11.264 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.186 -13.816 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.906 -13.496 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.363 -13.848 1.889 1.00 0.00 H new ATOM 446 N VAL A 30 -3.273 -9.390 0.704 1.00 0.00 N ATOM 447 CA VAL A 30 -3.010 -7.998 0.382 1.00 0.00 C ATOM 448 C VAL A 30 -4.334 -7.267 0.183 1.00 0.00 C ATOM 449 O VAL A 30 -4.546 -6.189 0.728 1.00 0.00 O ATOM 450 CB VAL A 30 -2.149 -7.859 -0.887 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.794 -6.400 -1.134 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.891 -8.710 -0.774 1.00 0.00 C ATOM 0 H VAL A 30 -2.942 -10.058 0.007 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.456 -7.558 1.211 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.728 -8.217 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.185 -6.321 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.708 -5.820 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.234 -6.013 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.294 -8.600 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.307 -8.384 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.170 -9.756 -0.648 1.00 0.00 H new ATOM 462 N LYS A 31 -5.242 -7.874 -0.585 1.00 0.00 N ATOM 463 CA LYS A 31 -6.555 -7.279 -0.821 1.00 0.00 C ATOM 464 C LYS A 31 -7.186 -6.865 0.501 1.00 0.00 C ATOM 465 O LYS A 31 -7.714 -5.763 0.635 1.00 0.00 O ATOM 466 CB LYS A 31 -7.474 -8.256 -1.555 1.00 0.00 C ATOM 467 CG LYS A 31 -7.108 -8.443 -3.018 1.00 0.00 C ATOM 468 CD LYS A 31 -7.910 -9.561 -3.671 1.00 0.00 C ATOM 469 CE LYS A 31 -9.393 -9.225 -3.759 1.00 0.00 C ATOM 470 NZ LYS A 31 -10.059 -9.239 -2.426 1.00 0.00 N ATOM 0 H LYS A 31 -5.092 -8.770 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.422 -6.397 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.440 -9.223 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.501 -7.898 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.281 -7.511 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.044 -8.665 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.521 -9.749 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.780 -10.481 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.513 -8.241 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.887 -9.941 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.964 -9.747 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.445 -9.718 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.233 -8.262 -2.115 1.00 0.00 H new ATOM 484 N GLN A 32 -7.103 -7.757 1.483 1.00 0.00 N ATOM 485 CA GLN A 32 -7.641 -7.478 2.807 1.00 0.00 C ATOM 486 C GLN A 32 -6.954 -6.243 3.378 1.00 0.00 C ATOM 487 O GLN A 32 -7.573 -5.422 4.054 1.00 0.00 O ATOM 488 CB GLN A 32 -7.436 -8.679 3.734 1.00 0.00 C ATOM 489 CG GLN A 32 -8.045 -8.497 5.117 1.00 0.00 C ATOM 490 CD GLN A 32 -9.565 -8.374 5.109 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.198 -8.617 3.961 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.170 -8.079 6.140 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.670 -8.675 1.386 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.712 -7.292 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.871 -9.564 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.368 -8.867 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.762 -9.343 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.620 -7.605 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.653 -7.900 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.188 -8.014 6.133 1.00 0.00 H new ATOM 501 N PHE A 33 -5.663 -6.121 3.078 1.00 0.00 N ATOM 502 CA PHE A 33 -4.859 -4.992 3.529 1.00 0.00 C ATOM 503 C PHE A 33 -5.514 -3.675 3.109 1.00 0.00 C ATOM 504 O PHE A 33 -5.915 -2.867 3.945 1.00 0.00 O ATOM 505 CB PHE A 33 -3.448 -5.103 2.933 1.00 0.00 C ATOM 506 CG PHE A 33 -2.447 -4.174 3.545 1.00 0.00 C ATOM 507 CD1 PHE A 33 -2.090 -4.304 4.876 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.864 -3.166 2.790 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.174 -3.442 5.446 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.945 -2.305 3.357 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.601 -2.444 4.688 1.00 0.00 C ATOM 0 H PHE A 33 -5.148 -6.800 2.518 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.791 -5.008 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.096 -6.128 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.502 -4.906 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.532 -5.087 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.131 -3.054 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.906 -3.550 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.496 -1.524 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.116 -1.771 5.134 1.00 0.00 H new ATOM 521 N PHE A 34 -5.631 -3.486 1.799 1.00 0.00 N ATOM 522 CA PHE A 34 -6.247 -2.282 1.241 1.00 0.00 C ATOM 523 C PHE A 34 -7.735 -2.253 1.548 1.00 0.00 C ATOM 524 O PHE A 34 -8.294 -1.208 1.878 1.00 0.00 O ATOM 525 CB PHE A 34 -5.995 -2.216 -0.259 1.00 0.00 C ATOM 526 CG PHE A 34 -4.534 -2.234 -0.573 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.660 -1.430 0.142 1.00 0.00 C ATOM 528 CD2 PHE A 34 -4.027 -3.062 -1.555 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.309 -1.455 -0.118 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.675 -3.088 -1.825 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.815 -2.283 -1.100 1.00 0.00 C ATOM 0 H PHE A 34 -5.306 -4.153 1.099 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.794 -1.405 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.483 -3.059 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.444 -1.309 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.044 -0.777 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.696 -3.696 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.638 -0.826 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.289 -3.734 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.755 -2.304 -1.305 1.00 0.00 H new ATOM 541 N ASN A 35 -8.365 -3.415 1.463 1.00 0.00 N ATOM 542 CA ASN A 35 -9.784 -3.540 1.759 1.00 0.00 C ATOM 543 C ASN A 35 -10.092 -2.889 3.105 1.00 0.00 C ATOM 544 O ASN A 35 -11.119 -2.235 3.285 1.00 0.00 O ATOM 545 CB ASN A 35 -10.158 -5.019 1.809 1.00 0.00 C ATOM 546 CG ASN A 35 -11.630 -5.245 2.063 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.215 -4.659 2.975 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.227 -6.122 1.272 1.00 0.00 N ATOM 0 H ASN A 35 -7.914 -4.288 1.190 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.362 -3.041 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.881 -5.491 0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.580 -5.508 2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.215 -6.338 1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.699 -6.582 0.530 1.00 0.00 H new ATOM 555 N ASP A 36 -9.173 -3.091 4.043 1.00 0.00 N ATOM 556 CA ASP A 36 -9.303 -2.547 5.390 1.00 0.00 C ATOM 557 C ASP A 36 -8.578 -1.209 5.557 1.00 0.00 C ATOM 558 O ASP A 36 -8.927 -0.423 6.439 1.00 0.00 O ATOM 559 CB ASP A 36 -8.788 -3.554 6.418 1.00 0.00 C ATOM 560 CG ASP A 36 -9.567 -4.854 6.396 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.791 -4.819 6.640 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.954 -5.909 6.134 1.00 0.00 O ATOM 0 H ASP A 36 -8.322 -3.633 3.893 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.364 -2.361 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.736 -3.761 6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.848 -3.115 7.414 1.00 0.00 H new ATOM 567 N ASN A 37 -7.582 -0.935 4.714 1.00 0.00 N ATOM 568 CA ASN A 37 -6.853 0.330 4.805 1.00 0.00 C ATOM 569 C ASN A 37 -7.652 1.438 4.140 1.00 0.00 C ATOM 570 O ASN A 37 -7.804 2.528 4.691 1.00 0.00 O ATOM 571 CB ASN A 37 -5.473 0.242 4.141 1.00 0.00 C ATOM 572 CG ASN A 37 -4.536 -0.719 4.842 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.480 -0.764 6.070 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.763 -1.469 4.062 1.00 0.00 N ATOM 0 H ASN A 37 -7.266 -1.560 3.973 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.712 0.549 5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.595 -0.070 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.021 1.234 4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.091 -2.113 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.842 -1.400 3.047 1.00 0.00 H new ATOM 581 N GLY A 38 -8.153 1.125 2.946 1.00 0.00 N ATOM 582 CA GLY A 38 -8.948 2.048 2.152 1.00 0.00 C ATOM 583 C GLY A 38 -9.276 3.370 2.824 1.00 0.00 C ATOM 584 O GLY A 38 -8.393 4.193 3.072 1.00 0.00 O ATOM 0 H GLY A 38 -8.015 0.216 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.415 2.254 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.882 1.556 1.881 1.00 0.00 H new ATOM 588 N VAL A 39 -10.564 3.598 3.044 1.00 0.00 N ATOM 589 CA VAL A 39 -11.038 4.859 3.609 1.00 0.00 C ATOM 590 C VAL A 39 -11.494 4.762 5.064 1.00 0.00 C ATOM 591 O VAL A 39 -11.959 5.756 5.623 1.00 0.00 O ATOM 592 CB VAL A 39 -12.221 5.380 2.783 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.668 6.755 3.263 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.870 5.410 1.306 1.00 0.00 C ATOM 0 H VAL A 39 -11.303 2.925 2.840 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.182 5.533 3.578 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.056 4.694 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.508 7.096 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.975 6.694 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.842 7.460 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.722 5.782 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.014 6.066 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.622 4.403 0.970 1.00 0.00 H new ATOM 604 N ASP A 40 -11.378 3.603 5.693 1.00 0.00 N ATOM 605 CA ASP A 40 -11.809 3.472 7.085 1.00 0.00 C ATOM 606 C ASP A 40 -10.693 2.932 7.983 1.00 0.00 C ATOM 607 O ASP A 40 -10.952 2.491 9.103 1.00 0.00 O ATOM 608 CB ASP A 40 -13.030 2.554 7.175 1.00 0.00 C ATOM 609 CG ASP A 40 -14.211 3.080 6.381 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.082 4.162 5.770 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.266 2.410 6.371 1.00 0.00 O ATOM 0 H ASP A 40 -10.998 2.753 5.277 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.070 4.469 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.763 1.562 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.320 2.441 8.220 1.00 0.00 H new ATOM 616 N GLY A 41 -9.455 2.962 7.493 1.00 0.00 N ATOM 617 CA GLY A 41 -8.339 2.462 8.278 1.00 0.00 C ATOM 618 C GLY A 41 -7.809 3.477 9.277 1.00 0.00 C ATOM 619 O GLY A 41 -8.223 4.636 9.277 1.00 0.00 O ATOM 0 H GLY A 41 -9.206 3.322 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.652 1.565 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.533 2.168 7.606 1.00 0.00 H new ATOM 623 N GLU A 42 -6.883 3.035 10.129 1.00 0.00 N ATOM 624 CA GLU A 42 -6.282 3.904 11.139 1.00 0.00 C ATOM 625 C GLU A 42 -4.934 4.430 10.655 1.00 0.00 C ATOM 626 O GLU A 42 -3.929 3.715 10.685 1.00 0.00 O ATOM 627 CB GLU A 42 -6.103 3.148 12.457 1.00 0.00 C ATOM 628 CG GLU A 42 -7.402 2.614 13.037 1.00 0.00 C ATOM 629 CD GLU A 42 -8.394 3.713 13.364 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.812 4.434 12.433 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.755 3.853 14.552 1.00 0.00 O ATOM 0 H GLU A 42 -6.533 2.077 10.139 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.951 4.748 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.417 2.316 12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.636 3.811 13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.854 1.922 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.185 2.046 13.941 1.00 0.00 H new ATOM 638 N TRP A 43 -4.926 5.672 10.178 1.00 0.00 N ATOM 639 CA TRP A 43 -3.713 6.286 9.652 1.00 0.00 C ATOM 640 C TRP A 43 -2.998 7.155 10.685 1.00 0.00 C ATOM 641 O TRP A 43 -3.545 8.153 11.154 1.00 0.00 O ATOM 642 CB TRP A 43 -4.059 7.151 8.445 1.00 0.00 C ATOM 643 CG TRP A 43 -4.735 6.408 7.337 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.818 5.577 7.429 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.371 6.442 5.958 1.00 0.00 C ATOM 646 NE1 TRP A 43 -6.145 5.094 6.184 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.269 5.612 5.266 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.369 7.098 5.244 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.193 5.422 3.890 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.294 6.909 3.881 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.202 6.077 3.214 1.00 0.00 C ATOM 0 H TRP A 43 -5.749 6.273 10.146 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.042 5.474 9.373 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.706 7.967 8.769 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.144 7.603 8.061 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.339 5.336 8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.913 4.455 5.978 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.665 7.742 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.892 4.780 3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.522 7.411 3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.117 5.951 2.145 1.00 0.00 H new ATOM 662 N THR A 44 -1.763 6.784 11.009 1.00 0.00 N ATOM 663 CA THR A 44 -0.958 7.544 11.956 1.00 0.00 C ATOM 664 C THR A 44 0.178 8.257 11.219 1.00 0.00 C ATOM 665 O THR A 44 0.819 7.673 10.346 1.00 0.00 O ATOM 666 CB THR A 44 -0.395 6.624 13.041 1.00 0.00 C ATOM 667 OG1 THR A 44 0.355 5.570 12.466 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.465 6.003 13.912 1.00 0.00 C ATOM 0 H THR A 44 -1.298 5.960 10.628 1.00 0.00 H new ATOM 0 HA THR A 44 -1.591 8.290 12.436 1.00 0.00 H new ATOM 0 HB THR A 44 0.233 7.262 13.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.128 5.488 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.998 5.362 14.660 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.031 6.790 14.410 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.138 5.408 13.294 1.00 0.00 H new ATOM 676 N TYR A 45 0.410 9.522 11.559 1.00 0.00 N ATOM 677 CA TYR A 45 1.457 10.307 10.906 1.00 0.00 C ATOM 678 C TYR A 45 2.657 10.532 11.823 1.00 0.00 C ATOM 679 O TYR A 45 2.506 10.699 13.034 1.00 0.00 O ATOM 680 CB TYR A 45 0.892 11.657 10.452 1.00 0.00 C ATOM 681 CG TYR A 45 1.911 12.552 9.782 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.756 12.060 8.795 1.00 0.00 C ATOM 683 CD2 TYR A 45 2.025 13.890 10.135 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.687 12.876 8.180 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.953 14.713 9.526 1.00 0.00 C ATOM 686 CZ TYR A 45 3.782 14.202 8.548 1.00 0.00 C ATOM 687 OH TYR A 45 4.706 15.018 7.939 1.00 0.00 O ATOM 0 H TYR A 45 -0.109 10.025 12.279 1.00 0.00 H new ATOM 0 HA TYR A 45 1.801 9.740 10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.067 11.481 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.479 12.177 11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.684 11.023 8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.377 14.294 10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.337 12.477 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.029 15.751 9.814 1.00 0.00 H new ATOM 0 HH TYR A 45 4.641 15.921 8.313 1.00 0.00 H new ATOM 697 N ASP A 46 3.847 10.544 11.228 1.00 0.00 N ATOM 698 CA ASP A 46 5.080 10.759 11.974 1.00 0.00 C ATOM 699 C ASP A 46 5.843 11.960 11.416 1.00 0.00 C ATOM 700 O ASP A 46 6.771 11.807 10.620 1.00 0.00 O ATOM 701 CB ASP A 46 5.959 9.507 11.919 1.00 0.00 C ATOM 702 CG ASP A 46 7.248 9.667 12.701 1.00 0.00 C ATOM 703 OD1 ASP A 46 8.039 10.574 12.363 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.467 8.887 13.652 1.00 0.00 O ATOM 0 H ASP A 46 3.982 10.406 10.226 1.00 0.00 H new ATOM 0 HA ASP A 46 4.821 10.963 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.401 8.658 12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.195 9.278 10.880 1.00 0.00 H new ATOM 709 N ASP A 47 5.434 13.155 11.832 1.00 0.00 N ATOM 710 CA ASP A 47 6.059 14.394 11.372 1.00 0.00 C ATOM 711 C ASP A 47 7.584 14.321 11.444 1.00 0.00 C ATOM 712 O ASP A 47 8.281 14.874 10.594 1.00 0.00 O ATOM 713 CB ASP A 47 5.561 15.575 12.207 1.00 0.00 C ATOM 714 CG ASP A 47 4.061 15.760 12.110 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.322 14.819 12.471 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.622 16.845 11.674 1.00 0.00 O ATOM 0 H ASP A 47 4.668 13.293 12.491 1.00 0.00 H new ATOM 0 HA ASP A 47 5.778 14.536 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.839 15.422 13.250 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.059 16.486 11.875 1.00 0.00 H new ATOM 721 N ALA A 48 8.095 13.653 12.473 1.00 0.00 N ATOM 722 CA ALA A 48 9.538 13.530 12.669 1.00 0.00 C ATOM 723 C ALA A 48 10.248 13.071 11.397 1.00 0.00 C ATOM 724 O ALA A 48 11.384 13.468 11.136 1.00 0.00 O ATOM 725 CB ALA A 48 9.830 12.569 13.810 1.00 0.00 C ATOM 0 H ALA A 48 7.532 13.188 13.185 1.00 0.00 H new ATOM 0 HA ALA A 48 9.923 14.518 12.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.908 12.484 13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.375 12.944 14.727 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.416 11.588 13.575 1.00 0.00 H new ATOM 731 N THR A 49 9.581 12.236 10.611 1.00 0.00 N ATOM 732 CA THR A 49 10.166 11.734 9.370 1.00 0.00 C ATOM 733 C THR A 49 9.228 11.943 8.182 1.00 0.00 C ATOM 734 O THR A 49 9.413 11.335 7.128 1.00 0.00 O ATOM 735 CB THR A 49 10.505 10.250 9.506 1.00 0.00 C ATOM 736 OG1 THR A 49 9.347 9.495 9.811 1.00 0.00 O ATOM 737 CG2 THR A 49 11.533 9.966 10.580 1.00 0.00 C ATOM 0 H THR A 49 8.641 11.893 10.807 1.00 0.00 H new ATOM 0 HA THR A 49 11.079 12.299 9.184 1.00 0.00 H new ATOM 0 HB THR A 49 10.921 9.961 8.541 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.962 9.813 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.727 8.894 10.623 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.458 10.493 10.347 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.155 10.305 11.544 1.00 0.00 H new ATOM 745 N LYS A 50 8.216 12.795 8.352 1.00 0.00 N ATOM 746 CA LYS A 50 7.262 13.054 7.278 1.00 0.00 C ATOM 747 C LYS A 50 6.732 11.729 6.732 1.00 0.00 C ATOM 748 O LYS A 50 6.454 11.600 5.539 1.00 0.00 O ATOM 749 CB LYS A 50 7.941 13.843 6.153 1.00 0.00 C ATOM 750 CG LYS A 50 8.783 15.008 6.650 1.00 0.00 C ATOM 751 CD LYS A 50 7.940 16.082 7.322 1.00 0.00 C ATOM 752 CE LYS A 50 7.275 16.993 6.309 1.00 0.00 C ATOM 753 NZ LYS A 50 6.179 16.301 5.591 1.00 0.00 N ATOM 0 H LYS A 50 8.038 13.311 9.214 1.00 0.00 H new ATOM 0 HA LYS A 50 6.432 13.641 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.574 13.168 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.177 14.221 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.529 14.640 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.325 15.446 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.178 15.610 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.569 16.675 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.880 17.874 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.017 17.343 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.649 16.990 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.579 15.570 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.539 15.857 6.280 1.00 0.00 H new ATOM 767 N THR A 51 6.634 10.739 7.616 1.00 0.00 N ATOM 768 CA THR A 51 6.182 9.405 7.234 1.00 0.00 C ATOM 769 C THR A 51 4.772 9.104 7.743 1.00 0.00 C ATOM 770 O THR A 51 4.365 9.579 8.804 1.00 0.00 O ATOM 771 CB THR A 51 7.171 8.366 7.775 1.00 0.00 C ATOM 772 OG1 THR A 51 8.461 8.576 7.232 1.00 0.00 O ATOM 773 CG2 THR A 51 6.784 6.932 7.481 1.00 