USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HD1:sc= 1.15 K(o=1.1,f=-4.5!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 MET CE :methyl 159:sc= 0 (180deg=-0.593) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 0.87 K(o=0.74,f=-0.11) USER MOD Set 3.2: A 69 GLN : amide:sc= -0.133 X(o=0.74,f=0.79) USER MOD Set 4.1: A 61 MET CE :methyl -173:sc= 0 (180deg=-0.067) USER MOD Set 4.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 59 TYR OH : rot -33:sc= 1.4 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 151:sc= 0.826 (180deg=0.0787) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.865 K(o=0.86,f=-3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0306) USER MOD Single : A 48 THR OG1 : rot -77:sc= 0.679 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -172:sc= -0.742 (180deg=-0.884) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0144 USER MOD Single : A 58 GLN : amide:sc= 1.1 K(o=1.1,f=-0.51) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 71 GLN : amide:sc= 1.34 K(o=1.3,f=-0.027) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.267 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -173:sc= -0.0938 (180deg=-0.111) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.186 K(o=-0.19,f=-3!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 7.485 15.372 13.352 1.00 0.00 N ATOM 2 CA GLN A 23 8.476 14.588 12.609 1.00 0.00 C ATOM 3 C GLN A 23 7.813 13.477 11.768 1.00 0.00 C ATOM 4 O GLN A 23 6.854 12.838 12.209 1.00 0.00 O ATOM 5 CB GLN A 23 9.513 13.997 13.584 1.00 0.00 C ATOM 6 CG GLN A 23 10.352 15.076 14.291 1.00 0.00 C ATOM 7 CD GLN A 23 11.319 14.468 15.306 1.00 0.00 C ATOM 8 OE1 GLN A 23 12.491 14.235 15.032 1.00 0.00 O ATOM 9 NE2 GLN A 23 10.874 14.175 16.512 1.00 0.00 N ATOM 0 HA GLN A 23 8.984 15.255 11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.998 13.395 14.333 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.177 13.327 13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.913 15.644 13.549 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.689 15.779 14.796 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.902 14.362 16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.502 13.761 17.201 1.00 0.00 H new ATOM 18 N ILE A 24 8.334 13.226 10.559 1.00 0.00 N ATOM 19 CA ILE A 24 7.699 12.345 9.559 1.00 0.00 C ATOM 20 C ILE A 24 7.883 10.842 9.828 1.00 0.00 C ATOM 21 O ILE A 24 6.952 10.067 9.605 1.00 0.00 O ATOM 22 CB ILE A 24 8.166 12.780 8.144 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.275 13.915 7.603 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.177 11.607 7.159 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.918 14.749 6.486 1.00 0.00 C ATOM 0 H ILE A 24 9.215 13.630 10.241 1.00 0.00 H new ATOM 0 HA ILE A 24 6.619 12.472 9.634 1.00 0.00 H new ATOM 0 HB ILE A 24 9.189 13.143 8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.346 13.484 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.010 14.577 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.510 11.956 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.857 10.835 7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.172 11.194 7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.223 15.524 6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.832 15.213 6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.157 14.103 5.641 1.00 0.00 H new ATOM 37 N ASN A 25 9.059 10.433 10.321 1.00 0.00 N ATOM 38 CA ASN A 25 9.429 9.026 10.582 1.00 0.00 C ATOM 39 C ASN A 25 9.471 8.150 9.298 1.00 0.00 C ATOM 40 O ASN A 25 8.832 7.100 9.189 1.00 0.00 O ATOM 41 CB ASN A 25 8.579 8.418 11.713 1.00 0.00 C ATOM 42 CG ASN A 25 8.992 8.870 13.102 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.213 10.153 13.257 1.00 0.00 O flip ATOM 44 ND2 ASN A 25 9.127 8.094 14.038 1.00 0.00 N flip ATOM 0 H ASN A 25 9.805 11.087 10.558 1.00 0.00 H new ATOM 0 HA ASN A 25 10.459 9.034 10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.534 8.682 11.551 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.645 7.331 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.952 7.098 13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.415 8.443 14.952 1.00 0.00 H new ATOM 51 N GLN A 26 10.211 8.628 8.299 1.00 0.00 N ATOM 52 CA GLN A 26 10.335 8.083 6.936 1.00 0.00 C ATOM 53 C GLN A 26 11.780 8.258 6.406 1.00 0.00 C ATOM 54 O GLN A 26 12.651 8.734 7.134 1.00 0.00 O ATOM 55 CB GLN A 26 9.238 8.666 6.044 1.00 0.00 C ATOM 56 CG GLN A 26 8.657 7.622 5.092 1.00 0.00 C ATOM 57 CD GLN A 26 7.887 6.511 5.821 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.806 6.710 6.358 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.408 5.300 5.866 1.00 0.00 N ATOM 0 H GLN A 26 10.782 9.464 8.423 1.00 0.00 H new ATOM 0 HA GLN A 26 10.171 7.005 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.441 9.071 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.644 9.497 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.991 8.114 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.465 7.177 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.308 5.115 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.910 4.548 6.343 1.00 0.00 H new ATOM 68 N VAL A 27 12.067 7.839 5.168 1.00 0.00 N ATOM 69 CA VAL A 27 13.444 7.702 4.639 1.00 0.00 C ATOM 70 C VAL A 27 13.892 8.808 3.677 1.00 0.00 C ATOM 71 O VAL A 27 13.096 9.425 2.971 1.00 0.00 O ATOM 72 CB VAL A 27 13.606 6.295 4.004 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.014 5.990 3.471 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.283 5.185 5.020 1.00 0.00 C ATOM 0 H VAL A 27 11.348 7.581 4.492 1.00 0.00 H new ATOM 0 HA VAL A 27 14.113 7.818 5.492 1.00 0.00 H new ATOM 0 HB VAL A 27 12.908 6.310 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.033 4.986 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.276 6.715 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.733 6.052 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.405 4.211 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.960 5.262 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.254 5.295 5.364 1.00 0.00 H new ATOM 84 N ARG A 28 15.207 9.067 3.685 1.00 0.00 N ATOM 85 CA ARG A 28 15.908 10.065 2.867 1.00 0.00 C ATOM 86 C ARG A 28 16.421 9.458 1.545 1.00 0.00 C ATOM 87 O ARG A 28 17.185 8.490 1.598 1.00 0.00 O ATOM 88 CB ARG A 28 17.034 10.666 3.734 1.00 0.00 C ATOM 89 CG ARG A 28 17.840 11.792 3.063 1.00 0.00 C ATOM 90 CD ARG A 28 18.653 12.548 4.124 1.00 0.00 C ATOM 91 NE ARG A 28 19.324 13.741 3.573 1.00 0.00 N ATOM 92 CZ ARG A 28 20.548 13.856 3.100 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.351 12.843 2.934 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.969 15.046 2.799 1.00 0.00 N ATOM 0 H ARG A 28 15.845 8.557 4.296 1.00 0.00 H new ATOM 0 HA ARG A 28 15.228 10.860 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.597 11.052 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.720 9.867 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.507 11.375 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.167 12.478 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.993 12.849 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.400 11.879 4.551 1.00 0.00 H new ATOM 0 HE ARG A 28 18.764 14.593 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.041 11.902 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.290 12.992 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.358 15.852 2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.911 15.176 2.430 1.00 0.00 H new ATOM 108 N PRO A 29 16.044 10.001 0.369 1.00 0.00 N ATOM 109 CA PRO A 29 16.640 9.626 -0.918 1.00 0.00 C ATOM 110 C PRO A 29 18.084 10.157 -1.033 1.00 0.00 C ATOM 111 O PRO A 29 18.507 11.011 -0.249 1.00 0.00 O ATOM 112 CB PRO A 29 15.697 10.225 -1.964 1.00 0.00 C ATOM 113 CG PRO A 29 15.170 11.491 -1.289 1.00 0.00 C ATOM 114 CD PRO A 29 15.087 11.085 0.181 1.00 0.00 C ATOM 0 HA PRO A 29 16.734 8.548 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.221 10.454 -2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.889 9.538 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.841 12.337 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.197 11.784 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.324 11.928 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.078 10.760 0.437 1.00 0.00 H new ATOM 122 N LYS A 30 18.853 9.669 -2.014 1.00 0.00 N ATOM 123 CA LYS A 30 20.265 10.059 -2.213 1.00 0.00 C ATOM 124 C LYS A 30 20.387 11.524 -2.657 1.00 0.00 C ATOM 125 O LYS A 30 19.446 12.089 -3.209 1.00 0.00 O ATOM 126 CB LYS A 30 20.919 9.087 -3.216 1.00 0.00 C ATOM 127 CG LYS A 30 22.421 8.870 -2.983 1.00 0.00 C ATOM 128 CD LYS A 30 23.047 8.057 -4.126 1.00 0.00 C ATOM 129 CE LYS A 30 24.536 7.809 -3.840 1.00 0.00 C ATOM 130 NZ LYS A 30 25.182 7.003 -4.913 1.00 0.00 N ATOM 0 H LYS A 30 18.518 8.990 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 30 20.797 9.988 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.410 8.125 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.769 9.468 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.922 9.834 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.574 8.350 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.526 7.106 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.933 8.592 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.051 8.765 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.641 7.293 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.186 6.858 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.707 6.081 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.105 7.507 -5.820 1.00 0.00 H new ATOM 144 N LEU A 31 21.570 12.118 -2.487 1.00 0.00 N ATOM 145 CA LEU A 31 21.870 13.536 -2.770 1.00 0.00 C ATOM 146 C LEU A 31 21.326 14.065 -4.119 1.00 0.00 C ATOM 147 O LEU A 31 20.634 15.082 -4.084 1.00 0.00 O ATOM 148 CB LEU A 31 23.394 13.784 -2.643 1.00 0.00 C ATOM 149 CG LEU A 31 23.982 13.967 -1.226 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.391 15.178 -0.502 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.813 12.743 -0.324 1.00 0.00 C ATOM 0 H LEU A 31 22.382 11.610 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 31 21.331 14.112 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.909 12.946 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.637 14.674 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 31 25.046 14.121 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.837 15.263 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.602 16.082 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.312 15.053 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.250 12.948 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.752 12.521 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.316 11.887 -0.774 1.00 0.00 H new ATOM 163 N PRO A 32 21.538 13.414 -5.287 1.00 0.00 N ATOM 164 CA PRO A 32 20.985 13.887 -6.568 1.00 0.00 C ATOM 165 C PRO A 32 19.472 13.923 -6.642 1.00 0.00 C ATOM 166 O PRO A 32 18.892 14.817 -7.252 1.00 0.00 O ATOM 167 CB PRO A 32 21.576 12.979 -7.652 1.00 0.00 C ATOM 168 CG PRO A 32 22.015 11.728 -6.894 1.00 0.00 C ATOM 169 CD PRO A 32 22.421 12.278 -5.530 1.00 0.00 C ATOM 0 HA PRO A 32 21.264 14.932 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.838 12.742 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.417 13.455 -8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.207 11.001 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.846 11.226 -7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.309 11.522 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.466 12.586 -5.527 1.00 0.00 H new ATOM 177 N LEU A 33 18.831 12.972 -5.983 1.00 0.00 N ATOM 178 CA LEU A 33 17.387 12.835 -5.986 1.00 0.00 C ATOM 179 C LEU A 33 16.757 13.832 -5.007 1.00 0.00 C ATOM 180 O LEU A 33 15.840 14.567 -5.368 1.00 0.00 O ATOM 181 CB LEU A 33 17.162 11.354 -5.672 1.00 0.00 C ATOM 182 CG LEU A 33 15.806 10.768 -6.021 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.625 11.521 -5.406 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.535 10.650 -7.519 1.00 0.00 C ATOM 0 H LEU A 33 19.307 12.264 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 33 16.899 13.083 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.924 10.778 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.329 11.206 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 33 15.876 9.771 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.693 11.040 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.711 11.507 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.629 12.553 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.545 10.222 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.580 11.639 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.286 10.005 -7.975 1.00 0.00 H new ATOM 196 N LEU A 34 17.340 13.961 -3.814 1.00 0.00 N ATOM 197 CA LEU A 34 17.007 15.006 -2.845 1.00 0.00 C ATOM 198 C LEU A 34 17.161 16.405 -3.473 1.00 0.00 C ATOM 199 O LEU A 34 16.302 17.255 -3.256 1.00 0.00 O ATOM 200 CB LEU A 34 17.898 14.767 -1.604 1.00 0.00 C ATOM 201 CG LEU A 34 17.616 15.578 -0.323 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.171 16.999 -0.375 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.127 15.621 0.027 1.00 0.00 C ATOM 0 H LEU A 34 18.071 13.329 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 34 15.963 14.961 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.831 13.710 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.930 14.959 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 34 18.145 15.041 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.938 17.515 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.252 16.963 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.720 17.536 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.984 16.204 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.574 16.083 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.761 14.607 0.185 1.00 0.00 H new ATOM 215 N LYS A 35 18.162 16.624 -4.343 1.00 0.00 N ATOM 216 CA LYS A 35 18.339 17.865 -5.110 1.00 0.00 C ATOM 217 C LYS A 35 17.119 18.253 -5.942 1.00 0.00 C ATOM 218 O LYS A 35 16.720 19.408 -5.883 1.00 0.00 O ATOM 219 CB LYS A 35 19.589 17.759 -6.011 1.00 0.00 C ATOM 220 CG LYS A 35 20.374 19.075 -6.036 1.00 0.00 C ATOM 221 CD LYS A 35 21.143 19.320 -4.725 1.00 0.00 C ATOM 222 CE LYS A 35 22.397 18.438 -4.611 1.00 0.00 C ATOM 223 NZ LYS A 35 23.260 18.863 -3.473 1.00 0.00 N ATOM 0 H LYS A 35 18.883 15.929 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 35 18.472 18.661 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.232 16.957 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.287 17.494 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.076 19.061 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.687 19.903 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.433 20.369 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.485 19.124 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.101 17.398 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.965 18.490 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.097 18.248 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.562 19.848 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.724 18.790 -2.585 1.00 0.00 H new ATOM 237 N ILE A 36 16.488 17.313 -6.651 1.00 0.00 N ATOM 238 CA ILE A 36 15.262 17.562 -7.441 1.00 0.00 C ATOM 239 C ILE A 36 14.134 18.053 -6.511 1.00 0.00 C ATOM 240 O ILE A 36 13.496 19.070 -6.761 1.00 0.00 O ATOM 241 CB ILE A 36 14.791 16.284 -8.154 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.900 15.655 -9.002 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.553 16.584 -9.008 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.634 16.597 -9.951 1.00 0.00 C ATOM 0 H ILE A 36 16.810 16.346 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 36 15.495 18.319 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 36 14.527 15.555 -7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.632 15.205 -8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.466 14.846 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.227 15.673 -9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.751 16.954 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.800 17.340 -9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.396 16.041 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.924 17.029 -10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.108 17.394 -9.378 1.00 0.00 H new ATOM 256 N LEU A 37 13.913 17.334 -5.404 1.00 0.00 N ATOM 257 CA LEU A 37 12.856 17.568 -4.416 1.00 0.00 C ATOM 258 C LEU A 37 13.047 18.913 -3.702 1.00 0.00 C ATOM 259 O LEU A 37 12.098 19.665 -3.506 1.00 0.00 O ATOM 260 CB LEU A 37 12.896 16.387 -3.421 1.00 0.00 C ATOM 261 CG LEU A 37 12.298 15.048 -3.891 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.355 14.698 -5.378 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.935 13.904 -3.105 1.00 0.00 C ATOM 0 H LEU A 37 14.497 16.533 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 37 11.882 17.621 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.936 16.214 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.372 16.691 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 37 11.234 15.185 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.892 13.725 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.819 15.455 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.394 14.665 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.513 12.955 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.012 13.901 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.736 14.038 -2.042 1.00 0.00 H new ATOM 275 N HIS A 38 14.284 19.269 -3.364 1.00 0.00 N ATOM 276 CA HIS A 38 14.624 20.566 -2.770 1.00 0.00 C ATOM 277 C HIS A 38 14.533 21.703 -3.784 1.00 0.00 C ATOM 278 O HIS A 38 13.926 22.728 -3.478 1.00 0.00 O ATOM 279 CB HIS A 38 16.008 20.459 -2.118 1.00 0.00 C ATOM 280 CG HIS A 38 15.930 19.964 -0.691 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.790 20.326 0.351 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.933 19.181 -0.186 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.293 19.741 1.456 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.177 19.050 1.161 1.00 0.00 N ATOM 0 H HIS A 38 15.091 18.659 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 38 13.894 20.816 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.632 19.782 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.493 21.435 -2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.111 18.748 -0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.729 19.816 2.441 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.610 18.520 1.823 1.00 0.00 H new ATOM 292 N ALA A 39 14.986 21.481 -5.020 1.00 0.00 N ATOM 293 CA ALA A 39 14.787 22.388 -6.148 1.00 0.00 C ATOM 294 C ALA A 39 13.288 22.612 -6.443 1.00 0.00 C ATOM 295 O ALA A 39 12.913 23.662 -6.970 1.00 0.00 O ATOM 296 CB ALA A 39 15.553 21.814 -7.349 1.00 0.00 C ATOM 0 H ALA A 39 15.514 20.644 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 39 15.178 23.378 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.424 22.470 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.613 21.741 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.167 20.823 -7.587 1.00 0.00 H new ATOM 302 N ALA A 40 12.426 21.667 -6.040 1.00 0.00 N ATOM 303 CA ALA A 40 10.978 21.826 -6.050 1.00 0.00 C ATOM 304 C ALA A 40 10.416 22.550 -4.807 1.00 0.00 C ATOM 305 O ALA A 40 9.345 23.147 -4.907 1.00 0.00 O ATOM 306 CB ALA A 40 10.332 20.441 -6.175 1.00 0.00 C ATOM 0 H ALA A 40 12.729 20.757 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 40 10.734 22.460 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.247 20.545 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.659 19.969 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.630 19.823 -5.328 1.00 0.00 H new ATOM 312 N GLY A 41 11.099 22.504 -3.653 1.00 0.00 N ATOM 313 CA GLY A 41 10.619 23.039 -2.372 1.00 0.00 C ATOM 314 C GLY A 41 9.950 21.993 -1.464 1.00 0.00 C ATOM 315 O GLY A 41 8.838 22.222 -0.981 1.00 0.00 O ATOM 0 H GLY A 41 12.025 22.082 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.459 23.483 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.908 23.841 -2.569 1.00 0.00 H new ATOM 319 N ALA A 42 10.597 20.840 -1.247 1.00 0.00 N ATOM 320 CA ALA A 42 10.111 19.782 -0.349 1.00 0.00 C ATOM 321 C ALA A 42 10.009 20.207 1.132 1.00 0.00 C ATOM 322 O ALA A 42 10.690 21.131 1.586 1.00 0.00 O ATOM 323 CB ALA A 42 10.981 18.533 -0.510 1.00 0.00 C ATOM 0 H ALA A 42 11.484 20.612 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 42 9.086 19.562 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.620 17.750 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.930 18.184 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.014 18.774 -0.260 1.00 0.00 H new ATOM 329 N GLN A 43 9.179 19.489 1.900 1.00 0.00 N ATOM 330 CA GLN A 43 8.822 19.810 3.294 1.00 0.00 C ATOM 331 C GLN A 43 9.713 19.090 4.336 1.00 0.00 C ATOM 332 O GLN A 43 9.282 18.783 5.450 1.00 0.00 O ATOM 333 CB GLN A 43 7.306 19.577 3.476 1.00 0.00 C ATOM 334 CG GLN A 43 6.688 20.427 4.604 1.00 0.00 C ATOM 335 CD GLN A 43 5.179 20.226 4.774 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.517 19.457 4.085 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.563 20.918 5.712 1.00 0.00 N ATOM 0 H GLN A 43 8.722 18.642 1.561 1.00 0.00 H new ATOM 0 HA GLN A 43 9.029 20.862 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.796 19.803 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.131 18.522 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.185 20.184 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.884 21.480 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.091 21.564 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.559 20.807 5.851 1.00 0.00 H new ATOM 346 N GLY A 44 10.960 18.786 3.963 1.00 0.00 N ATOM 347 CA GLY A 44 11.929 18.051 4.786 1.00 0.00 C ATOM 348 C GLY A 44 12.996 17.332 3.960 1.00 0.00 C ATOM 349 O GLY A 44 13.272 17.701 2.819 1.00 0.00 O ATOM 0 H GLY A 44 11.336 19.052 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.415 18.746 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.398 17.321 5.397 1.00 0.00 H new ATOM 353 N GLU A 45 13.583 16.285 4.540 1.00 0.00 N ATOM 354 CA GLU A 45 14.539 15.368 3.888 1.00 0.00 C ATOM 355 C GLU A 45 14.167 13.879 4.061 1.00 0.00 C ATOM 356 O GLU A 45 14.939 13.003 3.694 1.00 0.00 O ATOM 357 CB GLU A 45 15.968 15.638 4.398 1.00 0.00 C ATOM 358 CG GLU A 45 16.482 17.041 4.052 1.00 0.00 C ATOM 359 CD GLU A 45 17.979 17.172 4.384 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.811 16.546 3.681 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.335 17.893 5.349 1.00 0.00 O ATOM 0 H GLU A 45 13.404 16.037 5.513 1.00 0.00 H new ATOM 0 HA GLU A 45 14.492 15.571 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.991 