USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=38 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 -79:sc= 1.28 USER MOD Set 1.2: B 51 THR OG1 : rot 61:sc= 1 USER MOD Set 2.1: B 44 THR OG1 : rot 43:sc= 1.53 USER MOD Set 2.2: B 53 THR OG1 : rot 109:sc= 1.82 USER MOD Set 3.1: A 49 THR OG1 : rot -77:sc= 1.28 USER MOD Set 3.2: A 51 THR OG1 : rot 59:sc= 1.01 USER MOD Set 4.1: A 50 LYS NZ :NH3+ 170:sc= -3.23! (180deg=-3.87!) USER MOD Set 4.2: B 1 MET CE :methyl -143:sc= -5.79! (180deg=-5.69!) USER MOD Set 5.1: A 44 THR OG1 : rot 43:sc= 1.57 USER MOD Set 5.2: A 53 THR OG1 : rot 109:sc= 1.82 USER MOD Set 6.1: A 1 MET CE :methyl -146:sc= -5.23! (180deg=-8.54!) USER MOD Set 6.2: B 50 LYS NZ :NH3+ 158:sc= -2.46 (180deg=-3.81!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.0833 (180deg=-1.93) USER MOD Single : A 8 ASN : amide:sc= -5.53! C(o=-5.5!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.474 (180deg=-1.24) USER MOD Single : A 11 THR OG1 : rot -177:sc= -3.99! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 177:sc= -5.12! USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.282 USER MOD Single : A 18 THR OG1 : rot 29:sc= -0.0859 USER MOD Single : A 25 THR OG1 : rot -42:sc= -0.529! USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= -2.67! (180deg=-5.17!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -0.0117 (180deg=-0.109) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.67 F(o=-3,f=-1.7) USER MOD Single : A 35 ASN : amide:sc= -2.99! C(o=-3!,f=-4.5!) USER MOD Single : A 37 ASN : amide:sc= -7.02! C(o=-7!,f=-6.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.18 USER MOD Single : B 4 LYS NZ :NH3+ -149:sc= -0.0771 (180deg=-1.93) USER MOD Single : B 8 ASN : amide:sc= -5.48! C(o=-5.5!,f=-11!) USER MOD Single : B 10 LYS NZ :NH3+ 168:sc= -0.58 (180deg=-1.31) USER MOD Single : B 11 THR OG1 : rot -172:sc= -4.03! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 160:sc= -5.17! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.291 USER MOD Single : B 18 THR OG1 : rot 30:sc= -0.0982 USER MOD Single : B 25 THR OG1 : rot -41:sc= -0.502! USER MOD Single : B 28 LYS NZ :NH3+ 142:sc= -2.67! (180deg=-5.05!) USER MOD Single : B 31 LYS NZ :NH3+ -171:sc= -0.0205 (180deg=-0.118) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.73 F(o=-3,f=-1.7) USER MOD Single : B 35 ASN : amide:sc= -3! C(o=-3!,f=-4.5!) USER MOD Single : B 37 ASN : amide:sc= -7.02! C(o=-7!,f=-6.7!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.177 -18.583 2.519 1.00 0.00 N ATOM 2 CA MET A 1 7.228 -17.925 1.187 1.00 0.00 C ATOM 3 C MET A 1 6.866 -16.449 1.307 1.00 0.00 C ATOM 4 O MET A 1 5.729 -16.103 1.627 1.00 0.00 O ATOM 5 CB MET A 1 6.245 -18.646 0.258 1.00 0.00 C ATOM 6 CG MET A 1 6.397 -18.325 -1.227 1.00 0.00 C ATOM 7 SD MET A 1 8.051 -18.614 -1.887 1.00 0.00 S ATOM 8 CE MET A 1 8.967 -17.182 -1.328 1.00 0.00 C ATOM 0 H1 MET A 1 7.426 -19.588 2.420 1.00 0.00 H new ATOM 0 H2 MET A 1 7.852 -18.121 3.161 1.00 0.00 H new ATOM 0 H3 MET A 1 6.217 -18.502 2.910 1.00 0.00 H new ATOM 0 HA MET A 1 8.237 -17.986 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.363 -19.721 0.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.230 -18.395 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.684 -18.926 -1.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.132 -17.280 -1.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.710 -16.910 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.282 -16.348 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.468 -17.415 -0.388 1.00 0.00 H new ATOM 20 N GLN A 2 7.835 -15.584 1.039 1.00 0.00 N ATOM 21 CA GLN A 2 7.617 -14.147 1.105 1.00 0.00 C ATOM 22 C GLN A 2 7.369 -13.589 -0.289 1.00 0.00 C ATOM 23 O GLN A 2 8.025 -13.987 -1.252 1.00 0.00 O ATOM 24 CB GLN A 2 8.821 -13.450 1.744 1.00 0.00 C ATOM 25 CG GLN A 2 8.655 -11.945 1.875 1.00 0.00 C ATOM 26 CD GLN A 2 9.855 -11.279 2.519 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.213 -11.584 3.657 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.484 -10.362 1.793 1.00 0.00 N ATOM 0 H GLN A 2 8.782 -15.854 0.773 1.00 0.00 H new ATOM 0 HA GLN A 2 6.739 -13.959 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.994 -13.875 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.709 -13.658 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.492 -11.514 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.765 -11.732 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.153 -10.140 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.298 -9.880 2.174 1.00 0.00 H new ATOM 37 N TYR A 3 6.424 -12.666 -0.391 1.00 0.00 N ATOM 38 CA TYR A 3 6.095 -12.056 -1.673 1.00 0.00 C ATOM 39 C TYR A 3 6.267 -10.544 -1.606 1.00 0.00 C ATOM 40 O TYR A 3 5.943 -9.918 -0.597 1.00 0.00 O ATOM 41 CB TYR A 3 4.661 -12.405 -2.081 1.00 0.00 C ATOM 42 CG TYR A 3 4.455 -13.871 -2.393 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.310 -14.809 -1.377 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.406 -14.316 -3.710 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.122 -16.148 -1.664 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.218 -15.651 -4.004 1.00 0.00 C ATOM 47 CZ TYR A 3 4.078 -16.562 -2.979 1.00 0.00 C ATOM 48 OH TYR A 3 3.892 -17.896 -3.273 1.00 0.00 O ATOM 0 H TYR A 3 5.872 -12.323 0.395 1.00 0.00 H new ATOM 0 HA TYR A 3 6.778 -12.452 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.984 -12.115 -1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.388 -11.815 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.345 -14.486 -0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.517 -13.605 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.010 -16.865 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.181 -15.980 -5.032 1.00 0.00 H new ATOM 0 HH TYR A 3 3.884 -18.019 -4.245 1.00 0.00 H new ATOM 58 N LYS A 4 6.778 -9.962 -2.684 1.00 0.00 N ATOM 59 CA LYS A 4 6.989 -8.520 -2.734 1.00 0.00 C ATOM 60 C LYS A 4 5.931 -7.852 -3.602 1.00 0.00 C ATOM 61 O LYS A 4 5.946 -7.977 -4.824 1.00 0.00 O ATOM 62 CB LYS A 4 8.387 -8.206 -3.270 1.00 0.00 C ATOM 63 CG LYS A 4 8.678 -6.717 -3.373 1.00 0.00 C ATOM 64 CD LYS A 4 10.081 -6.456 -3.901 1.00 0.00 C ATOM 65 CE LYS A 4 10.372 -4.966 -3.995 1.00 0.00 C ATOM 66 NZ LYS A 4 9.422 -4.270 -4.907 1.00 0.00 N ATOM 0 H LYS A 4 7.052 -10.462 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 4 6.904 -8.126 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.129 -8.669 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.500 -8.659 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.947 -6.248 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.566 -6.255 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.812 -6.930 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.192 -6.912 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.313 -4.521 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.392 -4.817 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.901 -3.464 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.096 -4.932 -5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.605 -3.927 -4.362 1.00 0.00 H new ATOM 80 N VAL A 5 5.013 -7.131 -2.963 1.00 0.00 N ATOM 81 CA VAL A 5 3.958 -6.442 -3.688 1.00 0.00 C ATOM 82 C VAL A 5 4.350 -4.994 -3.957 1.00 0.00 C ATOM 83 O VAL A 5 4.889 -4.309 -3.091 1.00 0.00 O ATOM 84 CB VAL A 5 2.614 -6.489 -2.928 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.520 -5.786 -3.723 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.220 -7.928 -2.626 1.00 0.00 C ATOM 0 H VAL A 5 4.981 -7.011 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 5 3.826 -6.962 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 5 2.738 -5.962 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.582 -5.831 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.798 -4.744 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.396 -6.280 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.271 -7.941 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.117 -8.481 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.990 -8.395 -2.011 1.00 0.00 H new ATOM 96 N ILE A 6 4.086 -4.548 -5.172 1.00 0.00 N ATOM 97 CA ILE A 6 4.408 -3.194 -5.595 1.00 0.00 C ATOM 98 C ILE A 6 3.129 -2.385 -5.799 1.00 0.00 C ATOM 99 O ILE A 6 2.206 -2.827 -6.480 1.00 0.00 O ATOM 100 CB ILE A 6 5.237 -3.229 -6.898 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.579 -3.917 -6.646 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.454 -1.835 -7.460 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.429 -4.060 -7.889 1.00 0.00 C ATOM 0 H ILE A 6 3.642 -5.114 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 6 5.000 -2.713 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 6 4.675 -3.798 -7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.134 -3.349 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.397 -4.906 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.041 -1.899 -8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.490 -1.377 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.988 -1.227 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.365 -4.556 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.893 -4.654 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.642 -3.073 -8.300 1.00 0.00 H new ATOM 115 N LEU A 7 3.067 -1.213 -5.178 1.00 0.00 N ATOM 116 CA LEU A 7 1.884 -0.363 -5.269 1.00 0.00 C ATOM 117 C LEU A 7 2.160 0.869 -6.137 1.00 0.00 C ATOM 118 O LEU A 7 2.783 1.830 -5.686 1.00 0.00 O ATOM 119 CB LEU A 7 1.458 0.054 -3.857 1.00 0.00 C ATOM 120 CG LEU A 7 1.580 -1.049 -2.805 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.116 -0.541 -1.448 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.788 -2.277 -3.232 1.00 0.00 C ATOM 0 H LEU A 7 3.820 -0.829 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 7 1.077 -0.922 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.064 0.905 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.423 0.395 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 7 2.628 -1.337 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.209 -1.338 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.732 0.306 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.074 -0.227 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.884 -3.054 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.263 -2.010 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.175 -2.647 -4.182 1.00 0.00 H new ATOM 134 N ASN A 8 1.698 0.828 -7.390 1.00 0.00 N ATOM 135 CA ASN A 8 1.902 1.937 -8.325 1.00 0.00 C ATOM 136 C ASN A 8 0.616 2.721 -8.565 1.00 0.00 C ATOM 137 O ASN A 8 -0.278 2.257 -9.263 1.00 0.00 O ATOM 138 CB ASN A 8 2.431 1.421 -9.665 1.00 0.00 C ATOM 139 CG ASN A 8 3.819 0.832 -9.554 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.033 -0.129 -8.823 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.770 1.410 -10.278 1.00 0.00 N ATOM 0 H ASN A 8 1.181 0.040 -7.780 1.00 0.00 H new ATOM 0 HA ASN A 8 2.634 2.604 -7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.749 0.664 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.444 2.239 -10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.726 1.056 -10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.545 2.208 -10.872 1.00 0.00 H new ATOM 148 N GLY A 9 0.528 3.914 -7.988 1.00 0.00 N ATOM 149 CA GLY A 9 -0.656 4.734 -8.166 1.00 0.00 C ATOM 150 C GLY A 9 -0.389 5.964 -9.010 1.00 0.00 C ATOM 151 O GLY A 9 0.657 6.071 -9.650 1.00 0.00 O ATOM 0 H GLY A 9 1.253 4.327 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.439 4.138 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.031 5.042 -7.190 1.00 0.00 H new ATOM 155 N LYS A 10 -1.339 6.890 -9.011 1.00 0.00 N ATOM 156 CA LYS A 10 -1.205 8.118 -9.787 1.00 0.00 C ATOM 157 C LYS A 10 -0.160 9.046 -9.174 1.00 0.00 C ATOM 158 O LYS A 10 0.776 9.473 -9.852 1.00 0.00 O ATOM 159 CB LYS A 10 -2.550 8.842 -9.879 1.00 0.00 C ATOM 160 CG LYS A 10 -3.522 8.252 -10.893 1.00 0.00 C ATOM 161 CD LYS A 10 -3.757 6.762 -10.683 1.00 0.00 C ATOM 162 CE LYS A 10 -2.747 5.917 -11.448 1.00 0.00 C ATOM 163 NZ LYS A 10 -3.005 4.461 -11.288 1.00 0.00 N ATOM 0 H LYS A 10 -2.209 6.815 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.877 7.843 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.021 8.832 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.369 9.886 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.474 8.779 -10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.136 8.417 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.694 6.530 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.766 6.504 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.783 6.178 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.741 6.148 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.434 3.930 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.749 4.167 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.013 4.267 -11.453 1.00 0.00 H new ATOM 177 N THR A 11 -0.333 9.372 -7.896 1.00 0.00 N ATOM 178 CA THR A 11 0.580 10.260 -7.200 1.00 0.00 C ATOM 179 C THR A 11 1.261 9.555 -6.035 1.00 0.00 C ATOM 180 O THR A 11 1.812 10.202 -5.145 1.00 0.00 O ATOM 181 CB THR A 11 -0.194 11.469 -6.683 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.442 11.067 -6.150 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.463 12.510 -7.742 1.00 0.00 C ATOM 0 H THR A 11 -1.104 9.029 -7.322 1.00 0.00 H new ATOM 0 HA THR A 11 1.353 10.577 -7.900 1.00 0.00 H new ATOM 0 HB THR A 11 0.443 