USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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= -0.0546 K(o=0.11,f=-0.43) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.164 USER MOD Set 2.1: A 73 MET CE :methyl -152:sc= -0.0156 (180deg=-0.307) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot 150:sc= 0.749 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 158:sc= 1.73 (180deg=0.76) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 170:sc= 0.612 (180deg=0) USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.415 K(o=0.2,f=-3.2) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.667 K(o=0.67,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.945 (180deg=0.9) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -170:sc= -0.185 (180deg=-0.51) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 160:sc= -1.23 (180deg=-2.93) 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 USER MOD Single : A 58 GLN : amide:sc= -0.796 K(o=-0.8,f=-0.01) USER MOD Single : A 61 MET CE :methyl -177:sc= -1.71 (180deg=-1.79) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.487 K(o=0.49,f=-0.016) USER MOD Single : A 71 GLN : amide:sc= 0.911 K(o=0.91,f=-0.31) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 88 GLN : amide:sc= 0.0589 X(o=0.059,f=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0.727) USER MOD Single : A 96 SER OG : rot 110:sc= 1.26 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 147:sc= -0.158 (180deg=-0.204) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.993) USER MOD Single : A 105 ASN : amide:sc= 0.742 K(o=0.74,f=-3.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 4.420 13.518 12.985 1.00 0.00 N ATOM 2 CA GLN A 23 3.768 13.510 11.667 1.00 0.00 C ATOM 3 C GLN A 23 4.696 13.069 10.517 1.00 0.00 C ATOM 4 O GLN A 23 4.359 13.179 9.335 1.00 0.00 O ATOM 5 CB GLN A 23 3.152 14.891 11.380 1.00 0.00 C ATOM 6 CG GLN A 23 2.059 15.284 12.389 1.00 0.00 C ATOM 7 CD GLN A 23 1.377 16.597 12.006 1.00 0.00 C ATOM 8 OE1 GLN A 23 0.302 16.625 11.415 1.00 0.00 O ATOM 9 NE2 GLN A 23 1.967 17.736 12.310 1.00 0.00 N ATOM 0 HA GLN A 23 2.981 12.757 11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.940 15.644 11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.729 14.892 10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.314 14.490 12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.498 15.379 13.382 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.861 17.732 12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.530 18.621 12.054 1.00 0.00 H new ATOM 18 N ILE A 24 5.877 12.575 10.877 1.00 0.00 N ATOM 19 CA ILE A 24 6.990 12.232 9.978 1.00 0.00 C ATOM 20 C ILE A 24 7.199 10.714 9.972 1.00 0.00 C ATOM 21 O ILE A 24 7.137 10.057 11.015 1.00 0.00 O ATOM 22 CB ILE A 24 8.255 13.034 10.367 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.006 14.545 10.123 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.500 12.572 9.581 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.939 15.464 10.915 1.00 0.00 C ATOM 0 H ILE A 24 6.102 12.391 11.855 1.00 0.00 H new ATOM 0 HA ILE A 24 6.754 12.518 8.953 1.00 0.00 H new ATOM 0 HB ILE A 24 8.452 12.854 11.424 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.122 14.755 9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.974 14.780 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.363 13.163 9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.690 11.519 9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.327 12.708 8.513 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.702 16.504 10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.807 15.284 11.982 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.973 15.259 10.638 1.00 0.00 H new ATOM 37 N ASN A 25 7.437 10.162 8.779 1.00 0.00 N ATOM 38 CA ASN A 25 7.575 8.726 8.532 1.00 0.00 C ATOM 39 C ASN A 25 8.940 8.381 7.911 1.00 0.00 C ATOM 40 O ASN A 25 9.669 9.250 7.427 1.00 0.00 O ATOM 41 CB ASN A 25 6.406 8.251 7.655 1.00 0.00 C ATOM 42 CG ASN A 25 5.086 8.203 8.415 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.677 7.167 8.922 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.385 9.310 8.537 1.00 0.00 N ATOM 0 H ASN A 25 7.542 10.721 7.932 1.00 0.00 H new ATOM 0 HA ASN A 25 7.537 8.197 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.304 8.918 6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.631 7.260 7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.505 9.302 9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.722 10.176 8.116 1.00 0.00 H new ATOM 51 N GLN A 26 9.290 7.093 7.931 1.00 0.00 N ATOM 52 CA GLN A 26 10.610 6.607 7.580 1.00 0.00 C ATOM 53 C GLN A 26 10.848 6.562 6.069 1.00 0.00 C ATOM 54 O GLN A 26 10.054 6.038 5.288 1.00 0.00 O ATOM 55 CB GLN A 26 10.824 5.225 8.229 1.00 0.00 C ATOM 56 CG GLN A 26 9.821 4.143 7.762 1.00 0.00 C ATOM 57 CD GLN A 26 10.483 3.040 6.935 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.871 1.991 7.436 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.649 3.236 5.644 1.00 0.00 N ATOM 0 H GLN A 26 8.644 6.350 8.198 1.00 0.00 H new ATOM 0 HA GLN A 26 11.346 7.312 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.836 4.885 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.751 5.329 9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.341 3.699 8.634 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.036 4.613 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.330 4.105 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.096 2.519 5.073 1.00 0.00 H new ATOM 68 N VAL A 27 12.019 7.045 5.685 1.00 0.00 N ATOM 69 CA VAL A 27 12.573 7.023 4.314 1.00 0.00 C ATOM 70 C VAL A 27 14.086 7.291 4.320 1.00 0.00 C ATOM 71 O VAL A 27 14.646 7.693 5.339 1.00 0.00 O ATOM 72 CB VAL A 27 11.842 8.085 3.456 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.184 9.491 3.937 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.102 8.001 1.943 1.00 0.00 C ATOM 0 H VAL A 27 12.654 7.490 6.348 1.00 0.00 H new ATOM 0 HA VAL A 27 12.417 6.032 3.887 1.00 0.00 H new ATOM 0 HB VAL A 27 10.784 7.863 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.661 10.223 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.877 9.605 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.259 9.652 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.545 8.787 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.167 8.128 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.779 7.028 1.572 1.00 0.00 H new ATOM 84 N ARG A 28 14.738 7.118 3.164 1.00 0.00 N ATOM 85 CA ARG A 28 16.115 7.563 2.901 1.00 0.00 C ATOM 86 C ARG A 28 16.296 7.752 1.375 1.00 0.00 C ATOM 87 O ARG A 28 16.231 6.758 0.652 1.00 0.00 O ATOM 88 CB ARG A 28 17.088 6.525 3.511 1.00 0.00 C ATOM 89 CG ARG A 28 18.588 6.710 3.221 1.00 0.00 C ATOM 90 CD ARG A 28 19.130 8.146 3.204 1.00 0.00 C ATOM 91 NE ARG A 28 18.816 8.939 4.413 1.00 0.00 N ATOM 92 CZ ARG A 28 19.320 10.134 4.675 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.065 10.765 3.816 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.084 10.732 5.805 1.00 0.00 N ATOM 0 H ARG A 28 14.312 6.652 2.363 1.00 0.00 H new ATOM 0 HA ARG A 28 16.330 8.524 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.950 6.528 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.795 5.537 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.148 6.147 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.803 6.257 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.212 8.110 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.727 8.662 2.333 1.00 0.00 H new ATOM 0 HE ARG A 28 18.167 8.537 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.274 10.340 2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.440 11.685 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.501 10.280 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.482 11.653 5.987 1.00 0.00 H new ATOM 108 N PRO A 29 16.452 8.995 0.874 1.00 0.00 N ATOM 109 CA PRO A 29 16.662 9.311 -0.549 1.00 0.00 C ATOM 110 C PRO A 29 18.152 9.238 -0.954 1.00 0.00 C ATOM 111 O PRO A 29 19.019 8.971 -0.122 1.00 0.00 O ATOM 112 CB PRO A 29 16.083 10.727 -0.699 1.00 0.00 C ATOM 113 CG PRO A 29 16.479 11.372 0.626 1.00 0.00 C ATOM 114 CD PRO A 29 16.288 10.237 1.625 1.00 0.00 C ATOM 0 HA PRO A 29 16.177 8.592 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.509 11.254 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.002 10.713 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.509 11.728 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.849 12.229 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.018 10.302 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.301 10.286 2.084 1.00 0.00 H new ATOM 122 N LYS A 30 18.455 9.536 -2.229 1.00 0.00 N ATOM 123 CA LYS A 30 19.830 9.697 -2.754 1.00 0.00 C ATOM 124 C LYS A 30 20.084 11.148 -3.175 1.00 0.00 C ATOM 125 O LYS A 30 19.164 11.809 -3.649 1.00 0.00 O ATOM 126 CB LYS A 30 20.073 8.660 -3.866 1.00 0.00 C ATOM 127 CG LYS A 30 21.544 8.209 -3.903 1.00 0.00 C ATOM 128 CD LYS A 30 21.810 6.984 -4.789 1.00 0.00 C ATOM 129 CE LYS A 30 21.698 7.327 -6.279 1.00 0.00 C ATOM 130 NZ LYS A 30 21.948 6.129 -7.132 1.00 0.00 N ATOM 0 H LYS A 30 17.739 9.675 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 30 20.565 9.497 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.430 7.795 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.798 9.087 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.157 9.038 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.868 7.984 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.805 6.593 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.099 6.195 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.705 7.725 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.414 8.110 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.017 6.420 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.838 5.676 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.164 5.455 -7.022 1.00 0.00 H new ATOM 144 N LEU A 31 21.312 11.649 -3.029 1.00 0.00 N ATOM 145 CA LEU A 31 21.654 13.078 -3.173 1.00 0.00 C ATOM 146 C LEU A 31 21.176 13.765 -4.475 1.00 0.00 C ATOM 147 O LEU A 31 20.495 14.786 -4.365 1.00 0.00 O ATOM 148 CB LEU A 31 23.165 13.259 -2.910 1.00 0.00 C ATOM 149 CG LEU A 31 23.666 14.719 -2.937 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.994 15.592 -1.874 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.174 14.747 -2.690 1.00 0.00 C ATOM 0 H LEU A 31 22.118 11.066 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 31 21.078 13.613 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.403 12.828 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.718 12.688 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 31 23.415 15.120 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.384 16.608 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.917 15.605 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.202 15.185 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.527 15.778 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.391 14.307 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.681 14.176 -3.468 1.00 0.00 H new ATOM 163 N PRO A 32 21.425 13.234 -5.691 1.00 0.00 N ATOM 164 CA PRO A 32 20.983 13.885 -6.933 1.00 0.00 C ATOM 165 C PRO A 32 19.456 13.889 -7.145 1.00 0.00 C ATOM 166 O PRO A 32 18.975 14.565 -8.052 1.00 0.00 O ATOM 167 CB PRO A 32 21.727 13.155 -8.057 1.00 0.00 C ATOM 168 CG PRO