15.507 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.644 14.896 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.321 17.241 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.915 17.788 4.607 1.00 0.00 H new ATOM 368 N MET A 46 12.999 13.576 4.630 1.00 0.00 N ATOM 369 CA MET A 46 12.517 12.229 4.983 1.00 0.00 C ATOM 370 C MET A 46 11.071 12.093 4.493 1.00 0.00 C ATOM 371 O MET A 46 10.213 12.838 4.956 1.00 0.00 O ATOM 372 CB MET A 46 12.567 12.080 6.513 1.00 0.00 C ATOM 373 CG MET A 46 13.998 11.872 7.020 1.00 0.00 C ATOM 374 SD MET A 46 14.157 11.732 8.825 1.00 0.00 S ATOM 375 CE MET A 46 13.861 13.453 9.323 1.00 0.00 C ATOM 0 H MET A 46 12.323 14.300 4.872 1.00 0.00 H new ATOM 0 HA MET A 46 13.135 11.458 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.143 12.970 6.979 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.948 11.235 6.816 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.402 10.969 6.563 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.613 12.705 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.012 13.552 10.398 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.555 14.108 8.797 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.838 13.733 9.073 1.00 0.00 H new ATOM 385 N PHE A 47 10.795 11.182 3.555 1.00 0.00 N ATOM 386 CA PHE A 47 9.456 10.990 2.958 1.00 0.00 C ATOM 387 C PHE A 47 9.275 9.575 2.360 1.00 0.00 C ATOM 388 O PHE A 47 10.237 8.836 2.156 1.00 0.00 O ATOM 389 CB PHE A 47 9.178 12.053 1.867 1.00 0.00 C ATOM 390 CG PHE A 47 10.244 13.109 1.637 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.509 12.725 1.158 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.989 14.460 1.934 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.506 13.688 0.962 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.974 15.432 1.689 1.00 0.00 C ATOM 395 CZ PHE A 47 12.230 15.048 1.189 1.00 0.00 C ATOM 0 H PHE A 47 11.499 10.546 3.180 1.00 0.00 H new ATOM 0 HA PHE A 47 8.737 11.106 3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.009 11.533 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.248 12.562 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.712 11.687 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.036 14.750 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.490 13.385 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.766 16.473 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.981 15.795 0.980 1.00 0.00 H new ATOM 405 N THR A 48 8.033 9.193 2.055 1.00 0.00 N ATOM 406 CA THR A 48 7.676 7.976 1.287 1.00 0.00 C ATOM 407 C THR A 48 7.787 8.190 -0.230 1.00 0.00 C ATOM 408 O THR A 48 7.860 9.322 -0.692 1.00 0.00 O ATOM 409 CB THR A 48 6.248 7.502 1.621 1.00 0.00 C ATOM 410 OG1 THR A 48 5.350 8.573 1.509 1.00 0.00 O ATOM 411 CG2 THR A 48 6.094 6.902 3.011 1.00 0.00 C ATOM 0 H THR A 48 7.215 9.732 2.340 1.00 0.00 H new ATOM 0 HA THR A 48 8.394 7.212 1.583 1.00 0.00 H new ATOM 0 HB THR A 48 6.032 6.712 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.432 9.152 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.059 6.595 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.747 6.035 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.365 7.646 3.760 1.00 0.00 H new ATOM 419 N VAL A 49 7.720 7.112 -1.026 1.00 0.00 N ATOM 420 CA VAL A 49 7.696 7.094 -2.508 1.00 0.00 C ATOM 421 C VAL A 49 6.596 8.017 -3.043 1.00 0.00 C ATOM 422 O VAL A 49 6.830 8.835 -3.934 1.00 0.00 O ATOM 423 CB VAL A 49 7.516 5.647 -3.024 1.00 0.00 C ATOM 424 CG1 VAL A 49 7.303 5.566 -4.540 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.763 4.811 -2.696 1.00 0.00 C ATOM 0 H VAL A 49 7.678 6.171 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 49 8.650 7.469 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 49 6.625 5.265 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.184 4.524 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.408 6.125 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.166 5.992 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.626 3.794 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.635 5.256 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.913 4.790 -1.617 1.00 0.00 H new ATOM 435 N LYS A 50 5.408 7.938 -2.433 1.00 0.00 N ATOM 436 CA LYS A 50 4.227 8.706 -2.810 1.00 0.00 C ATOM 437 C LYS A 50 4.355 10.204 -2.490 1.00 0.00 C ATOM 438 O LYS A 50 3.826 11.038 -3.222 1.00 0.00 O ATOM 439 CB LYS A 50 3.027 7.996 -2.168 1.00 0.00 C ATOM 440 CG LYS A 50 2.881 8.230 -0.660 1.00 0.00 C ATOM 441 CD LYS A 50 1.746 7.411 -0.038 1.00 0.00 C ATOM 442 CE LYS A 50 1.686 7.698 1.469 1.00 0.00 C ATOM 443 NZ LYS A 50 0.617 6.908 2.139 1.00 0.00 N ATOM 0 H LYS A 50 5.242 7.318 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 50 4.091 8.724 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.116 8.330 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.115 6.925 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.819 7.977 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.700 9.289 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.796 7.667 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.911 6.348 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.649 7.464 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.508 8.761 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.607 7.129 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.305 7.150 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.801 5.893 2.007 1.00 0.00 H new ATOM 457 N GLU A 51 5.111 10.551 -1.445 1.00 0.00 N ATOM 458 CA GLU A 51 5.491 11.933 -1.123 1.00 0.00 C ATOM 459 C GLU A 51 6.622 12.443 -2.030 1.00 0.00 C ATOM 460 O GLU A 51 6.484 13.514 -2.618 1.00 0.00 O ATOM 461 CB GLU A 51 5.902 12.032 0.352 1.00 0.00 C ATOM 462 CG GLU A 51 4.720 11.838 1.308 1.00 0.00 C ATOM 463 CD GLU A 51 5.209 11.717 2.764 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.859 10.693 3.091 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.936 12.632 3.579 1.00 0.00 O ATOM 0 H GLU A 51 5.484 9.868 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 51 4.623 12.567 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.663 11.281 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.356 13.006 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.033 12.679 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.165 10.942 1.030 1.00 0.00 H new ATOM 472 N VAL A 52 7.713 11.682 -2.215 1.00 0.00 N ATOM 473 CA VAL A 52 8.839 12.116 -3.057 1.00 0.00 C ATOM 474 C VAL A 52 8.423 12.398 -4.496 1.00 0.00 C ATOM 475 O VAL A 52 8.779 13.430 -5.064 1.00 0.00 O ATOM 476 CB VAL A 52 10.036 11.155 -3.063 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.787 11.177 -1.733 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.825 9.709 -3.451 1.00 0.00 C ATOM 0 H VAL A 52 7.839 10.762 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 52 9.164 13.043 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 52 10.608 11.577 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.627 10.484 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.158 12.184 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.113 10.879 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.775 9.176 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.114 9.248 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.434 9.658 -4.467 1.00 0.00 H new ATOM 488 N MET A 53 7.630 11.498 -5.073 1.00 0.00 N ATOM 489 CA MET A 53 7.131 11.648 -6.442 1.00 0.00 C ATOM 490 C MET A 53 6.152 12.829 -6.605 1.00 0.00 C ATOM 491 O MET A 53 6.095 13.416 -7.684 1.00 0.00 O ATOM 492 CB MET A 53 6.612 10.303 -6.983 1.00 0.00 C ATOM 493 CG MET A 53 5.200 9.904 -6.531 1.00 0.00 C ATOM 494 SD MET A 53 3.818 10.744 -7.361 1.00 0.00 S ATOM 495 CE MET A 53 4.006 10.139 -9.062 1.00 0.00 C ATOM 0 H MET A 53 7.315 10.646 -4.608 1.00 0.00 H new ATOM 0 HA MET A 53 7.971 11.928 -7.078 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.628 10.340 -8.072 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.306 9.519 -6.680 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.085 8.830 -6.678 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.119 10.090 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.319 10.675 -9.717 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.030 10.305 -9.396 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.781 9.073 -9.096 1.00 0.00 H new ATOM 505 N HIS A 54 5.466 13.276 -5.543 1.00 0.00 N ATOM 506 CA HIS A 54 4.605 14.470 -5.598 1.00 0.00 C ATOM 507 C HIS A 54 5.424 15.747 -5.831 1.00 0.00 C ATOM 508 O HIS A 54 5.023 16.616 -6.608 1.00 0.00 O ATOM 509 CB HIS A 54 3.775 14.583 -4.313 1.00 0.00 C ATOM 510 CG HIS A 54 2.811 15.745 -4.334 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.574 15.766 -4.987 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.021 16.959 -3.744 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.067 16.994 -4.774 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.914 17.729 -4.031 1.00 0.00 N ATOM 0 H HIS A 54 5.491 12.826 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 54 3.929 14.359 -6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.218 13.658 -4.165 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.447 14.691 -3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.884 17.257 -3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.115 17.341 -5.147 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.763 18.692 -3.731 1.00 0.00 H new ATOM 522 N TYR A 55 6.621 15.824 -5.237 1.00 0.00 N ATOM 523 CA TYR A 55 7.565 16.911 -5.508 1.00 0.00 C ATOM 524 C TYR A 55 8.060 16.917 -6.960 1.00 0.00 C ATOM 525 O TYR A 55 8.370 17.989 -7.464 1.00 0.00 O ATOM 526 CB TYR A 55 8.745 16.891 -4.526 1.00 0.00 C ATOM 527 CG TYR A 55 8.342 16.955 -3.064 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.576 18.033 -2.583 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.717 15.923 -2.189 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.143 18.053 -1.243 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.296 15.939 -0.847 1.00 0.00 C ATOM 532 CZ TYR A 55 7.506 17.007 -0.369 1.00 0.00 C ATOM 533 OH TYR A 55 7.124 17.063 0.937 1.00 0.00 O ATOM 0 H TYR A 55 6.959 15.140 -4.560 1.00 0.00 H new ATOM 0 HA TYR A 55 7.013 17.839 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.325 15.983 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.401 17.733 -4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.319 18.848 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.333 15.112 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.533 18.869 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.577 15.135 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 55 7.451 16.268 1.408 1.00 0.00 H new ATOM 543 N LEU A 56 8.088 15.780 -7.670 1.00 0.00 N ATOM 544 CA LEU A 56 8.391 15.771 -9.111 1.00 0.00 C ATOM 545 C LEU A 56 7.276 16.456 -9.909 1.00 0.00 C ATOM 546 O LEU A 56 7.561 17.273 -10.780 1.00 0.00 O ATOM 547 CB LEU A 56 8.596 14.343 -9.642 1.00 0.00 C ATOM 548 CG LEU A 56 9.619 13.490 -8.888 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.654 12.084 -9.476 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.023 14.082 -8.950 1.00 0.00 C ATOM 0 H LEU A 56 7.906 14.858 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 56 9.321 16.324 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.636 13.827 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.902 14.405 -10.686 1.00 0.00 H new ATOM 0 HG LEU A 56 9.306 13.464 