0.00 C ATOM 0 H THR A 51 6.863 10.837 8.605 1.00 0.00 H new ATOM 0 HA THR A 51 6.145 9.360 6.146 1.00 0.00 H new ATOM 0 HB THR A 51 7.158 8.506 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.076 8.847 7.945 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.535 6.260 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.815 6.717 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.723 6.785 6.403 1.00 0.00 H new ATOM 781 N PHE A 52 4.038 8.299 6.975 1.00 0.00 N ATOM 782 CA PHE A 52 2.676 7.911 7.333 1.00 0.00 C ATOM 783 C PHE A 52 2.591 6.410 7.603 1.00 0.00 C ATOM 784 O PHE A 52 2.818 5.601 6.712 1.00 0.00 O ATOM 785 CB PHE A 52 1.700 8.277 6.213 1.00 0.00 C ATOM 786 CG PHE A 52 1.583 9.752 5.964 1.00 0.00 C ATOM 787 CD1 PHE A 52 0.865 10.558 6.832 1.00 0.00 C ATOM 788 CD2 PHE A 52 2.182 10.332 4.857 1.00 0.00 C ATOM 789 CE1 PHE A 52 0.747 11.914 6.602 1.00 0.00 C ATOM 790 CE2 PHE A 52 2.068 11.689 4.623 1.00 0.00 C ATOM 791 CZ PHE A 52 1.350 12.481 5.498 1.00 0.00 C ATOM 0 H PHE A 52 4.368 7.901 6.096 1.00 0.00 H new ATOM 0 HA PHE A 52 2.405 8.452 8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.019 7.788 5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.715 7.881 6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.392 10.120 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.744 9.717 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.183 12.531 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.540 12.130 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.261 13.542 5.318 1.00 0.00 H new ATOM 801 N THR A 53 2.231 6.046 8.825 1.00 0.00 N ATOM 802 CA THR A 53 2.091 4.639 9.185 1.00 0.00 C ATOM 803 C THR A 53 0.630 4.214 9.214 1.00 0.00 C ATOM 804 O THR A 53 -0.187 4.780 9.940 1.00 0.00 O ATOM 805 CB THR A 53 2.760 4.337 10.528 1.00 0.00 C ATOM 806 OG1 THR A 53 2.548 5.389 11.451 1.00 0.00 O ATOM 807 CG2 THR A 53 4.251 4.088 10.420 1.00 0.00 C ATOM 0 H THR A 53 2.031 6.700 9.582 1.00 0.00 H new ATOM 0 HA THR A 53 2.598 4.060 8.413 1.00 0.00 H new ATOM 0 HB THR A 53 2.290 3.418 10.879 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.793 5.165 12.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.658 3.881 11.410 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.431 3.234 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.738 4.970 10.005 1.00 0.00 H new ATOM 815 N VAL A 54 0.322 3.191 8.426 1.00 0.00 N ATOM 816 CA VAL A 54 -1.025 2.646 8.352 1.00 0.00 C ATOM 817 C VAL A 54 -1.059 1.283 9.027 1.00 0.00 C ATOM 818 O VAL A 54 -0.542 0.303 8.487 1.00 0.00 O ATOM 819 CB VAL A 54 -1.505 2.519 6.890 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.925 1.970 6.831 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.417 3.864 6.184 1.00 0.00 C ATOM 0 H VAL A 54 0.996 2.719 7.824 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.698 3.332 8.866 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.851 1.816 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.241 1.890 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.954 0.985 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.598 2.642 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.759 3.758 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.045 4.589 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.384 4.211 6.189 1.00 0.00 H new ATOM 831 N THR A 55 -1.641 1.226 10.220 1.00 0.00 N ATOM 832 CA THR A 55 -1.702 -0.024 10.964 1.00 0.00 C ATOM 833 C THR A 55 -3.049 -0.714 10.794 1.00 0.00 C ATOM 834 O THR A 55 -4.089 -0.173 11.166 1.00 0.00 O ATOM 835 CB THR A 55 -1.423 0.219 12.447 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.254 1.003 12.615 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.223 -1.063 13.222 1.00 0.00 C ATOM 0 H THR A 55 -2.073 2.023 10.688 1.00 0.00 H new ATOM 0 HA THR A 55 -0.933 -0.682 10.559 1.00 0.00 H new ATOM 0 HB THR A 55 -2.303 0.735 12.832 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.093 1.149 13.571 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.028 -0.829 14.269 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.121 -1.677 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.375 -1.609 12.809 1.00 0.00 H new ATOM 845 N GLU A 56 -3.016 -1.915 10.224 1.00 0.00 N ATOM 846 CA GLU A 56 -4.228 -2.692 10.000 1.00 0.00 C ATOM 847 C GLU A 56 -4.986 -2.916 11.305 1.00 0.00 C ATOM 848 O GLU A 56 -6.218 -2.716 11.315 1.00 0.00 O ATOM 849 CB GLU A 56 -3.876 -4.036 9.359 1.00 0.00 C ATOM 850 CG GLU A 56 -5.079 -4.930 9.109 1.00 0.00 C ATOM 851 CD GLU A 56 -6.096 -4.290 8.186 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.730 -3.960 7.039 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.258 -4.121 8.609 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.340 -3.291 12.307 1.00 0.00 O ATOM 0 H GLU A 56 -2.160 -2.371 9.909 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.874 -2.130 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.367 -3.854 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.172 -4.562 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.743 -5.873 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.555 -5.167 10.060 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.417 18.638 -1.821 1.00 0.00 N ATOM 863 CA MET B 1 7.032 17.818 -0.745 1.00 0.00 C ATOM 864 C MET B 1 6.725 16.335 -0.934 1.00 0.00 C ATOM 865 O MET B 1 5.606 15.960 -1.282 1.00 0.00 O ATOM 866 CB MET B 1 6.495 18.302 0.606 1.00 0.00 C ATOM 867 CG MET B 1 7.047 17.536 1.799 1.00 0.00 C ATOM 868 SD MET B 1 6.532 18.244 3.375 1.00 0.00 S ATOM 869 CE MET B 1 7.406 19.806 3.359 1.00 0.00 C ATOM 0 H1 MET B 1 7.162 19.149 -2.336 1.00 0.00 H new ATOM 0 H2 MET B 1 5.903 18.018 -2.479 1.00 0.00 H new ATOM 0 H3 MET B 1 5.755 19.321 -1.401 1.00 0.00 H new ATOM 0 HA MET B 1 8.115 17.935 -0.783 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.734 19.359 0.723 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.408 18.219 0.605 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.716 16.499 1.745 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.136 17.526 1.748 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.483 20.190 4.376 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.406 19.659 2.950 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.862 20.521 2.741 1.00 0.00 H new ATOM 881 N GLN B 2 7.725 15.499 -0.681 1.00 0.00 N ATOM 882 CA GLN B 2 7.569 14.059 -0.802 1.00 0.00 C ATOM 883 C GLN B 2 7.375 13.440 0.574 1.00 0.00 C ATOM 884 O GLN B 2 8.023 13.842 1.541 1.00 0.00 O ATOM 885 CB GLN B 2 8.791 13.443 -1.486 1.00 0.00 C ATOM 886 CG GLN B 2 8.686 11.938 -1.678 1.00 0.00 C ATOM 887 CD GLN B 2 9.900 11.350 -2.371 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.226 11.723 -3.498 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.575 10.426 -1.698 1.00 0.00 N ATOM 0 H GLN B 2 8.656 15.798 -0.390 1.00 0.00 H new ATOM 0 HA GLN B 2 6.690 13.854 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.930 13.916 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.679 13.664 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.560 11.460 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.794 11.712 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.268 10.148 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.401 9.994 -2.113 1.00 0.00 H new ATOM 898 N TYR B 3 6.476 12.471 0.664 1.00 0.00 N ATOM 899 CA TYR B 3 6.200 11.812 1.932 1.00 0.00 C ATOM 900 C TYR B 3 6.468 10.319 1.854 1.00 0.00 C ATOM 901 O TYR B 3 6.192 9.677 0.842 1.00 0.00 O ATOM 902 CB TYR B 3 4.752 12.063 2.355 1.00 0.00 C ATOM 903 CG TYR B 3 4.487 13.492 2.765 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.429 14.510 1.821 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.306 13.822 4.100 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.195 15.819 2.200 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.071 15.124 4.487 1.00 0.00 C ATOM 908 CZ TYR B 3 4.016 16.121 3.534 1.00 0.00 C ATOM 909 OH TYR B 3 3.785 17.425 3.913 1.00 0.00 O ATOM 0 H TYR B 3 5.927 12.125 -0.123 1.00 0.00 H new ATOM 0 HA TYR B 3 6.872 12.235 2.679 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.089 11.800 1.530 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.504 11.402 3.186 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.569 14.275 0.776 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.350 13.045 4.849 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.153 16.601 1.456 1.00 0.00 H new ATOM 0 HE2 TYR B 3 3.931 15.363 5.531 1.00 0.00 H new ATOM 0 HH TYR B 3 4.469 18.006 3.519 1.00 0.00 H new ATOM 919 N LYS B 4 6.995 9.772 2.942 1.00 0.00 N ATOM 920 CA LYS B 4 7.289 8.351 3.021 1.00 0.00 C ATOM 921 C LYS B 4 6.168 7.645 3.770 1.00 0.00 C ATOM 922 O LYS B 4 6.073 7.741 4.989 1.00 0.00 O ATOM 923 CB LYS B 4 8.625 8.127 3.734 1.00 0.00 C ATOM 924 CG LYS B 4 9.092 6.685 3.706 1.00 0.00 C ATOM 925 CD LYS B 4 9.280 6.197 2.281 1.00 0.00 C ATOM 926 CE LYS B 4 9.741 4.754 2.250 1.00 0.00 C ATOM 927 NZ LYS B 4 11.043 4.573 2.946 1.00 0.00 N ATOM 0 H LYS B 4 7.228 10.296 3.785 1.00 0.00 H new ATOM 0 HA LYS B 4 7.363 7.941 2.014 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.385 8.756 3.270 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.533 8.451 4.771 1.00 0.00 H new ATOM 0 HG2 LYS B 4 10.031 6.593 4.252 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.364 6.054 4.216 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.342 6.293 1.735 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.011 6.826 1.772 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.987 4.122 2.720 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.834 4.425 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.439 3.642 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.703 5.318 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.898 4.632 3.974 1.00 0.00 H new ATOM 941 N VAL B 5 5.305 6.954 3.040 1.00 0.00 N ATOM 942 CA VAL B 5 4.186 