A 32 21.956 11.761 -7.477 1.00 0.00 C ATOM 169 CD PRO A 32 22.232 12.061 -6.009 1.00 0.00 C ATOM 0 HA PRO A 32 21.220 14.948 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.137 13.118 -8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.667 13.648 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.084 11.120 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.796 11.255 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.960 11.215 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.291 12.256 -5.841 1.00 0.00 H new ATOM 177 N LEU A 33 18.690 13.178 -6.303 1.00 0.00 N ATOM 178 CA LEU A 33 17.222 13.194 -6.265 1.00 0.00 C ATOM 179 C LEU A 33 16.717 14.065 -5.101 1.00 0.00 C ATOM 180 O LEU A 33 15.868 14.924 -5.306 1.00 0.00 O ATOM 181 CB LEU A 33 16.729 11.729 -6.263 1.00 0.00 C ATOM 182 CG LEU A 33 15.218 11.472 -6.452 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.449 11.648 -5.146 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.564 12.373 -7.500 1.00 0.00 C ATOM 0 H LEU A 33 19.093 12.553 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 33 16.796 13.668 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.259 11.197 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.029 11.277 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 33 15.163 10.440 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.390 11.459 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.827 10.945 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.581 12.666 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.503 12.133 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.680 13.416 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.042 12.213 -8.467 1.00 0.00 H new ATOM 196 N LEU A 34 17.299 13.940 -3.903 1.00 0.00 N ATOM 197 CA LEU A 34 17.091 14.841 -2.752 1.00 0.00 C ATOM 198 C LEU A 34 17.186 16.319 -3.142 1.00 0.00 C ATOM 199 O LEU A 34 16.340 17.108 -2.730 1.00 0.00 O ATOM 200 CB LEU A 34 18.169 14.488 -1.724 1.00 0.00 C ATOM 201 CG LEU A 34 18.221 15.293 -0.409 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.266 14.546 0.435 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.803 16.699 -0.511 1.00 0.00 C ATOM 0 H LEU A 34 17.952 13.184 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 34 16.087 14.704 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.049 13.436 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.138 14.587 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 34 17.199 15.378 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.378 15.043 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.939 13.518 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.223 14.546 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.790 17.170 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.830 16.642 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.206 17.290 -1.205 1.00 0.00 H new ATOM 215 N LYS A 35 18.172 16.714 -3.959 1.00 0.00 N ATOM 216 CA LYS A 35 18.290 18.112 -4.402 1.00 0.00 C ATOM 217 C LYS A 35 17.138 18.556 -5.311 1.00 0.00 C ATOM 218 O LYS A 35 16.753 19.718 -5.229 1.00 0.00 O ATOM 219 CB LYS A 35 19.674 18.384 -5.016 1.00 0.00 C ATOM 220 CG LYS A 35 20.872 18.272 -4.058 1.00 0.00 C ATOM 221 CD LYS A 35 20.714 19.000 -2.713 1.00 0.00 C ATOM 222 CE LYS A 35 20.335 20.481 -2.808 1.00 0.00 C ATOM 223 NZ LYS A 35 20.291 21.127 -1.463 1.00 0.00 N ATOM 0 H LYS A 35 18.894 16.093 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 35 18.202 18.735 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.827 17.687 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.669 19.387 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.059 17.217 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.756 18.664 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.953 18.485 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.651 18.917 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.056 21.001 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.362 20.578 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.200 22.157 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.476 20.763 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.167 20.912 -0.946 1.00 0.00 H new ATOM 237 N ILE A 36 16.517 17.649 -6.076 1.00 0.00 N ATOM 238 CA ILE A 36 15.252 17.931 -6.789 1.00 0.00 C ATOM 239 C ILE A 36 14.167 18.238 -5.753 1.00 0.00 C ATOM 240 O ILE A 36 13.404 19.185 -5.908 1.00 0.00 O ATOM 241 CB ILE A 36 14.789 16.754 -7.676 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.900 16.223 -8.595 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.564 17.148 -8.517 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.644 17.269 -9.427 1.00 0.00 C ATOM 0 H ILE A 36 16.870 16.703 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 36 15.425 18.781 -7.449 1.00 0.00 H new ATOM 0 HB ILE A 36 14.519 15.949 -6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.628 15.692 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.462 15.492 -9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.258 16.302 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.745 17.431 -7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.820 17.991 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.403 16.777 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.938 17.787 -10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.122 17.990 -8.763 1.00 0.00 H new ATOM 256 N LEU A 37 14.145 17.465 -4.662 1.00 0.00 N ATOM 257 CA LEU A 37 13.150 17.567 -3.597 1.00 0.00 C ATOM 258 C LEU A 37 13.249 18.885 -2.820 1.00 0.00 C ATOM 259 O LEU A 37 12.257 19.605 -2.707 1.00 0.00 O ATOM 260 CB LEU A 37 13.135 16.279 -2.755 1.00 0.00 C ATOM 261 CG LEU A 37 12.799 15.032 -3.603 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.905 13.766 -2.768 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.382 15.070 -4.161 1.00 0.00 C ATOM 0 H LEU A 37 14.837 16.734 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 37 12.155 17.631 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.108 16.144 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.403 16.379 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 37 13.518 15.033 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.664 12.901 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.921 13.667 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.206 13.821 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.198 14.171 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.668 15.118 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.264 15.948 -4.796 1.00 0.00 H new ATOM 275 N HIS A 38 14.452 19.277 -2.392 1.00 0.00 N ATOM 276 CA HIS A 38 14.698 20.609 -1.814 1.00 0.00 C ATOM 277 C HIS A 38 14.334 21.730 -2.810 1.00 0.00 C ATOM 278 O HIS A 38 13.595 22.650 -2.463 1.00 0.00 O ATOM 279 CB HIS A 38 16.182 20.756 -1.443 1.00 0.00 C ATOM 280 CG HIS A 38 16.649 20.001 -0.224 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.897 20.182 0.377 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.948 19.064 0.479 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.911 19.363 1.444 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.761 18.669 1.520 1.00 0.00 N ATOM 0 H HIS A 38 15.282 18.686 -2.434 1.00 0.00 H new ATOM 0 HA HIS A 38 14.071 20.701 -0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.780 20.432 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.392 21.815 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.953 18.703 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.731 19.275 2.142 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.530 17.970 2.227 1.00 0.00 H new ATOM 292 N ALA A 39 14.808 21.649 -4.063 1.00 0.00 N ATOM 293 CA ALA A 39 14.593 22.689 -5.080 1.00 0.00 C ATOM 294 C ALA A 39 13.112 22.855 -5.483 1.00 0.00 C ATOM 295 O ALA A 39 12.670 23.968 -5.776 1.00 0.00 O ATOM 296 CB ALA A 39 15.468 22.374 -6.297 1.00 0.00 C ATOM 0 H ALA A 39 15.354 20.856 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 39 14.881 23.647 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.319 23.138 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.516 22.360 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.193 21.399 -6.700 1.00 0.00 H new ATOM 302 N ALA A 40 12.327 21.773 -5.432 1.00 0.00 N ATOM 303 CA ALA A 40 10.868 21.799 -5.593 1.00 0.00 C ATOM 304 C ALA A 40 10.114 22.524 -4.454 1.00 0.00 C ATOM 305 O ALA A 40 8.923 22.808 -4.597 1.00 0.00 O ATOM 306 CB ALA A 40 10.373 20.356 -5.713 1.00 0.00 C ATOM 0 H ALA A 40 12.696 20.835 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 40 10.654 22.376 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.290 20.352 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.836 19.883 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.640 19.804 -4.812 1.00 0.00 H new ATOM 312 N GLY A 41 10.787 22.816 -3.333 1.00 0.00 N ATOM 313 CA GLY A 41 10.247 23.559 -2.188 1.00 0.00 C ATOM 314 C GLY A 41 10.501 22.912 -0.819 1.00 0.00 C ATOM 315 O GLY A 41 10.144 23.511 0.199 1.00 0.00 O ATOM 0 H GLY A 41 11.757 22.531 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.679 24.560 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.172 23.676 -2.324 1.00 0.00 H new ATOM 319 N ALA A 42 11.098 21.713 -0.765 1.00 0.00 N ATOM 320 CA ALA A 42 11.380 21.017 0.489 1.00 0.00 C ATOM 321 C ALA A 42 12.656 21.522 1.207 1.00 0.00 C ATOM 322 O ALA A 42 13.332 22.469 0.801 1.00 0.00 O ATOM 323 CB ALA A 42 11.406 19.500 0.232 1.00 0.00 C ATOM 0 H ALA A 42 11.398 21.201 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 42 10.574 21.245 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.616 18.977 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.438 19.180 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.182 19.268 -0.497 1.00 0.00 H new ATOM 329 N GLN A 43 12.955 20.831 2.303 1.00 0.00 N ATOM 330 CA GLN A 43 14.056 20.996 3.261 1.00 0.00 C ATOM 331 C GLN A 43 13.977 19.822 4.261 1.00 0.00 C ATOM 332 O GLN A 43 12.888 19.496 4.740 1.00 0.00 O ATOM 333 CB GLN A 43 13.915 22.342 4.005 1.00 0.00 C ATOM 334 CG GLN A 43 15.081 22.620 4.969 1.00 0.00 C ATOM 335 CD GLN A 43 14.976 24.011 5.597 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.625 24.964 5.181 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.155 24.193 6.612 1.00 0.00 N ATOM 0 H GLN A 43 12.363 20.047 2.578 1.00 0.00 H new ATOM 0 HA GLN A 43 15.017 20.997 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.853 23.150 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.979 22.346 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.091 21.865 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.026 22.533 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.607 23.411 6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.068 25.116 7.038 1.00 0.00 H new ATOM 346 N GLY A 44 15.109 19.187 4.583 1.00 0.00 N ATOM 347 CA GLY A 44 15.161 17.976 5.418 1.00 0.00 C ATOM 348 C GLY A 44 14.764 16.714 4.642 1.00 0.00 C ATOM 349 O GLY A 44 13.598 16.489 4.328 1.00 0.00 O ATOM 0 H GLY A 44 16.027 19.501 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.169 17.854 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.496 18.098 6.273 1.00 0.00 H new ATOM 353 N GLU A 45 15.756 15.879 4.326 1.00 0.00 N ATOM 354 CA GLU A 45 15.705 14.706 3.438 1.00 0.00 C ATOM 355 C GLU A 45 14.953 13.463 3.959 1.00 0.00 C ATOM 356 O GLU A 45 15.376 12.330 3.732 1.00 0.00 O ATOM 357 CB GLU A 45 17.146 