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.384 11.482 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.668 11.627 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.935 12.136 -10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.713 13.441 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.343 14.152 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.019 15.077 -8.504 1.00 0.00 H new ATOM 562 N GLY A 57 6.012 16.187 -9.575 1.00 0.00 N ATOM 563 CA GLY A 57 4.869 16.836 -10.218 1.00 0.00 C ATOM 564 C GLY A 57 4.889 18.356 -10.046 1.00 0.00 C ATOM 565 O GLY A 57 4.838 19.094 -11.034 1.00 0.00 O ATOM 0 H GLY A 57 5.753 15.515 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.867 16.593 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.945 16.438 -9.799 1.00 0.00 H new ATOM 569 N GLN A 58 5.119 18.842 -8.816 1.00 0.00 N ATOM 570 CA GLN A 58 5.257 20.284 -8.576 1.00 0.00 C ATOM 571 C GLN A 58 6.524 20.851 -9.238 1.00 0.00 C ATOM 572 O GLN A 58 6.468 21.935 -9.812 1.00 0.00 O ATOM 573 CB GLN A 58 5.132 20.629 -7.077 1.00 0.00 C ATOM 574 CG GLN A 58 6.463 20.739 -6.309 1.00 0.00 C ATOM 575 CD GLN A 58 6.280 20.905 -4.795 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.344 20.408 -4.183 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.195 21.567 -4.120 1.00 0.00 N ATOM 0 H GLN A 58 5.212 18.263 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 58 4.421 20.786 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.599 21.575 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.517 19.868 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.059 19.847 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.028 21.588 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.984 21.989 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.116 21.658 -3.107 1.00 0.00 H new ATOM 586 N TYR A 59 7.645 20.115 -9.231 1.00 0.00 N ATOM 587 CA TYR A 59 8.882 20.525 -9.895 1.00 0.00 C ATOM 588 C TYR A 59 8.631 20.783 -11.379 1.00 0.00 C ATOM 589 O TYR A 59 8.915 21.869 -11.862 1.00 0.00 O ATOM 590 CB TYR A 59 9.950 19.434 -9.743 1.00 0.00 C ATOM 591 CG TYR A 59 11.284 19.735 -10.387 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.509 19.423 -11.742 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.319 20.276 -9.607 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.792 19.580 -12.300 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.593 20.448 -10.165 1.00 0.00 C ATOM 596 CZ TYR A 59 13.843 20.073 -11.495 1.00 0.00 C ATOM 597 OH TYR A 59 15.095 20.251 -11.976 1.00 0.00 O ATOM 0 H TYR A 59 7.715 19.213 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 59 9.233 21.445 -9.427 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.112 19.254 -8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.562 18.508 -10.168 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.696 19.063 -12.354 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.134 20.558 -8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.971 19.326 -13.334 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.387 20.872 -9.568 1.00 0.00 H new ATOM 0 HH TYR A 59 15.286 19.568 -12.652 1.00 0.00 H new ATOM 607 N ILE A 60 8.035 19.825 -12.096 1.00 0.00 N ATOM 608 CA ILE A 60 7.742 19.951 -13.532 1.00 0.00 C ATOM 609 C ILE A 60 6.752 21.091 -13.770 1.00 0.00 C ATOM 610 O ILE A 60 6.942 21.866 -14.700 1.00 0.00 O ATOM 611 CB ILE A 60 7.192 18.623 -14.087 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.204 17.468 -13.940 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.782 18.753 -15.567 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.467 16.138 -13.787 1.00 0.00 C ATOM 0 H ILE A 60 7.740 18.934 -11.696 1.00 0.00 H new ATOM 0 HA ILE A 60 8.667 20.183 -14.060 1.00 0.00 H new ATOM 0 HB ILE A 60 6.310 18.390 -13.491 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.856 17.433 -14.813 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.841 17.641 -13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.399 17.797 -15.924 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.007 19.513 -15.664 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.649 19.041 -16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.192 15.330 -13.684 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.834 16.173 -12.900 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.849 15.961 -14.667 1.00 0.00 H new ATOM 626 N MET A 61 5.731 21.243 -12.926 1.00 0.00 N ATOM 627 CA MET A 61 4.750 22.326 -13.052 1.00 0.00 C ATOM 628 C MET A 61 5.389 23.722 -12.907 1.00 0.00 C ATOM 629 O MET A 61 5.013 24.656 -13.615 1.00 0.00 O ATOM 630 CB MET A 61 3.646 22.075 -12.014 1.00 0.00 C ATOM 631 CG MET A 61 2.386 22.923 -12.218 1.00 0.00 C ATOM 632 SD MET A 61 1.460 22.566 -13.740 1.00 0.00 S ATOM 633 CE MET A 61 1.861 24.041 -14.716 1.00 0.00 C ATOM 0 H MET A 61 5.559 20.621 -12.136 1.00 0.00 H new ATOM 0 HA MET A 61 4.323 22.322 -14.055 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.369 21.021 -12.042 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.046 22.273 -11.020 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.724 22.775 -11.365 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.671 23.975 -12.222 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.272 24.042 -15.633 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.630 24.935 -14.136 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.922 24.035 -14.966 1.00 0.00 H new ATOM 643 N VAL A 62 6.403 23.861 -12.047 1.00 0.00 N ATOM 644 CA VAL A 62 7.174 25.107 -11.852 1.00 0.00 C ATOM 645 C VAL A 62 8.200 25.338 -12.949 1.00 0.00 C ATOM 646 O VAL A 62 8.299 26.433 -13.500 1.00 0.00 O ATOM 647 CB VAL A 62 7.842 25.118 -10.488 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.822 26.269 -10.227 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.784 25.135 -9.397 1.00 0.00 C ATOM 0 H VAL A 62 6.723 23.097 -11.451 1.00 0.00 H new ATOM 0 HA VAL A 62 6.460 25.929 -11.905 1.00 0.00 H new ATOM 0 HB VAL A 62 8.442 24.208 -10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.237 26.173 -9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.630 26.232 -10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.297 27.220 -10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.268 25.143 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.166 26.027 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.157 24.247 -9.484 1.00 0.00 H new ATOM 659 N LYS A 63 8.949 24.283 -13.269 1.00 0.00 N ATOM 660 CA LYS A 63 9.961 24.253 -14.341 1.00 0.00 C ATOM 661 C LYS A 63 9.362 24.205 -15.761 1.00 0.00 C ATOM 662 O LYS A 63 10.114 24.359 -16.721 1.00 0.00 O ATOM 663 CB LYS A 63 10.910 23.062 -14.118 1.00 0.00 C ATOM 664 CG LYS A 63 11.737 23.104 -12.826 1.00 0.00 C ATOM 665 CD LYS A 63 12.713 24.281 -12.730 1.00 0.00 C ATOM 666 CE LYS A 63 13.704 24.039 -11.580 1.00 0.00 C ATOM 667 NZ LYS A 63 14.899 23.259 -12.024 1.00 0.00 N ATOM 0 H LYS A 63 8.870 23.393 -12.777 1.00 0.00 H new ATOM 0 HA LYS A 63 10.510 25.193 -14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.320 22.145 -14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.594 23.003 -14.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.056 23.144 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.300 22.175 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.253 24.396 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.165 25.208 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.027 24.997 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.201 23.504 -10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.719 23.518 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.708 22.242 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.102 23.473 -13.021 1.00 0.00 H new ATOM 681 N GLN A 64 8.045 23.988 -15.890 1.00 0.00 N ATOM 682 CA GLN A 64 7.249 23.694 -17.094 1.00 0.00 C ATOM 683 C GLN A 64 7.997 22.813 -18.110 1.00 0.00 C ATOM 684 O GLN A 64 8.290 23.234 -19.231 1.00 0.00 O ATOM 685 CB GLN A 64 6.563 24.948 -17.665 1.00 0.00 C ATOM 686 CG GLN A 64 7.531 26.099 -17.947 1.00 0.00 C ATOM 687 CD GLN A 64 7.485 27.202 -16.891 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.460 27.823 -16.631 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.590 27.497 -16.241 1.00 0.00 N ATOM 0 H GLN A 64 7.446 24.017 -15.065 1.00 0.00 H new ATOM 0 HA GLN A 64 6.416 23.061 -16.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.048 24.682 -18.588 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.802 25.288 -16.962 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.545 25.705 -18.006 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.299 26.529 -18.921 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.452 26.991 -16.444 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.585 28.232 -15.534 1.00 0.00 H new ATOM 698 N LEU A 65 8.317 21.572 -17.702 1.00 0.00 N ATOM 699 CA LEU A 65 9.093 20.636 -18.526 1.00 0.00 C ATOM 700 C LEU A 65 8.212 19.802 -19.470 1.00 0.00 C ATOM 701 O LEU A 65 8.713 18.901 -20.128 1.00 0.00 O ATOM 702 CB LEU A 65 10.077 19.769 -17.697 1.00 0.00 C ATOM 703 CG LEU A 65 11.101 20.522 -16.828 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.028 19.533 -16.126 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.972 21.481 -17.641 1.00 0.00 C ATOM 0 H LEU A 65 8.045 21.193 -16.795 1.00 0.00 H new ATOM 0 HA LEU A 65 9.717 21.256 -19.169 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.492 19.119 -17.047 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.624 19.124 -18.385 1.00 0.00 H new ATOM 0 HG LEU A 65 10.522 21.099 -16.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.747 20.079 -15.515 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.440 18.871 -15.490 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.560 18.941 -16.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.675 21.985 -16.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.523 20.921 -18.396 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.339 22.222 -18.129 1.00 0.00 H new ATOM 717 N TYR A 66 6.904 20.053 -19.538 1.00 0.00 N ATOM 718 CA TYR A 66 5.975 19.296 -20.383 1.00 0.00 C ATOM 719 C TYR A 66 5.864 19.834 -21.824 1.00 0.00 C ATOM 720 O TYR A 66 6.325 20.937 -22.132 1.00 0.00 O ATOM 721 CB TYR A 66 4.608 19.200 -19.700 1.00 0.00 C ATOM 722 CG TYR A 66 4.093 20.536 -19.214 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.579 21.473 -20.125 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.231 20.869 -17.858 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.197 22.754 -19.686 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.854 22.149 -17.407 1.00 0.00 C ATOM 727 CZ TYR A 66 3.336 23.096 -18.321 1.00 0.00 C ATOM 728 OH TYR A 66 2.993 24.339 -17.883 1.00 0.00 O ATOM 0 H TYR A 66 6.453 20.795 -19.003 1.00 0.00 H new ATOM 0 HA TYR A 66 6.389 18.294 -20.