6.266 3.661 1.00 0.00 C ATOM 943 C VAL B 5 4.511 4.807 3.946 1.00 0.00 C ATOM 944 O VAL B 5 4.871 4.045 3.051 1.00 0.00 O ATOM 945 CB VAL B 5 2.919 6.360 2.789 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.764 5.603 3.430 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.543 7.815 2.556 1.00 0.00 C ATOM 0 H VAL B 5 5.358 6.856 2.026 1.00 0.00 H new ATOM 0 HA VAL B 5 3.996 6.766 4.611 1.00 0.00 H new ATOM 0 HB VAL B 5 3.131 5.899 1.824 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.880 5.683 2.797 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.035 4.553 3.543 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.548 6.030 4.410 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.646 7.865 1.938 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.351 8.299 3.514 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.362 8.326 2.049 1.00 0.00 H new ATOM 957 N ILE B 6 4.369 4.431 5.206 1.00 0.00 N ATOM 958 CA ILE B 6 4.627 3.071 5.642 1.00 0.00 C ATOM 959 C ILE B 6 3.318 2.322 5.850 1.00 0.00 C ATOM 960 O ILE B 6 2.448 2.762 6.600 1.00 0.00 O ATOM 961 CB ILE B 6 5.456 3.049 6.945 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.846 3.626 6.676 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.543 1.637 7.510 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.836 3.409 7.801 1.00 0.00 C ATOM 0 H ILE B 6 4.072 5.059 5.953 1.00 0.00 H new ATOM 0 HA ILE B 6 5.203 2.576 4.860 1.00 0.00 H new ATOM 0 HB ILE B 6 4.960 3.667 7.694 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.243 3.177 5.766 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.753 4.696 6.490 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.132 1.648 8.427 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.540 1.269 7.727 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.020 0.982 6.781 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.796 3.848 7.530 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.464 3.882 8.710 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.962 2.340 7.974 1.00 0.00 H new ATOM 976 N LEU B 7 3.191 1.186 5.179 1.00 0.00 N ATOM 977 CA LEU B 7 1.992 0.369 5.286 1.00 0.00 C ATOM 978 C LEU B 7 2.271 -0.830 6.186 1.00 0.00 C ATOM 979 O LEU B 7 2.627 -1.908 5.713 1.00 0.00 O ATOM 980 CB LEU B 7 1.549 -0.089 3.895 1.00 0.00 C ATOM 981 CG LEU B 7 1.678 0.969 2.800 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.134 0.440 1.483 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.959 2.245 3.208 1.00 0.00 C ATOM 0 H LEU B 7 3.904 0.810 4.555 1.00 0.00 H new ATOM 0 HA LEU B 7 1.187 0.957 5.726 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.139 -0.960 3.610 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.509 -0.411 3.948 1.00 0.00 H new ATOM 0 HG LEU B 7 2.734 1.201 2.663 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.234 1.206 0.714 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.696 -0.446 1.187 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.082 0.180 1.602 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.060 2.988 2.417 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.097 2.031 3.372 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.398 2.632 4.128 1.00 0.00 H new ATOM 995 N ASN B 8 2.139 -0.619 7.493 1.00 0.00 N ATOM 996 CA ASN B 8 2.407 -1.663 8.476 1.00 0.00 C ATOM 997 C ASN B 8 1.152 -2.464 8.812 1.00 0.00 C ATOM 998 O ASN B 8 0.262 -1.974 9.501 1.00 0.00 O ATOM 999 CB ASN B 8 2.958 -1.016 9.748 1.00 0.00 C ATOM 1000 CG ASN B 8 3.473 -2.025 10.753 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.785 -2.984 11.100 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.686 -1.794 11.243 1.00 0.00 N ATOM 0 H ASN B 8 1.846 0.271 7.897 1.00 0.00 H new ATOM 0 HA ASN B 8 3.134 -2.354 8.050 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.765 -0.334 9.481 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.175 -0.417 10.212 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.084 -2.426 11.938 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.219 -0.985 10.924 1.00 0.00 H new ATOM 1009 N GLY B 9 1.090 -3.697 8.324 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.062 -4.539 8.593 1.00 0.00 C ATOM 1011 C GLY B 9 0.295 -5.783 9.376 1.00 0.00 C ATOM 1012 O GLY B 9 1.398 -5.898 9.911 1.00 0.00 O ATOM 0 H GLY B 9 1.813 -4.128 7.749 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.804 -3.966 9.148 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.524 -4.829 7.649 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.642 -6.721 9.436 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.425 -7.970 10.150 1.00 0.00 C ATOM 1018 C LYS B 10 0.340 -8.951 9.271 1.00 0.00 C ATOM 1019 O LYS B 10 1.420 -9.421 9.630 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.765 -8.582 10.569 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.613 -7.679 11.455 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.256 -7.804 12.933 1.00 0.00 C ATOM 1023 CE LYS B 10 -0.815 -7.407 13.221 1.00 0.00 C ATOM 1024 NZ LYS B 10 0.127 -8.553 13.072 1.00 0.00 N ATOM 0 H LYS B 10 -1.560 -6.639 8.998 1.00 0.00 H new ATOM 0 HA LYS B 10 0.162 -7.762 11.044 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.334 -8.831 9.673 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.576 -9.517 11.097 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.485 -6.643 11.140 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.666 -7.926 11.317 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.926 -7.176 13.520 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.418 -8.832 13.257 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.519 -6.606 12.544 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.745 -7.011 14.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.950 -8.255 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 0.444 -8.866 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.355 -9.338 12.590 1.00 0.00 H new ATOM 1038 N THR B 11 -0.234 -9.252 8.111 1.00 0.00 N ATOM 1039 CA THR B 11 0.363 -10.169 7.159 1.00 0.00 C ATOM 1040 C THR B 11 1.061 -9.413 6.037 1.00 0.00 C ATOM 1041 O THR B 11 1.617 -10.020 5.122 1.00 0.00 O ATOM 1042 CB THR B 11 -0.722 -11.066 6.574 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.900 -10.320 6.332 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.089 -12.235 7.463 1.00 0.00 C ATOM 0 H THR B 11 -1.127 -8.864 7.808 1.00 0.00 H new ATOM 0 HA THR B 11 1.107 -10.773 7.678 1.00 0.00 H new ATOM 0 HB THR B 11 -0.302 -11.463 5.650 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.681 -10.844 6.607 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.866 -12.828 6.982 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.209 -12.856 7.629 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.456 -11.863 8.420 1.00 0.00 H new ATOM 1052 N LEU B 12 1.022 -8.086 6.101 1.00 0.00 N ATOM 1053 CA LEU B 12 1.645 -7.269 5.077 1.00 0.00 C ATOM 1054 C LEU B 12 2.364 -6.066 5.675 1.00 0.00 C ATOM 1055 O LEU B 12 1.853 -5.400 6.575 1.00 0.00 O ATOM 1056 CB LEU B 12 0.596 -6.816 4.057 1.00 0.00 C ATOM 1057 CG LEU B 12 1.128 -5.964 2.912 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.389 -6.585 2.340 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.070 -5.803 1.828 1.00 0.00 C ATOM 0 H LEU B 12 0.568 -7.560 6.848 1.00 0.00 H new ATOM 0 HA LEU B 12 2.395 -7.878 4.572 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.115 -7.700 3.638 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.176 -6.251 4.580 1.00 0.00 H new ATOM 0 HG LEU B 12 1.372 -4.974 3.298 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.760 -5.967 1.522 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.148 -6.650 3.119 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.165 -7.585 1.967 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.469 -5.191 1.019 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.206 -6.784 1.440 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.811 -5.319 2.249 1.00 0.00 H new ATOM 1071 N LYS B 13 3.549 -5.790 5.146 1.00 0.00 N ATOM 1072 CA LYS B 13 4.359 -4.663 5.590 1.00 0.00 C ATOM 1073 C LYS B 13 5.113 -4.082 4.401 1.00 0.00 C ATOM 1074 O LYS B 13 5.476 -4.817 3.486 1.00 0.00 O ATOM 1075 CB LYS B 13 5.342 -5.105 6.677 1.00 0.00 C ATOM 1076 CG LYS B 13 4.663 -5.719 7.891 1.00 0.00 C ATOM 1077 CD LYS B 13 5.680 -6.186 8.921 1.00 0.00 C ATOM 1078 CE LYS B 13 6.542 -5.037 9.416 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.730 -3.971 10.063 1.00 0.00 N ATOM 0 H LYS B 13 3.975 -6.339 4.399 1.00 0.00 H new ATOM 0 HA LYS B 13 3.706 -3.899 6.011 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.038 -5.829 6.254 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.931 -4.245 6.995 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.994 -4.987 8.344 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.047 -6.562 7.577 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.162 -6.642 9.764 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.315 -6.956 8.483 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.277 -5.415 10.127 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.097 -4.613 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.252 -3.580 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.540 -3.214 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.829 -4.373 10.393 1.00 0.00 H new ATOM 1093 N GLY B 14 5.347 -2.772 4.397 1.00 0.00 N ATOM 1094 CA GLY B 14 6.055 -2.182 3.277 1.00 0.00 C ATOM 1095 C GLY B 14 6.400 -0.717 3.454 1.00 0.00 C ATOM 1096 O GLY B 14 6.206 -0.137 4.523 1.00 0.00 O ATOM 0 H GLY B 14 5.066 -2.122 5.132 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.975 -2.741 3.110 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.447 -2.293 2.379 1.00 0.00 H new ATOM 1100 N GLU B 15 6.922 -0.133 2.379 1.00 0.00 N ATOM 1101 CA GLU B 15 7.322 1.267 2.356 1.00 0.00 C ATOM 1102 C GLU B 15 6.908 1.907 1.030 1.00 0.00 C