11.914 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.946 11.858 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.017 13.340 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.483 12.875 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.050 12.067 -8.547 1.00 0.00 H new ATOM 191 N LEU A 12 1.211 8.231 -6.037 1.00 0.00 N ATOM 192 CA LEU A 12 1.816 7.455 -4.972 1.00 0.00 C ATOM 193 C LEU A 12 2.475 6.193 -5.513 1.00 0.00 C ATOM 194 O LEU A 12 1.935 5.520 -6.390 1.00 0.00 O ATOM 195 CB LEU A 12 0.756 7.106 -3.925 1.00 0.00 C ATOM 196 CG LEU A 12 1.242 6.241 -2.770 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.485 6.852 -2.154 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.147 6.081 -1.723 1.00 0.00 C ATOM 0 H LEU A 12 0.759 7.676 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 12 2.596 8.056 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.352 8.033 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.066 6.591 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 12 1.491 5.251 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.827 6.228 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.270 6.918 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.254 7.850 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.513 5.460 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.133 7.061 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.724 5.608 -2.177 1.00 0.00 H new ATOM 210 N LYS A 13 3.647 5.876 -4.971 1.00 0.00 N ATOM 211 CA LYS A 13 4.390 4.691 -5.382 1.00 0.00 C ATOM 212 C LYS A 13 5.125 4.089 -4.191 1.00 0.00 C ATOM 213 O LYS A 13 5.546 4.812 -3.290 1.00 0.00 O ATOM 214 CB LYS A 13 5.380 5.041 -6.494 1.00 0.00 C ATOM 215 CG LYS A 13 4.714 5.581 -7.751 1.00 0.00 C ATOM 216 CD LYS A 13 5.736 5.896 -8.832 1.00 0.00 C ATOM 217 CE LYS A 13 5.068 6.425 -10.091 1.00 0.00 C ATOM 218 NZ LYS A 13 6.060 6.736 -11.159 1.00 0.00 N ATOM 0 H LYS A 13 4.103 6.426 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 13 3.684 3.955 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.087 5.781 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.955 4.152 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.998 4.850 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.151 6.482 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.447 6.633 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.304 4.997 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.356 5.688 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.500 7.324 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.564 7.094 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.725 7.458 -10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.585 5.873 -11.408 1.00 0.00 H new ATOM 232 N GLY A 14 5.281 2.769 -4.182 1.00 0.00 N ATOM 233 CA GLY A 14 5.969 2.127 -3.077 1.00 0.00 C ATOM 234 C GLY A 14 6.158 0.636 -3.260 1.00 0.00 C ATOM 235 O GLY A 14 5.805 0.075 -4.298 1.00 0.00 O ATOM 0 H GLY A 14 4.948 2.138 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.945 2.595 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.407 2.303 -2.160 1.00 0.00 H new ATOM 239 N GLU A 15 6.710 -0.007 -2.235 1.00 0.00 N ATOM 240 CA GLU A 15 6.946 -1.444 -2.256 1.00 0.00 C ATOM 241 C GLU A 15 6.536 -2.066 -0.925 1.00 0.00 C ATOM 242 O GLU A 15 6.847 -1.536 0.141 1.00 0.00 O ATOM 243 CB GLU A 15 8.419 -1.755 -2.541 1.00 0.00 C ATOM 244 CG GLU A 15 8.907 -1.268 -3.897 1.00 0.00 C ATOM 245 CD GLU A 15 8.988 0.244 -3.987 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.712 0.849 -3.168 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.332 0.823 -4.879 1.00 0.00 O ATOM 0 H GLU A 15 7.004 0.451 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 15 6.341 -1.873 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.032 -1.301 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.570 -2.833 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.891 -1.692 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.237 -1.638 -4.673 1.00 0.00 H new ATOM 254 N THR A 16 5.833 -3.188 -0.998 1.00 0.00 N ATOM 255 CA THR A 16 5.371 -3.884 0.193 1.00 0.00 C ATOM 256 C THR A 16 5.637 -5.385 0.089 1.00 0.00 C ATOM 257 O THR A 16 5.963 -5.890 -0.983 1.00 0.00 O ATOM 258 CB THR A 16 3.882 -3.608 0.422 1.00 0.00 C ATOM 259 OG1 THR A 16 3.314 -4.596 1.242 1.00 0.00 O ATOM 260 CG2 THR A 16 3.070 -3.542 -0.852 1.00 0.00 C ATOM 0 H THR A 16 5.570 -3.637 -1.875 1.00 0.00 H new ATOM 0 HA THR A 16 5.930 -3.508 1.050 1.00 0.00 H new ATOM 0 HB THR A 16 3.846 -2.628 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.375 -4.376 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.026 -3.344 -0.608 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.453 -2.743 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.145 -4.492 -1.381 1.00 0.00 H new ATOM 268 N THR A 17 5.523 -6.089 1.215 1.00 0.00 N ATOM 269 CA THR A 17 5.782 -7.526 1.236 1.00 0.00 C ATOM 270 C THR A 17 4.845 -8.283 2.178 1.00 0.00 C ATOM 271 O THR A 17 4.817 -8.034 3.383 1.00 0.00 O ATOM 272 CB THR A 17 7.230 -7.785 1.646 1.00 0.00 C ATOM 273 OG1 THR A 17 7.517 -7.167 2.888 1.00 0.00 O ATOM 274 CG2 THR A 17 8.240 -7.284 0.637 1.00 0.00 C ATOM 0 H THR A 17 5.256 -5.691 2.116 1.00 0.00 H new ATOM 0 HA THR A 17 5.599 -7.896 0.227 1.00 0.00 H new ATOM 0 HB THR A 17 7.320 -8.869 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.700 -7.122 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.247 -7.501 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.077 -7.782 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.124 -6.208 0.510 1.00 0.00 H new ATOM 282 N THR A 18 4.107 -9.236 1.614 1.00 0.00 N ATOM 283 CA THR A 18 3.190 -10.074 2.383 1.00 0.00 C ATOM 284 C THR A 18 3.758 -11.491 2.478 1.00 0.00 C ATOM 285 O THR A 18 4.344 -11.995 1.521 1.00 0.00 O ATOM 286 CB THR A 18 1.812 -10.108 1.714 1.00 0.00 C ATOM 287 OG1 THR A 18 0.891 -10.828 2.511 1.00 0.00 O ATOM 288 CG2 THR A 18 1.822 -10.738 0.338 1.00 0.00 C ATOM 0 H THR A 18 4.127 -9.449 0.617 1.00 0.00 H new ATOM 0 HA THR A 18 3.079 -9.657 3.384 1.00 0.00 H new ATOM 0 HB THR A 18 1.517 -9.064 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.148 -10.756 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.813 -10.728 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.487 -10.174 -0.316 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.173 -11.767 0.412 1.00 0.00 H new ATOM 296 N GLU A 19 3.584 -12.131 3.627 1.00 0.00 N ATOM 297 CA GLU A 19 4.084 -13.491 3.827 1.00 0.00 C ATOM 298 C GLU A 19 2.917 -14.469 3.797 1.00 0.00 C ATOM 299 O GLU A 19 2.086 -14.478 4.706 1.00 0.00 O ATOM 300 CB GLU A 19 4.829 -13.583 5.164 1.00 0.00 C ATOM 301 CG GLU A 19 5.707 -14.822 5.319 1.00 0.00 C ATOM 302 CD GLU A 19 4.926 -16.122 5.355 1.00 0.00 C ATOM 303 OE1 GLU A 19 4.419 -16.545 4.296 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.823 -16.721 6.447 1.00 0.00 O ATOM 0 H GLU A 19 3.102 -11.735 4.434 1.00 0.00 H new ATOM 0 HA GLU A 19 4.780 -13.745 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.452 -12.696 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.099 -13.568 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.418 -14.858 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.288 -14.732 6.237 1.00 0.00 H new ATOM 311 N ALA A 20 2.843 -15.285 2.748 1.00 0.00 N ATOM 312 CA ALA A 20 1.757 -16.245 2.618 1.00 0.00 C ATOM 313 C ALA A 20 2.228 -17.568 2.016 1.00 0.00 C ATOM 314 O ALA A 20 3.217 -17.620 1.283 1.00 0.00 O ATOM 315 CB ALA A 20 0.641 -15.646 1.778 1.00 0.00 C ATOM 0 H ALA A 20 3.518 -15.299 1.983 1.00 0.00 H new ATOM 0 HA ALA A 20 1.383 -16.464 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.170 -16.368 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.268 -14.742 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.024 -15.398 0.788 1.00 0.00 H new ATOM 321 N VAL A 21 1.516 -18.636 2.360 1.00 0.00 N ATOM 322 CA VAL A 21 1.846 -19.984 1.894 1.00 0.00 C ATOM 323 C VAL A 21 2.027 -20.033 0.376 1.00 0.00 C ATOM 324 O VAL A 21 2.896 -20.746 -0.129 1.00 0.00 O ATOM 325 CB VAL A 21 0.752 -20.989 2.292 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.185 -22.409 1.971 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.400 -20.843 3.764 1.00 0.00 C ATOM 0 H VAL A 21 0.697 -18.595 2.967 1.00 0.00 H new ATOM 0 HA VAL A 21 2.788 -20.255 2.372 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.143 -20.772 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.397 -23.104 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.373 -22.499 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.096 -22.645 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.376 -21.563 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.287 -21.029 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.036 -19.833 3.953 1.00 0.00 H new ATOM 337 N ASP A 22 1.215 -19.270 -0.345 1.00 0.00 N ATOM 338 CA ASP A 22 1.309 -19.232 -1.802 1.00 0.00 C ATOM 339 C ASP A 22 0.966 -17.848 -2.338 1.00 0.00 C ATOM 340 O ASP A 22 0.457 -16.998 -1.605 1.00 0.00 O ATOM 341 CB ASP A 22 0.409 -20.295 -2.440 1.00 0.00 C ATOM 342 CG ASP A 22 -1.060 -20.070 -2.156 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.388 -19.062 -1.504 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.883 -20.903 -2.589 1.00 0.00 O ATOM 0 H ASP A 22 0.489 -18.673 0.050 1.00 0.00 H new ATOM 0 HA ASP A 22 2.341 -19.454 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.569 -20.300 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.699 -21.279 -2.070 1.00 0.00 H new ATOM 349 N ALA A 23 1.255 -17.623 -3.616 1.00 0.00 N ATOM 350 CA ALA A 23 0.988 -16.335 -4.247 1.00 0.00 C ATOM 351 C ALA A 23 -0.458 -15.903 -4.050 1.00 0.00 C ATOM 352 O ALA A 23 -0.734 -14.732 -3.798 1.00 0.00 O ATOM 353 CB ALA A 23 1.330 -16.393 -5.728 1.00 0.00 C ATOM 0 H ALA A 23 1.674 -18.316 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 23 1.622 -15.590 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.126 -15.425 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.386 -16.636 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.724 -17.159 -6.212 1.00 0.00 H new ATOM 359 N ALA A 24 -1.378 -16.852 -4.159 1.00 0.00 N ATOM 360 CA ALA A 24 -2.791 -16.551 -3.980 1.00 0.00 C ATOM 361 C ALA A 24 -3.048 -16.062 -2.565 1.00 0.00 C ATOM 362 O ALA A 24 -3.578 -14.970 -2.367 1.00 0.00 O ATOM 363 CB ALA A 24 -3.643 -17.773 -4.292 1.00 0.00 C ATOM 0 H ALA A 24 -1.173 -17.829 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.069 -15.759 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.696 -17.528 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.476 -18.079 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.369 -18.588 -3.623 1.00 0.00 H new ATOM 369 N THR A 25 -2.647 -16.858 -1.577 1.00 0.00 N ATOM 370 CA THR A 25 -2.816 -16.474 -0.188 1.00 0.00 C ATOM 371 C THR A 25 -2.211 -15.099 0.026 1.00 0.00 C ATOM 372 O THR A 25 -2.825 -14.222 0.634 1.00 0.00 O ATOM 373 CB THR A 25 -2.163 -17.502 0.738 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.805 -17.693 0.408 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.844 -18.854 0.713 1.00 0.00 C ATOM 0 H THR A 25 -2.206 -17.767 -1.716 1.00 0.00 H new ATOM 0 HA THR A 25 -3.879 -16.440 0.050 1.00 0.00 H new ATOM 0 HB THR A 25 -2.264 -17.085 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.708 -17.738 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.329 -19.533 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.882 -18.744 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.812 -19.259 -0.298 1.00 0.00 H new ATOM 383 N ALA A 26 -1.012 -14.903 -0.515 1.00 0.00 N ATOM 384 CA ALA A 26 -0.345 -13.618 -0.420 1.00 0.00 C ATOM 385 C ALA A 26 -1.213 -12.558 -1.082 1.00 0.00 C ATOM 386 O ALA A 26 -1.538 -11.538 -0.479 1.00 0.00 O ATOM 387 CB ALA A 26 1.029 -13.680 -1.071 1.00 0.00 C ATOM 0 H ALA A 26 -0.488 -15.617 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.201 -13.358 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.514 -12.707 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.637 -14.432 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.922 -13.945 -2.123 1.00 0.00 H new ATOM 393 N GLU A 27 -1.599 -12.821 -2.330 1.00 0.00 N ATOM 394 CA GLU A 27 -2.446 -11.910 -3.085 1.00 0.00 C ATOM 395 C GLU A 27 -3.689 -11.535 -2.284 1.00 0.00 C ATOM 396 O GLU A 27 -4.016 -10.357 -2.143 1.00 0.00 O ATOM 397 CB GLU A 27 -2.854 -12.561 -4.407 1.00 0.00 C ATOM 398 CG GLU A 27 -3.651 -11.647 -5.321 1.00 0.00 C ATOM 399 CD GLU A 27 -2.850 -10.452 -5.797 1.00 0.00 C ATOM 400 OE1 GLU A 27 -2.396 -9.663 -4.944 1.00 0.00 O ATOM 401 OE2 GLU A 27 -2.675 -10.306 -7.025 1.00 0.00 O ATOM 0 H GLU A 27 -1.334 -13.664 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.882 -11.000 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.957 -12.890 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.445 -13.452 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.996 -12.215 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.539 -11.297 -4.794 1.00 0.00 H new ATOM 408 N LYS A 28 -4.374 -12.547 -1.753 1.00 0.00 N ATOM 409 CA LYS A 28 -5.581 -12.324 -0.961 1.00 0.00 C ATOM 410 C LYS A 28 -5.277 -11.449 0.247 1.00 0.00 C ATOM 411 O LYS A 28 -6.051 -10.554 0.589 1.00 0.00 O ATOM 412 CB LYS A 28 -6.176 -13.657 -0.505 1.00 0.00 C ATOM 413 CG LYS A 28 -6.635 -14.539 -1.654 1.00 0.00 C ATOM 414 CD LYS A 28 -7.667 -13.843 -2.535 1.00 0.00 C ATOM 415 CE LYS A 28 -9.007 -13.673 -1.830 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.948 -12.675 -0.726 1.00 0.00 N ATOM 0 H LYS A 28 -4.114 -13.528 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.309 -11.810 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.433 -14.196 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.022 -13.462 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.774 -14.822 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.061 -15.460 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.288 -12.865 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.810 -14.420 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.759 -13.363 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.328 -14.635 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.838 -12.137 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.810 -13.167 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.155 -12.023 -0.890 1.00 0.00 H new ATOM 430 N VAL A 29 -4.139 -11.703 0.882 1.00 0.00 N ATOM 431 CA VAL A 29 -3.727 -10.927 2.042 1.00 0.00 C ATOM 432 C VAL A 29 -3.717 -9.445 1.709 1.00 0.00 C ATOM 433 O VAL A 29 -4.149 -8.613 2.506 1.00 0.00 O ATOM 434 CB VAL A 29 -2.330 -11.353 2.537 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.837 -10.426 3.638 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.348 -12.799 3.015 1.00 0.00 C ATOM 0 H VAL A 29 -3.487 -12.440 0.613 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.447 -11.117 2.838 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.636 -11.278 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.850 -10.748 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.777 -9.407 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.531 -10.458 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.353 -13.081 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.059 -12.902 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.645 -13.450 2.193 1.00 0.00 H new ATOM 446 N VAL A 30 -3.238 -9.126 0.519 1.00 0.00 N ATOM 447 CA VAL A 30 -3.192 -7.748 0.074 1.00 0.00 C ATOM 448 C VAL A 30 -4.614 -7.208 -0.058 1.00 0.00 C ATOM 449 O VAL A 30 -4.920 -6.116 0.422 1.00 0.00 O ATOM 450 CB VAL A 30 -2.453 -7.618 -1.268 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.305 -6.158 -1.655 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.095 -8.301 -1.199 1.00 0.00 C ATOM 0 H VAL A 30 -2.877 -9.802 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.644 -7.165 0.815 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.044 -8.115 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.780 -6.085 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.292 -5.705 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.737 -5.634 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.587 -8.198 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.493 -7.836 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.231 -9.358 -0.972 1.00 0.00 H new ATOM 462 N LYS A 31 -5.493 -7.988 -0.697 1.00 0.00 N ATOM 463 CA LYS A 31 -6.888 -7.582 -0.861 1.00 0.00 C ATOM 464 C LYS A 31 -7.477 -7.133 0.470 1.00 0.00 C ATOM 465 O LYS A 31 -8.125 -6.092 0.552 1.00 0.00 O ATOM 466 CB LYS A 31 -7.733 -8.719 -1.447 1.00 0.00 C ATOM 467 CG LYS A 31 -7.605 -8.866 -2.956 1.00 0.00 C ATOM 468 CD LYS A 31 -6.193 -9.225 -3.372 1.00 0.00 C ATOM 469 CE LYS A 31 -6.050 -9.245 -4.887 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.917 -10.283 -5.513 1.00 0.00 N ATOM 0 H LYS A 31 -5.264 -8.895 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.907 -6.745 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.441 -9.657 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.780 -8.548 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.293 -9.636 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.899 -7.933 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.493 -8.505 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.930 -10.202 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.308 -8.265 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.009 -9.434 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.681 -10.370 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.761 -11.196 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.915 -10.008 -5.413 1.00 0.00 H new ATOM 484 N GLN A 32 -7.226 -7.915 1.515 1.00 0.00 N ATOM 485 CA GLN A 32 -7.718 -7.574 2.843 1.00 0.00 C ATOM 486 C GLN A 32 -6.976 -6.347 3.354 1.00 0.00 C ATOM 487 O GLN A 32 -7.556 -5.467 3.990 1.00 0.00 O ATOM 488 CB GLN A 32 -7.524 -8.749 3.806 1.00 0.00 C ATOM 489 CG GLN A 32 -8.087 -8.495 5.198 1.00 0.00 C ATOM 490 CD GLN A 32 -9.602 -8.324 5.228 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.275 -8.585 4.108 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.168 -7.975 6.264 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.690 -8.781 1.468 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.784 -7.355 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.001 -9.635 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.460 -8.969 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.812 -9.325 5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.622 -7.600 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.622 -7.783 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.183 -7.878 6.283 1.00 0.00 H new ATOM 501 N PHE A 33 -5.684 -6.306 3.055 1.00 0.00 N ATOM 502 CA PHE A 33 -4.818 -5.205 3.455 1.00 0.00 C ATOM 503 C PHE A 33 -5.394 -3.864 2.986 1.00 0.00 C ATOM 504 O PHE A 33 -5.619 -2.959 3.782 1.00 0.00 O ATOM 505 CB PHE A 33 -3.420 -5.435 2.861 1.00 0.00 C ATOM 506 CG PHE A 33 -2.365 -4.486 3.350 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.739 -4.709 4.563 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.988 -3.379 2.596 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.760 -3.851 5.020 1.00 0.00 C ATOM 510 CE2 PHE A 33 -1.008 -2.518 3.052 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.396 -2.755 4.268 1.00 0.00 C ATOM 0 H PHE A 33 -5.206 -7.037 2.527 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.750 -5.170 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.107 -6.454 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.484 -5.357 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.020 -5.565 5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.466 -3.191 1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.278 -4.039 5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.721 -1.662 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.367 -2.082 4.629 1.00 0.00 H new ATOM 521 N PHE A 34 -5.636 -3.763 1.682 1.00 0.00 N ATOM 522 CA PHE A 34 -6.189 -2.543 1.093 1.00 0.00 C ATOM 523 C PHE A 34 -7.678 -2.408 1.379 1.00 0.00 C ATOM 524 O PHE A 34 -8.164 -1.315 1.672 1.00 0.00 O ATOM 525 CB PHE A 34 -5.890 -2.500 -0.402 1.00 0.00 C ATOM 526 CG PHE A 34 -4.415 -2.436 -0.657 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.622 -1.559 0.066 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.816 -3.264 -1.587 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.260 -1.511 -0.130 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.451 -3.216 -1.794 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.674 -2.338 -1.062 1.00 0.00 C ATOM 0 H PHE A 34 -5.458 -4.511 1.011 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.705 -1.685 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.307 -3.384 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.377 -1.633 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.079 -0.904 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.420 -3.955 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.653 -0.827 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.992 -3.863 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.606 -2.301 -1.221 1.00 0.00 H new ATOM 541 N ASN A 35 -8.396 -3.520 1.330 1.00 0.00 N ATOM 542 CA ASN A 35 -9.824 -3.515 1.621 1.00 0.00 C ATOM 543 C ASN A 35 -10.084 -2.809 2.952 1.00 0.00 C ATOM 544 O ASN A 35 -11.067 -2.084 3.111 1.00 0.00 O ATOM 545 CB ASN A 35 -10.339 -4.956 1.705 1.00 0.00 C ATOM 546 CG ASN A 35 -11.799 -5.040 2.107 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.226 -4.425 3.084 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.567 -5.829 1.370 1.00 0.00 N ATOM 0 H ASN A 35 -8.015 -4.436 1.092 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.345 -2.985 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.205 -5.441 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.737 -5.510 2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.553 -5.945 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.172 -6.321 0.568 1.00 0.00 H new ATOM 555 N ASP A 36 -9.190 -3.056 3.905 1.00 0.00 N ATOM 556 CA ASP A 36 -9.298 -2.479 5.244 1.00 0.00 C ATOM 557 C ASP A 36 -8.496 -1.184 5.415 1.00 0.00 C ATOM 558 O ASP A 36 -8.855 -0.345 6.242 1.00 0.00 O ATOM 559 CB ASP A 36 -8.867 -3.504 6.292 1.00 0.00 C ATOM 560 CG ASP A 36 -9.745 -4.742 6.289 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.685 -4.803 5.469 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.492 -5.650 7.110 1.00 0.00 O ATOM 0 H ASP A 36 -8.376 -3.657 3.774 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.346 -2.216 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.833 -3.795 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.897 -3.044 7.280 1.00 0.00 H new ATOM 567 N ASN A 37 -7.428 -1.000 4.640 1.00 0.00 N ATOM 568 CA ASN A 37 -6.634 0.225 4.750 1.00 0.00 C ATOM 569 C ASN A 37 -7.369 1.380 4.085 1.00 0.00 C ATOM 570 O ASN A 37 -7.384 2.501 4.594 1.00 0.00 O ATOM 571 CB ASN A 37 -5.248 0.065 4.113 1.00 0.00 C ATOM 572 CG ASN A 37 -4.351 -0.892 4.874 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.353 -0.917 6.104 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.550 -1.659 4.141 1.00 0.00 N ATOM 0 H ASN A 37 -7.097 -1.667 3.943 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.495 0.433 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.364 -0.291 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.765 1.041 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.902 -2.302 4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.583 -1.604 3.123 1.00 0.00 H new ATOM 581 N GLY A 38 -7.975 1.063 2.941 1.00 0.00 N ATOM 582 CA GLY A 38 -8.738 2.015 2.148 1.00 0.00 C ATOM 583 C GLY A 38 -8.913 3.398 2.757 1.00 0.00 C ATOM 584 O GLY A 38 -7.947 4.135 2.944 1.00 0.00 O ATOM 0 H GLY A 38 -7.947 0.126 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.250 2.125 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.726 1.594 1.962 1.00 0.00 H new ATOM 588 N VAL A 39 -10.172 3.775 2.972 1.00 0.00 N ATOM 589 CA VAL A 39 -10.506 5.110 3.462 1.00 0.00 C ATOM 590 C VAL A 39 -10.452 5.294 4.980 1.00 0.00 C ATOM 591 O VAL A 39 -9.789 6.213 5.460 1.00 0.00 O ATOM 592 CB VAL A 39 -11.902 5.526 2.959 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.297 6.897 3.498 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.941 5.520 1.441 1.00 0.00 C ATOM 0 H VAL A 39 -10.980 3.172 2.814 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.721 5.750 3.058 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.624 4.799 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.286 7.163 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.315 6.868 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.573 7.641 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.934 5.816 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.201 6.222 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.716 4.518 1.075 1.00 0.00 H new ATOM 604 N ASP A 40 -11.177 4.481 5.734 1.00 0.00 N ATOM 605 CA ASP A 40 -11.223 4.648 7.192 1.00 0.00 C ATOM 606 C ASP A 40 -10.144 3.858 7.930 1.00 0.00 C ATOM 607 O ASP A 40 -10.332 3.494 9.092 1.00 0.00 O ATOM 608 CB ASP A 40 -12.599 4.241 7.717 1.00 0.00 C ATOM 609 CG ASP A 40 -13.713 5.091 7.135 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.689 6.321 7.341 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.608 4.524 6.475 1.00 0.00 O ATOM 0 H ASP A 40 -11.736 3.708 5.374 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.032 5.703 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.781 3.193 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.610 4.326 8.804 1.00 0.00 H new ATOM 616 N GLY A 41 -9.018 3.602 7.279 1.00 0.00 N ATOM 617 CA GLY A 41 -7.953 2.868 7.936 1.00 0.00 C ATOM 618 C GLY A 41 -7.350 3.644 9.096 1.00 0.00 C ATOM 619 O GLY A 41 -7.258 4.870 9.046 1.00 0.00 O ATOM 0 H GLY A 41 -8.823 3.885 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.341 1.917 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.172 2.637 7.211 1.00 0.00 H new ATOM 623 N GLU A 42 -6.926 2.929 10.138 1.00 0.00 N ATOM 624 CA GLU A 42 -6.316 3.563 11.306 1.00 0.00 C ATOM 625 C GLU A 42 -4.900 4.025 10.976 1.00 0.00 C ATOM 626 O GLU A 42 -3.948 3.252 11.072 1.00 0.00 O ATOM 627 CB GLU A 42 -6.282 2.590 12.487 1.00 0.00 C ATOM 628 CG GLU A 42 -7.655 2.106 12.926 1.00 0.00 C ATOM 629 CD GLU A 42 -8.555 3.235 13.391 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.854 4.132 12.574 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.960 3.224 14.573 1.00 0.00 O ATOM 0 H GLU A 42 -6.994 1.913 10.197 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.918 4.429 11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.673 1.727 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.792 3.075 13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.133 1.584 12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.539 1.383 13.734 1.00 0.00 H new ATOM 638 N TRP A 43 -4.769 5.284 10.559 1.00 0.00 N ATOM 639 CA TRP A 43 -3.468 5.825 10.183 1.00 0.00 C ATOM 640 C TRP A 43 -2.905 6.781 11.232 1.00 0.00 C ATOM 641 O TRP A 43 -3.567 7.739 11.632 1.00 0.00 O ATOM 642 CB TRP A 43 -3.561 6.591 8.864 1.00 0.00 C ATOM 643 CG TRP A 43 -4.150 5.828 7.717 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.822 4.638 7.750 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.119 6.230 6.350 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.217 4.285 6.480 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.794 5.247 5.602 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.582 7.333 5.688 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.946 5.340 4.225 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.731 7.424 4.322 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.411 6.432 3.600 1.00 0.00 C ATOM 0 H TRP A 43 -5.543 5.943 10.474 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.804 4.966 10.090 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.158 7.488 9.026 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.561 6.920 8.584 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.015 4.060 8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.739 3.444 6.233 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.059 8.102 6.