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.889 18.772 -20.398 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.678 18.515 -18.855 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.476 21.209 -21.167 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.626 20.145 -17.161 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.800 23.472 -20.388 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.960 22.407 -16.364 1.00 0.00 H new ATOM 0 HH TYR A 66 2.271 24.695 -18.442 1.00 0.00 H new ATOM 738 N ASP A 67 5.223 19.069 -22.715 1.00 0.00 N ATOM 739 CA ASP A 67 4.919 19.510 -24.083 1.00 0.00 C ATOM 740 C ASP A 67 3.773 20.542 -24.118 1.00 0.00 C ATOM 741 O ASP A 67 2.782 20.443 -23.394 1.00 0.00 O ATOM 742 CB ASP A 67 4.596 18.305 -24.983 1.00 0.00 C ATOM 743 CG ASP A 67 4.743 18.579 -26.498 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.753 19.760 -26.925 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.823 17.597 -27.273 1.00 0.00 O ATOM 0 H ASP A 67 4.899 18.124 -22.508 1.00 0.00 H new ATOM 0 HA ASP A 67 5.810 20.005 -24.469 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.252 17.478 -24.711 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.575 17.981 -24.783 1.00 0.00 H new ATOM 750 N GLN A 68 3.882 21.497 -25.038 1.00 0.00 N ATOM 751 CA GLN A 68 2.870 22.487 -25.415 1.00 0.00 C ATOM 752 C GLN A 68 1.594 21.802 -25.943 1.00 0.00 C ATOM 753 O GLN A 68 0.477 22.247 -25.675 1.00 0.00 O ATOM 754 CB GLN A 68 3.427 23.383 -26.546 1.00 0.00 C ATOM 755 CG GLN A 68 4.924 23.756 -26.488 1.00 0.00 C ATOM 756 CD GLN A 68 5.678 23.406 -27.775 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.169 24.272 -28.488 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.815 22.143 -28.136 1.00 0.00 N ATOM 0 H GLN A 68 4.739 21.610 -25.579 1.00 0.00 H new ATOM 0 HA GLN A 68 2.628 23.074 -24.529 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.242 22.880 -27.495 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.850 24.308 -26.557 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.019 24.825 -26.297 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.389 23.239 -25.649 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.416 21.402 -27.560 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.320 21.909 -28.991 1.00 0.00 H new ATOM 767 N GLN A 69 1.772 20.695 -26.676 1.00 0.00 N ATOM 768 CA GLN A 69 0.677 19.895 -27.248 1.00 0.00 C ATOM 769 C GLN A 69 0.067 18.892 -26.248 1.00 0.00 C ATOM 770 O GLN A 69 -1.116 18.562 -26.353 1.00 0.00 O ATOM 771 CB GLN A 69 1.174 19.154 -28.505 1.00 0.00 C ATOM 772 CG GLN A 69 1.127 20.000 -29.789 1.00 0.00 C ATOM 773 CD GLN A 69 2.030 21.231 -29.763 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.580 22.370 -29.712 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.334 21.061 -29.797 1.00 0.00 N ATOM 0 H GLN A 69 2.696 20.322 -26.893 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.119 20.592 -27.511 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.199 18.823 -28.338 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.569 18.259 -28.650 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.411 19.373 -30.634 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.100 20.321 -29.962 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.725 20.120 -29.840 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.954 21.870 -29.781 1.00 0.00 H new ATOM 784 N GLU A 70 0.853 18.405 -25.282 1.00 0.00 N ATOM 785 CA GLU A 70 0.471 17.358 -24.322 1.00 0.00 C ATOM 786 C GLU A 70 1.055 17.650 -22.930 1.00 0.00 C ATOM 787 O GLU A 70 2.168 17.244 -22.601 1.00 0.00 O ATOM 788 CB GLU A 70 0.931 15.976 -24.831 1.00 0.00 C ATOM 789 CG GLU A 70 0.080 15.451 -25.994 1.00 0.00 C ATOM 790 CD GLU A 70 0.371 13.963 -26.264 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.236 13.096 -25.586 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.193 13.648 -27.159 1.00 0.00 O ATOM 0 H GLU A 70 1.806 18.739 -25.140 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.615 17.351 -24.233 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.971 16.040 -25.150 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.893 15.261 -24.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.977 15.582 -25.764 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.286 16.034 -26.892 1.00 0.00 H new ATOM 799 N GLN A 71 0.291 18.347 -22.087 1.00 0.00 N ATOM 800 CA GLN A 71 0.719 18.781 -20.750 1.00 0.00 C ATOM 801 C GLN A 71 1.044 17.620 -19.790 1.00 0.00 C ATOM 802 O GLN A 71 1.851 17.770 -18.875 1.00 0.00 O ATOM 803 CB GLN A 71 -0.409 19.635 -20.163 1.00 0.00 C ATOM 804 CG GLN A 71 -0.369 21.106 -20.604 1.00 0.00 C ATOM 805 CD GLN A 71 -0.783 21.361 -22.054 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.926 21.682 -22.352 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.107 21.244 -23.016 1.00 0.00 N ATOM 0 H GLN A 71 -0.661 18.633 -22.316 1.00 0.00 H new ATOM 0 HA GLN A 71 1.648 19.340 -20.859 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.367 19.204 -20.454 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.357 19.590 -19.075 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.022 21.683 -19.949 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.643 21.485 -20.460 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.066 20.978 -22.794 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.162 21.420 -23.984 1.00 0.00 H new ATOM 816 N HIS A 72 0.435 16.452 -20.001 1.00 0.00 N ATOM 817 CA HIS A 72 0.699 15.200 -19.293 1.00 0.00 C ATOM 818 C HIS A 72 1.938 14.437 -19.817 1.00 0.00 C ATOM 819 O HIS A 72 2.337 13.443 -19.216 1.00 0.00 O ATOM 820 CB HIS A 72 -0.586 14.359 -19.401 1.00 0.00 C ATOM 821 CG HIS A 72 -1.054 14.227 -20.823 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.862 15.153 -21.484 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.574 13.326 -21.723 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.864 14.784 -22.772 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.105 13.685 -22.946 1.00 0.00 N ATOM 0 H HIS A 72 -0.294 16.349 -20.707 1.00 0.00 H new ATOM 0 HA HIS A 72 0.948 15.414 -18.254 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.407 13.368 -18.985 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.372 14.819 -18.802 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.089 12.497 -21.521 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.398 15.295 -23.559 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.949 13.201 -23.830 1.00 0.00 H new ATOM 833 N MET A 73 2.558 14.872 -20.919 1.00 0.00 N ATOM 834 CA MET A 73 3.798 14.311 -21.469 1.00 0.00 C ATOM 835 C MET A 73 4.986 15.204 -21.087 1.00 0.00 C ATOM 836 O MET A 73 4.990 16.403 -21.372 1.00 0.00 O ATOM 837 CB MET A 73 3.660 14.152 -22.991 1.00 0.00 C ATOM 838 CG MET A 73 4.879 13.473 -23.620 1.00 0.00 C ATOM 839 SD MET A 73 5.183 11.780 -23.051 1.00 0.00 S ATOM 840 CE MET A 73 6.759 11.487 -23.891 1.00 0.00 C ATOM 0 H MET A 73 2.199 15.650 -21.472 1.00 0.00 H new ATOM 0 HA MET A 73 3.982 13.323 -21.048 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.767 13.567 -23.213 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.520 15.133 -23.445 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.752 13.460 -24.703 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.762 14.076 -23.410 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.291 10.676 -23.394 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.573 11.215 -24.930 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.364 12.393 -23.856 1.00 0.00 H new ATOM 850 N VAL A 74 5.998 14.630 -20.436 1.00 0.00 N ATOM 851 CA VAL A 74 7.107 15.368 -19.809 1.00 0.00 C ATOM 852 C VAL A 74 8.396 15.199 -20.631 1.00 0.00 C ATOM 853 O VAL A 74 8.722 14.094 -21.069 1.00 0.00 O ATOM 854 CB VAL A 74 7.324 14.900 -18.356 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.305 15.839 -17.647 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.015 14.898 -17.548 1.00 0.00 C ATOM 0 H VAL A 74 6.076 13.619 -20.325 1.00 0.00 H new ATOM 0 HA VAL A 74 6.846 16.426 -19.788 1.00 0.00 H new ATOM 0 HB VAL A 74 7.714 13.884 -18.407 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.454 15.503 -16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.260 15.832 -18.173 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.901 16.851 -17.642 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.216 14.562 -16.531 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.602 15.906 -17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.298 14.225 -18.018 1.00 0.00 H new ATOM 866 N TYR A 75 9.148 16.287 -20.801 1.00 0.00 N ATOM 867 CA TYR A 75 10.406 16.403 -21.546 1.00 0.00 C ATOM 868 C TYR A 75 11.505 17.062 -20.680 1.00 0.00 C ATOM 869 O TYR A 75 11.745 18.270 -20.731 1.00 0.00 O ATOM 870 CB TYR A 75 10.146 17.162 -22.855 1.00 0.00 C ATOM 871 CG TYR A 75 9.481 16.277 -23.885 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.248 15.272 -24.501 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.107 16.396 -24.172 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.647 14.373 -25.396 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.507 15.508 -25.086 1.00 0.00 C ATOM 876 CZ TYR A 75 8.272 14.492 -25.699 1.00 0.00 C ATOM 877 OH TYR A 75 7.677 13.631 -26.572 1.00 0.00 O ATOM 0 H TYR A 75 8.874 17.180 -20.391 1.00 0.00 H new ATOM 0 HA TYR A 75 10.779 15.411 -21.800 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.515 18.028 -22.656 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.089 17.539 -23.252 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.303 15.192 -24.285 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.517 17.164 -23.694 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.235 13.591 -25.853 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.457 15.605 -25.319 1.00 0.00 H new ATOM 0 HH TYR A 75 6.728 13.859 -26.661 1.00 0.00 H new ATOM 887 N CYS A 76 12.199 16.245 -19.883 1.00 0.00 N ATOM 888 CA CYS A 76 13.291 16.619 -18.977 1.00 0.00 C ATOM 889 C CYS A 76 14.687 16.686 -19.628 1.00 0.00 C ATOM 890 O CYS A 76 15.683 16.774 -18.910 1.00 0.00 O ATOM 891 CB CYS A 76 13.291 15.671 -17.766 1.00 0.00 C ATOM 892 SG CYS A 76 11.763 15.828 -16.799 1.00 0.00 S ATOM 0 H CYS A 76 12.003 15.245 -19.850 1.00 0.00 H new ATOM 0 HA CYS A 76 13.091 17.644 -18.665 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.402 14.642 -18.108 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.149 15.890 -17.131 1.00 0.00 H new ATOM 0 HG CYS A 76 11.803 15.010 -15.789 1.00 0.00 H new ATOM 898 N GLY A 77 14.798 16.628 -20.960 1.00 0.00 N ATOM 899 CA GLY A 77 16.091 16.695 -21.655 1.00 0.00 C ATOM 900 C GLY A 77 16.890 17.957 -21.291 1.00 0.00 C ATOM 901 O GLY A 77 16.400 19.079 -21.443 1.00 0.00 O ATOM 0 H GLY A 77 13.998 16.534 -21.586 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.680 15.812 -21.407 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.923 16.673 -22.732 1.00 0.00 H new ATOM 905 N GLY A 78 18.113 17.768 -20.783 1.00 0.00 N ATOM 906 CA GLY A 78 18.996 18.838 -20.293 1.00 0.00 C ATOM 907 C GLY A 78 18.755 19.293 -18.841 1.00 0.00 C ATOM 908 O GLY A 78 19.495 20.149 -18.350 1.00 0.00 O ATOM 0 H GLY A 78 18.530 16.841 -20.698 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.029 18.500 -20.381 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.886 19.702 -20.948 1.00 0.00 H new ATOM 912 N ASP A 79 17.764 18.735 -18.134 1.00 0.00 N ATOM 913 CA ASP A 79 17.512 18.992 -16.705 1.00 0.00 C ATOM 914 C ASP A 79 18.224 17.974 -15.794 1.00 0.00 C ATOM 915 O ASP A 79 18.485 16.842 -16.212 1.00 0.00 O ATOM 916 CB ASP A 79 16.001 18.979 -16.432 1.00 0.00 C ATOM 917 CG ASP A 79 15.679 19.651 -15.100 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.633 20.901 -15.032 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.516 18.918 -14.103 1.00 0.00 O ATOM 0 H ASP A 79 17.100 18.079 -18.545 1.00 0.00 H new ATOM 0 HA ASP A 79 17.921 19.975 -16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.478 19.493 -17.238 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.639 17.951 -16.422 1.00 0.00 H new ATOM 924 N LEU A 80 18.472 18.331 -14.525 1.00 0.00 N ATOM 925 CA LEU A 80 18.967 17.386 -13.514 1.00 0.00 C ATOM 926 C LEU A 80 18.010 16.197 -13.365 1.00 0.00 C ATOM 927 O LEU A 80 18.461 15.052 -13.387 1.00 0.00 O ATOM 928 CB LEU A 80 19.137 18.094 -12.158 1.00 0.00 C ATOM 929 CG LEU A 80 20.357 17.622 -11.337 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.434 18.447 -10.050 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.361 16.147 -10.927 1.00 0.00 C ATOM 0 H LEU A 80 18.336 19.278 -14.172 1.00 0.00 H new ATOM 0 HA LEU A 80 19.936 17.013 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.225 19.167 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.235 17.939 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 80 21.208 17.759 -12.