ATOM 1103 O GLU B 15 7.237 1.401 -0.040 1.00 0.00 O ATOM 1104 CB GLU B 15 8.840 1.371 2.540 1.00 0.00 C ATOM 1105 CG GLU B 15 9.340 0.793 3.856 1.00 0.00 C ATOM 1106 CD GLU B 15 8.884 1.591 5.058 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.271 2.774 5.166 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.138 1.036 5.892 1.00 0.00 O ATOM 0 H GLU B 15 7.079 -0.621 1.497 1.00 0.00 H new ATOM 0 HA GLU B 15 6.826 1.796 3.170 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.333 0.854 1.716 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.133 2.419 2.480 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.989 -0.234 3.953 1.00 0.00 H new ATOM 0 HG3 GLU B 15 10.429 0.757 3.841 1.00 0.00 H new ATOM 1115 N THR B 16 6.180 3.016 1.108 1.00 0.00 N ATOM 1116 CA THR B 16 5.714 3.714 -0.087 1.00 0.00 C ATOM 1117 C THR B 16 5.944 5.220 0.026 1.00 0.00 C ATOM 1118 O THR B 16 6.265 5.722 1.099 1.00 0.00 O ATOM 1119 CB THR B 16 4.235 3.398 -0.339 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.652 4.384 -1.149 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.405 3.278 0.921 1.00 0.00 C ATOM 0 H THR B 16 5.899 3.452 1.986 1.00 0.00 H new ATOM 0 HA THR B 16 6.294 3.361 -0.940 1.00 0.00 H new ATOM 0 HB THR B 16 4.234 2.425 -0.831 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.713 4.158 -1.315 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.372 3.054 0.656 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.802 2.476 1.543 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.442 4.218 1.472 1.00 0.00 H new ATOM 1129 N THR B 17 5.808 5.934 -1.094 1.00 0.00 N ATOM 1130 CA THR B 17 6.033 7.378 -1.103 1.00 0.00 C ATOM 1131 C THR B 17 5.077 8.129 -2.032 1.00 0.00 C ATOM 1132 O THR B 17 5.074 7.922 -3.245 1.00 0.00 O ATOM 1133 CB THR B 17 7.471 7.676 -1.522 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.757 7.099 -2.783 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.502 7.167 -0.539 1.00 0.00 C ATOM 0 H THR B 17 5.546 5.539 -1.997 1.00 0.00 H new ATOM 0 HA THR B 17 5.844 7.728 -0.088 1.00 0.00 H new ATOM 0 HB THR B 17 7.538 8.763 -1.561 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.987 7.215 -3.378 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.501 7.413 -0.899 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.341 7.635 0.432 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.408 6.086 -0.440 1.00 0.00 H new ATOM 1143 N THR B 18 4.287 9.027 -1.444 1.00 0.00 N ATOM 1144 CA THR B 18 3.338 9.850 -2.198 1.00 0.00 C ATOM 1145 C THR B 18 3.826 11.301 -2.235 1.00 0.00 C ATOM 1146 O THR B 18 4.403 11.793 -1.265 1.00 0.00 O ATOM 1147 CB THR B 18 1.953 9.783 -1.555 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.004 10.485 -2.338 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.915 10.360 -0.157 1.00 0.00 C ATOM 0 H THR B 18 4.285 9.205 -0.440 1.00 0.00 H new ATOM 0 HA THR B 18 3.271 9.468 -3.217 1.00 0.00 H new ATOM 0 HB THR B 18 1.710 8.722 -1.498 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.223 10.382 -3.288 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.904 10.281 0.242 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.602 9.807 0.484 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.212 11.408 -0.188 1.00 0.00 H new ATOM 1157 N GLU B 19 3.591 11.981 -3.351 1.00 0.00 N ATOM 1158 CA GLU B 19 4.007 13.377 -3.505 1.00 0.00 C ATOM 1159 C GLU B 19 2.808 14.311 -3.358 1.00 0.00 C ATOM 1160 O GLU B 19 1.883 14.273 -4.169 1.00 0.00 O ATOM 1161 CB GLU B 19 4.661 13.572 -4.877 1.00 0.00 C ATOM 1162 CG GLU B 19 5.029 15.015 -5.191 1.00 0.00 C ATOM 1163 CD GLU B 19 6.020 15.599 -4.204 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.106 15.009 -4.034 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.711 16.653 -3.609 1.00 0.00 O ATOM 0 H GLU B 19 3.115 11.592 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 19 4.729 13.618 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.561 12.959 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.982 13.206 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.450 15.067 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.124 15.623 -5.193 1.00 0.00 H new ATOM 1172 N ALA B 20 2.819 15.149 -2.320 1.00 0.00 N ATOM 1173 CA ALA B 20 1.718 16.077 -2.089 1.00 0.00 C ATOM 1174 C ALA B 20 2.199 17.381 -1.451 1.00 0.00 C ATOM 1175 O ALA B 20 3.182 17.403 -0.709 1.00 0.00 O ATOM 1176 CB ALA B 20 0.657 15.425 -1.217 1.00 0.00 C ATOM 0 H ALA B 20 3.572 15.202 -1.634 1.00 0.00 H new ATOM 0 HA ALA B 20 1.285 16.325 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.160 16.127 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.274 14.534 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.095 15.145 -0.259 1.00 0.00 H new ATOM 1182 N VAL B 21 1.505 18.467 -1.774 1.00 0.00 N ATOM 1183 CA VAL B 21 1.848 19.798 -1.272 1.00 0.00 C ATOM 1184 C VAL B 21 2.019 19.811 0.249 1.00 0.00 C ATOM 1185 O VAL B 21 2.778 20.618 0.786 1.00 0.00 O ATOM 1186 CB VAL B 21 0.771 20.828 -1.660 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.207 22.235 -1.283 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.454 20.736 -3.143 1.00 0.00 C ATOM 0 H VAL B 21 0.691 18.453 -2.389 1.00 0.00 H new ATOM 0 HA VAL B 21 2.799 20.067 -1.733 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.138 20.599 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.430 22.945 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.372 22.289 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.132 22.481 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.309 21.471 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.357 20.934 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.087 19.736 -3.375 1.00 0.00 H new ATOM 1198 N ASP B 22 1.323 18.914 0.936 1.00 0.00 N ATOM 1199 CA ASP B 22 1.423 18.837 2.392 1.00 0.00 C ATOM 1200 C ASP B 22 1.085 17.439 2.897 1.00 0.00 C ATOM 1201 O ASP B 22 0.707 16.561 2.121 1.00 0.00 O ATOM 1202 CB ASP B 22 0.517 19.881 3.051 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.954 19.620 2.805 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.458 18.587 3.289 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.601 20.448 2.129 1.00 0.00 O ATOM 0 H ASP B 22 0.689 18.235 0.516 1.00 0.00 H new ATOM 0 HA ASP B 22 2.456 19.051 2.667 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.705 19.893 4.125 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.774 20.870 2.672 1.00 0.00 H new ATOM 1210 N ALA B 23 1.236 17.234 4.203 1.00 0.00 N ATOM 1211 CA ALA B 23 0.958 15.938 4.808 1.00 0.00 C ATOM 1212 C ALA B 23 -0.489 15.526 4.600 1.00 0.00 C ATOM 1213 O ALA B 23 -0.773 14.372 4.276 1.00 0.00 O ATOM 1214 CB ALA B 23 1.303 15.961 6.292 1.00 0.00 C ATOM 0 H ALA B 23 1.549 17.949 4.860 1.00 0.00 H new ATOM 0 HA ALA B 23 1.585 15.196 4.314 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.090 14.986 6.730 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.361 16.191 6.416 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.705 16.722 6.793 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.402 16.468 4.775 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.817 16.184 4.591 1.00 0.00 C ATOM 1222 C ALA B 24 -3.081 15.791 3.150 1.00 0.00 C ATOM 1223 O ALA B 24 -3.608 14.713 2.879 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.664 17.383 4.990 1.00 0.00 C ATOM 0 H ALA B 24 -1.191 17.430 5.042 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.095 15.351 5.237 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.718 17.148 4.844 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.487 17.621 6.039 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.395 18.240 4.373 1.00 0.00 H new ATOM 1230 N THR B 25 -2.682 16.654 2.216 1.00 0.00 N ATOM 1231 CA THR B 25 -2.850 16.367 0.806 1.00 0.00 C ATOM 1232 C THR B 25 -2.286 14.988 0.506 1.00 0.00 C ATOM 1233 O THR B 25 -2.924 14.174 -0.161 1.00 0.00 O ATOM 1234 CB THR B 25 -2.149 17.431 -0.040 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.786 17.556 0.327 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.787 18.800 0.073 1.00 0.00 C ATOM 0 H THR B 25 -2.243 17.552 2.417 1.00 0.00 H new ATOM 0 HA THR B 25 -3.911 16.382 0.556 1.00 0.00 H new ATOM 0 HB THR B 25 -2.245 17.087 -1.070 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.657 17.200 1.231 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.242 19.508 -0.551 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.824 18.747 -0.259 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.755 19.132 1.111 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.095 14.720 1.037 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.463 13.425 0.857 1.00 0.00 C ATOM 1246 C ALA B 26 -1.358 12.344 1.443 1.00 0.00 C ATOM 1247 O ALA B 26 -1.693 11.369 0.772 1.00 0.00 O ATOM 1248 CB ALA B 26 0.910 13.403 1.512 1.00 0.00 C ATOM 0 H ALA B 26 -0.554 15.383 1.592 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.326 13.236 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.367 12.424 1.366 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.541 14.169 1.061 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.807 13.600 2.579 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.761 12.537 2.699 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.637 11.590 3.373 1.00 0.00 C ATOM 1256 C GLU B 27 -3.883 11.330 2.536 1.00 0.00 C ATOM 1257 O GLU B 27 -4.294 10.186 2.350 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.036 12.124 4.750 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.939 11.180 5.530 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.318 11.727 6.893 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.874 12.845 7.229 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.061 11.038 7.622 1.00 0.00 O ATOM 0 H GLU B 27 -1.493 13.341 3.266 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.097 10.652 3.500 