14.424 2.994 1.00 0.00 C ATOM 358 CG GLU A 45 18.011 13.872 4.145 1.00 0.00 C ATOM 359 CD GLU A 45 19.476 14.348 4.107 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.725 15.576 4.192 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.389 13.487 4.068 1.00 0.00 O ATOM 0 H GLU A 45 16.691 16.012 4.712 1.00 0.00 H new ATOM 0 HA GLU A 45 15.070 14.957 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.138 13.708 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.594 15.342 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.567 14.169 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.992 12.783 4.111 1.00 0.00 H new ATOM 368 N MET A 46 13.827 13.658 4.648 1.00 0.00 N ATOM 369 CA MET A 46 13.039 12.583 5.276 1.00 0.00 C ATOM 370 C MET A 46 11.582 12.525 4.740 1.00 0.00 C ATOM 371 O MET A 46 10.641 12.183 5.457 1.00 0.00 O ATOM 372 CB MET A 46 13.107 12.741 6.810 1.00 0.00 C ATOM 373 CG MET A 46 12.832 11.438 7.576 1.00 0.00 C ATOM 374 SD MET A 46 14.290 10.575 8.239 1.00 0.00 S ATOM 375 CE MET A 46 15.369 10.489 6.782 1.00 0.00 C ATOM 0 H MET A 46 13.425 14.584 4.791 1.00 0.00 H new ATOM 0 HA MET A 46 13.474 11.621 5.006 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.094 13.113 7.085 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.384 13.495 7.121 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.160 11.663 8.405 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.302 10.755 6.912 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.215 9.834 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.807 10.094 5.936 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.734 11.487 6.540 1.00 0.00 H new ATOM 385 N PHE A 47 11.386 12.879 3.467 1.00 0.00 N ATOM 386 CA PHE A 47 10.096 12.878 2.745 1.00 0.00 C ATOM 387 C PHE A 47 9.755 11.501 2.131 1.00 0.00 C ATOM 388 O PHE A 47 10.522 10.971 1.330 1.00 0.00 O ATOM 389 CB PHE A 47 10.091 14.002 1.682 1.00 0.00 C ATOM 390 CG PHE A 47 11.445 14.555 1.258 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.416 13.711 0.685 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.750 15.912 1.468 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.671 14.223 0.318 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.002 16.425 1.086 1.00 0.00 C ATOM 395 CZ PHE A 47 13.956 15.588 0.488 1.00 0.00 C ATOM 0 H PHE A 47 12.157 13.191 2.876 1.00 0.00 H new ATOM 0 HA PHE A 47 9.307 13.077 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.585 13.626 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.492 14.828 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.194 12.666 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.019 16.563 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.420 13.565 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.230 17.467 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.903 15.990 0.161 1.00 0.00 H new ATOM 405 N THR A 48 8.608 10.912 2.490 1.00 0.00 N ATOM 406 CA THR A 48 8.133 9.579 2.026 1.00 0.00 C ATOM 407 C THR A 48 7.606 9.619 0.584 1.00 0.00 C ATOM 408 O THR A 48 7.472 10.696 0.017 1.00 0.00 O ATOM 409 CB THR A 48 7.061 9.016 2.987 1.00 0.00 C ATOM 410 OG1 THR A 48 6.265 10.061 3.508 1.00 0.00 O ATOM 411 CG2 THR A 48 7.699 8.263 4.160 1.00 0.00 C ATOM 0 H THR A 48 7.954 11.356 3.134 1.00 0.00 H new ATOM 0 HA THR A 48 8.994 8.911 2.033 1.00 0.00 H new ATOM 0 HB THR A 48 6.445 8.326 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.590 9.688 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.917 7.881 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.292 7.431 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.343 8.941 4.720 1.00 0.00 H new ATOM 419 N VAL A 49 7.278 8.480 -0.053 1.00 0.00 N ATOM 420 CA VAL A 49 6.950 8.446 -1.506 1.00 0.00 C ATOM 421 C VAL A 49 5.791 9.369 -1.898 1.00 0.00 C ATOM 422 O VAL A 49 5.847 10.014 -2.940 1.00 0.00 O ATOM 423 CB VAL A 49 6.724 7.006 -2.006 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.480 6.320 -1.431 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.689 6.908 -3.534 1.00 0.00 C ATOM 0 H VAL A 49 7.231 7.570 0.406 1.00 0.00 H new ATOM 0 HA VAL A 49 7.828 8.844 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 49 7.595 6.471 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.400 5.312 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.562 6.268 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.592 6.891 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.527 5.871 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.878 7.526 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.637 7.257 -3.943 1.00 0.00 H new ATOM 435 N LYS A 50 4.793 9.520 -1.021 1.00 0.00 N ATOM 436 CA LYS A 50 3.687 10.476 -1.193 1.00 0.00 C ATOM 437 C LYS A 50 4.189 11.926 -1.291 1.00 0.00 C ATOM 438 O LYS A 50 3.750 12.681 -2.158 1.00 0.00 O ATOM 439 CB LYS A 50 2.689 10.331 -0.031 1.00 0.00 C ATOM 440 CG LYS A 50 1.844 9.040 -0.058 1.00 0.00 C ATOM 441 CD LYS A 50 2.395 7.853 0.757 1.00 0.00 C ATOM 442 CE LYS A 50 2.507 8.097 2.276 1.00 0.00 C ATOM 443 NZ LYS A 50 1.175 8.247 2.933 1.00 0.00 N ATOM 0 H LYS A 50 4.727 8.977 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 50 3.188 10.244 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.240 10.368 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.016 11.189 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.846 9.275 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.734 8.723 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.752 6.989 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.382 7.595 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.043 7.266 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.099 8.995 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.307 8.409 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.671 9.056 2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.618 7.381 2.789 1.00 0.00 H new ATOM 457 N GLU A 51 5.160 12.286 -0.452 1.00 0.00 N ATOM 458 CA GLU A 51 5.824 13.598 -0.462 1.00 0.00 C ATOM 459 C GLU A 51 6.753 13.747 -1.678 1.00 0.00 C ATOM 460 O GLU A 51 6.671 14.741 -2.394 1.00 0.00 O ATOM 461 CB GLU A 51 6.596 13.801 0.855 1.00 0.00 C ATOM 462 CG GLU A 51 5.728 13.756 2.120 1.00 0.00 C ATOM 463 CD GLU A 51 4.669 14.877 2.141 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.000 16.022 2.534 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.496 14.621 1.776 1.00 0.00 O ATOM 0 H GLU A 51 5.518 11.662 0.272 1.00 0.00 H new ATOM 0 HA GLU A 51 5.061 14.372 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.366 13.033 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.108 14.763 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.231 12.788 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.366 13.845 2.999 1.00 0.00 H new ATOM 472 N VAL A 52 7.581 12.735 -1.969 1.00 0.00 N ATOM 473 CA VAL A 52 8.480 12.687 -3.142 1.00 0.00 C ATOM 474 C VAL A 52 7.706 12.936 -4.438 1.00 0.00 C ATOM 475 O VAL A 52 8.089 13.796 -5.227 1.00 0.00 O ATOM 476 CB VAL A 52 9.217 11.331 -3.215 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.047 11.133 -4.490 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.162 11.157 -2.021 1.00 0.00 C ATOM 0 H VAL A 52 7.650 11.903 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 52 9.219 13.479 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 52 8.420 10.587 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.531 10.157 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.394 11.189 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.806 11.913 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.669 10.195 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.901 11.958 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.589 11.194 -1.095 1.00 0.00 H new ATOM 488 N MET A 53 6.589 12.233 -4.642 1.00 0.00 N ATOM 489 CA MET A 53 5.757 12.387 -5.836 1.00 0.00 C ATOM 490 C MET A 53 5.115 13.774 -5.914 1.00 0.00 C ATOM 491 O MET A 53 5.177 14.409 -6.964 1.00 0.00 O ATOM 492 CB MET A 53 4.704 11.271 -5.884 1.00 0.00 C ATOM 493 CG MET A 53 5.335 9.905 -6.184 1.00 0.00 C ATOM 494 SD MET A 53 6.376 9.790 -7.673 1.00 0.00 S ATOM 495 CE MET A 53 5.160 10.176 -8.958 1.00 0.00 C ATOM 0 H MET A 53 6.236 11.540 -3.982 1.00 0.00 H new ATOM 0 HA MET A 53 6.399 12.298 -6.713 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.178 11.227 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.962 11.504 -6.647 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.939 9.614 -5.324 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.533 9.173 -6.273 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.676 10.495 -9.864 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.564 9.289 -9.173 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.507 10.977 -8.612 1.00 0.00 H new ATOM 505 N HIS A 54 4.587 14.294 -4.803 1.00 0.00 N ATOM 506 CA HIS A 54 4.072 15.672 -4.730 1.00 0.00 C ATOM 507 C HIS A 54 5.133 16.707 -5.135 1.00 0.00 C ATOM 508 O HIS A 54 4.875 17.591 -5.954 1.00 0.00 O ATOM 509 CB HIS A 54 3.557 15.949 -3.311 1.00 0.00 C ATOM 510 CG HIS A 54 2.945 17.319 -3.137 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.989 17.900 -3.977 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.232 18.191 -2.127 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.724 19.109 -3.453 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.455 19.309 -2.342 1.00 0.00 N ATOM 0 H HIS A 54 4.503 13.776 -3.928 1.00 0.00 H new ATOM 0 HA HIS A 54 3.252 15.767 -5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.814 15.195 -3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.383 15.839 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.931 18.036 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.023 19.819 -3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.437 20.145 -1.758 1.00 0.00 H new ATOM 522 N TYR A 55 6.359 16.581 -4.627 1.00 0.00 N ATOM 523 CA TYR A 55 7.479 17.440 -5.028 1.00 0.00 C ATOM 524 C TYR A 55 7.890 17.254 -6.498 1.00 0.00 C ATOM 525 O TYR A 55 8.147 18.254 -7.164 1.00 0.00 O ATOM 526 CB TYR A 55 8.647 17.263 -4.051 1.00 0.00 C ATOM 527 CG TYR A 55 8.423 17.915 -2.694 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.199 19.306 -2.604 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.424 17.135 -1.520 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.935 19.905 -1.357 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.161 17.728 -0.271 1.00 0.00 C ATOM 532 CZ TYR A 55 7.908 19.115 -0.185 1.00 0.00 C ATOM 533 OH TYR A 55 7.657 19.683 1.028 1.00 0.00 O ATOM 0 H TYR A 55 6.606 15.882 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 55 7.144 18.476 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.827 16.198 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.549 17.681 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.230 19.914 -3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.628 16.076 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.753 20.968 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.153 17.122 0.623 1.00 0.00 H new ATOM 0 HH TYR A 55 7.676 18.992 1.723 1.00 0.00 H new ATOM 543 N LEU A 56 7.862 16.037 -7.053 1.00 0.00 N ATOM 544 CA LEU A 56 8.152 15.796 -8.476 1.00 0.00 C ATOM 545 C LEU A 56 7.110 16.454 -9.389 1.00 0.00 C ATOM 546 O LEU A 56 7.488 17.122 -10.347 1.00 0.00 O ATOM 547 CB LEU A 56 8.275 14.284 -8.780 1.00 0.00 C ATOM 548 CG LEU A 56 9.731 13.803 -8.899 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.484 