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.292 18.123 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.543 19.502 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.522 18.304 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.264 15.930 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.485 15.938 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.337 15.521 -11.819 1.00 0.00 H new ATOM 943 N LEU A 81 16.691 16.442 -13.277 1.00 0.00 N ATOM 944 CA LEU A 81 15.711 15.357 -13.224 1.00 0.00 C ATOM 945 C LEU A 81 15.849 14.387 -14.421 1.00 0.00 C ATOM 946 O LEU A 81 15.771 13.175 -14.236 1.00 0.00 O ATOM 947 CB LEU A 81 14.293 15.959 -13.112 1.00 0.00 C ATOM 948 CG LEU A 81 13.124 14.951 -13.154 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.244 13.809 -12.139 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.811 15.690 -12.883 1.00 0.00 C ATOM 0 H LEU A 81 16.286 17.378 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 81 15.902 14.751 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.230 16.519 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.159 16.675 -13.923 1.00 0.00 H new ATOM 0 HG LEU A 81 13.150 14.503 -14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.384 13.146 -12.234 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.158 13.247 -12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.275 14.221 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.983 14.982 -12.912 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.854 16.159 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.661 16.456 -13.644 1.00 0.00 H new ATOM 962 N GLY A 82 16.123 14.892 -15.630 1.00 0.00 N ATOM 963 CA GLY A 82 16.350 14.068 -16.829 1.00 0.00 C ATOM 964 C GLY A 82 17.660 13.274 -16.787 1.00 0.00 C ATOM 965 O GLY A 82 17.674 12.072 -17.060 1.00 0.00 O ATOM 0 H GLY A 82 16.195 15.894 -15.808 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.518 13.374 -16.946 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.353 14.713 -17.708 1.00 0.00 H new ATOM 969 N GLU A 83 18.757 13.915 -16.371 1.00 0.00 N ATOM 970 CA GLU A 83 20.065 13.261 -16.204 1.00 0.00 C ATOM 971 C GLU A 83 20.004 12.129 -15.160 1.00 0.00 C ATOM 972 O GLU A 83 20.622 11.076 -15.332 1.00 0.00 O ATOM 973 CB GLU A 83 21.153 14.321 -15.915 1.00 0.00 C ATOM 974 CG GLU A 83 21.857 14.252 -14.553 1.00 0.00 C ATOM 975 CD GLU A 83 22.983 15.301 -14.468 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.709 16.481 -14.138 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.161 14.952 -14.731 1.00 0.00 O ATOM 0 H GLU A 83 18.766 14.908 -16.139 1.00 0.00 H new ATOM 0 HA GLU A 83 20.344 12.770 -17.136 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.913 14.245 -16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.698 15.307 -16.010 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.134 14.422 -13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.270 13.255 -14.402 1.00 0.00 H new ATOM 984 N LEU A 84 19.196 12.329 -14.115 1.00 0.00 N ATOM 985 CA LEU A 84 18.943 11.367 -13.044 1.00 0.00 C ATOM 986 C LEU A 84 18.005 10.220 -13.463 1.00 0.00 C ATOM 987 O LEU A 84 18.230 9.065 -13.097 1.00 0.00 O ATOM 988 CB LEU A 84 18.408 12.167 -11.852 1.00 0.00 C ATOM 989 CG LEU A 84 18.179 11.351 -10.576 1.00 0.00 C ATOM 990 CD1 LEU A 84 19.418 10.562 -10.138 1.00 0.00 C ATOM 991 CD2 LEU A 84 17.841 12.336 -9.467 1.00 0.00 C ATOM 0 H LEU A 84 18.681 13.200 -13.989 1.00 0.00 H new ATOM 0 HA LEU A 84 19.867 10.855 -12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.109 12.972 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.467 12.634 -12.140 1.00 0.00 H new ATOM 0 HG LEU A 84 17.384 10.632 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.192 10.005 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.705 9.867 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.240 11.252 -9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.670 11.793 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.669 13.032 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.941 12.890 -9.734 1.00 0.00 H new ATOM 1003 N LEU A 85 16.988 10.525 -14.272 1.00 0.00 N ATOM 1004 CA LEU A 85 16.134 9.539 -14.949 1.00 0.00 C ATOM 1005 C LEU A 85 16.946 8.679 -15.940 1.00 0.00 C ATOM 1006 O LEU A 85 16.611 7.516 -16.167 1.00 0.00 O ATOM 1007 CB LEU A 85 15.013 10.294 -15.696 1.00 0.00 C ATOM 1008 CG LEU A 85 13.692 10.281 -14.922 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.778 11.383 -15.441 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.984 8.934 -15.098 1.00 0.00 C ATOM 0 H LEU A 85 16.727 11.488 -14.482 1.00 0.00 H new ATOM 0 HA LEU A 85 15.708 8.866 -14.205 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.323 11.325 -15.866 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.863 9.841 -16.676 1.00 0.00 H new ATOM 0 HG LEU A 85 13.911 10.443 -13.867 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.840 11.369 -14.886 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.263 12.350 -15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.576 11.220 -16.500 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.047 8.940 -14.542 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.778 8.767 -16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.623 8.135 -14.722 1.00 0.00 H new ATOM 1022 N GLY A 86 17.995 9.256 -16.544 1.00 0.00 N ATOM 1023 CA GLY A 86 18.790 8.640 -17.618 1.00 0.00 C ATOM 1024 C GLY A 86 18.105 8.700 -18.993 1.00 0.00 C ATOM 1025 O GLY A 86 18.522 8.017 -19.932 1.00 0.00 O ATOM 0 H GLY A 86 18.323 10.189 -16.293 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.756 9.142 -17.679 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.987 7.599 -17.363 1.00 0.00 H new ATOM 1029 N ARG A 87 17.030 9.495 -19.094 1.00 0.00 N ATOM 1030 CA ARG A 87 16.143 9.666 -20.255 1.00 0.00 C ATOM 1031 C ARG A 87 15.495 11.046 -20.229 1.00 0.00 C ATOM 1032 O ARG A 87 15.146 11.568 -19.172 1.00 0.00 O ATOM 1033 CB ARG A 87 15.100 8.529 -20.310 1.00 0.00 C ATOM 1034 CG ARG A 87 14.258 8.387 -19.034 1.00 0.00 C ATOM 1035 CD ARG A 87 13.375 7.141 -19.041 1.00 0.00 C ATOM 1036 NE ARG A 87 12.321 7.236 -20.065 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.886 6.314 -20.903 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.333 5.091 -20.905 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.971 6.639 -21.767 1.00 0.00 N ATOM 0 H ARG A 87 16.736 10.078 -18.310 1.00 0.00 H new ATOM 0 HA ARG A 87 16.733 9.604 -21.169 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.433 8.703 -21.155 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.615 7.587 -20.499 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.921 8.352 -18.169 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.630 9.271 -18.919 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.988 6.260 -19.228 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.920 7.010 -18.059 1.00 0.00 H new ATOM 0 HE ARG A 87 11.862 8.144 -20.137 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.052 4.810 -20.238 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.964 4.414 -21.573 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.604 7.590 -21.788 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.620 5.943 -22.424 1.00 0.00 H new ATOM 1053 N GLN A 88 15.303 11.610 -21.416 1.00 0.00 N ATOM 1054 CA GLN A 88 14.689 12.927 -21.610 1.00 0.00 C ATOM 1055 C GLN A 88 13.177 12.946 -21.417 1.00 0.00 C ATOM 1056 O GLN A 88 12.615 14.029 -21.352 1.00 0.00 O ATOM 1057 CB GLN A 88 15.048 13.447 -23.007 1.00 0.00 C ATOM 1058 CG GLN A 88 14.492 12.625 -24.187 1.00 0.00 C ATOM 1059 CD GLN A 88 15.041 13.117 -25.527 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.965 12.550 -26.097 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.515 14.192 -26.080 1.00 0.00 N ATOM 0 H GLN A 88 15.574 11.159 -22.290 1.00 0.00 H new ATOM 0 HA GLN A 88 15.092 13.578 -20.834 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.686 14.471 -23.098 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.134 13.484 -23.093 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.749 11.574 -24.052 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.404 12.688 -24.194 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.745 14.677 -25.620 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.878 14.538 -26.968 1.00 0.00 H new ATOM 1070 N SER A 89 12.501 11.801 -21.380 1.00 0.00 N ATOM 1071 CA SER A 89 11.022 11.801 -21.385 1.00 0.00 C ATOM 1072 C SER A 89 10.311 10.593 -20.772 1.00 0.00 C ATOM 1073 O SER A 89 10.815 9.470 -20.758 1.00 0.00 O ATOM 1074 CB SER A 89 10.516 12.002 -22.821 1.00 0.00 C ATOM 1075 OG SER A 89 10.947 10.942 -23.665 1.00 0.00 O ATOM 0 H SER A 89 12.931 10.877 -21.347 1.00 0.00 H new ATOM 0 HA SER A 89 10.764 12.626 -20.720 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.427 12.054 -22.823 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.881 12.953 -23.210 1.00 0.00 H new ATOM 0 HG SER A 89 10.612 11.090 -24.574 1.00 0.00 H new ATOM 1081 N PHE A 90 9.102 10.855 -20.273 1.00 0.00 N ATOM 1082 CA PHE A 90 8.126 9.923 -19.693 1.00 0.00 C ATOM 1083 C PHE A 90 6.735 10.598 -19.708 1.00 0.00 C ATOM 1084 O PHE A 90 6.621 11.799 -19.970 1.00 0.00 O ATOM 1085 CB PHE A 90 8.543 9.551 -18.260 1.00 0.00 C ATOM 1086 CG PHE A 90 8.592 10.722 -17.302 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.751 11.514 -17.229 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.473 11.039 -16.510 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.800 12.607 -16.350 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.522 12.132 -15.629 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.699 12.898 -15.521 1.00 0.00 C ATOM 0 H PHE A 90 8.746 11.811 -20.262 1.00 0.00 H new ATOM 0 HA PHE A 90 8.086 9.004 -20.277 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.846 8.808 -17.872 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.526 9.080 -18.291 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.604 11.281 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.576 10.442 -16.579 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.684 13.226 -16.309 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.657 12.385 -15.034 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.757 13.705 -14.806 1.00 0.00 H new ATOM 1101 N SER A 91 5.672 9.852 -19.401 1.00 0.00 N ATOM 1102 CA SER A 91 4.296 10.368 -19.344 1.00 0.00 C ATOM 1103 C SER A 91 3.685 10.210 -17.951 1.00 0.00 C ATOM 1104 O SER A 91 3.998 9.276 -17.213 1.00 0.00 O ATOM 1105 CB SER A 91 3.435 9.644 -20.386 1.00 0.00 C ATOM 1106 OG SER A 91 2.081 10.066 -20.305 1.00 0.00 O ATOM 0 H SER A 91 5.740 8.858 -19.181 1.00 0.00 H new ATOM 0 HA SER A 91 4.325 11.435 -19.566 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.823 9.842 -21.385 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.495 