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.134 12.315 5.332 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.544 13.080 4.627 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.845 10.991 4.954 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.435 10.222 5.655 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.475 12.406 2.024 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.667 12.301 1.195 1.00 0.00 C ATOM 1271 C LYS B 28 -5.345 11.578 -0.105 1.00 0.00 C ATOM 1272 O LYS B 28 -6.055 10.656 -0.507 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.240 13.686 0.898 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.635 14.458 2.146 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.592 13.657 3.012 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.972 14.422 4.269 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.913 13.649 5.126 1.00 0.00 N ATOM 0 H LYS B 28 -4.146 13.360 2.170 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.415 11.726 1.742 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.503 14.264 0.341 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.113 13.579 0.255 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.742 14.706 2.720 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.102 15.401 1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.491 13.421 2.442 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.130 12.709 3.287 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.072 14.656 4.838 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.430 15.371 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.148 14.205 5.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.783 13.447 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.467 12.754 5.412 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.260 11.991 -0.751 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.837 11.367 -1.996 1.00 0.00 C ATOM 1293 C VAL B 29 -3.634 9.873 -1.790 1.00 0.00 C ATOM 1294 O VAL B 29 -4.030 9.059 -2.623 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.538 11.998 -2.538 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.085 11.299 -3.811 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.731 13.488 -2.781 1.00 0.00 C ATOM 0 H VAL B 29 -3.660 12.753 -0.433 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.625 11.533 -2.731 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.758 11.870 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.167 11.762 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.902 10.245 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.861 11.388 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.805 13.917 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.528 13.638 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.999 13.978 -1.845 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.035 9.519 -0.659 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.810 8.121 -0.333 1.00 0.00 C ATOM 1309 C VAL B 30 -4.154 7.423 -0.154 1.00 0.00 C ATOM 1310 O VAL B 30 -4.384 6.349 -0.702 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.970 7.962 0.946 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.654 6.494 1.198 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.692 8.782 0.852 1.00 0.00 C ATOM 0 H VAL B 30 -2.699 10.179 0.043 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.255 7.667 -1.154 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.551 8.335 1.789 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.059 6.401 2.107 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.583 5.936 1.314 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.093 6.093 0.354 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.111 8.657 1.766 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.104 8.443 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.944 9.835 0.724 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.057 8.052 0.602 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.387 7.489 0.818 1.00 0.00 C ATOM 1325 C LYS B 31 -7.009 7.090 -0.512 1.00 0.00 C ATOM 1326 O LYS B 31 -7.561 6.001 -0.654 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.292 8.489 1.541 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.944 8.665 3.007 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.726 9.803 3.650 1.00 0.00 C ATOM 1330 CE LYS B 31 -9.219 9.503 3.718 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.866 9.534 2.376 1.00 0.00 N ATOM 0 H LYS B 31 -4.892 8.943 1.070 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.285 6.603 1.445 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.226 9.455 1.041 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.327 8.157 1.458 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.149 7.738 3.542 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.876 8.859 3.105 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.346 9.981 4.656 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.566 10.719 3.082 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.370 8.522 4.168 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.704 10.230 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.767 10.049 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.239 10.013 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.044 8.561 2.054 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.890 7.980 -1.493 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.416 7.714 -2.824 1.00 0.00 C ATOM 1347 C GLN B 32 -6.752 6.463 -3.385 1.00 0.00 C ATOM 1348 O GLN B 32 -7.382 5.657 -4.071 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.169 8.908 -3.748 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.763 8.742 -5.140 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.285 8.656 -5.152 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.929 8.915 -4.015 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.884 8.376 -6.191 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.436 8.887 -1.390 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.492 7.555 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.588 9.803 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.095 9.069 -3.839 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.451 9.582 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.354 7.840 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.361 8.183 -7.045 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.903 8.337 -6.197 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.469 6.309 -3.067 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.687 5.160 -3.508 1.00 0.00 C ATOM 1364 C PHE B 33 -5.380 3.859 -3.095 1.00 0.00 C ATOM 1365 O PHE B 33 -5.788 3.061 -3.939 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.282 5.238 -2.891 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.294 4.285 -3.488 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.917 4.405 -4.815 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.747 3.262 -2.726 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -1.013 3.521 -5.372 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.842 2.379 -3.280 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.475 2.511 -4.606 1.00 0.00 C ATOM 0 H PHE B 33 -4.945 6.975 -2.499 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.604 5.172 -4.595 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.904 6.254 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.356 5.043 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.333 5.197 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.032 3.156 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.728 3.622 -6.409 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.422 1.587 -2.679 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.234 1.822 -5.041 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.519 3.672 -1.788 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.172 2.486 -1.239 1.00 0.00 C ATOM 1384 C PHE B 34 -7.655 2.492 -1.568 1.00 0.00 C ATOM 1385 O PHE B 34 -8.235 1.462 -1.906 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.942 2.414 0.264 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.485 2.395 0.598 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.622 1.572 -0.104 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.974 3.212 1.589 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.274 1.565 0.174 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.625 3.205 1.876 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.775 2.380 1.164 1.00 0.00 C ATOM 0 H PHE B 34 -5.186 4.330 -1.083 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.735 1.598 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.415 3.269 0.746 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.419 1.519 0.663 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.011 0.928 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.636 3.861 2.143 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.610 0.921 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.234 3.843 2.655 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.718 2.375 1.385 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.259 3.668 -1.490 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.669 3.827 -1.806 1.00 0.00 C ATOM 1404 C ASN B 35 -9.973 3.186 -3.156 1.00 0.00 C ATOM 1405 O ASN B 35 -11.014 2.555 -3.351 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.007 5.316 -1.862 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.469 5.579 -2.138 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -12.056 5.008 -3.057 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.056 6.469 -1.353 1.00 0.00 N ATOM 0 H ASN B 35 -7.791 4.530 -1.209 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.269 3.341 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.732 5.781 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.405 