13.883 -7.575 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.762 12.352 -9.377 1.00 0.00 C ATOM 0 H LEU A 56 7.638 15.190 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 56 9.115 16.261 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.777 13.720 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.750 14.064 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 56 10.220 14.464 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.506 13.532 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.500 14.916 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.985 13.259 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.796 12.018 -9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.233 11.722 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.279 12.280 -10.351 1.00 0.00 H new ATOM 562 N GLY A 57 5.817 16.328 -9.075 1.00 0.00 N ATOM 563 CA GLY A 57 4.742 16.953 -9.853 1.00 0.00 C ATOM 564 C GLY A 57 4.883 18.477 -9.900 1.00 0.00 C ATOM 565 O GLY A 57 4.880 19.078 -10.976 1.00 0.00 O ATOM 0 H GLY A 57 5.486 15.790 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.751 16.556 -10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.778 16.691 -9.416 1.00 0.00 H new ATOM 569 N GLN A 58 5.136 19.096 -8.739 1.00 0.00 N ATOM 570 CA GLN A 58 5.392 20.544 -8.647 1.00 0.00 C ATOM 571 C GLN A 58 6.617 20.940 -9.456 1.00 0.00 C ATOM 572 O GLN A 58 6.552 21.864 -10.254 1.00 0.00 O ATOM 573 CB GLN A 58 5.623 20.968 -7.191 1.00 0.00 C ATOM 574 CG GLN A 58 4.347 20.828 -6.369 1.00 0.00 C ATOM 575 CD GLN A 58 4.636 20.991 -4.882 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.374 22.014 -4.263 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.221 19.982 -4.276 1.00 0.00 N ATOM 0 H GLN A 58 5.169 18.613 -7.841 1.00 0.00 H new ATOM 0 HA GLN A 58 4.511 21.046 -9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.411 20.356 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.967 22.002 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.621 21.577 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.898 19.852 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.438 19.131 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.458 20.050 -3.286 1.00 0.00 H new ATOM 586 N TYR A 59 7.716 20.214 -9.283 1.00 0.00 N ATOM 587 CA TYR A 59 8.980 20.474 -9.986 1.00 0.00 C ATOM 588 C TYR A 59 8.833 20.411 -11.517 1.00 0.00 C ATOM 589 O TYR A 59 9.302 21.302 -12.228 1.00 0.00 O ATOM 590 CB TYR A 59 10.027 19.480 -9.489 1.00 0.00 C ATOM 591 CG TYR A 59 11.445 19.796 -9.928 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.247 20.643 -9.139 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.964 19.252 -11.121 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.573 20.925 -9.518 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.287 19.543 -11.509 1.00 0.00 C ATOM 596 CZ TYR A 59 14.100 20.365 -10.700 1.00 0.00 C ATOM 597 OH TYR A 59 15.388 20.621 -11.061 1.00 0.00 O ATOM 0 H TYR A 59 7.761 19.419 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 59 9.296 21.493 -9.762 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.994 19.450 -8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.763 18.484 -9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.842 21.079 -8.238 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.348 18.613 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.186 21.569 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.680 19.136 -12.429 1.00 0.00 H new ATOM 0 HH TYR A 59 15.744 19.859 -11.564 1.00 0.00 H new ATOM 607 N ILE A 60 8.109 19.407 -12.022 1.00 0.00 N ATOM 608 CA ILE A 60 7.784 19.233 -13.446 1.00 0.00 C ATOM 609 C ILE A 60 6.935 20.417 -13.944 1.00 0.00 C ATOM 610 O ILE A 60 7.285 21.032 -14.956 1.00 0.00 O ATOM 611 CB ILE A 60 7.152 17.829 -13.649 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.238 16.742 -13.435 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.514 17.605 -15.032 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.677 15.322 -13.285 1.00 0.00 C ATOM 0 H ILE A 60 7.720 18.669 -11.435 1.00 0.00 H new ATOM 0 HA ILE A 60 8.678 19.253 -14.069 1.00 0.00 H new ATOM 0 HB ILE A 60 6.347 17.762 -12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.929 16.762 -14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.815 16.990 -12.544 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.099 16.598 -15.082 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.719 18.334 -15.188 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.272 17.724 -15.806 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.498 14.620 -13.139 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.009 15.284 -12.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.125 15.052 -14.185 1.00 0.00 H new ATOM 626 N MET A 61 5.900 20.830 -13.203 1.00 0.00 N ATOM 627 CA MET A 61 5.119 22.040 -13.521 1.00 0.00 C ATOM 628 C MET A 61 5.935 23.345 -13.411 1.00 0.00 C ATOM 629 O MET A 61 5.714 24.260 -14.204 1.00 0.00 O ATOM 630 CB MET A 61 3.867 22.119 -12.628 1.00 0.00 C ATOM 631 CG MET A 61 2.635 21.404 -13.205 1.00 0.00 C ATOM 632 SD MET A 61 2.714 19.598 -13.365 1.00 0.00 S ATOM 633 CE MET A 61 3.265 19.421 -15.080 1.00 0.00 C ATOM 0 H MET A 61 5.578 20.340 -12.368 1.00 0.00 H new ATOM 0 HA MET A 61 4.823 21.948 -14.566 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.101 21.687 -11.655 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.619 23.167 -12.461 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.779 21.649 -12.577 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.436 21.821 -14.192 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.308 18.364 -15.341 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.564 19.930 -15.742 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.255 19.863 -15.191 1.00 0.00 H new ATOM 643 N VAL A 62 6.894 23.444 -12.482 1.00 0.00 N ATOM 644 CA VAL A 62 7.711 24.641 -12.231 1.00 0.00 C ATOM 645 C VAL A 62 8.732 24.880 -13.343 1.00 0.00 C ATOM 646 O VAL A 62 8.831 25.998 -13.855 1.00 0.00 O ATOM 647 CB VAL A 62 8.360 24.504 -10.837 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.654 25.286 -10.639 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.365 24.948 -9.763 1.00 0.00 C ATOM 0 H VAL A 62 7.131 22.669 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 62 7.078 25.528 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 62 8.623 23.449 -10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.027 25.122 -9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.398 24.947 -11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.463 26.349 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.824 24.851 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.087 25.988 -9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.474 24.322 -9.811 1.00 0.00 H new ATOM 659 N LYS A 63 9.447 23.830 -13.766 1.00 0.00 N ATOM 660 CA LYS A 63 10.339 23.883 -14.940 1.00 0.00 C ATOM 661 C LYS A 63 9.598 23.731 -16.281 1.00 0.00 C ATOM 662 O LYS A 63 10.181 24.037 -17.320 1.00 0.00 O ATOM 663 CB LYS A 63 11.472 22.851 -14.806 1.00 0.00 C ATOM 664 CG LYS A 63 12.871 23.421 -14.544 1.00 0.00 C ATOM 665 CD LYS A 63 13.306 23.319 -13.075 1.00 0.00 C ATOM 666 CE LYS A 63 14.826 23.509 -12.960 1.00 0.00 C ATOM 667 NZ LYS A 63 15.580 22.306 -13.422 1.00 0.00 N ATOM 0 H LYS A 63 9.426 22.919 -13.307 1.00 0.00 H new ATOM 0 HA LYS A 63 10.773 24.883 -14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.221 22.169 -13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.508 22.259 -15.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.593 22.892 -15.166 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.892 24.467 -14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.791 24.075 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.021 22.348 -12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.128 24.374 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.087 23.723 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.548 22.582 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.614 21.603 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.103 21.894 -14.249 1.00 0.00 H new ATOM 681 N GLN A 64 8.327 23.302 -16.272 1.00 0.00 N ATOM 682 CA GLN A 64 7.473 23.125 -17.460 1.00 0.00 C ATOM 683 C GLN A 64 7.926 21.955 -18.349 1.00 0.00 C ATOM 684 O GLN A 64 7.969 22.040 -19.576 1.00 0.00 O ATOM 685 CB GLN A 64 7.215 24.447 -18.212 1.00 0.00 C ATOM 686 CG GLN A 64 6.753 25.563 -17.268 1.00 0.00 C ATOM 687 CD GLN A 64 6.407 26.846 -18.022 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.252 27.152 -18.294 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.385 27.644 -18.404 1.00 0.00 N ATOM 0 H GLN A 64 7.846 23.059 -15.406 1.00 0.00 H new ATOM 0 HA GLN A 64 6.490 22.824 -17.099 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.127 24.758 -18.722 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.459 24.286 -18.980 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.881 25.226 -16.708 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.538 25.771 -16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.352 27.405 -18.186 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.174 28.500 -18.917 1.00 0.00 H new ATOM 698 N LEU A 65 8.242 20.831 -17.697 1.00 0.00 N ATOM 699 CA LEU A 65 8.672 19.574 -18.316 1.00 0.00 C ATOM 700 C LEU A 65 7.468 18.739 -18.787 1.00 0.00 C ATOM 701 O LEU A 65 7.392 17.546 -18.515 1.00 0.00 O ATOM 702 CB LEU A 65 9.561 18.788 -17.328 1.00 0.00 C ATOM 703 CG LEU A 65 10.955 19.337 -16.959 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.480 20.487 -17.817 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.007 19.672 -15.474 1.00 0.00 C ATOM 0 H LEU A 65 8.203 20.771 -16.680 1.00 0.00 H new ATOM 0 HA LEU A 65 9.260 19.802 -19.205 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.999 18.675 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.702 17.788 -17.739 1.00 0.00 H new ATOM 0 HG LEU A 65 11.646 18.526 -17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.466 20.786 -17.461 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.552 20.163 -18.855 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.797 21.334 -17.747 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.995 20.059 -15.223 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.253 20.425 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.811 18.772 -14.891 1.00 0.00 H new ATOM 717 N TYR A 66 6.485 19.345 -19.442 1.00 0.00 N ATOM 718 CA TYR A 66 5.279 18.657 -19.921 1.00 0.00 C ATOM 719 C TYR A 66 4.692 19.322 -21.184 1.00 0.00 C ATOM 720 O TYR A 66 5.068 20.444 -21.535 1.00 0.00 O ATOM 721 CB TYR A 66 4.235 18.618 -18.788 1.00 0.00 C ATOM 722 CG TYR A 66 3.604 19.960 -18.438 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.323 20.921 -17.697 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.281 20.236 -18.834 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.723 22.152 -17.362 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.679 21.466 -18.507 1.00 0.00 C ATOM 727 CZ TYR A 66 2.401 22.429 -17.769 1.00 0.00 C ATOM 728 OH TYR A 66 1.830 23.620 -17.434 1.00 0.00 O ATOM 0 H TYR A 66 6.498 20.341 -19.661 1.00 0.00 H new ATOM 0 HA TYR A 66 5.554 17.641 -20.203 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.442 17.925 -19.070 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.709 18.213 -17.894 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.336 