8.567 -20.228 1.00 0.00 H new ATOM 0 HG SER A 91 1.550 9.593 -20.979 1.00 0.00 H new ATOM 1112 N VAL A 92 2.739 11.087 -17.622 1.00 0.00 N ATOM 1113 CA VAL A 92 1.845 10.990 -16.454 1.00 0.00 C ATOM 1114 C VAL A 92 1.086 9.648 -16.455 1.00 0.00 C ATOM 1115 O VAL A 92 0.765 9.112 -15.392 1.00 0.00 O ATOM 1116 CB VAL A 92 0.877 12.181 -16.531 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.476 12.043 -15.837 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.547 13.471 -16.047 1.00 0.00 C ATOM 0 H VAL A 92 2.561 11.922 -18.181 1.00 0.00 H new ATOM 0 HA VAL A 92 2.414 11.023 -15.525 1.00 0.00 H new ATOM 0 HB VAL A 92 0.642 12.211 -17.595 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.051 12.959 -15.975 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.022 11.203 -16.267 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.323 11.868 -14.772 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.838 14.296 -16.113 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.866 13.349 -15.012 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.414 13.687 -16.671 1.00 0.00 H new ATOM 1128 N LYS A 93 0.840 9.078 -17.648 1.00 0.00 N ATOM 1129 CA LYS A 93 0.204 7.763 -17.863 1.00 0.00 C ATOM 1130 C LYS A 93 1.200 6.587 -17.932 1.00 0.00 C ATOM 1131 O LYS A 93 0.782 5.439 -18.085 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.720 7.838 -19.096 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.946 8.737 -18.840 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.952 8.723 -20.006 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.528 9.574 -21.217 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.849 11.021 -21.033 1.00 0.00 N ATOM 0 H LYS A 93 1.088 9.538 -18.524 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.398 7.540 -16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.159 8.223 -19.948 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.054 6.835 -19.361 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.448 8.408 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.611 9.760 -18.668 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.097 7.693 -20.333 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.916 9.082 -19.644 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.457 9.460 -21.381 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.029 9.204 -22.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.608 11.543 -21.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.864 11.129 -20.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.299 11.400 -20.236 1.00 0.00 H new ATOM 1150 N ASP A 94 2.504 6.852 -17.807 1.00 0.00 N ATOM 1151 CA ASP A 94 3.585 5.853 -17.787 1.00 0.00 C ATOM 1152 C ASP A 94 4.664 6.209 -16.730 1.00 0.00 C ATOM 1153 O ASP A 94 5.762 6.656 -17.082 1.00 0.00 O ATOM 1154 CB ASP A 94 4.167 5.701 -19.204 1.00 0.00 C ATOM 1155 CG ASP A 94 5.245 4.602 -19.289 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.191 3.619 -18.509 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.132 4.699 -20.171 1.00 0.00 O ATOM 0 H ASP A 94 2.853 7.806 -17.713 1.00 0.00 H new ATOM 0 HA ASP A 94 3.180 4.887 -17.485 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.361 5.469 -19.900 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.597 6.651 -19.520 1.00 0.00 H new ATOM 1162 N PRO A 95 4.364 6.041 -15.423 1.00 0.00 N ATOM 1163 CA PRO A 95 5.243 6.448 -14.316 1.00 0.00 C ATOM 1164 C PRO A 95 6.496 5.573 -14.128 1.00 0.00 C ATOM 1165 O PRO A 95 7.430 5.976 -13.435 1.00 0.00 O ATOM 1166 CB PRO A 95 4.352 6.373 -13.072 1.00 0.00 C ATOM 1167 CG PRO A 95 3.329 5.293 -13.411 1.00 0.00 C ATOM 1168 CD PRO A 95 3.103 5.523 -14.902 1.00 0.00 C ATOM 0 HA PRO A 95 5.648 7.440 -14.517 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.928 6.112 -12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.870 7.329 -12.869 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.710 4.292 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.410 5.408 -12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.825 4.595 -15.403 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.291 6.231 -15.069 1.00 0.00 H new ATOM 1176 N SER A 96 6.516 4.376 -14.722 1.00 0.00 N ATOM 1177 CA SER A 96 7.513 3.308 -14.541 1.00 0.00 C ATOM 1178 C SER A 96 8.977 3.759 -14.356 1.00 0.00 C ATOM 1179 O SER A 96 9.572 3.367 -13.345 1.00 0.00 O ATOM 1180 CB SER A 96 7.401 2.311 -15.704 1.00 0.00 C ATOM 1181 OG SER A 96 8.247 1.191 -15.490 1.00 0.00 O ATOM 0 H SER A 96 5.790 4.106 -15.386 1.00 0.00 H new ATOM 0 HA SER A 96 7.264 2.845 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.368 1.978 -15.806 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.671 2.803 -16.638 1.00 0.00 H new ATOM 0 HG SER A 96 8.160 0.567 -16.241 1.00 0.00 H new ATOM 1187 N PRO A 97 9.589 4.602 -15.223 1.00 0.00 N ATOM 1188 CA PRO A 97 11.010 4.925 -15.070 1.00 0.00 C ATOM 1189 C PRO A 97 11.326 5.763 -13.821 1.00 0.00 C ATOM 1190 O PRO A 97 12.437 5.673 -13.304 1.00 0.00 O ATOM 1191 CB PRO A 97 11.403 5.650 -16.354 1.00 0.00 C ATOM 1192 CG PRO A 97 10.102 6.300 -16.817 1.00 0.00 C ATOM 1193 CD PRO A 97 9.059 5.255 -16.422 1.00 0.00 C ATOM 0 HA PRO A 97 11.588 4.013 -14.918 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.179 6.393 -16.172 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.793 4.958 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.927 7.256 -16.324 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.101 6.490 -17.890 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.094 5.721 -16.220 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.903 4.534 -17.224 1.00 0.00 H new ATOM 1201 N LEU A 98 10.364 6.527 -13.284 1.00 0.00 N ATOM 1202 CA LEU A 98 10.518 7.267 -12.031 1.00 0.00 C ATOM 1203 C LEU A 98 10.663 6.275 -10.866 1.00 0.00 C ATOM 1204 O LEU A 98 11.617 6.285 -10.089 1.00 0.00 O ATOM 1205 CB LEU A 98 9.251 8.127 -11.798 1.00 0.00 C ATOM 1206 CG LEU A 98 8.782 9.026 -12.954 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.360 9.522 -12.689 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.697 10.233 -13.100 1.00 0.00 C ATOM 0 H LEU A 98 9.448 6.647 -13.716 1.00 0.00 H new ATOM 0 HA LEU A 98 11.402 7.902 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.432 7.456 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.430 8.761 -10.930 1.00 0.00 H new ATOM 0 HG LEU A 98 8.808 8.437 -13.871 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.037 10.158 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.687 8.669 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.341 10.093 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.348 10.857 -13.923 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.686 10.812 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.713 9.896 -13.305 1.00 0.00 H new ATOM 1220 N TYR A 99 9.726 5.335 -10.784 1.00 0.00 N ATOM 1221 CA TYR A 99 9.725 4.342 -9.721 1.00 0.00 C ATOM 1222 C TYR A 99 10.988 3.469 -9.789 1.00 0.00 C ATOM 1223 O TYR A 99 11.552 3.132 -8.755 1.00 0.00 O ATOM 1224 CB TYR A 99 8.423 3.534 -9.801 1.00 0.00 C ATOM 1225 CG TYR A 99 7.209 4.274 -9.255 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.585 5.310 -9.988 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.713 3.923 -7.983 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.475 5.988 -9.440 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.595 4.586 -7.446 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.971 5.621 -8.171 1.00 0.00 C ATOM 1231 OH TYR A 99 3.883 6.247 -7.642 1.00 0.00 O ATOM 0 H TYR A 99 8.955 5.242 -11.446 1.00 0.00 H new ATOM 0 HA TYR A 99 9.756 4.828 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.236 3.265 -10.841 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.549 2.603 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.957 5.582 -10.965 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.195 3.140 -7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.009 6.790 -9.992 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.214 4.302 -6.476 1.00 0.00 H new ATOM 0 HH TYR A 99 3.679 5.863 -6.764 1.00 0.00 H new ATOM 1241 N ASP A 100 11.523 3.218 -10.985 1.00 0.00 N ATOM 1242 CA ASP A 100 12.773 2.478 -11.203 1.00 0.00 C ATOM 1243 C ASP A 100 14.020 3.273 -10.801 1.00 0.00 C ATOM 1244 O ASP A 100 14.950 2.729 -10.209 1.00 0.00 O ATOM 1245 CB ASP A 100 12.858 2.085 -12.669 1.00 0.00 C ATOM 1246 CG ASP A 100 13.868 0.949 -12.891 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.597 -0.186 -12.429 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.921 1.184 -13.530 1.00 0.00 O ATOM 0 H ASP A 100 11.089 3.531 -11.854 1.00 0.00 H new ATOM 0 HA ASP A 100 12.751 1.596 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.875 1.772 -13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.148 2.952 -13.263 1.00 0.00 H new ATOM 1253 N MET A 101 14.008 4.584 -11.050 1.00 0.00 N ATOM 1254 CA MET A 101 15.030 5.502 -10.527 1.00 0.00 C ATOM 1255 C MET A 101 14.987 5.563 -8.990 1.00 0.00 C ATOM 1256 O MET A 101 16.020 5.797 -8.373 1.00 0.00 O ATOM 1257 CB MET A 101 14.985 6.888 -11.211 1.00 0.00 C ATOM 1258 CG MET A 101 14.313 7.971 -10.362 1.00 0.00 C ATOM 1259 SD MET A 101 13.738 9.427 -11.258 1.00 0.00 S ATOM 1260 CE MET A 101 12.385 9.892 -10.146 1.00 0.00 C ATOM 0 H MET A 101 13.294 5.041 -11.617 1.00 0.00 H new ATOM 0 HA MET A 101 16.008 5.097 -10.788 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.002 7.201 -11.445 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.453 6.799 -12.158 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.462 7.526 -9.846 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.017 8.294 -9.595 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.814 10.708 -10.589 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.731 9.034 -9.990 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.795 10.214 -9.189 1.00 0.00 H new ATOM 1270 N LEU A 102 13.824 5.353 -8.353 1.00 0.00 N ATOM 1271 CA LEU A 102 13.693 5.286 -6.898 1.00 0.00 C ATOM 1272 C LEU A 102 14.106 3.914 -6.370 1.00 0.00 C ATOM 1273 O LEU A 102 14.789 3.885 -5.356 1.00 0.00 O ATOM 1274 CB LEU A 102 12.266 5.659 -6.448 1.00 0.00 C ATOM 1275 CG LEU A 102 11.862 7.114 -6.736 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.417 7.352 -6.304 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.751 8.146 -6.043 1.00 0.00 C ATOM 0 H LEU A 102 12.940 5.224 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 102 14.373 6.021 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.558 4.995 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.178 5.477 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 102 11.981 7.248 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.141 8.386 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.757 6.682 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.320 7.159 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.406 9.149 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.701 8.003 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.781 8.023 -6.378 1.00 0.00 H new ATOM 1289 N ARG A 103 13.814 2.803 -7.065 1.00 0.00 N ATOM 1290 CA ARG A 103 14.072 1.420 -6.599 1.00 0.00 C ATOM 1291 C ARG A 103 15.458 1.206 -5.962 1.00 0.00 C ATOM 1292 O ARG A 103 15.590 0.496 -4.965 1.00 0.00 O ATOM 1293 CB ARG A 103 13.925 0.426 -7.774 1.00 0.00 C ATOM 1294 CG ARG A 103 12.493 -0.037 -8.081 1.00 0.00 C ATOM 1295 CD ARG A 103 12.503 -1.140 -9.147 1.00 0.00 C ATOM 1296 NE ARG A 103 11.131 -1.577 -9.473 