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.468 4.577 3.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.318 8.273 3.798 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.514 6.533 2.530 1.00 0.00 H new ATOM 662 N THR A 44 -1.662 6.543 11.636 1.00 0.00 N ATOM 663 CA THR A 44 -0.983 7.406 12.591 1.00 0.00 C ATOM 664 C THR A 44 0.130 8.160 11.865 1.00 0.00 C ATOM 665 O THR A 44 0.800 7.595 11.002 1.00 0.00 O ATOM 666 CB THR A 44 -0.412 6.594 13.755 1.00 0.00 C ATOM 667 OG1 THR A 44 0.493 5.613 13.289 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.476 5.888 14.568 1.00 0.00 C ATOM 0 H THR A 44 -1.102 5.754 11.313 1.00 0.00 H new ATOM 0 HA THR A 44 -1.698 8.115 13.008 1.00 0.00 H new ATOM 0 HB THR A 44 0.091 7.320 14.393 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.070 6.002 12.599 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.005 5.330 15.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.163 6.624 14.986 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.028 5.201 13.927 1.00 0.00 H new ATOM 676 N TYR A 45 0.311 9.436 12.188 1.00 0.00 N ATOM 677 CA TYR A 45 1.333 10.242 11.521 1.00 0.00 C ATOM 678 C TYR A 45 2.491 10.574 12.456 1.00 0.00 C ATOM 679 O TYR A 45 2.291 10.839 13.642 1.00 0.00 O ATOM 680 CB TYR A 45 0.708 11.529 10.980 1.00 0.00 C ATOM 681 CG TYR A 45 1.629 12.336 10.087 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.564 11.710 9.270 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.557 13.722 10.058 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.401 12.445 8.453 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.390 14.464 9.243 1.00 0.00 C ATOM 686 CZ TYR A 45 3.310 13.820 8.442 1.00 0.00 C ATOM 687 OH TYR A 45 4.143 14.554 7.630 1.00 0.00 O ATOM 0 H TYR A 45 -0.228 9.932 12.898 1.00 0.00 H new ATOM 0 HA TYR A 45 1.735 9.655 10.695 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.193 11.276 10.421 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.397 12.150 11.820 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.637 10.632 9.274 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.837 14.229 10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.124 11.944 7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.321 15.542 9.233 1.00 0.00 H new ATOM 0 HH TYR A 45 3.949 15.508 7.740 1.00 0.00 H new ATOM 697 N ASP A 46 3.704 10.564 11.906 1.00 0.00 N ATOM 698 CA ASP A 46 4.904 10.872 12.679 1.00 0.00 C ATOM 699 C ASP A 46 5.675 12.027 12.040 1.00 0.00 C ATOM 700 O ASP A 46 6.637 11.810 11.304 1.00 0.00 O ATOM 701 CB ASP A 46 5.802 9.635 12.779 1.00 0.00 C ATOM 702 CG ASP A 46 7.053 9.892 13.597 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.920 10.233 14.792 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.165 9.748 13.046 1.00 0.00 O ATOM 0 H ASP A 46 3.881 10.345 10.926 1.00 0.00 H new ATOM 0 HA ASP A 46 4.598 11.171 13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.239 8.817 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.086 9.314 11.777 1.00 0.00 H new ATOM 709 N ASP A 47 5.242 13.254 12.322 1.00 0.00 N ATOM 710 CA ASP A 47 5.886 14.447 11.770 1.00 0.00 C ATOM 711 C ASP A 47 7.407 14.374 11.898 1.00 0.00 C ATOM 712 O ASP A 47 8.136 14.861 11.036 1.00 0.00 O ATOM 713 CB ASP A 47 5.373 15.702 12.481 1.00 0.00 C ATOM 714 CG ASP A 47 3.866 15.848 12.395 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.217 14.958 11.806 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.335 16.849 12.919 1.00 0.00 O ATOM 0 H ASP A 47 4.447 13.450 12.930 1.00 0.00 H new ATOM 0 HA ASP A 47 5.634 14.496 10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.672 15.669 13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.845 16.581 12.043 1.00 0.00 H new ATOM 721 N ALA A 48 7.873 13.777 12.990 1.00 0.00 N ATOM 722 CA ALA A 48 9.306 13.656 13.250 1.00 0.00 C ATOM 723 C ALA A 48 10.063 13.094 12.049 1.00 0.00 C ATOM 724 O ALA A 48 11.230 13.422 11.838 1.00 0.00 O ATOM 725 CB ALA A 48 9.540 12.786 14.478 1.00 0.00 C ATOM 0 H ALA A 48 7.279 13.368 13.711 1.00 0.00 H new ATOM 0 HA ALA A 48 9.693 14.658 13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.610 12.701 14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.056 13.239 15.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.122 11.794 14.306 1.00 0.00 H new ATOM 731 N THR A 49 9.407 12.242 11.268 1.00 0.00 N ATOM 732 CA THR A 49 10.047 11.641 10.100 1.00 0.00 C ATOM 733 C THR A 49 9.207 11.821 8.836 1.00 0.00 C ATOM 734 O THR A 49 9.441 11.149 7.830 1.00 0.00 O ATOM 735 CB THR A 49 10.300 10.152 10.346 1.00 0.00 C ATOM 736 OG1 THR A 49 9.083 9.470 10.593 1.00 0.00 O ATOM 737 CG2 THR A 49 11.219 9.885 11.518 1.00 0.00 C ATOM 0 H THR A 49 8.441 11.953 11.419 1.00 0.00 H new ATOM 0 HA THR A 49 10.997 12.154 9.946 1.00 0.00 H new ATOM 0 HB THR A 49 10.781 9.789 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.791 9.645 11.512 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.355 8.810 11.636 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.185 10.356 11.337 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.779 10.297 12.426 1.00 0.00 H new ATOM 745 N LYS A 50 8.227 12.722 8.887 1.00 0.00 N ATOM 746 CA LYS A 50 7.363 12.971 7.733 1.00 0.00 C ATOM 747 C LYS A 50 6.863 11.656 7.141 1.00 0.00 C ATOM 748 O LYS A 50 6.784 11.496 5.919 1.00 0.00 O ATOM 749 CB LYS A 50 8.113 13.773 6.674 1.00 0.00 C ATOM 750 CG LYS A 50 8.587 15.123 7.182 1.00 0.00 C ATOM 751 CD LYS A 50 8.316 16.224 6.172 1.00 0.00 C ATOM 752 CE LYS A 50 9.188 16.090 4.932 1.00 0.00 C ATOM 753 NZ LYS A 50 8.882 14.859 4.152 1.00 0.00 N ATOM 0 H LYS A 50 8.012 13.288 9.708 1.00 0.00 H new ATOM 0 HA LYS A 50 6.501 13.549 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.973 13.197 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.464 13.922 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.084 15.357 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.655 15.078 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.266 16.198 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.494 17.194 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.047 16.964 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.237 16.077 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.376 14.896 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.200 14.023 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.857 14.797 3.990 1.00 0.00 H new ATOM 767 N THR A 51 6.545 10.706 8.018 1.00 0.00 N ATOM 768 CA THR A 51 6.075 9.398 7.586 1.00 0.00 C ATOM 769 C THR A 51 4.736 9.043 8.223 1.00 0.00 C ATOM 770 O THR A 51 4.471 9.374 9.378 1.00 0.00 O ATOM 771 CB THR A 51 7.113 8.331 7.936 1.00 0.00 C ATOM 772 OG1 THR A 51 8.354 8.615 7.315 1.00 0.00 O ATOM 773 CG2 THR A 51 6.704 6.938 7.519 1.00 0.00 C ATOM 0 H THR A 51 6.605 10.820 9.030 1.00 0.00 H new ATOM 0 HA THR A 51 5.934 9.435 6.506 1.00 0.00 H new ATOM 0 HB THR A 51 7.198 8.359 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.673 9.494 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.485 6.231 7.797 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.774 6.667 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.557 6.910 6.439 1.00 0.00 H new ATOM 781 N PHE A 52 3.898 8.353 7.455 1.00 0.00 N ATOM 782 CA PHE A 52 2.584 7.929 7.925 1.00 0.00 C ATOM 783 C PHE A 52 2.532 6.406 8.031 1.00 0.00 C ATOM 784 O PHE A 52 3.133 5.707 7.227 1.00 0.00 O ATOM 785 CB PHE A 52 1.489 8.400 6.957 1.00 0.00 C ATOM 786 CG PHE A 52 1.572 9.854 6.572 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.657 10.337 5.854 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.554 10.735 6.907 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.727 11.668 5.486 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.619 12.067 6.538 1.00 0.00 C ATOM 791 CZ PHE A 52 1.707 12.533 5.828 1.00 0.00 C ATOM 0 H PHE A 52 4.109 8.074 6.497 1.00 0.00 H new ATOM 0 HA PHE A 52 2.413 8.373 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.539 7.795 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.516 8.214 7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.457 9.665 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.300 10.377 7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.580 12.031 4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.181 12.741 6.805 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.760 13.573 5.540 1.00 0.00 H new ATOM 801 N THR A 53 1.799 5.893 9.011 1.00 0.00 N ATOM 802 CA THR A 53 1.666 4.450 9.184 1.00 0.00 C ATOM 803 C THR A 53 0.205 4.023 9.111 1.00 0.00 C ATOM 804 O THR A 53 -0.648 4.560 9.818 1.00 0.00 O ATOM 805 CB THR A 53 2.285 3.982 10.502 1.00 0.00 C ATOM 806 OG1 THR A 53 2.014 4.899 11.544 1.00 0.00 O ATOM 807 CG2 THR A 53 3.781 3.777 10.421 1.00 0.00 C ATOM 0 H THR A 53 1.289 6.451 9.696 1.00 0.00 H new ATOM 0 HA THR A 53 2.210 3.977 8.367 1.00 0.00 H new ATOM 0 HB THR A 53 1.822 3.018 10.712 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.370 4.504 12.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.156 3.445 11.389 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.004 3.022 9.667 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.263 4.716 10.148 1.00 0.00 H new ATOM 815 N VAL A 54 -0.070 3.051 8.251 1.00 0.00 N ATOM 816 CA VAL A 54 -1.422 2.538 8.075 1.00 0.00 C ATOM 817 C VAL A 54 -1.548 1.147 8.686 1.00 0.00 C ATOM 818 O VAL A 54 -0.930 0.194 8.213 1.00 0.00 O ATOM 819 CB VAL A 54 -1.804 2.473 6.584 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.247 2.022 6.415 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.577 3.821 5.918 1.00 0.00 C ATOM 0 H VAL A 54 0.630 2.600 7.662 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.101 3.223 8.582 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.163 1.738 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.494 1.984 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.372 1.032 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.910 2.727 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.852 3.758 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.190 4.577 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.526 4.096 6.003 1.00 0.00 H new ATOM 831 N THR A 55 -2.342 1.035 9.746 1.00 0.00 N ATOM 832 CA THR A 55 -2.527 -0.244 10.415 1.00 0.00 C ATOM 833 C THR A 55 -3.846 -0.895 10.016 1.00 0.00 C ATOM 834 O THR A 55 -4.920 -0.430 10.397 1.00 0.00 O ATOM 835 CB THR A 55 -2.463 -0.075 11.932 1.00 0.00 C ATOM 836 OG1 THR A 55 -1.302 0.648 12.307 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.433 -1.396 12.669 1.00 0.00 C ATOM 0 H THR A 55 -2.864 1.810 10.157 1.00 0.00 H new ATOM 0 HA THR A 55 -1.715 -0.899 10.099 1.00 0.00 H new ATOM 0 HB THR A 55 -3.369 0.464 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.279 0.748 13.282 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.388 -1.213 13.743 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.334 -1.963 12.435 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.556 -1.965 12.361 1.00 0.00 H new ATOM 845 N GLU A 56 -3.753 -1.974 9.243 1.00 0.00 N ATOM 846 CA GLU A 56 -4.932 -2.697 8.782 1.00 0.00 C ATOM 847 C GLU A 56 -5.792 -3.129 9.966 1.00 0.00 C ATOM 848 O GLU A 56 -5.682 -4.302 10.381 1.00 0.00 O ATOM 849 CB GLU A 56 -4.502 -3.919 7.962 1.00 0.00 C ATOM 850 CG GLU A 56 -5.607 -4.536 7.112 1.00 0.00 C ATOM 851 CD GLU A 56 -6.756 -5.099 7.926 1.00 0.00 C ATOM 852 OE1 GLU A 56 -7.519 -4.305 8.512 1.00 0.00 O ATOM 853 OE2 GLU A 56 -6.895 -6.339 7.975 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.570 -2.290 10.468 1.00 0.00 O ATOM 0 H GLU A 56 -2.868 -2.367 8.922 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.527 -2.036 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.678 -3.630 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.118 -4.679 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.993 -3.780 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.182 -5.332 6.500 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 7.657 18.453 -2.332 1.00 0.00 N ATOM 863 CA MET B 1 7.669 17.787 -1.004 1.00 0.00 C ATOM 864 C MET B 1 7.281 16.317 -1.138 1.00 0.00 C ATOM 865 O MET B 1 6.145 15.993 -1.481 1.00 0.00 O ATOM 866 CB MET B 1 6.667 18.502 -0.092 1.00 0.00 C ATOM 867 CG MET B 1 6.894 18.330 1.414 1.00 0.00 C ATOM 868 SD MET B 1 7.561 16.727 1.913 1.00 0.00 S ATOM 869 CE MET B 1 9.319 16.911 1.628 1.00 0.00 C ATOM 0 H1 MET B 1 7.923 19.452 -2.222 1.00 0.00 H new ATOM 0 H2 MET B 1 8.336 17.981 -2.963 1.00 0.00 H new ATOM 0 H3 MET B 1 6.703 18.392 -2.742 1.00 0.00 H new ATOM 0 HA MET B 1 8.672 17.840 -0.581 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.689 19.567 -0.324 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.666 18.144 -0.333 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.575 19.111 1.754 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.946 18.487 1.928 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.728 15.971 1.256 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.488 17.697 0.892 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.813 17.177 2.562 1.00 0.00 H new ATOM 881 N GLN B 2 8.225 15.433 -0.848 1.00 0.00 N ATOM 882 CA GLN B 2 7.976 14.002 -0.916 1.00 0.00 C ATOM 883 C GLN B 2 7.696 13.453 0.476 1.00 0.00 C ATOM 884 O GLN B 2 8.352 13.833 1.447 1.00 0.00 O ATOM 885 CB GLN B 2 9.171 13.278 -1.535 1.00 0.00 C ATOM 886 CG GLN B 2 8.972 11.777 -1.665 1.00 0.00 C ATOM 887 CD GLN B 2 10.164 11.083 -2.289 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.546 11.377 -3.423 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.758 10.152 -1.552 1.00 0.00 N ATOM 0 H GLN B 2 9.172 15.683 -0.563 1.00 0.00 H new ATOM 0 HA GLN B 2 7.103 13.832 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.368 13.697 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN B 2 10.055 13.468 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.785 11.352 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.086 11.583 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.408 9.941 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.565 9.648 -1.920 1.00 0.00 H new ATOM 898 N TYR B 3 6.725 12.556 0.569 1.00 0.00 N ATOM 899 CA TYR B 3 6.364 11.955 1.846 1.00 0.00 C ATOM 900 C TYR B 3 6.501 10.440 1.784 1.00 0.00 C ATOM 901 O TYR B 3 6.181 9.821 0.770 1.00 0.00 O ATOM 902 CB TYR B 3 4.933 12.337 2.238 1.00 0.00 C ATOM 903 CG TYR B 3 4.756 13.805 2.553 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.636 14.749 1.540 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.711 14.246 3.869 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.475 16.090 1.832 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.550 15.584 4.169 1.00 0.00 C ATOM 908 CZ TYR B 3 4.433 16.503 3.149 1.00 0.00 C ATOM 909 OH TYR B 3 4.274 17.837 3.448 1.00 0.00 O ATOM 0 H TYR B 3 6.173 12.228 -0.224 1.00 0.00 H new ATOM 0 HA TYR B 3 7.048 12.337 2.604 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.259 12.066 1.425 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.636 11.750 3.107 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.669 14.430 0.509 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.804 13.530 4.672 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.382 16.812 1.034 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.516 15.909 5.198 1.00 0.00 H new ATOM 0 HH TYR B 3 4.265 17.955 4.421 1.00 0.00 H new ATOM 919 N LYS B 4 6.980 9.844 2.871 1.00 0.00 N ATOM 920 CA LYS B 4 7.155 8.399 2.924 1.00 0.00 C ATOM 921 C LYS B 4 6.067 7.756 3.776 1.00 0.00 C ATOM 922 O LYS B 4 6.070 7.882 4.999 1.00 0.00 O ATOM 923 CB LYS B 4 8.538 8.050 3.478 1.00 0.00 C ATOM 924 CG LYS B 4 8.791 6.554 3.588 1.00 0.00 C ATOM 925 CD LYS B 4 10.179 6.259 4.137 1.00 0.00 C ATOM 926 CE LYS B 4 10.432 4.764 4.235 1.00 0.00 C ATOM 927 NZ LYS B 4 9.451 4.091 5.132 1.00 0.00 N ATOM 0 H LYS B 4 7.252 10.337 3.722 1.00 0.00 H new ATOM 0 HA LYS B 4 7.075 8.007 1.910 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.300 8.492 2.836 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.650 8.502 4.463 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.039 6.104 4.237 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.682 6.093 2.606 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.931 6.715 3.493 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.286 6.713 5.122 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.378 4.321 3.241 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.442 4.591 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 9.903 3.273 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.130 4.761 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.635 3.768 4.574 1.00 0.00 H new ATOM 941 N VAL B 5 5.142 7.059 3.124 1.00 0.00 N ATOM 942 CA VAL B 5 4.061 6.398 3.834 1.00 0.00 C ATOM 943 C VAL B 5 4.413 4.939 4.109 1.00 0.00 C ATOM 944 O VAL B 5 4.946 4.241 3.251 1.00 0.00 O ATOM 945 CB VAL B 5 2.729 6.476 3.056 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.607 5.800 3.835 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.373 7.923 2.750 1.00 0.00 C ATOM 0 H VAL B 5 5.122 6.940 2.111 1.00 0.00 H new ATOM 0 HA VAL B 5 3.930 6.923 4.780 1.00 0.00 H new ATOM 0 HB VAL B 5 2.854 5.946 2.112 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.679 5.867 3.268 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.858 4.752 3.998 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.481 6.297 4.797 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.432 7.958 2.202 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.270 8.478 3.683 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.162 8.372 2.146 1.00 0.00 H new ATOM 957 N ILE B 6 4.121 4.501 5.320 1.00 0.00 N ATOM 958 CA ILE B 6 4.403 3.141 5.748 1.00 0.00 C ATOM 959 C ILE B 6 3.102 2.362 5.934 1.00 0.00 C ATOM 960 O ILE B 6 2.182 2.826 6.601 1.00 0.00 O ATOM 961 CB ILE B 6 5.214 3.155 7.064 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.577 3.808 6.830 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.391 1.755 7.628 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.410 3.934 8.085 1.00 0.00 C ATOM 0 H ILE B 6 3.681 5.078 6.036 1.00 0.00 H new ATOM 0 HA ILE B 6 4.995 2.647 4.977 1.00 0.00 H new ATOM 0 HB ILE B 6 4.655 3.737 7.797 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.129 3.223 6.094 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.427 4.799 6.402 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.966 1.805 8.553 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.413 1.319 7.832 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.921 1.136 6.905 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.363 4.406 7.844 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.878 4.544 8.815 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.591 2.944 8.503 1.00 0.00 H new ATOM 976 N LEU B 7 3.021 1.191 5.311 1.00 0.00 N ATOM 977 CA LEU B 7 1.817 0.372 5.386 1.00 0.00 C ATOM 978 C LEU B 7 2.051 -0.868 6.257 1.00 0.00 C ATOM 979 O LEU B 7 2.656 -1.843 5.814 1.00 0.00 O ATOM 980 CB LEU B 7 1.401 -0.034 3.968 1.00 0.00 C ATOM 981 CG LEU B 7 1.563 1.062 2.917 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.107 0.566 1.554 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.797 2.309 3.333 1.00 0.00 C ATOM 0 H LEU B 7 3.772 0.789 4.750 1.00 0.00 H new ATOM 0 HA LEU B 7 1.017 0.951 5.848 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.991 -0.899 3.665 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.358 -0.350 3.986 1.00 0.00 H new ATOM 0 HG LEU B 7 2.619 1.322 2.841 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.230 1.361 0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.707 -0.296 1.261 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.057 0.277 1.604 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.921 3.082 2.575 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.261 2.069 3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.181 2.671 4.287 1.00 0.00 H new ATOM 995 N ASN B 8 1.572 -0.816 7.503 1.00 0.00 N ATOM 996 CA ASN B 8 1.735 -1.929 8.441 1.00 0.00 C ATOM 997 C ASN B 8 0.428 -2.682 8.660 1.00 0.00 C ATOM 998 O ASN B 8 -0.465 -2.197 9.348 1.00 0.00 O ATOM 999 CB ASN B 8 2.258 -1.426 9.790 1.00 0.00 C ATOM 1000 CG ASN B 8 3.660 -0.873 9.697 1.00 0.00 C ATOM 1001 OD1 ASN B 8 3.909 0.081 8.969 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.588 -1.474 10.434 1.00 0.00 N ATOM 0 H ASN B 8 1.069 -0.015 7.885 1.00 0.00 H new ATOM 0 HA ASN B 8 2.458 -2.614 7.998 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.590 -0.652 10.169 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.240 -2.244 10.511 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.553 -1.144 10.408 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.336 -2.265 11.026 1.00 0.00 H new ATOM 1009 N GLY B 9 0.319 -3.873 8.083 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.889 -4.664 8.245 1.00 0.00 C ATOM 1011 C GLY B 9 -0.663 -5.899 9.093 1.00 0.00 C ATOM 1012 O GLY B 9 0.371 -6.031 9.749 1.00 0.00 O ATOM 0 H GLY B 9 1.042 -4.305 7.508 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.664 -4.049 8.703 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.258 -4.963 7.264 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.635 -6.803 9.081 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.542 -8.034 9.856 1.00 0.00 C ATOM 1018 C LYS B 10 -0.511 -8.987 9.259 1.00 0.00 C ATOM 1019 O LYS B 10 0.403 -9.436 9.949 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.905 -8.725 9.928 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.878 -8.111 10.929 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.074 -6.616 10.716 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.055 -5.796 11.498 1.00 0.00 C ATOM 1024 NZ LYS B 10 -3.275 -4.332 11.334 1.00 0.00 N ATOM 0 H LYS B 10 -2.496 -6.707 8.543 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.221 -7.767 10.863 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -3.361 -8.703 8.938 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.753 -9.773 10.186 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -4.841 -8.615 10.849 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.510 -8.285 11.940 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.988 -6.386 9.654 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -5.081 -6.334 11.023 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -3.115 -6.056 12.555 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.050 -6.052 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.702 -3.815 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.996 -4.044 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -4.281 -4.113 11.482 1.00 0.00 H new ATOM 1038 N THR B 11 -0.673 -9.308 7.978 1.00 0.00 N ATOM 1039 CA THR B 11 0.226 -10.220 7.294 1.00 0.00 C ATOM 1040 C THR B 11 0.940 -9.530 6.139 1.00 0.00 C ATOM 1041 O THR B 11 1.489 -10.191 5.256 1.00 0.00 O ATOM 1042 CB THR B 11 -0.569 -11.408 6.767 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.799 -10.976 6.218 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.876 -12.444 7.820 1.00 0.00 C ATOM 0 H THR B 11 -1.426 -8.945 7.393 1.00 0.00 H new ATOM 0 HA THR B 11 0.980 -10.558 8.004 1.00 0.00 H new ATOM 0 HB THR B 11 0.067 -11.868 6.010 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.351 -11.755 5.999 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.444 -13.260 7.373 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.056 -12.833 8.231 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.462 -11.989 8.618 1.00 0.00 H new ATOM 1052 N LEU B 12 0.923 -8.205 6.141 1.00 0.00 N ATOM 1053 CA LEU B 12 1.563 -7.444 5.084 1.00 0.00 C ATOM 1054 C LEU B 12 2.245 -6.198 5.635 1.00 0.00 C ATOM 1055 O LEU B 12 1.707 -5.512 6.504 1.00 0.00 O ATOM 1056 CB LEU B 12 0.526 -7.068 4.022 1.00 0.00 C ATOM 1057 CG LEU B 12 1.050 -6.216 2.875 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.285 -6.857 2.278 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.025 -6.029 1.813 1.00 0.00 C ATOM 0 H LEU B 12 0.474 -7.639 6.861 1.00 0.00 H new ATOM 0 HA LEU B 12 2.335 -8.064 4.628 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.104 -7.984 3.609 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.290 -6.532 4.508 1.00 0.00 H new ATOM 0 HG LEU B 12 1.318 -5.233 3.261 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.654 -6.241 1.458 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.057 -6.943 3.043 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.035 -7.849 1.903 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.368 -5.417 1.001 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.324 -7.002 1.423 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.890 -5.534 2.254 1.00 0.00 H new ATOM 1071 N LYS B 13 3.430 -5.911 5.110 1.00 0.00 N ATOM 1072 CA LYS B 13 4.197 -4.744 5.532 1.00 0.00 C ATOM 1073 C LYS B 13 4.963 -4.160 4.352 1.00 0.00 C ATOM 1074 O LYS B 13 5.380 -4.893 3.458 1.00 0.00 O ATOM 1075 CB LYS B 13 5.161 -5.117 6.659 1.00 0.00 C ATOM 1076 CG LYS B 13 4.465 -5.642 7.905 1.00 0.00 C ATOM 1077 CD LYS B 13 5.462 -5.982 9.000 1.00 0.00 C ATOM 1078 CE LYS B 13 4.765 -6.495 10.251 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.734 -6.830 11.333 1.00 0.00 N ATOM 0 H LYS B 13 3.883 -6.472 4.389 1.00 0.00 H new ATOM 0 HA LYS B 13 3.504 -3.990 5.905 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.857 -5.873 6.296 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.753 -4.241 6.925 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.761 -4.895 8.272 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.885 -6.529 7.652 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.160 -6.736 8.636 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.049 -5.097 9.246 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.066 -5.741 10.611 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.179 -7.380 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.217 -7.176 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 6.386 -7.568 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.276 -5.980 11.589 1.00 0.00 H new ATOM 1093 N GLY B 14 5.151 -2.843 4.346 1.00 0.00 N ATOM 1094 CA GLY B 14 5.870 -2.220 3.250 1.00 0.00 C ATOM 1095 C GLY B 14 6.091 -0.734 3.437 1.00 0.00 C ATOM 1096 O GLY B 14 5.737 -0.164 4.471 1.00 0.00 O ATOM 0 H GLY B 14 4.823 -2.204 5.070 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.836 -2.711 3.135 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.317 -2.383 2.325 1.00 0.00 H new ATOM 1100 N GLU B 15 6.675 -0.105 2.420 1.00 0.00 N ATOM 1101 CA GLU B 15 6.946 1.328 2.444 1.00 0.00 C ATOM 1102 C GLU B 15 6.570 1.959 1.109 1.00 0.00 C ATOM 1103 O GLU B 15 6.883 1.423 0.045 1.00 0.00 O ATOM 1104 CB GLU B 15 8.422 1.601 2.751 1.00 0.00 C ATOM 1105 CG GLU B 15 8.877 1.103 4.114 1.00 0.00 C ATOM 1106 CD GLU B 15 8.921 -0.410 4.205 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.642 -1.033 3.396 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.240 -0.972 5.087 1.00 0.00 O ATOM 0 H GLU B 15 6.971 -0.571 1.563 1.00 0.00 H new ATOM 0 HA GLU B 15 6.341 1.773 3.234 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.035 1.131 1.982 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.602 2.674 2.690 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.867 1.504 4.330 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.204 1.489 4.879 1.00 0.00 H new ATOM 1115 N THR B 16 5.893 3.098 1.172 1.00 0.00 N ATOM 1116 CA THR B 16 5.465 3.807 -0.026 1.00 0.00 C ATOM 1117 C THR B 16 5.767 5.299 0.083 1.00 0.00 C ATOM 1118 O THR B 16 6.090 5.796 1.160 1.00 0.00 O ATOM 1119 CB THR B 16 3.973 3.564 -0.276 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.441 4.567 -1.106 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.142 3.519 0.987 1.00 0.00 C ATOM 0 H THR B 16 5.627 3.553 2.046 1.00 0.00 H new ATOM 0 HA THR B 16 6.026 3.420 -0.877 1.00 0.00 H new ATOM 0 HB THR B 16 3.919 2.584 -0.751 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.609 4.247 -1.514 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.098 3.344 0.729 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.498 2.713 1.628 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.231 4.468 1.515 1.00 0.00 H new ATOM 1129 N THR B 17 5.687 6.006 -1.044 1.00 0.00 N ATOM 1130 CA THR B 17 5.979 7.435 -1.062 1.00 0.00 C ATOM 1131 C THR B 17 5.076 8.216 -2.017 1.00 0.00 C ATOM 1132 O THR B 17 5.060 7.967 -3.223 1.00 0.00 O ATOM 1133 CB THR B 17 7.440 7.658 -1.451 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.729 7.033 -2.688 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.421 7.135 -0.427 1.00 0.00 C ATOM 0 H THR B 17 5.424 5.615 -1.949 1.00 0.00 H new ATOM 0 HA THR B 17 5.787 7.810 -0.056 1.00 0.00 H new ATOM 0 HB THR B 17 7.559 8.739 -1.519 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.923 7.022 -3.245 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.439 7.327 -0.767 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.256 7.639 0.525 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.277 6.062 -0.300 1.00 0.00 H new ATOM 1143 N THR B 18 4.352 9.185 -1.462 1.00 0.00 N ATOM 1144 CA THR B 18 3.466 10.045 -2.244 1.00 0.00 C ATOM 1145 C THR B 18 4.070 11.449 -2.332 1.00 0.00 C ATOM 1146 O THR B 18 4.656 11.939 -1.366 1.00 0.00 O ATOM 1147 CB THR B 18 2.080 10.112 -1.596 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.188 10.855 -2.405 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.086 10.742 -0.218 1.00 0.00 C ATOM 0 H THR B 18 4.362 9.396 -0.464 1.00 0.00 H new ATOM 0 HA THR B 18 3.359 9.631 -3.246 1.00 0.00 H new ATOM 0 HB THR B 18 1.758 9.075 -1.497 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.447 10.765 -3.346 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.071 10.756 0.180 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.728 10.161 0.445 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.463 11.762 -0.286 1.00 0.00 H new ATOM 1157 N GLU B 19 3.927 12.092 -3.483 1.00 0.00 N ATOM 1158 CA GLU B 19 4.463 13.439 -3.675 1.00 0.00 C ATOM 1159 C GLU B 19 3.321 14.446 -3.662 1.00 0.00 C ATOM 1160 O GLU B 19 2.504 14.477 -4.582 1.00 0.00 O ATOM 1161 CB GLU B 19 5.231 13.515 -5.000 1.00 0.00 C ATOM 1162 CG GLU B 19 6.141 14.731 -5.142 1.00 0.00 C ATOM 1163 CD GLU B 19 5.391 16.051 -5.188 1.00 0.00 C ATOM 1164 OE1 GLU B 19 4.879 16.485 -4.137 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.319 16.652 -6.281 1.00 0.00 O ATOM 0 H GLU B 19 3.447 11.707 -4.297 1.00 0.00 H new ATOM 0 HA GLU B 19 5.152 13.674 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.834 12.613 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.513 13.518 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.841 14.750 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.733 14.627 -6.052 1.00 0.00 H new ATOM 1172 N ALA B 20 3.252 15.265 -2.613 1.00 0.00 N ATOM 1173 CA ALA B 20 2.188 16.250 -2.499 1.00 0.00 C ATOM 1174 C ALA B 20 2.683 17.562 -1.890 1.00 0.00 C ATOM 1175 O ALA B 20 3.660 17.589 -1.143 1.00 0.00 O ATOM 1176 CB ALA B 20 1.044 15.679 -1.676 1.00 0.00 C ATOM 0 H ALA B 20 3.916 15.263 -1.839 1.00 0.00 H new ATOM 0 HA ALA B 20 1.834 16.477 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.250 16.421 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.656 14.785 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.405 15.422 -0.680 1.00 0.00 H new ATOM 1182 N VAL B 21 2.002 18.647 -2.243 1.00 0.00 N ATOM 1183 CA VAL B 21 2.357 19.986 -1.772 1.00 0.00 C ATOM 1184 C VAL B 21 2.518 20.033 -0.251 1.00 0.00 C ATOM 1185 O VAL B 21 3.398 20.719 0.266 1.00 0.00 O ATOM 1186 CB VAL B 21 1.292 21.018 -2.185 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.755 22.428 -1.857 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.959 20.881 -3.661 1.00 0.00 C ATOM 0 H VAL B 21 1.191 18.626 -2.861 1.00 0.00 H new ATOM 0 HA VAL B 21 3.312 20.232 -2.237 1.00 0.00 H new ATOM 0 HB VAL B 21 0.384 20.823 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.988 23.142 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.931 22.513 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.679 22.642 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.204 21.619 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.859 21.046 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.575 19.880 -3.856 1.00 0.00 H new ATOM 1198 N ASP B 22 1.674 19.292 0.458 1.00 0.00 N ATOM 1199 CA ASP B 22 1.747 19.252 1.917 1.00 0.00 C ATOM 1200 C ASP B 22 1.363 17.875 2.447 1.00 0.00 C ATOM 1201 O ASP B 22 0.846 17.037 1.708 1.00 0.00 O ATOM 1202 CB ASP B 22 0.862 20.334 2.542 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.608 20.143 2.235 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.950 19.143 1.580 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.418 20.995 2.658 1.00 0.00 O ATOM 0 H ASP B 22 0.937 18.715 0.053 1.00 0.00 H new ATOM 0 HA ASP B 22 2.780 19.451 2.202 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.005 20.334 3.623 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.180 21.311 2.178 1.00 0.00 H new ATOM 1210 N ALA B 23 1.630 17.642 3.728 1.00 0.00 N ATOM 1211 CA ALA B 23 1.324 16.361 4.354 1.00 0.00 C ATOM 1212 C ALA B 23 -0.130 15.965 4.137 1.00 0.00 C ATOM 1213 O ALA B 23 -0.431 14.800 3.882 1.00 0.00 O ATOM 1214 CB ALA B 23 1.645 16.410 5.841 1.00 0.00 C ATOM 0 H ALA B 23 2.058 18.325 4.353 1.00 0.00 H new ATOM 0 HA ALA B 23 1.947 15.602 3.881 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.412 15.447 6.296 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.704 16.629 5.978 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.049 17.189 6.316 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.028 16.935 4.233 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.445 16.668 4.035 1.00 0.00 C ATOM 1222 C ALA B 24 -2.694 16.185 2.615 1.00 0.00 C ATOM 1223 O ALA B 24 -3.245 15.105 2.410 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.272 17.910 4.335 1.00 0.00 C ATOM 0 H ALA B 24 -0.803 17.907 4.445 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.752 15.883 4.727 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.328 17.690 4.181 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.112 18.213 5.370 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.969 18.718 3.669 1.00 0.00 H new ATOM 1230 N THR B 25 -2.259 16.971 1.634 1.00 0.00 N ATOM 1231 CA THR B 25 -2.419 16.591 0.242 1.00 0.00 C ATOM 1232 C THR B 25 -1.843 15.200 0.036 1.00 0.00 C ATOM 1233 O THR B 25 -2.471 14.338 -0.579 1.00 0.00 O ATOM 1234 CB THR B 25 -1.729 17.603 -0.674 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.370 17.761 -0.324 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.378 18.971 -0.658 1.00 0.00 C ATOM 0 H THR B 25 -1.797 17.868 1.780 1.00 0.00 H new ATOM 0 HA THR B 25 -3.479 16.582 -0.011 1.00 0.00 H new ATOM 0 HB THR B 25 -1.826 17.189 -1.678 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.285 17.788 0.652 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.838 19.638 -1.330 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.414 18.886 -0.987 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.351 19.375 0.354 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.658 14.977 0.594 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.020 13.676 0.509 1.00 0.00 C ATOM 1246 C ALA B 26 -0.923 12.638 1.157 1.00 0.00 C ATOM 1247 O ALA B 26 -1.263 11.625 0.549 1.00 0.00 O ATOM 1248 CB ALA B 26 1.345 13.705 1.178 1.00 0.00 C ATOM 0 H ALA B 26 -0.125 15.679 1.107 1.00 0.00 H new ATOM 0 HA ALA B 26 0.133 13.412 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.807 12.721 1.104 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.978 14.441 0.682 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.230 13.974 2.228 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.320 12.910 2.400 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.200 12.019 3.142 1.00 0.00 C ATOM 1256 C GLU B 27 -3.441 11.674 2.325 1.00 0.00 C ATOM 1257 O GLU B 27 -3.793 10.505 2.179 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.611 12.679 4.459 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.444 11.785 5.361 1.00 0.00 C ATOM 1260 CD GLU B 27 -2.678 10.570 5.849 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.230 9.771 5.000 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -2.524 10.420 7.079 1.00 0.00 O ATOM 0 H GLU B 27 -1.042 13.746 2.913 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.660 11.095 3.350 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.713 12.986 4.996 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.176 13.585 4.239 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -3.788 12.362 6.220 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -4.332 11.457 4.821 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.094 12.703 1.783 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.293 12.508 0.973 1.00 0.00 C ATOM 1271 C LYS B 28 -4.994 11.627 -0.229 1.00 0.00 C ATOM 1272 O LYS B 28 -5.784 10.752 -0.582 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.851 13.856 0.512 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.304 14.749 1.655 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.364 14.077 2.520 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.697 13.941 1.796 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.648 12.942 0.694 1.00 0.00 N ATOM 0 H LYS B 28 -3.812 13.677 1.891 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.042 12.010 1.589 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.088 14.378 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.693 13.682 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.445 15.011 2.273 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.702 15.680 1.252 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.013 13.090 2.820 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.506 14.656 3.433 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.467 13.651 2.511 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.987 14.910 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.544 12.416 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.502 13.431 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.863 12.280 0.860 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.842 11.854 -0.847 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.432 11.067 -2.002 1.00 0.00 C ATOM 1293 C VAL B 29 -3.462 9.586 -1.669 1.00 0.00 C ATOM 1294 O VAL B 29 -3.903 8.764 -2.472 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.016 11.459 -2.476 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.533 10.521 -3.571 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -1.994 12.905 -2.953 1.00 0.00 C ATOM 0 H VAL B 29 -3.177 12.575 -0.568 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.136 11.274 -2.808 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.335 11.367 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.533 10.817 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.505 9.500 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.214 10.572 