20.713 -17.385 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.724 19.499 -19.393 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.276 22.884 -16.793 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.666 21.673 -18.820 1.00 0.00 H new ATOM 0 HH TYR A 66 0.918 23.657 -17.790 1.00 0.00 H new ATOM 738 N ASP A 67 3.758 18.648 -21.865 1.00 0.00 N ATOM 739 CA ASP A 67 3.003 19.214 -22.997 1.00 0.00 C ATOM 740 C ASP A 67 1.651 19.800 -22.550 1.00 0.00 C ATOM 741 O ASP A 67 0.936 19.188 -21.757 1.00 0.00 O ATOM 742 CB ASP A 67 2.794 18.144 -24.071 1.00 0.00 C ATOM 743 CG ASP A 67 2.155 18.744 -25.331 1.00 0.00 C ATOM 744 OD1 ASP A 67 0.909 18.852 -25.369 1.00 0.00 O ATOM 745 OD2 ASP A 67 2.899 19.149 -26.256 1.00 0.00 O ATOM 0 H ASP A 67 3.500 17.686 -21.647 1.00 0.00 H new ATOM 0 HA ASP A 67 3.589 20.034 -23.413 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.751 17.689 -24.326 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.158 17.350 -23.679 1.00 0.00 H new ATOM 750 N GLN A 68 1.260 20.965 -23.080 1.00 0.00 N ATOM 751 CA GLN A 68 0.045 21.665 -22.655 1.00 0.00 C ATOM 752 C GLN A 68 -1.283 20.989 -23.051 1.00 0.00 C ATOM 753 O GLN A 68 -2.312 21.281 -22.438 1.00 0.00 O ATOM 754 CB GLN A 68 0.115 23.123 -23.139 1.00 0.00 C ATOM 755 CG GLN A 68 -0.037 23.288 -24.663 1.00 0.00 C ATOM 756 CD GLN A 68 0.024 24.757 -25.080 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.065 25.286 -25.451 1.00 0.00 O ATOM 758 NE2 GLN A 68 -1.078 25.479 -25.028 1.00 0.00 N ATOM 0 H GLN A 68 1.777 21.447 -23.815 1.00 0.00 H new ATOM 0 HA GLN A 68 0.028 21.625 -21.566 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.667 23.697 -22.642 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.069 23.551 -22.831 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.752 22.732 -25.170 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.986 22.858 -24.983 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.953 25.053 -24.721 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.056 26.463 -25.295 1.00 0.00 H new ATOM 767 N GLN A 69 -1.274 20.083 -24.034 1.00 0.00 N ATOM 768 CA GLN A 69 -2.427 19.274 -24.451 1.00 0.00 C ATOM 769 C GLN A 69 -2.274 17.802 -24.025 1.00 0.00 C ATOM 770 O GLN A 69 -3.270 17.152 -23.703 1.00 0.00 O ATOM 771 CB GLN A 69 -2.609 19.430 -25.972 1.00 0.00 C ATOM 772 CG GLN A 69 -3.795 18.656 -26.576 1.00 0.00 C ATOM 773 CD GLN A 69 -5.154 19.065 -26.005 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.845 19.933 -26.526 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.594 18.466 -24.916 1.00 0.00 N ATOM 0 H GLN A 69 -0.436 19.885 -24.581 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.327 19.631 -23.949 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.734 20.489 -26.200 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.694 19.103 -26.466 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.804 18.808 -27.655 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.646 17.590 -26.406 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.032 17.741 -24.470 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.497 18.727 -24.520 1.00 0.00 H new ATOM 784 N GLU A 70 -1.044 17.288 -23.956 1.00 0.00 N ATOM 785 CA GLU A 70 -0.714 15.956 -23.424 1.00 0.00 C ATOM 786 C GLU A 70 -0.158 16.081 -21.998 1.00 0.00 C ATOM 787 O GLU A 70 0.974 15.702 -21.710 1.00 0.00 O ATOM 788 CB GLU A 70 0.177 15.163 -24.399 1.00 0.00 C ATOM 789 CG GLU A 70 -0.548 14.862 -25.717 1.00 0.00 C ATOM 790 CD GLU A 70 0.262 13.878 -26.582 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.115 12.644 -26.401 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.037 14.326 -27.463 1.00 0.00 O ATOM 0 H GLU A 70 -0.222 17.800 -24.278 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.622 15.358 -23.341 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.085 15.730 -24.605 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.485 14.228 -23.931 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.532 14.442 -25.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.708 15.789 -26.268 1.00 0.00 H new ATOM 799 N GLN A 71 -0.967 16.640 -21.087 1.00 0.00 N ATOM 800 CA GLN A 71 -0.548 16.967 -19.713 1.00 0.00 C ATOM 801 C GLN A 71 -0.217 15.717 -18.873 1.00 0.00 C ATOM 802 O GLN A 71 0.561 15.794 -17.922 1.00 0.00 O ATOM 803 CB GLN A 71 -1.629 17.820 -19.027 1.00 0.00 C ATOM 804 CG GLN A 71 -1.867 19.161 -19.750 1.00 0.00 C ATOM 805 CD GLN A 71 -2.921 20.051 -19.086 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.367 19.844 -17.963 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.362 21.092 -19.762 1.00 0.00 N ATOM 0 H GLN A 71 -1.939 16.881 -21.283 1.00 0.00 H new ATOM 0 HA GLN A 71 0.377 17.540 -19.782 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.563 17.259 -18.992 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.335 18.014 -17.996 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.925 19.707 -19.799 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.172 18.959 -20.777 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.003 21.281 -20.698 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.062 21.709 -19.350 1.00 0.00 H new ATOM 816 N HIS A 72 -0.753 14.554 -19.264 1.00 0.00 N ATOM 817 CA HIS A 72 -0.404 13.228 -18.738 1.00 0.00 C ATOM 818 C HIS A 72 1.029 12.787 -19.089 1.00 0.00 C ATOM 819 O HIS A 72 1.550 11.852 -18.478 1.00 0.00 O ATOM 820 CB HIS A 72 -1.415 12.222 -19.312 1.00 0.00 C ATOM 821 CG HIS A 72 -1.400 12.138 -20.821 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.162 12.927 -21.689 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.625 11.291 -21.560 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.847 12.516 -22.929 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.918 11.545 -22.882 1.00 0.00 N ATOM 0 H HIS A 72 -1.472 14.509 -19.986 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.444 13.271 -17.650 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.205 11.235 -18.900 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.416 12.499 -18.982 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.079 10.565 -21.182 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.280 12.910 -23.837 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.502 11.077 -23.687 1.00 0.00 H new ATOM 833 N MET A 73 1.657 13.437 -20.072 1.00 0.00 N ATOM 834 CA MET A 73 2.964 13.107 -20.632 1.00 0.00 C ATOM 835 C MET A 73 4.031 14.116 -20.180 1.00 0.00 C ATOM 836 O MET A 73 3.853 15.333 -20.283 1.00 0.00 O ATOM 837 CB MET A 73 2.843 13.048 -22.164 1.00 0.00 C ATOM 838 CG MET A 73 4.047 12.390 -22.802 1.00 0.00 C ATOM 839 SD MET A 73 4.169 10.628 -22.442 1.00 0.00 S ATOM 840 CE MET A 73 5.832 10.486 -23.089 1.00 0.00 C ATOM 0 H MET A 73 1.241 14.253 -20.522 1.00 0.00 H new ATOM 0 HA MET A 73 3.287 12.133 -20.265 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.942 12.497 -22.436 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.730 14.058 -22.558 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.000 12.531 -23.882 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.952 12.889 -22.454 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.995 9.472 -23.453 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.965 11.192 -23.909 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.550 10.708 -22.299 1.00 0.00 H new ATOM 850 N VAL A 74 5.163 13.607 -19.693 1.00 0.00 N ATOM 851 CA VAL A 74 6.300 14.395 -19.210 1.00 0.00 C ATOM 852 C VAL A 74 7.341 14.482 -20.322 1.00 0.00 C ATOM 853 O VAL A 74 7.615 13.500 -21.010 1.00 0.00 O ATOM 854 CB VAL A 74 6.857 13.800 -17.898 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.075 14.562 -17.359 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.770 13.847 -16.814 1.00 0.00 C ATOM 0 H VAL A 74 5.320 12.602 -19.621 1.00 0.00 H new ATOM 0 HA VAL A 74 5.987 15.410 -18.965 1.00 0.00 H new ATOM 0 HB VAL A 74 7.164 12.780 -18.130 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.418 14.094 -16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.876 14.537 -18.098 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.798 15.597 -17.159 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.162 13.427 -15.887 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.469 14.881 -16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.907 13.266 -17.139 1.00 0.00 H new ATOM 866 N TYR A 75 7.913 15.672 -20.482 1.00 0.00 N ATOM 867 CA TYR A 75 8.895 16.060 -21.493 1.00 0.00 C ATOM 868 C TYR A 75 10.043 16.838 -20.841 1.00 0.00 C ATOM 869 O TYR A 75 10.249 18.034 -21.044 1.00 0.00 O ATOM 870 CB TYR A 75 8.196 16.816 -22.631 1.00 0.00 C ATOM 871 CG TYR A 75 7.460 15.867 -23.551 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.201 14.887 -24.235 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.061 15.924 -23.690 1.00 0.00 C ATOM 874 CE1 TYR A 75 7.549 13.963 -25.068 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.405 15.012 -24.540 1.00 0.00 C ATOM 876 CZ TYR A 75 6.147 14.030 -25.234 1.00 0.00 C ATOM 877 OH TYR A 75 5.506 13.151 -26.055 1.00 0.00 O ATOM 0 H TYR A 75 7.686 16.450 -19.862 1.00 0.00 H new ATOM 0 HA TYR A 75 9.349 15.178 -21.944 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.495 17.538 -22.213 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.933 17.381 -23.202 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.274 14.845 -24.120 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.492 16.664 -23.147 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.118 13.202 -25.581 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.333 15.063 -24.661 1.00 0.00 H new ATOM 0 HH TYR A 75 4.544 13.340 -26.050 1.00 0.00 H new ATOM 887 N CYS A 76 10.802 16.110 -20.030 1.00 0.00 N ATOM 888 CA CYS A 76 12.037 16.537 -19.354 1.00 0.00 C ATOM 889 C CYS A 76 13.294 16.435 -20.258 1.00 0.00 C ATOM 890 O CYS A 76 14.382 16.094 -19.789 1.00 0.00 O ATOM 891 CB CYS A 76 12.136 15.810 -17.992 1.00 0.00 C ATOM 892 SG CYS A 76 11.891 14.015 -18.140 1.00 0.00 S ATOM 0 H CYS A 76 10.562 15.144 -19.808 1.00 0.00 H new ATOM 0 HA CYS A 76 11.992 17.606 -19.145 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.113 16.005 -17.550 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.391 16.220 -17.310 1.00 0.00 H new ATOM 0 HG CYS A 76 11.988 13.465 -16.966 1.00 0.00 H new ATOM 898 N GLY A 77 13.135 16.784 -21.546 1.00 0.00 N ATOM 899 CA GLY A 77 14.063 16.594 -22.680 1.00 0.00 C ATOM 900 C GLY A 77 15.555 16.866 -22.449 1.00 0.00 C ATOM 901 O GLY A 77 16.397 16.177 -23.029 1.00 0.00 O ATOM 0 H GLY A 77 12.279 17.248 -21.850 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.962 15.565 -23.024 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.730 17.237 -23.495 1.00 0.00 H new ATOM 905 N GLY A 78 15.887 17.836 -21.595 1.00 0.00 N ATOM 906 CA GLY A 78 17.260 18.150 -21.180 1.00 0.00 C ATOM 907 C GLY A 78 17.395 18.502 -19.694 1.00 0.00 C ATOM 908 O GLY A 78 18.351 19.187 -19.323 1.00 0.00 O ATOM 0 H GLY A 78 15.192 18.442 -21.160 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.900 17.296 -21.400 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.627 18.986 -21.776 1.00 0.00 H new ATOM 912 N ASP A 79 16.441 18.096 -18.844 1.00 0.00 N ATOM 913 CA ASP A 79 16.449 18.465 -17.419 1.00 0.00 C ATOM 914 C ASP A 79 17.231 17.468 -16.554 1.00 0.00 C ATOM 915 O ASP A 79 17.196 16.263 -16.800 1.00 0.00 O ATOM 916 CB ASP A 79 15.022 18.645 -16.887 1.00 0.00 C ATOM 917 CG ASP A 79 15.052 19.460 -15.586 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.053 20.711 -15.647 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.162 18.843 -14.506 1.00 0.00 O ATOM 0 H ASP A 79 15.652 17.511 -19.118 1.00 0.00 H new ATOM 0 HA ASP A 79 16.969 19.420 -17.349 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.408 19.152 -17.