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.582 -1.729 -10.668 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.196 -1.449 -11.783 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.363 -2.180 -10.766 1.00 0.00 N ATOM 0 H ARG A 103 13.382 2.836 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 103 13.330 1.242 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.337 0.889 -8.671 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.533 -0.453 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.021 -0.407 -7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.898 0.808 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.995 -0.774 -10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.083 -1.990 -8.789 1.00 0.00 H new ATOM 0 HE ARG A 103 10.530 -1.789 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.151 -1.092 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.721 -1.587 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.837 -2.414 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.935 -2.299 -11.684 1.00 0.00 H new ATOM 1313 N LYS A 104 16.478 1.829 -6.563 1.00 0.00 N ATOM 1314 CA LYS A 104 17.905 1.792 -6.204 1.00 0.00 C ATOM 1315 C LYS A 104 18.460 3.058 -5.519 1.00 0.00 C ATOM 1316 O LYS A 104 19.596 3.050 -5.051 1.00 0.00 O ATOM 1317 CB LYS A 104 18.721 1.343 -7.438 1.00 0.00 C ATOM 1318 CG LYS A 104 18.253 1.791 -8.839 1.00 0.00 C ATOM 1319 CD LYS A 104 18.006 3.298 -9.015 1.00 0.00 C ATOM 1320 CE LYS A 104 19.201 4.216 -8.705 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.338 4.016 -9.654 1.00 0.00 N ATOM 0 H LYS A 104 16.317 2.420 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 104 18.014 1.054 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.744 1.694 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.755 0.254 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.000 1.478 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.331 1.261 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.692 3.477 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.174 3.588 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.876 5.256 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.544 4.029 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.117 4.657 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.668 3.031 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.021 4.220 -10.623 1.00 0.00 H new ATOM 1335 N ASN A 105 17.688 4.149 -5.475 1.00 0.00 N ATOM 1336 CA ASN A 105 18.064 5.430 -4.844 1.00 0.00 C ATOM 1337 C ASN A 105 17.444 5.586 -3.444 1.00 0.00 C ATOM 1338 O ASN A 105 18.053 6.145 -2.532 1.00 0.00 O ATOM 1339 CB ASN A 105 17.587 6.562 -5.760 1.00 0.00 C ATOM 1340 CG ASN A 105 18.396 7.787 -5.456 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.054 8.596 -4.613 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.563 7.869 -6.046 1.00 0.00 N ATOM 0 H ASN A 105 16.756 4.171 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 105 19.146 5.461 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.705 6.279 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.527 6.758 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.206 8.622 -5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.828 7.180 -6.750 1.00 0.00 H new ATOM 1349 N LEU A 106 16.209 5.098 -3.312 1.00 0.00 N ATOM 1350 CA LEU A 106 15.323 5.262 -2.162 1.00 0.00 C ATOM 1351 C LEU A 106 14.786 3.909 -1.658 1.00 0.00 C ATOM 1352 O LEU A 106 14.175 3.140 -2.400 1.00 0.00 O ATOM 1353 CB LEU A 106 14.212 6.231 -2.611 1.00 0.00 C ATOM 1354 CG LEU A 106 13.002 6.349 -1.678 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.379 6.860 -0.284 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.993 7.337 -2.246 1.00 0.00 C ATOM 0 H LEU A 106 15.776 4.544 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 106 15.852 5.675 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.650 7.222 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.859 5.916 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 106 12.588 5.344 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.484 6.924 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.089 6.173 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.833 7.847 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.138 7.411 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.461 8.316 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.656 6.992 -3.224 1.00 0.00 H new ATOM 1368 N VAL A 107 14.972 3.660 -0.359 1.00 0.00 N ATOM 1369 CA VAL A 107 14.411 2.507 0.373 1.00 0.00 C ATOM 1370 C VAL A 107 13.050 2.881 0.982 1.00 0.00 C ATOM 1371 O VAL A 107 12.868 4.004 1.451 1.00 0.00 O ATOM 1372 CB VAL A 107 15.406 1.987 1.436 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.873 0.768 2.202 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.736 1.572 0.789 1.00 0.00 C ATOM 0 H VAL A 107 15.533 4.270 0.236 1.00 0.00 H new ATOM 0 HA VAL A 107 14.246 1.688 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 107 15.548 2.815 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.613 0.446 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.949 1.036 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.678 -0.045 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.418 1.210 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 107 16.556 0.780 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.180 2.431 0.286 1.00 0.00 H new ATOM 1384 N THR A 108 12.089 1.951 0.983 1.00 0.00 N ATOM 1385 CA THR A 108 10.710 2.162 1.464 1.00 0.00 C ATOM 1386 C THR A 108 10.273 1.100 2.485 1.00 0.00 C ATOM 1387 O THR A 108 10.908 0.054 2.641 1.00 0.00 O ATOM 1388 CB THR A 108 9.742 2.272 0.269 1.00 0.00 C ATOM 1389 OG1 THR A 108 8.406 2.416 0.700 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.789 1.076 -0.682 1.00 0.00 C ATOM 0 H THR A 108 12.248 1.003 0.641 1.00 0.00 H new ATOM 0 HA THR A 108 10.682 3.108 2.005 1.00 0.00 H new ATOM 0 HB THR A 108 10.081 3.156 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.816 2.485 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.080 1.230 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.794 0.976 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.526 0.168 -0.138 1.00 0.00 H new ATOM 1398 N LEU A 109 9.167 1.379 3.182 1.00 0.00 N ATOM 1399 CA LEU A 109 8.475 0.453 4.088 1.00 0.00 C ATOM 1400 C LEU A 109 7.879 -0.752 3.333 1.00 0.00 C ATOM 1401 O LEU A 109 7.755 -1.839 3.902 1.00 0.00 O ATOM 1402 CB LEU A 109 7.396 1.268 4.831 1.00 0.00 C ATOM 1403 CG LEU A 109 6.632 0.504 5.936 1.00 0.00 C ATOM 1404 CD1 LEU A 109 6.281 1.450 7.087 1.00 0.00 C ATOM 1405 CD2 LEU A 109 5.310 -0.085 5.431 1.00 0.00 C ATOM 0 H LEU A 109 8.711 2.290 3.130 1.00 0.00 H new ATOM 0 HA LEU A 109 9.177 0.022 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.869 2.142 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.674 1.634 4.101 1.00 0.00 H new ATOM 0 HG LEU A 109 7.292 -0.301 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.743 0.900 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.196 1.865 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.653 2.259 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.812 -0.612 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.667 0.719 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.510 -0.782 4.617 1.00 0.00 H new ATOM 1417 N ALA A 110 7.527 -0.566 2.055 1.00 0.00 N ATOM 1418 CA ALA A 110 6.905 -1.588 1.214 1.00 0.00 C ATOM 1419 C ALA A 110 7.788 -2.845 1.050 1.00 0.00 C ATOM 1420 O ALA A 110 9.004 -2.751 0.852 1.00 0.00 O ATOM 1421 CB ALA A 110 6.563 -0.960 -0.142 1.00 0.00 C ATOM 0 H ALA A 110 7.671 0.319 1.569 1.00 0.00 H new ATOM 0 HA ALA A 110 5.995 -1.935 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.098 -1.709 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.873 -0.129 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.475 -0.595 -0.614 1.00 0.00 H new ATOM 1427 N THR A 111 7.167 -4.028 1.122 1.00 0.00 N ATOM 1428 CA THR A 111 7.844 -5.338 1.127 1.00 0.00 C ATOM 1429 C THR A 111 7.042 -6.444 0.431 1.00 0.00 C ATOM 1430 O THR A 111 5.819 -6.338 0.243 1.00 0.00 O ATOM 1431 CB THR A 111 8.180 -5.732 2.574 1.00 0.00 C ATOM 1432 OG1 THR A 111 9.025 -6.867 2.593 1.00 0.00 O ATOM 1433 CG2 THR A 111 6.965 -6.048 3.453 1.00 0.00 C ATOM 0 H THR A 111 6.152 -4.107 1.180 1.00 0.00 H new ATOM 0 HA THR A 111 8.760 -5.231 0.546 1.00 0.00 H new ATOM 0 HB THR A 111 8.666 -4.850 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.232 -7.105 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.301 -6.315 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.318 -5.172 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.411 -6.882 3.022 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.512 13.843 -12.430 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.679 14.282 -11.299 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.763 11.973 -11.337 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.627 15.662 -14.005 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.229 14.610 -12.545 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.474 13.615 -10.361 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.267 10.977 -10.490 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.719 11.617 -12.294 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.727 15.091 -14.662 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.018 16.752 -14.617 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.531 14.228 -12.866 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.774 13.235 -10.685 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.736 9.666 -10.578 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.236 10.327 -12.341 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.227 15.632 -15.841 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.494 17.296 -15.801 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.297 13.533 -11.936 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.732 9.341 -11.497 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.625 16.750 -16.402 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.899 13.022 -12.324 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.552 9.980 -13.409 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.185 17.330 -17.597 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.918 16.983 -15.807 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.230 18.466 -13.780 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.651 17.777 -18.540 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.082 20.280 -11.064 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.284 19.770 -10.761 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.953 21.489 -11.031 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.596 18.338 -10.771 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.233 17.858 -11.485 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.663 17.538 -11.699 1.00 0.00 C HETATM 1473 N3 48M A 200 0.629 15.678 -11.741 1.00 0.00 N HETATM 1474 C4 48M A 200 0.059 19.324 -11.409 1.00 0.00 C HETATM 1475 C5 48M A 200 0.764 16.948 -11.290 1.00 0.00 C HETATM 1476 O5 48M A 200 1.759 17.275 -10.672 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.231 15.062 -12.690 1.00 0.00 C HETATM 1478 O6 48M A 200 1.196 17.243 -14.085 1.00 0.00 O HETATM 1479 C7 48M A 200 0.215 13.401 -11.219 1.00 0.00 C HETATM 1480 C8 48M A 200 1.215 14.576 -10.958 1.00 0.00 C HETATM 1481 C9 48M A 200 2.228 17.945 -14.819 1.00 0.00 C