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -0.988 13.164 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.691 13.025 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.288 13.563 -2.135 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.007 9.255 -0.472 1.00 0.00 N ATOM 1308 CA VAL B 30 -3.002 7.876 -0.027 1.00 0.00 C ATOM 1309 C VAL B 30 -4.438 7.370 0.084 1.00 0.00 C ATOM 1310 O VAL B 30 -4.764 6.286 -0.400 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.285 7.729 1.324 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.178 6.265 1.714 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.911 8.377 1.275 1.00 0.00 C ATOM 0 H VAL B 30 -2.638 9.922 0.206 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.459 7.280 -0.760 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.874 8.242 2.084 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.667 6.180 2.673 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -3.177 5.836 1.795 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.613 5.726 0.953 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.420 8.262 2.241 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.310 7.897 0.503 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.017 9.437 1.046 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.307 8.171 0.711 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.713 7.802 0.855 1.00 0.00 C ATOM 1325 C LYS B 31 -7.294 7.366 -0.483 1.00 0.00 C ATOM 1326 O LYS B 31 -7.966 6.340 -0.575 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.539 8.958 1.430 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.430 9.101 2.941 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.016 9.425 3.377 1.00 0.00 C ATOM 1330 CE LYS B 31 -5.893 9.443 4.893 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.743 10.500 5.508 1.00 0.00 N ATOM 0 H LYS B 31 -5.061 9.071 1.123 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.762 6.967 1.553 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.218 9.889 0.963 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.586 8.812 1.163 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.104 9.887 3.281 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.754 8.176 3.418 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.328 8.688 2.963 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.723 10.395 2.975 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.179 8.470 5.292 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.852 9.608 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.518 10.581 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.560 11.410 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.746 10.248 5.396 1.00 0.00 H new ATOM 1345 N GLN B 32 -7.009 8.141 -1.525 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.490 7.813 -2.860 1.00 0.00 C ATOM 1347 C GLN B 32 -6.772 6.567 -3.361 1.00 0.00 C ATOM 1348 O GLN B 32 -7.365 5.701 -4.005 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.256 8.982 -3.821 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.804 8.741 -5.220 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.322 8.607 -5.272 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -10.005 8.886 -4.161 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.881 8.271 -6.316 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.452 8.994 -1.471 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.562 7.622 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.719 9.879 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.186 9.177 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.499 9.564 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.355 7.834 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.327 8.065 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.898 8.199 -6.350 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.485 6.496 -3.045 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.641 5.374 -3.432 1.00 0.00 C ATOM 1364 C PHE B 33 -5.256 4.047 -2.971 1.00 0.00 C ATOM 1365 O PHE B 33 -5.492 3.147 -3.772 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.246 5.569 -2.818 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.208 4.594 -3.292 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.558 4.802 -4.496 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.868 3.480 -2.533 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.595 3.920 -4.940 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.904 2.595 -2.976 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.267 2.816 -4.182 1.00 0.00 C ATOM 0 H PHE B 33 -4.997 7.216 -2.512 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.559 5.338 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.904 6.580 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.328 5.493 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.808 5.665 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.362 3.305 -1.589 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.097 4.094 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.649 1.731 -2.380 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.487 2.125 -4.530 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.520 3.951 -1.671 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.110 2.744 -1.091 1.00 0.00 C ATOM 1384 C PHE B 34 -7.598 2.646 -1.399 1.00 0.00 C ATOM 1385 O PHE B 34 -8.106 1.565 -1.699 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.833 2.695 0.408 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.365 2.596 0.685 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.582 1.699 -0.028 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.758 3.409 1.622 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.225 1.618 0.189 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.398 3.327 1.849 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.633 2.431 1.127 1.00 0.00 C ATOM 0 H PHE B 34 -5.335 4.694 -0.997 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.641 1.874 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.236 3.589 0.884 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.347 1.840 0.848 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.043 1.056 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.352 4.115 2.182 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.627 0.918 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.934 3.962 2.589 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.569 2.369 1.300 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.289 3.776 -1.358 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.713 3.806 -1.670 1.00 0.00 C ATOM 1404 C ASN B 35 -9.971 3.105 -3.004 1.00 0.00 C ATOM 1405 O ASN B 35 -10.968 2.405 -3.178 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.191 5.259 -1.761 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.643 5.379 -2.183 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -12.071 4.775 -3.167 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.401 6.184 -1.457 1.00 0.00 N ATOM 0 H ASN B 35 -7.890 4.682 -1.113 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.259 3.290 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -10.059 5.741 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.566 5.798 -2.473 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.381 6.323 -1.705 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.006 6.665 -0.649 1.00 0.00 H new ATOM 1416 N ASP B 36 -9.057 3.330 -3.945 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.160 2.757 -5.285 1.00 0.00 C ATOM 1418 C ASP B 36 -8.388 1.442 -5.445 1.00 0.00 C ATOM 1419 O ASP B 36 -8.754 0.612 -6.278 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.691 3.770 -6.327 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.538 5.029 -6.336 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.487 5.114 -5.528 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.252 5.932 -7.151 1.00 0.00 O ATOM 0 H ASP B 36 -8.230 3.910 -3.802 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.213 2.521 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.653 4.036 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.719 3.310 -7.315 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.337 1.234 -4.655 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.570 -0.012 -4.754 1.00 0.00 C ATOM 1430 C ASN B 37 -7.340 -1.147 -4.099 1.00 0.00 C ATOM 1431 O ASN B 37 -7.375 -2.269 -4.610 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.189 0.115 -4.098 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.259 1.049 -4.845 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.242 1.076 -6.075 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.450 1.797 -4.101 1.00 0.00 N ATOM 0 H ASN B 37 -7.000 1.893 -3.953 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.422 -0.224 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.311 0.474 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.730 -0.872 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.782 2.425 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.498 1.743 -3.084 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.956 -0.818 -2.964 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.753 -1.752 -2.183 1.00 0.00 C ATOM 1444 C GLY B 38 -8.954 -3.129 -2.794 1.00 0.00 C ATOM 1445 O GLY B 38 -8.002 -3.889 -2.967 1.00 0.00 O ATOM 0 H GLY B 38 -7.912 0.117 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.282 -1.874 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.733 -1.307 -2.010 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.217 -3.474 -3.028 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.576 -4.801 -3.522 1.00 0.00 C ATOM 1451 C VAL B 39 -10.504 -4.986 -5.039 1.00 0.00 C ATOM 1452 O VAL B 39 -9.858 -5.922 -5.510 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.990 -5.183 -3.039 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.409 -6.543 -3.585 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.050 -5.175 -1.522 1.00 0.00 C ATOM 0 H VAL B 39 -11.012 -2.851 -2.883 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.814 -5.460 -3.107 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.690 -4.440 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.410 -6.786 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.410 -6.513 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.707 -7.304 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.054 -5.447 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.333 -5.894 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.806 -4.179 -1.153 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.198 -4.157 -5.805 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.227 -4.322 -7.260 1.00 0.00 C ATOM 1467 C ASP B 40 -10.119 -3.560 -7.985 1.00 0.00 C ATOM 1468 O ASP B 40 -10.281 -3.190 -9.149 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.586 -3.883 -7.806 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.729 -4.704 -7.242 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.731 -5.935 -7.447 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.618 -4.114 -6.594 1.00 0.00 O ATOM 0 H ASP B 40 -11.744 -3.371 -5.454 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.057 -5.382 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.747 -2.831 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.583 -3.969 -8.893 1.00 0.00 H new ATOM 1477 N GLY B 41 -8.998 -3.330 -7.317 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.904 -2.621 -7.958 1.00 0.00 C ATOM 1479 C GLY B 41 -7.305 -3.412 -9.109 1.00 0.00 C ATOM 1480 O GLY B 41 -7.244 -4.641 -9.059 1.00 0.00 O ATOM 0 H GLY B 41 -8.825 -3.617 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.263 -1.660 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.129 -2.410 -7.222 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.849 -2.707 -10.145 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.238 -3.356 -11.307 1.00 0.00 C ATOM 1486 C GLU B 42 -4.840 -3.853 -10.955 1.00 0.00 C ATOM 1487 O GLU B 42 -3.867 -3.102 -11.036 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.164 -2.383 -12.486 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.519 -1.867 -12.943 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.440 -2.974 -13.423 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.771 -3.863 -12.611 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.827 -2.951 -14.610 1.00 0.00 O ATOM 0 H GLU B 42 -6.891 -1.690 -10.204 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.857 -4.206 -11.594 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.538 -1.535 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.673 -2.879 -13.324 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.996 -1.335 -12.120 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.375 -1.146 -13.748 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.746 -5.114 -10.536 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.462 -5.687 -10.143 1.00 0.00 C ATOM 1501 C TRP B 43 -2.910 -6.656 -11.184 1.00 0.00 C ATOM 1502 O TRP B 43 -3.589 -7.599 -11.593 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.595 -6.451 -8.825 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.181 -5.673 -7.686 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.822 -4.467 -7.729 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.178 -6.075 -6.319 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.227 -4.105 -6.465 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.839 -5.077 -5.582 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.678 -7.190 -5.650 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.014 -5.165 -4.205 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.849 -7.279 -4.286 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.513 -6.271 -3.574 1.00 0.00 C ATOM 0 H TRP B 43 -5.537 -5.753 -10.461 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.777 -4.846 -10.041 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.213 -7.332 -8.997 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.608 -6.807 -8.530 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.986 -3.884 -8.623 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.733 -3.253 -6.225 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.165 -7.971 -6.191 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.526 -4.390 -3.655 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.465 -8.139 -3.757 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.632 -6.369 -2.505 1.00 0.00 H new ATOM 1523 N THR B 44 -1.655 -6.449 -11.569 1.00 0.00 N ATOM 1524 CA THR B 44 -0.983 -7.329 -12.514 1.00 0.00 C ATOM 1525 C THR B 44 0.100 -8.109 -11.773 1.00 0.00 C ATOM 1526 O THR B 44 0.772 -7.562 -10.900 1.00 0.00 O ATOM 1527 CB THR B 44 -0.378 -6.530 -13.670 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.544 -5.571 -13.191 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.411 -5.798 -14.498 1.00 0.00 C ATOM 0 H THR B 44 -1.081 -5.674 -11.238 1.00 0.00 H new ATOM 0 HA THR B 44 -1.707 -8.023 -12.941 1.00 0.00 H new ATOM 0 HB THR B 44 0.114 -7.269 -14.302 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.103 -5.974 -12.494 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.914 -5.252 -15.300 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.109 -6.517 -14.927 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.955 -5.097 -13.865 1.00 0.00 H new ATOM 1537 N TYR B 45 0.256 -9.389 -12.095 1.00 0.00 N ATOM 1538 CA TYR B 45 1.246 -10.221 -11.415 1.00 0.00 C ATOM 1539 C TYR B 45 2.409 -10.581 -12.333 1.00 0.00 C ATOM 1540 O TYR B 45 2.220 -10.841 -13.521 1.00 0.00 O ATOM 1541 CB TYR B 45 0.583 -11.493 -10.882 1.00 0.00 C ATOM 1542 CG TYR B 45 1.471 -12.320 -9.977 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.409 -11.718 -9.148 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.365 -13.704 -9.949 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.217 -12.472 -8.318 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.170 -14.465 -9.123 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.093 -13.845 -8.309 1.00 0.00 C ATOM 1548 OH TYR B 45 3.896 -14.599 -7.485 1.00 0.00 O ATOM 0 H TYR B 45 -0.283 -9.870 -12.815 1.00 0.00 H new ATOM 0 HA TYR B 45 1.649 -9.645 -10.582 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.319 -11.218 -10.335 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.270 -12.108 -11.726 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.509 -10.643 -9.152 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.641 -14.194 -10.583 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.942 -11.988 -7.680 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.076 -15.541 -9.115 1.00 0.00 H new ATOM 0 HH TYR B 45 3.681 -15.548 -7.598 1.00 0.00 H new ATOM 1558 N ASP B 46 3.615 -10.599 -11.766 1.00 0.00 N ATOM 1559 CA ASP B 46 4.818 -10.937 -12.520 1.00 0.00 C ATOM 1560 C ASP B 46 5.552 -12.111 -11.871 1.00 0.00 C ATOM 1561 O ASP B 46 6.508 -11.917 -11.121 1.00 0.00 O ATOM 1562 CB ASP B 46 5.747 -9.723 -12.608 1.00 0.00 C ATOM 1563 CG ASP B 46 7.002 -10.010 -13.410 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.878 -10.348 -14.605 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.109 -9.896 -12.842 1.00 0.00 O ATOM 0 H ASP B 46 3.783 -10.382 -10.784 1.00 0.00 H new ATOM 0 HA ASP B 46 4.519 -11.229 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.210 -8.891 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.026 -9.409 -11.602 1.00 0.00 H new ATOM 1570 N ASP B 47 5.092 -13.327 -12.159 1.00 0.00 N ATOM 1571 CA ASP B 47 5.699 -14.535 -11.599 1.00 0.00 C ATOM 1572 C ASP B 47 7.223 -14.498 -11.706 1.00 0.00 C ATOM 1573 O ASP B 47 7.929 -15.004 -10.833 1.00 0.00 O ATOM 1574 CB ASP B 47 5.166 -15.778 -12.318 1.00 0.00 C ATOM 1575 CG ASP B 47 3.656 -15.885 -12.255 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.020 -14.982 -11.675 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.108 -16.874 -12.787 1.00 0.00 O ATOM 0 H ASP B 47 4.300 -13.503 -12.777 1.00 0.00 H new ATOM 0 HA ASP B 47 5.431 -14.579 -10.543 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.482 -15.753 -13.361 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.609 -16.669 -11.872 1.00 0.00 H new ATOM 1582 N ALA B 48 7.720 -13.915 -12.792 1.00 0.00 N ATOM 1583 CA ALA B 48 9.158 -13.829 -13.029 1.00 0.00 C ATOM 1584 C ALA B 48 9.913 -13.285 -11.818 1.00 0.00 C ATOM 1585 O ALA B 48 11.067 -13.645 -11.588 1.00 0.00 O ATOM 1586 CB ALA B 48 9.432 -12.964 -14.253 1.00 0.00 C ATOM 0 H ALA B 48 7.147 -13.494 -13.524 1.00 0.00 H new ATOM 0 HA ALA B 48 9.522 -14.841 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.507 -12.905 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.950 -13.405 -15.126 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.035 -11.962 -14.087 1.00 0.00 H new ATOM 1592 N THR B 49 9.266 -12.415 -11.049 1.00 0.00 N ATOM 1593 CA THR B 49 9.904 -11.830 -9.871 1.00 0.00 C ATOM 1594 C THR B 49 9.039 -11.988 -8.621 1.00 0.00 C ATOM 1595 O THR B 49 9.276 -11.324 -7.610 1.00 0.00 O ATOM 1596 CB THR B 49 10.197 -10.347 -10.113 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.001 -9.636 -10.377 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.140 -10.102 -11.272 1.00 0.00 C ATOM 0 H THR B 49 8.310 -12.101 -11.216 1.00 0.00 H new ATOM 0 HA THR B 49 10.838 -12.366 -9.703 1.00 0.00 H new ATOM 0 HB THR B 49 10.673 -9.996 -9.198 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.734 -9.780 -11.309 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.304 -9.031 -11.387 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.092 -10.596 -11.077 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.704 -10.503 -12.187 1.00 0.00 H new ATOM 1606 N LYS B 50 8.039 -12.866 -8.685 1.00 0.00 N ATOM 1607 CA LYS B 50 7.151 -13.093 -7.546 1.00 0.00 C ATOM 1608 C LYS B 50 6.677 -11.766 -6.958 1.00 0.00 C ATOM 1609 O LYS B 50 6.588 -11.606 -5.735 1.00 0.00 O ATOM 1610 CB LYS B 50 7.864 -13.915 -6.476 1.00 0.00 C ATOM 1611 CG LYS B 50 8.311 -15.277 -6.973 1.00 0.00 C ATOM 1612 CD LYS B 50 8.004 -16.369 -5.966 1.00 0.00 C ATOM 1613 CE LYS B 50 8.865 -16.249 -4.715 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.575 -15.009 -3.942 1.00 0.00 N ATOM 0 H LYS B 50 7.824 -13.429 -9.508 1.00 0.00 H new ATOM 0 HA LYS B 50 6.280 -13.647 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.733 -13.362 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.198 -14.046 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.814 -15.502 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.382 -15.258 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.951 -16.320 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS B 50 8.167 -17.343 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS B 50 8.699 -17.118 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS B 50 9.917 -16.259 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.881 -15.135 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.088 -14.209 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 7.553 -14.816 -3.965 1.00 0.00 H new ATOM 1628 N THR B 51 6.393 -10.810 -7.838 1.00 0.00 N ATOM 1629 CA THR B 51 5.951 -9.490 -7.414 1.00 0.00 C ATOM 1630 C THR B 51 4.628 -9.102 -8.068 1.00 0.00 C ATOM 1631 O THR B 51 4.372 -9.428 -9.227 1.00 0.00 O ATOM 1632 CB THR B 51 7.018 -8.449 -7.748 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.243 -8.765 -7.111 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.637 -7.045 -7.336 1.00 0.00 C ATOM 0 H THR B 51 6.462 -10.927 -8.849 1.00 0.00 H new ATOM 0 HA THR B 51 5.796 -9.523 -6.336 1.00 0.00 H new ATOM 0 HB THR B 51 7.117 -8.477 -8.833 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.559 -9.638 -7.425 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.439 -6.357 -7.603 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.721 -6.751 -7.849 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.475 -7.013 -6.259 1.00 0.00 H new ATOM 1642 N PHE B 52 3.798 -8.391 -7.311 1.00 0.00 N ATOM 1643 CA PHE B 52 2.502 -7.937 -7.799 1.00 0.00 C ATOM 1644 C PHE B 52 2.488 -6.412 -7.908 1.00 0.00 C ATOM 1645 O PHE B 52 3.094 -5.728 -7.093 1.00 0.00 O ATOM 1646 CB PHE B 52 1.382 -8.381 -6.848 1.00 0.00 C ATOM 1647 CG PHE B 52 1.424 -9.837 -6.462 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.487 -10.346 -5.730 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.391 -10.692 -6.811 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.520 -11.678 -5.360 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.419 -12.026 -6.441 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.483 -12.519 -5.716 1.00 0.00 C ATOM 0 H PHE B 52 4.003 -8.116 -6.350 1.00 0.00 H new ATOM 0 HA PHE B 52 2.335 -8.378 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.433 -7.777 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.421 -8.171 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.299 -9.693 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.446 -10.313 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.356 -12.061 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.393 -12.681 -6.721 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.506 -13.559 -5.427 1.00 0.00 H new ATOM 1662 N THR B 53 1.782 -5.881 -8.897 1.00 0.00 N ATOM 1663 CA THR B 53 1.687 -4.435 -9.071 1.00 0.00 C ATOM 1664 C THR B 53 0.237 -3.974 -9.019 1.00 0.00 C ATOM 1665 O THR B 53 -0.618 -4.491 -9.738 1.00 0.00 O ATOM 1666 CB THR B 53 2.336 -3.984 -10.380 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.058 -4.895 -11.427 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.836 -3.817 -10.278 1.00 0.00 C ATOM 0 H THR B 53 1.268 -6.426 -9.589 1.00 0.00 H new ATOM 0 HA THR B 53 2.230 -3.974 -8.246 1.00 0.00 H new ATOM 0 HB THR B 53 1.899 -3.009 -10.596 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.431 -4.485 -12.059 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.233 -3.496 -11.241 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.068 -3.067 -9.522 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.290 -4.768 -9.998 1.00 0.00 H new ATOM 1676 N VAL B 54 -0.027 -2.996 -8.164 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.368 -2.450 -8.007 1.00 0.00 C ATOM 1678 C VAL B 54 -1.453 -1.057 -8.620 1.00 0.00 C ATOM 1679 O VAL B 54 -0.820 -0.119 -8.136 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.771 -2.375 -6.521 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.204 -1.889 -6.371 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.585 -3.728 -5.851 1.00 0.00 C ATOM 0 H VAL B 54 0.675 -2.562 -7.565 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.055 -3.119 -8.524 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.120 -1.654 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.464 -1.845 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.299 -0.896 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.877 -2.578 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.874 -3.658 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.208 -4.470 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.539 -4.027 -5.920 1.00 0.00 H new ATOM 1692 N THR B 55 -2.228 -0.926 -9.691 1.00 0.00 N ATOM 1693 CA THR B 55 -2.370 0.358 -10.362 1.00 0.00 C ATOM 1694 C THR B 55 -3.680 1.040 -9.979 1.00 0.00 C ATOM 1695 O THR B 55 -4.761 0.604 -10.377 1.00 0.00 O ATOM 1696 CB THR B 55 -2.290 0.187 -11.877 1.00 0.00 C ATOM 1697 OG1 THR B 55 -1.142 -0.563 -12.236 1.00 0.00 O ATOM 1698 CG2 THR B 55 -2.218 1.508 -12.611 1.00 0.00 C ATOM 0 H THR B 55 -2.763 -1.687 -10.109 1.00 0.00 H new ATOM 0 HA THR B 55 -1.547 0.994 -10.036 1.00 0.00 H new ATOM 0 HB THR B 55 -3.205 -0.331 -12.165 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.109 -0.664 -13.210 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.163 1.325 -13.684 1.00 0.00 H new ATOM 0 HG22 THR B 55 -3.108 2.097 -12.388 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.331 2.055 -12.290 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.571 2.115 -9.203 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.739 2.866 -8.758 1.00 0.00 C ATOM 1708 C GLU B 56 -5.574 3.318 -9.953 1.00 0.00 C ATOM 1709 O GLU B 56 -5.430 4.488 -10.366 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.292 4.080 -7.933 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.392 4.722 -7.099 1.00 0.00 C ATOM 1712 CD GLU B 56 -6.517 5.314 -7.929 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -7.291 4.540 -8.525 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.621 6.558 -7.979 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.361 2.497 -10.466 1.00 0.00 O ATOM 0 H GLU B 56 -2.682 2.486 -8.869 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.356 2.218 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.484 3.773 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.882 4.831 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.806 3.975 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.956 5.507 -6.480 1.00 0.00 H new TER 1722 GLU B 56