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.565 17.672 -16.707 1.00 0.00 H new ATOM 924 N LEU A 80 17.874 17.959 -15.490 1.00 0.00 N ATOM 925 CA LEU A 80 18.607 17.138 -14.521 1.00 0.00 C ATOM 926 C LEU A 80 17.720 16.050 -13.885 1.00 0.00 C ATOM 927 O LEU A 80 18.203 14.946 -13.651 1.00 0.00 O ATOM 928 CB LEU A 80 19.265 18.086 -13.498 1.00 0.00 C ATOM 929 CG LEU A 80 20.409 17.444 -12.686 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.438 18.508 -12.296 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.935 16.798 -11.382 1.00 0.00 C ATOM 0 H LEU A 80 17.900 18.956 -15.274 1.00 0.00 H new ATOM 0 HA LEU A 80 19.391 16.571 -15.023 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.653 18.958 -14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.501 18.444 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 80 20.832 16.676 -13.333 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.241 18.045 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.850 18.963 -13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.956 19.275 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.788 16.365 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.468 17.554 -10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.211 16.014 -11.606 1.00 0.00 H new ATOM 943 N LEU A 81 16.418 16.304 -13.703 1.00 0.00 N ATOM 944 CA LEU A 81 15.422 15.302 -13.294 1.00 0.00 C ATOM 945 C LEU A 81 15.317 14.150 -14.313 1.00 0.00 C ATOM 946 O LEU A 81 15.445 12.984 -13.946 1.00 0.00 O ATOM 947 CB LEU A 81 14.096 16.062 -13.065 1.00 0.00 C ATOM 948 CG LEU A 81 12.816 15.294 -12.691 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.051 14.775 -13.909 1.00 0.00 C ATOM 950 CD2 LEU A 81 13.038 14.158 -11.692 1.00 0.00 C ATOM 0 H LEU A 81 16.017 17.232 -13.839 1.00 0.00 H new ATOM 0 HA LEU A 81 15.713 14.804 -12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.275 16.794 -12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.883 16.621 -13.976 1.00 0.00 H new ATOM 0 HG LEU A 81 12.202 16.045 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.159 14.243 -13.579 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.760 15.614 -14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.688 14.097 -14.477 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.088 13.668 -11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.734 13.433 -12.114 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.451 14.562 -10.767 1.00 0.00 H new ATOM 962 N GLY A 82 15.136 14.466 -15.599 1.00 0.00 N ATOM 963 CA GLY A 82 15.108 13.474 -16.692 1.00 0.00 C ATOM 964 C GLY A 82 16.427 12.704 -16.871 1.00 0.00 C ATOM 965 O GLY A 82 16.432 11.488 -17.078 1.00 0.00 O ATOM 0 H GLY A 82 15.003 15.425 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.306 12.761 -16.501 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.867 13.983 -17.625 1.00 0.00 H new ATOM 969 N GLU A 83 17.563 13.391 -16.756 1.00 0.00 N ATOM 970 CA GLU A 83 18.911 12.796 -16.812 1.00 0.00 C ATOM 971 C GLU A 83 19.134 11.804 -15.665 1.00 0.00 C ATOM 972 O GLU A 83 19.568 10.672 -15.885 1.00 0.00 O ATOM 973 CB GLU A 83 19.973 13.896 -16.685 1.00 0.00 C ATOM 974 CG GLU A 83 19.987 14.904 -17.832 1.00 0.00 C ATOM 975 CD GLU A 83 20.936 14.469 -18.964 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.564 13.579 -19.767 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.066 15.010 -19.060 1.00 0.00 O ATOM 0 H GLU A 83 17.579 14.401 -16.618 1.00 0.00 H new ATOM 0 HA GLU A 83 18.995 12.276 -17.766 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.811 14.432 -15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.955 13.428 -16.618 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.978 15.018 -18.228 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.294 15.879 -17.455 1.00 0.00 H new ATOM 984 N LEU A 84 18.795 12.230 -14.443 1.00 0.00 N ATOM 985 CA LEU A 84 18.859 11.408 -13.229 1.00 0.00 C ATOM 986 C LEU A 84 17.946 10.179 -13.333 1.00 0.00 C ATOM 987 O LEU A 84 18.394 9.061 -13.065 1.00 0.00 O ATOM 988 CB LEU A 84 18.538 12.299 -12.007 1.00 0.00 C ATOM 989 CG LEU A 84 18.511 11.660 -10.602 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.230 10.875 -10.311 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.716 10.762 -10.323 1.00 0.00 C ATOM 0 H LEU A 84 18.461 13.177 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 84 19.866 11.009 -13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.270 13.107 -11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.564 12.756 -12.180 1.00 0.00 H new ATOM 0 HG LEU A 84 18.550 12.518 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.281 10.454 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.371 11.542 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.124 10.069 -11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.634 10.345 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.742 9.952 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.632 11.348 -10.399 1.00 0.00 H new ATOM 1003 N LEU A 85 16.688 10.359 -13.755 1.00 0.00 N ATOM 1004 CA LEU A 85 15.752 9.238 -13.894 1.00 0.00 C ATOM 1005 C LEU A 85 16.153 8.288 -15.034 1.00 0.00 C ATOM 1006 O LEU A 85 15.866 7.092 -14.978 1.00 0.00 O ATOM 1007 CB LEU A 85 14.302 9.758 -13.950 1.00 0.00 C ATOM 1008 CG LEU A 85 13.624 9.957 -15.313 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.930 8.682 -15.802 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.525 11.007 -15.188 1.00 0.00 C ATOM 0 H LEU A 85 16.297 11.267 -14.005 1.00 0.00 H new ATOM 0 HA LEU A 85 15.806 8.609 -13.005 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.685 9.067 -13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.278 10.716 -13.430 1.00 0.00 H new ATOM 0 HG LEU A 85 14.409 10.250 -16.010 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.464 8.869 -16.769 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.665 7.883 -15.902 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.166 8.385 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.044 11.148 -16.156 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.785 10.674 -14.460 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.959 11.951 -14.858 1.00 0.00 H new ATOM 1022 N GLY A 86 16.857 8.813 -16.042 1.00 0.00 N ATOM 1023 CA GLY A 86 17.411 8.040 -17.159 1.00 0.00 C ATOM 1024 C GLY A 86 16.460 7.902 -18.351 1.00 0.00 C ATOM 1025 O GLY A 86 16.792 7.223 -19.325 1.00 0.00 O ATOM 0 H GLY A 86 17.062 9.810 -16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.332 8.516 -17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.677 7.045 -16.802 1.00 0.00 H new ATOM 1029 N ARG A 87 15.299 8.571 -18.298 1.00 0.00 N ATOM 1030 CA ARG A 87 14.359 8.733 -19.421 1.00 0.00 C ATOM 1031 C ARG A 87 13.918 10.194 -19.476 1.00 0.00 C ATOM 1032 O ARG A 87 13.461 10.732 -18.474 1.00 0.00 O ATOM 1033 CB ARG A 87 13.155 7.772 -19.260 1.00 0.00 C ATOM 1034 CG ARG A 87 12.844 6.942 -20.515 1.00 0.00 C ATOM 1035 CD ARG A 87 13.853 5.803 -20.712 1.00 0.00 C ATOM 1036 NE ARG A 87 13.514 4.988 -21.895 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.218 3.985 -22.392 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.346 3.599 -21.862 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.798 3.342 -23.444 1.00 0.00 N ATOM 0 H ARG A 87 14.976 9.030 -17.446 1.00 0.00 H new ATOM 0 HA ARG A 87 14.845 8.476 -20.362 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.353 7.095 -18.429 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.272 8.354 -18.994 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.839 6.527 -20.436 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.853 7.591 -21.391 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.855 6.217 -20.827 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.870 5.171 -19.824 1.00 0.00 H new ATOM 0 HE ARG A 87 12.647 5.223 -22.379 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.711 4.075 -21.037 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.862 2.821 -22.272 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.921 3.611 -23.890 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.346 2.569 -23.822 1.00 0.00 H new ATOM 1053 N GLN A 88 14.049 10.841 -20.632 1.00 0.00 N ATOM 1054 CA GLN A 88 13.714 12.267 -20.788 1.00 0.00 C ATOM 1055 C GLN A 88 12.244 12.504 -21.206 1.00 0.00 C ATOM 1056 O GLN A 88 11.825 13.639 -21.437 1.00 0.00 O ATOM 1057 CB GLN A 88 14.752 12.961 -21.683 1.00 0.00 C ATOM 1058 CG GLN A 88 16.150 13.074 -21.043 1.00 0.00 C ATOM 1059 CD GLN A 88 16.960 11.776 -21.088 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.370 11.310 -22.143 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.206 11.114 -19.973 1.00 0.00 N ATOM 0 H GLN A 88 14.388 10.400 -21.487 1.00 0.00 H new ATOM 0 HA GLN A 88 13.776 12.743 -19.809 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.835 12.411 -22.620 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.394 13.960 -21.931 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.710 13.858 -21.553 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.039 13.386 -20.004 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.876 11.479 -19.080 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.726 10.237 -20.005 1.00 0.00 H new ATOM 1070 N SER A 89 11.448 11.433 -21.276 1.00 0.00 N ATOM 1071 CA SER A 89 9.990 11.455 -21.431 1.00 0.00 C ATOM 1072 C SER A 89 9.362 10.164 -20.886 1.00 0.00 C ATOM 1073 O SER A 89 9.927 9.074 -21.019 1.00 0.00 O ATOM 1074 CB SER A 89 9.596 11.696 -22.897 1.00 0.00 C ATOM 1075 OG SER A 89 10.082 10.669 -23.752 1.00 0.00 O ATOM 0 H SER A 89 11.819 10.484 -21.224 1.00 0.00 H new ATOM 0 HA SER A 89 9.599 12.286 -20.844 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.510 11.751 -22.977 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.989 12.658 -23.225 1.00 0.00 H new ATOM 0 HG SER A 89 9.810 10.856 -24.675 1.00 0.00 H new ATOM 1081 N PHE A 90 8.208 10.293 -20.227 1.00 0.00 N ATOM 1082 CA PHE A 90 7.411 9.190 -19.665 1.00 0.00 C ATOM 1083 C PHE A 90 5.955 9.644 -19.453 1.00 0.00 C ATOM 1084 O PHE A 90 5.685 10.844 -19.379 1.00 0.00 O ATOM 1085 CB PHE A 90 8.034 8.683 -18.344 1.00 0.00 C ATOM 1086 CG PHE A 90 8.077 9.693 -17.208 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.163 10.583 -17.080 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.024 9.742 -16.272 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.180 11.529 -16.040 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.045 10.687 -15.231 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.120 11.586 -15.119 1.00 0.00 C ATOM 0 H PHE A 90 7.782 11.205 -20.061 1.00 0.00 H new ATOM 0 HA PHE A 90 7.412 8.360 -20.372 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.473 7.811 -18.010 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.051 8.349 -18.548 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.983 10.538 -17.782 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.198 9.051 -16.355 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.010 12.214 -15.949 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.235 10.722 -14.517 