5.791 -2.637 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.037 6.708 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.527 6.916 -0.604 1.00 0.00 H new ATOM 1416 N ASP B 36 -9.038 3.366 -4.082 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.163 2.824 -5.432 1.00 0.00 C ATOM 1418 C ASP B 36 -8.467 1.469 -5.588 1.00 0.00 C ATOM 1419 O ASP B 36 -8.822 0.692 -6.473 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.608 3.818 -6.452 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.356 5.138 -6.440 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.577 5.130 -6.702 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.719 6.177 -6.170 1.00 0.00 O ATOM 0 H ASP B 36 -8.177 3.888 -3.921 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.225 2.663 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.554 3.999 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.664 3.381 -7.449 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.489 1.172 -4.730 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.790 -0.112 -4.812 1.00 0.00 C ATOM 1430 C ASN B 37 -7.626 -1.200 -4.159 1.00 0.00 C ATOM 1431 O ASN B 37 -7.796 -2.285 -4.713 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.419 -0.056 -4.130 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.448 0.880 -4.815 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.373 0.923 -6.043 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.668 1.611 -4.025 1.00 0.00 N ATOM 0 H ASN B 37 -7.168 1.789 -3.984 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.639 -0.336 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.548 0.260 -3.095 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.991 -1.058 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.974 2.238 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.763 1.545 -3.012 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.136 -0.874 -2.972 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.965 -1.779 -2.189 1.00 0.00 C ATOM 1444 C GLY B 38 -9.314 -3.092 -2.866 1.00 0.00 C ATOM 1445 O GLY B 38 -8.449 -3.936 -3.101 1.00 0.00 O ATOM 0 H GLY B 38 -7.983 0.031 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.451 -1.998 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.891 -1.265 -1.931 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.605 -3.289 -3.105 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.099 -4.537 -3.675 1.00 0.00 C ATOM 1451 C VAL B 39 -11.532 -4.430 -5.137 1.00 0.00 C ATOM 1452 O VAL B 39 -12.013 -5.412 -5.704 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.307 -5.030 -2.867 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.781 -6.393 -3.353 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.978 -5.068 -1.384 1.00 0.00 C ATOM 0 H VAL B 39 -11.331 -2.599 -2.912 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.259 -5.231 -3.630 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.123 -4.324 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.638 -6.713 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.071 -6.325 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.974 -7.118 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.847 -5.420 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.140 -5.744 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.711 -4.067 -1.045 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.379 -3.272 -5.765 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.788 -3.132 -7.163 1.00 0.00 C ATOM 1467 C ASP B 40 -10.647 -2.622 -8.046 1.00 0.00 C ATOM 1468 O ASP B 40 -10.880 -2.175 -9.169 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.987 -2.185 -7.269 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.191 -2.682 -6.492 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.097 -3.768 -5.879 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.229 -1.987 -6.496 1.00 0.00 O ATOM 0 H ASP B 40 -10.984 -2.431 -5.344 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.068 -4.123 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.702 -1.200 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.260 -2.065 -8.318 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.418 -2.678 -7.537 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.278 -2.206 -8.308 1.00 0.00 C ATOM 1479 C GLY B 41 -7.761 -3.233 -9.301 1.00 0.00 C ATOM 1480 O GLY B 41 -8.208 -4.380 -9.309 1.00 0.00 O ATOM 0 H GLY B 41 -9.191 -3.039 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.561 -1.301 -8.845 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.473 -1.933 -7.625 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.810 -2.817 -10.136 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.217 -3.700 -11.137 1.00 0.00 C ATOM 1486 C GLU B 42 -4.890 -4.259 -10.634 1.00 0.00 C ATOM 1487 O GLU B 42 -3.867 -3.568 -10.650 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.001 -2.948 -12.452 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.279 -2.382 -13.051 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.292 -3.458 -13.392 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.741 -4.168 -12.468 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.639 -3.590 -14.585 1.00 0.00 O ATOM 0 H GLU B 42 -6.433 -1.869 -10.138 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.904 -4.528 -11.314 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.298 -2.133 -12.282 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.540 -3.622 -13.174 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.725 -1.679 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.035 -1.820 -13.952 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.919 -5.500 -10.160 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.729 -6.144 -9.617 1.00 0.00 C ATOM 1501 C TRP B 43 -3.021 -7.030 -10.637 1.00 0.00 C ATOM 1502 O TRP B 43 -3.583 -8.015 -11.116 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.112 -6.999 -8.412 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.786 -6.238 -7.314 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.846 -5.381 -7.422 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.442 -6.281 -5.931 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.178 -4.891 -6.180 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.328 -5.430 -5.251 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.465 -6.961 -5.202 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.268 -5.242 -3.874 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.405 -6.776 -3.839 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.301 -5.922 -3.185 1.00 0.00 C ATOM 0 H TRP B 43 -5.757 -6.081 -10.141 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.042 -5.348 -9.330 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.773 -7.800 -8.743 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.214 -7.471 -8.014 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.347 -5.127 -8.344 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.933 -4.234 -5.983 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.769 -7.621 -5.698 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.959 -4.584 -3.368 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.654 -7.298 -3.265 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.227 -5.797 -2.115 1.00 0.00 H new ATOM 1523 N THR B 44 -1.772 -6.689 -10.944 1.00 0.00 N ATOM 1524 CA THR B 44 -0.971 -7.469 -11.881 1.00 0.00 C ATOM 1525 C THR B 44 0.136 -8.208 -11.129 1.00 0.00 C ATOM 1526 O THR B 44 0.780 -7.640 -10.247 1.00 0.00 O ATOM 1527 CB THR B 44 -0.372 -6.563 -12.957 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.395 -5.527 -12.370 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.414 -5.917 -13.842 1.00 0.00 C ATOM 0 H THR B 44 -1.293 -5.876 -10.556 1.00 0.00 H new ATOM 0 HA THR B 44 -1.615 -8.200 -12.370 1.00 0.00 H new ATOM 0 HB THR B 44 0.249 -7.215 -13.571 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.122 -5.407 -11.436 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.922 -5.288 -14.583 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.991 -6.690 -14.348 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.081 -5.307 -13.233 1.00 0.00 H new ATOM 1537 N TYR B 45 0.342 -9.479 -11.465 1.00 0.00 N ATOM 1538 CA TYR B 45 1.359 -10.289 -10.796 1.00 0.00 C ATOM 1539 C TYR B 45 2.566 -10.543 -11.697 1.00 0.00 C ATOM 1540 O TYR B 45 2.429 -10.707 -12.909 1.00 0.00 O ATOM 1541 CB TYR B 45 0.756 -11.624 -10.351 1.00 0.00 C ATOM 1542 CG TYR B 45 1.743 -12.544 -9.666 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.586 -12.072 -8.667 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.831 -13.885 -10.019 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.488 -12.911 -8.040 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.729 -14.730 -9.396 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.555 -14.239 -8.408 1.00 0.00 C ATOM 1548 OH TYR B 45 4.453 -15.077 -7.785 1.00 0.00 O ATOM 0 H TYR B 45 -0.178 -9.969 -12.193 1.00 0.00 H new ATOM 0 HA TYR B 45 1.703 -9.732 -9.925 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.075 -11.428 -9.673 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.343 -12.133 -11.222 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.536 -11.033 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR B 45 1.186 -14.273 -10.794 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.137 -12.529 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.783 -15.770 -9.682 1.00 0.00 H new ATOM 0 HH TYR B 45 4.373 -15.979 -8.159 1.00 0.00 H new ATOM 1558 N ASP B 46 3.748 -10.585 -11.084 1.00 0.00 N ATOM 1559 CA ASP B 46 4.987 -10.829 -11.815 1.00 0.00 C ATOM 1560 C ASP B 46 5.713 -12.048 -11.245 1.00 0.00 C ATOM 1561 O ASP B 46 6.631 -11.916 -10.437 1.00 0.00 O ATOM 1562 CB ASP B 46 5.895 -9.599 -11.746 1.00 0.00 C ATOM 1563 CG ASP B 46 7.191 -9.790 -12.510 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.954 -10.713 -12.162 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.442 -9.014 -13.456 1.00 0.00 O ATOM 0 H ASP B 46 3.872 -10.453 -10.080 1.00 0.00 H new ATOM 0 HA ASP B 46 4.738 -11.026 -12.858 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.364 -8.736 -12.148 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.121 -9.376 -10.703 1.00 0.00 H new ATOM 1570 N ASP B 47 5.278 -13.232 -11.666 1.00 0.00 N ATOM 1571 CA ASP B 47 5.868 -14.487 -11.198 1.00 0.00 C ATOM 1572 C ASP B 47 7.394 -14.450 -11.250 1.00 0.00 C ATOM 1573 O ASP B 47 8.066 -15.021 -10.390 1.00 0.00 O ATOM 1574 CB ASP B 47 5.353 -15.655 -12.041 1.00 0.00 C ATOM 1575 CG ASP B 47 3.846 -15.803 -11.965 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.136 -14.845 -12.335 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.377 -16.878 -11.536 1.00 0.00 O ATOM 0 H ASP B 47 4.516 -13.351 -12.333 1.00 0.00 H new ATOM 0 HA ASP B 47 5.570 -14.623 -10.158 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.649 -15.508 -13.080 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.823 -16.578 -11.703 1.00 0.00 H new ATOM 1582 N ALA B 48 7.937 -13.795 -12.271 1.00 0.00 N ATOM 1583 CA ALA B 48 9.384 -13.707 -12.445 1.00 0.00 C ATOM 1584 C ALA B 48 10.088 -13.266 -11.164 1.00 0.00 C ATOM 1585 O ALA B 48 11.209 -13.691 -10.886 1.00 0.00 O ATOM 1586 CB ALA B 48 9.716 -12.754 -13.583 1.00 0.00 C ATOM 0 H ALA B 48 7.397 -13.316 -12.992 1.00 0.00 H new ATOM 0 HA ALA B 48 9.748 -14.705 -12.690 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.798 -12.695 -13.705 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.266 -13.119 -14.506 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.322 -11.764 -13.355 1.00 0.00 H new ATOM 1592 N THR B 49 9.430 -12.414 -10.386 1.00 0.00 N ATOM 1593 CA THR B 49 10.008 -11.928 -9.138 1.00 0.00 C ATOM 1594 C THR B 49 9.050 -12.113 -7.963 1.00 0.00 C ATOM 1595 O THR B 49 9.236 -11.509 -6.907 1.00 0.00 O ATOM 1596 CB THR B 49 10.386 -10.451 -9.269 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.250 -9.669 -9.590 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.437 -10.192 -10.328 1.00 0.00 C ATOM 0 H THR B 49 8.502 -12.047 -10.595 1.00 0.00 H new ATOM 0 HA THR B 49 10.903 -12.517 -8.940 1.00 0.00 H new ATOM 0 HB THR B 49 10.796 -10.172 -8.299 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.889 -9.956 -10.455 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.658 -9.125 -10.368 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.345 -10.742 -10.081 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.065 -10.522 -11.298 1.00 0.00 H new ATOM 1606 N LYS B 50 8.020 -12.940 -8.148 1.00 0.00 N ATOM 1607 CA LYS B 50 7.044 -13.176 -7.087 1.00 0.00 C ATOM 1608 C LYS B 50 6.540 -11.838 -6.549 1.00 0.00 C ATOM 1609 O LYS B 50 6.247 -11.702 -5.361 1.00 0.00 O ATOM 1610 CB LYS B 50 7.688 -13.980 -5.953 1.00 0.00 C ATOM 1611 CG LYS B 50 8.509 -15.165 -6.438 1.00 0.00 C ATOM 1612 CD LYS B 50 7.649 -16.218 -7.122 1.00 0.00 C ATOM 1613 CE LYS B 50 6.950 -17.113 -6.120 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.860 -16.395 -5.416 1.00 0.00 N ATOM 0 H LYS B 50 7.842 -13.452 -9.012 1.00 0.00 H new ATOM 0 HA LYS B 50 6.205 -13.743 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.329 -13.319 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.906 -14.340 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS B 50 9.273 -14.816 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.028 -15.616 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.906 -15.728 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS B 50 8.272 -16.825 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.542 -17.984 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.674 -17.481 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 5.348 -17.059 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 6.264 -15.629 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 5.202 -15.993 -6.114 1.00 0.00 H new ATOM 1628 N THR B 51 6.478 -10.844 -7.434 1.00 0.00 N ATOM 1629 CA THR B 51 6.054 -9.501 -7.058 1.00 0.00 C ATOM 1630 C THR B 51 4.658 -9.167 -7.586 1.00 0.00 C ATOM 1631 O THR B 51 4.255 -9.631 -8.653 1.00 0.00 O ATOM 1632 CB THR B 51 7.074 -8.485 -7.585 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.352 -8.728 -7.023 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.720 -7.043 -7.296 1.00 0.00 C ATOM 0 H THR B 51 6.718 -10.947 -8.420 1.00 0.00 H new ATOM 0 HA THR B 51 6.004 -9.455 -5.970 1.00 0.00 H new ATOM 0 HB THR B 51 7.071 -8.623 -8.666 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.978 -8.983 -7.732 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.493 -6.390 -7.702 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.763 -6.804 -7.759 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.649 -6.895 -6.218 1.00 0.00 H new ATOM 1642 N PHE B 52 3.933 -8.343 -6.828 1.00 0.00 N ATOM 1643 CA PHE B 52 2.586 -7.922 -7.207 1.00 0.00 C ATOM 1644 C PHE B 52 2.542 -6.419 -7.477 1.00 0.00 C ATOM 1645 O PHE B 52 2.776 -5.616 -6.583 1.00 0.00 O ATOM 1646 CB PHE B 52 1.586 -8.264 -6.101 1.00 0.00 C ATOM 1647 CG PHE B 52 1.428 -9.737 -5.854 1.00 0.00 C ATOM 1648 CD1 PHE B 52 0.704 -10.525 -6.732 1.00 0.00 C ATOM 1649 CD2 PHE B 52 1.999 -10.330 -4.737 1.00 0.00 C ATOM 1650 CE1 PHE B 52 0.550 -11.879 -6.504 1.00 0.00 C ATOM 1651 CE2 PHE B 52 1.848 -11.684 -4.505 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.124 -12.458 -5.389 1.00 0.00 C ATOM 0 H PHE B 52 4.259 -7.953 -5.944 1.00 0.00 H new ATOM 0 HA PHE B 52 2.315 -8.456 -8.118 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.904 -7.783 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.615 -7.843 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.254 -10.076 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE B 52 2.566 -9.728 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.018 -12.483 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE B 52 2.296 -12.136 -3.633 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.006 -13.516 -5.209 1.00 0.00 H new ATOM 1662 N THR B 53 2.208 -6.047 -8.704 1.00 0.00 N ATOM 1663 CA THR B 53 2.107 -4.638 -9.068 1.00 0.00 C ATOM 1664 C THR B 53 0.657 -4.177 -9.115 1.00 0.00 C ATOM 1665 O THR B 53 -0.164 -4.723 -9.853 1.00 0.00 O ATOM 1666 CB THR B 53 2.803 -4.351 -10.400 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.578 -5.398 -11.324 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.296 -4.140 -10.270 1.00 0.00 C ATOM 0 H THR B 53 2.003 -6.697 -9.463 1.00 0.00 H new ATOM 0 HA THR B 53 2.618 -4.071 -8.290 1.00 0.00 H new ATOM 0 HB THR B 53 2.363 -3.420 -10.758 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.858 -5.143 -11.938 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.722 -3.942 -11.253 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.488 -3.291 -9.613 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.755 -5.035 -9.850 1.00 0.00 H new ATOM 1676 N VAL B 54 0.364 -3.147 -8.332 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.971 -2.570 -8.277 1.00 0.00 C ATOM 1678 C VAL B 54 -0.962 -1.205 -8.951 1.00 0.00 C ATOM 1679 O VAL B 54 -0.430 -0.238 -8.404 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.469 -2.430 -6.822 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.875 -1.848 -6.783 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.423 -3.775 -6.114 1.00 0.00 C ATOM 0 H VAL B 54 1.041 -2.691 -7.721 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.652 -3.240 -8.801 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.806 -1.742 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.203 -1.759 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.874 -0.863 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.556 -2.505 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.777 -3.659 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.061 -4.485 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.398 -4.146 -6.104 1.00 0.00 H new ATOM 1692 N THR B 55 -1.525 -1.135 -10.152 1.00 0.00 N ATOM 1693 CA THR B 55 -1.545 0.115 -10.899 1.00 0.00 C ATOM 1694 C THR B 55 -2.878 0.839 -10.745 1.00 0.00 C ATOM 1695 O THR B 55 -3.925 0.323 -11.133 1.00 0.00 O ATOM 1696 CB THR B 55 -1.252 -0.134 -12.376 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.101 -0.946 -12.529 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.010 1.143 -13.150 1.00 0.00 C ATOM 0 H THR B 55 -1.970 -1.922 -10.625 1.00 0.00 H new ATOM 0 HA THR B 55 -0.764 0.753 -10.486 1.00 0.00 H new ATOM 0 HB THR B 55 -2.139 -0.628 -12.772 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.069 -1.096 -13.482 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.807 0.903 -14.194 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.894 1.778 -13.089 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.155 1.669 -12.726 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.823 2.039 -10.177 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.021 2.845 -9.968 1.00 0.00 C ATOM 1708 C GLU B 56 -4.753 3.086 -11.285 1.00 0.00 C ATOM 1709 O GLU B 56 -5.990 2.916 -11.313 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.644 4.180 -9.322 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.828 5.103 -9.089 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.874 4.489 -8.180 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.532 4.150 -7.028 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -7.034 4.348 -8.621 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.083 3.444 -12.277 1.00 0.00 O ATOM 0 H GLU B 56 -1.960 2.476 -9.853 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.691 2.300 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.153 3.986 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.918 4.688 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.475 6.037 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.285 5.351 -10.047 1.00 0.00 H new TER 1722 GLU B 56