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.131 12.319 -14.326 1.00 0.00 H new ATOM 1101 N SER A 91 5.015 8.702 -19.343 1.00 0.00 N ATOM 1102 CA SER A 91 3.602 8.994 -19.047 1.00 0.00 C ATOM 1103 C SER A 91 3.264 8.704 -17.586 1.00 0.00 C ATOM 1104 O SER A 91 3.783 7.758 -16.993 1.00 0.00 O ATOM 1105 CB SER A 91 2.683 8.197 -19.974 1.00 0.00 C ATOM 1106 OG SER A 91 1.324 8.460 -19.661 1.00 0.00 O ATOM 0 H SER A 91 5.210 7.707 -19.457 1.00 0.00 H new ATOM 0 HA SER A 91 3.442 10.058 -19.222 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.883 8.462 -21.012 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.888 7.131 -19.872 1.00 0.00 H new ATOM 0 HG SER A 91 0.745 7.946 -20.262 1.00 0.00 H new ATOM 1112 N VAL A 92 2.315 9.450 -17.019 1.00 0.00 N ATOM 1113 CA VAL A 92 1.725 9.160 -15.702 1.00 0.00 C ATOM 1114 C VAL A 92 0.994 7.803 -15.675 1.00 0.00 C ATOM 1115 O VAL A 92 0.888 7.175 -14.621 1.00 0.00 O ATOM 1116 CB VAL A 92 0.811 10.328 -15.289 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.526 10.354 -16.037 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.551 10.328 -13.787 1.00 0.00 C ATOM 0 H VAL A 92 1.927 10.283 -17.462 1.00 0.00 H new ATOM 0 HA VAL A 92 2.527 9.069 -14.970 1.00 0.00 H new ATOM 0 HB VAL A 92 1.357 11.229 -15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.118 11.203 -15.695 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.342 10.447 -17.107 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.070 9.430 -15.841 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.098 11.166 -13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.068 9.394 -13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.497 10.425 -13.254 1.00 0.00 H new ATOM 1128 N LYS A 93 0.546 7.311 -16.844 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.052 5.983 -17.049 1.00 0.00 C ATOM 1130 C LYS A 93 1.002 4.872 -17.227 1.00 0.00 C ATOM 1131 O LYS A 93 0.664 3.695 -17.117 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.994 6.131 -18.259 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.795 4.905 -18.718 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.976 4.472 -17.825 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.643 3.776 -16.494 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.886 2.506 -16.678 1.00 0.00 N ATOM 0 H LYS A 93 0.594 7.852 -17.707 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.606 5.661 -16.167 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.705 6.925 -18.030 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.397 6.472 -19.104 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.181 5.106 -19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.108 4.063 -18.805 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.571 5.358 -17.602 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.609 3.801 -18.406 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.060 4.454 -15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.568 3.567 -15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.965 1.927 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.279 1.982 -17.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.885 2.722 -16.859 1.00 0.00 H new ATOM 1150 N ASP A 94 2.266 5.227 -17.464 1.00 0.00 N ATOM 1151 CA ASP A 94 3.393 4.297 -17.632 1.00 0.00 C ATOM 1152 C ASP A 94 4.662 4.788 -16.889 1.00 0.00 C ATOM 1153 O ASP A 94 5.645 5.193 -17.521 1.00 0.00 O ATOM 1154 CB ASP A 94 3.631 4.053 -19.133 1.00 0.00 C ATOM 1155 CG ASP A 94 4.742 3.020 -19.409 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.079 2.212 -18.509 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.265 2.996 -20.550 1.00 0.00 O ATOM 0 H ASP A 94 2.547 6.204 -17.548 1.00 0.00 H new ATOM 0 HA ASP A 94 3.143 3.342 -17.171 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.703 3.711 -19.591 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.893 4.997 -19.611 1.00 0.00 H new ATOM 1162 N PRO A 95 4.670 4.753 -15.539 1.00 0.00 N ATOM 1163 CA PRO A 95 5.802 5.164 -14.700 1.00 0.00 C ATOM 1164 C PRO A 95 6.935 4.115 -14.645 1.00 0.00 C ATOM 1165 O PRO A 95 7.692 4.068 -13.676 1.00 0.00 O ATOM 1166 CB PRO A 95 5.170 5.459 -13.331 1.00 0.00 C ATOM 1167 CG PRO A 95 4.058 4.416 -13.252 1.00 0.00 C ATOM 1168 CD PRO A 95 3.547 4.368 -14.691 1.00 0.00 C ATOM 0 HA PRO A 95 6.314 6.037 -15.104 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.889 5.349 -12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.779 6.475 -13.274 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.433 3.447 -12.922 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.275 4.710 -12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.193 3.369 -14.945 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.706 5.048 -14.828 1.00 0.00 H new ATOM 1176 N SER A 96 7.085 3.265 -15.665 1.00 0.00 N ATOM 1177 CA SER A 96 8.063 2.160 -15.691 1.00 0.00 C ATOM 1178 C SER A 96 9.522 2.594 -15.436 1.00 0.00 C ATOM 1179 O SER A 96 10.162 1.991 -14.569 1.00 0.00 O ATOM 1180 CB SER A 96 7.962 1.366 -17.002 1.00 0.00 C ATOM 1181 OG SER A 96 6.716 0.697 -17.093 1.00 0.00 O ATOM 0 H SER A 96 6.522 3.322 -16.514 1.00 0.00 H new ATOM 0 HA SER A 96 7.792 1.519 -14.852 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.080 2.040 -17.850 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.774 0.641 -17.056 1.00 0.00 H new ATOM 0 HG SER A 96 6.168 1.120 -17.786 1.00 0.00 H new ATOM 1187 N PRO A 97 10.066 3.654 -16.083 1.00 0.00 N ATOM 1188 CA PRO A 97 11.404 4.155 -15.749 1.00 0.00 C ATOM 1189 C PRO A 97 11.450 4.864 -14.382 1.00 0.00 C ATOM 1190 O PRO A 97 12.504 4.919 -13.753 1.00 0.00 O ATOM 1191 CB PRO A 97 11.777 5.100 -16.894 1.00 0.00 C ATOM 1192 CG PRO A 97 10.428 5.634 -17.370 1.00 0.00 C ATOM 1193 CD PRO A 97 9.519 4.418 -17.205 1.00 0.00 C ATOM 0 HA PRO A 97 12.115 3.335 -15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.430 5.904 -16.554 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.305 4.576 -17.691 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.090 6.479 -16.769 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.468 5.974 -18.405 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.492 4.723 -17.005 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.502 3.817 -18.114 1.00 0.00 H new ATOM 1201 N LEU A 98 10.318 5.381 -13.887 1.00 0.00 N ATOM 1202 CA LEU A 98 10.232 6.111 -12.617 1.00 0.00 C ATOM 1203 C LEU A 98 10.337 5.173 -11.401 1.00 0.00 C ATOM 1204 O LEU A 98 11.062 5.478 -10.455 1.00 0.00 O ATOM 1205 CB LEU A 98 8.932 6.939 -12.616 1.00 0.00 C ATOM 1206 CG LEU A 98 8.875 8.027 -11.531 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.822 9.186 -11.844 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.463 8.598 -11.451 1.00 0.00 C ATOM 0 H LEU A 98 9.421 5.302 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 98 11.082 6.787 -12.528 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.814 7.409 -13.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.086 6.265 -12.483 1.00 0.00 H new ATOM 0 HG LEU A 98 9.170 7.561 -10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.754 9.935 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.845 8.814 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.543 9.636 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.425 9.369 -10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.191 9.032 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.762 7.801 -11.201 1.00 0.00 H new ATOM 1220 N TYR A 99 9.699 3.998 -11.440 1.00 0.00 N ATOM 1221 CA TYR A 99 9.910 2.966 -10.410 1.00 0.00 C ATOM 1222 C TYR A 99 11.347 2.438 -10.423 1.00 0.00 C ATOM 1223 O TYR A 99 11.951 2.264 -9.366 1.00 0.00 O ATOM 1224 CB TYR A 99 8.925 1.803 -10.577 1.00 0.00 C ATOM 1225 CG TYR A 99 7.582 2.043 -9.909 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.601 2.839 -10.531 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.332 1.493 -8.635 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.373 3.087 -9.884 1.00 0.00 C ATOM 1229 CE2 TYR A 99 6.104 1.733 -7.987 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.121 2.532 -8.609 1.00 0.00 C ATOM 1231 OH TYR A 99 3.938 2.761 -7.972 1.00 0.00 O ATOM 0 H TYR A 99 9.035 3.736 -12.168 1.00 0.00 H new ATOM 0 HA TYR A 99 9.729 3.442 -9.446 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.766 1.623 -11.640 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.371 0.898 -10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.790 3.261 -11.507 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.084 0.886 -8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.625 3.701 -10.363 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.915 1.305 -7.014 1.00 0.00 H new ATOM 0 HH TYR A 99 3.938 2.301 -7.107 1.00 0.00 H new ATOM 1241 N ASP A 100 11.932 2.240 -11.606 1.00 0.00 N ATOM 1242 CA ASP A 100 13.323 1.796 -11.719 1.00 0.00 C ATOM 1243 C ASP A 100 14.300 2.834 -11.152 1.00 0.00 C ATOM 1244 O ASP A 100 15.231 2.483 -10.426 1.00 0.00 O ATOM 1245 CB ASP A 100 13.631 1.488 -13.188 1.00 0.00 C ATOM 1246 CG ASP A 100 14.958 0.730 -13.355 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.060 -0.428 -12.885 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.902 1.286 -13.966 1.00 0.00 O ATOM 0 H ASP A 100 11.463 2.380 -12.501 1.00 0.00 H new ATOM 0 HA ASP A 100 13.453 0.892 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.820 0.895 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.673 2.420 -13.752 1.00 0.00 H new ATOM 1253 N MET A 101 14.045 4.123 -11.407 1.00 0.00 N ATOM 1254 CA MET A 101 14.843 5.211 -10.833 1.00 0.00 C ATOM 1255 C MET A 101 14.683 5.318 -9.315 1.00 0.00 C ATOM 1256 O MET A 101 15.680 5.479 -8.615 1.00 0.00 O ATOM 1257 CB MET A 101 14.612 6.544 -11.566 1.00 0.00 C ATOM 1258 CG MET A 101 13.600 7.529 -10.953 1.00 0.00 C ATOM 1259 SD MET A 101 14.347 8.878 -10.007 1.00 0.00 S ATOM 1260 CE MET A 101 12.916 9.986 -9.939 1.00 0.00 C ATOM 0 H MET A 101 13.287 4.439 -12.012 1.00 0.00 H new ATOM 0 HA MET A 101 15.890 4.956 -10.996 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.572 7.054 -11.645 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.287 6.317 -12.581 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.995 7.955 -11.754 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.923 6.976 -10.302 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.926 10.536 -8.998 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.960 10.689 -10.771 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.999 9.401 -10.007 1.00 0.00 H new ATOM 1270 N LEU A 102 13.473 5.172 -8.764 1.00 0.00 N ATOM 1271 CA LEU A 102 13.255 5.347 -7.333 1.00 0.00 C ATOM 1272 C LEU A 102 13.907 4.183 -6.584 1.00 0.00 C ATOM 1273 O LEU A 102 14.670 4.430 -5.659 1.00 0.00 O ATOM 1274 CB LEU A 102 11.765 5.658 -7.046 1.00 0.00 C ATOM 1275 CG LEU A 102 10.767 4.493 -6.901 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.811 3.844 -5.518 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.338 4.994 -7.117 1.00 0.00 C ATOM 0 H LEU A 102 12.633 4.933 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 102 13.756 6.229 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.723 6.242 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.404 6.301 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 102 11.055 3.756 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.087 3.030 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.810 3.451 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.567 4.587 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.641 4.162 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.105 5.759 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.249 5.419 -8.117 1.00 0.00 H new ATOM 1289 N ARG A 103 13.769 2.946 -7.080 1.00 0.00 N ATOM 1290 CA ARG A 103 14.400 1.739 -6.509 1.00 0.00 C ATOM 1291 C ARG A 103 15.938 1.741 -6.567 1.00 0.00 C ATOM 1292 O ARG A 103 16.557 0.979 -5.822 1.00 0.00 O ATOM 1293 CB ARG A 103 13.823 0.491 -7.201 1.00 0.00 C ATOM 1294 CG ARG A 103 12.362 0.231 -6.793 1.00 0.00 C ATOM 1295 CD ARG A 103 11.776 -0.941 -7.587 1.00 0.00 C ATOM 1296 NE ARG A 103 10.395 -1.249 -7.158 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.607 -2.186 -7.659 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.980 -2.951 -8.647 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.413 -2.376 -7.174 1.00 0.00 N ATOM 0 H ARG A 103 13.205 2.748 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 103 14.160 1.730 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.881 0.616 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.431 -0.378 -6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.311 0.015 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.766 1.127 -6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.783 -0.701 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.404 -1.822 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 103 10.012 -0.683 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.906 -2.837 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.346 -3.664 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.079 -1.800 -6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.812 -3.101 -7.567 1.00 0.00 H new ATOM 1313 N LYS A 104 16.561 2.604 -7.389 1.00 0.00 N ATOM 1314 CA LYS A 104 18.025 2.831 -7.403 1.00 0.00 C ATOM 1315 C LYS A 104 18.479 4.124 -6.713 1.00 0.00 C ATOM 1316 O LYS A 104 19.679 4.395 -6.642 1.00 0.00 O ATOM 1317 CB LYS A 104 18.590 2.622 -8.818 1.00 0.00 C ATOM 1318 CG LYS A 104 18.505 3.839 -9.753 1.00 0.00 C ATOM 1319 CD LYS A 104 18.985 3.531 -11.182 1.00 0.00 C ATOM 1320 CE LYS A 104 17.994 2.614 -11.911 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.397 2.331 -13.313 1.00 0.00 N ATOM 0 H LYS A 104 16.060 3.172 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 104 18.473 2.067 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.635 2.324 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.059 1.791 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.474 4.191 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.105 4.650 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.102 4.461 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.966 3.056 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.907 1.674 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.007 3.077 -11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.595 1.914 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.684 3.216 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.195 1.664 -13.317 1.00 0.00 H new ATOM 1335 N ASN A 105 17.538 4.934 -6.222 1.00 0.00 N ATOM 1336 CA ASN A 105 17.823 6.141 -5.434 1.00 0.00 C ATOM 1337 C ASN A 105 17.384 5.938 -3.971 1.00 0.00 C ATOM 1338 O ASN A 105 18.198 5.763 -3.067 1.00 0.00 O ATOM 1339 CB ASN A 105 17.124 7.338 -6.117 1.00 0.00 C ATOM 1340 CG ASN A 105 17.917 7.899 -7.283 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.725 8.799 -7.143 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.728 7.357 -8.455 1.00 0.00 N ATOM 0 H ASN A 105 16.541 4.769 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 105 18.893 6.346 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.141 7.025 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.963 8.126 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.259 7.687 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.049 6.603 -8.565 1.00 0.00 H new ATOM 1349 N LEU A 106 16.071 5.945 -3.770 1.00 0.00 N ATOM 1350 CA LEU A 106 15.386 5.689 -2.501 1.00 0.00 C ATOM 1351 C LEU A 106 15.604 4.241 -2.021 1.00 0.00 C ATOM 1352 O LEU A 106 15.814 3.325 -2.818 1.00 0.00 O ATOM 1353 CB LEU A 106 13.866 5.926 -2.672 1.00 0.00 C ATOM 1354 CG LEU A 106 13.357 7.372 -2.818 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.938 8.148 -3.999 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.846 7.309 -3.019 1.00 0.00 C ATOM 0 H LEU A 106 15.417 6.140 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 106 15.802 6.371 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.541 5.370 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.363 5.483 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 106 13.669 7.898 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.518 9.154 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.021 8.209 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.689 7.636 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.451 8.319 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.622 6.734 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.384 6.828 -2.157 1.00 0.00 H new ATOM 1368 N VAL A 107 15.420 4.013 -0.717 1.00 0.00 N ATOM 1369 CA VAL A 107 15.364 2.664 -0.105 1.00 0.00 C ATOM 1370 C VAL A 107 14.015 1.953 -0.322 1.00 0.00 C ATOM 1371 O VAL A 107 13.438 1.370 0.597 1.00 0.00 O ATOM 1372 CB VAL A 107 15.799 2.652 1.372 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.277 3.039 1.504 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.965 3.576 2.272 1.00 0.00 C ATOM 0 H VAL A 107 15.303 4.766 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 107 16.105 2.076 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 107 15.635 1.630 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.564 3.024 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.890 2.328 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.428 4.040 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.331 3.513 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.051 4.603 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.920 3.268 2.241 1.00 0.00 H new ATOM 1384 N THR A 108 13.509 1.986 -1.557 1.00 0.00 N ATOM 1385 CA THR A 108 12.346 1.195 -1.998 1.00 0.00 C ATOM 1386 C THR A 108 11.070 1.487 -1.193 1.00 0.00 C ATOM 1387 O THR A 108 10.505 0.629 -0.511 1.00 0.00 O ATOM 1388 CB THR A 108 12.736 -0.296 -2.060 1.00 0.00 C ATOM 1389 OG1 THR A 108 13.858 -0.429 -2.916 1.00 0.00 O ATOM 1390 CG2 THR A 108 11.650 -1.202 -2.667 1.00 0.00 C ATOM 0 H THR A 108 13.899 2.572 -2.295 1.00 0.00 H new ATOM 0 HA THR A 108 12.073 1.504 -3.007 1.00 0.00 H new ATOM 0 HB THR A 108 12.916 -0.602 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.121 -1.372 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.000 -2.234 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.742 -1.132 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.438 -0.882 -3.687 1.00 0.00 H new ATOM 1398 N LEU A 109 10.607 2.740 -1.270 1.00 0.00 N ATOM 1399 CA LEU A 109 9.293 3.148 -0.763 1.00 0.00 C ATOM 1400 C LEU A 109 8.247 2.984 -1.875 1.00 0.00 C ATOM 1401 O LEU A 109 8.489 3.352 -3.025 1.00 0.00 O ATOM 1402 CB LEU A 109 9.343 4.595 -0.240 1.00 0.00 C ATOM 1403 CG LEU A 109 9.948 4.808 1.156 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.049 4.234 2.250 1.00 0.00 C ATOM 1405 CD2 LEU A 109 11.352 4.231 1.336 1.00 0.00 C ATOM 0 H LEU A 109 11.138 3.504 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 109 9.009 2.511 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.912 5.194 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.327 4.989 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 109 10.025 5.891 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.508 4.403 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.077 4.726 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.920 3.164 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.699 4.428 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.328 3.155 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.031 4.698 0.623 1.00 0.00 H new ATOM 1417 N ALA A 110 7.082 2.439 -1.524 1.00 0.00 N ATOM 1418 CA ALA A 110 6.017 2.084 -2.463 1.00 0.00 C ATOM 1419 C ALA A 110 4.622 2.370 -1.871 1.00 0.00 C ATOM 1420 O ALA A 110 4.443 2.388 -0.649 1.00 0.00 O ATOM 1421 CB ALA A 110 6.214 0.610 -2.853 1.00 0.00 C ATOM 0 H ALA A 110 6.847 2.227 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 110 6.074 2.701 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.435 0.312 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.190 0.485 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.157 -0.013 -1.961 1.00 0.00 H new ATOM 1427 N THR A 111 3.637 2.625 -2.738 1.00 0.00 N ATOM 1428 CA THR A 111 2.272 3.045 -2.356 1.00 0.00 C ATOM 1429 C THR A 111 1.194 2.553 -3.330 1.00 0.00 C ATOM 1430 O THR A 111 1.483 2.145 -4.465 1.00 0.00 O ATOM 1431 CB THR A 111 2.198 4.574 -2.193 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.906 4.923 -1.739 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.477 5.362 -3.479 1.00 0.00 C ATOM 0 H THR A 111 3.762 2.546 -3.747 1.00 0.00 H new ATOM 0 HA THR A 111 2.062 2.572 -1.397 1.00 0.00 H new ATOM 0 HB THR A 111 2.980 4.840 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.849 5.895 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.404 6.430 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.479 5.129 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.746 5.088 -4.240 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.898 12.566 -10.653 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.344 13.354 -10.328 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.670 11.276 -9.093 1.00 0.00 C HETATM 1445 CG3 48L A 200 -1.185 13.710 -12.766 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.506 12.763 -11.586 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.475 13.622 -9.558 1.00 0.00 C HETATM 1448 CD3 48L A 200 0.880 10.281 -10.052 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.088 11.041 -7.778 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.319 12.971 -13.126 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.558 14.486 -13.756 1.00 0.00 C HETATM 1452 CE1 48L A 200 3.777 12.434 -12.057 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.747 13.303 -10.030 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.682 9.831 -7.423 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.499 9.083 -9.701 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.888 13.100 -14.391 1.00 0.00 C HETATM 1457 CE6 48L A 200 -1.148 14.630 -15.011 1.00 0.00 C HETATM 1458 CZ1 48L A 200 4.897 12.709 -11.279 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.890 8.845 -8.386 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.317 13.958 -15.329 1.00 0.00 C HETATM 1461 CL 48L A 200 6.475 12.298 -11.852 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -4.168 13.694 -16.965 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.085 14.074 -15.315 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.913 15.883 -13.761 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.428 18.737 -12.625 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.586 18.098 -12.862 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.286 19.855 -13.085 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.942 16.786 -12.308 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.641 16.646 -11.331 1.00 0.00 N HETATM 1470 C3 48L A 200 -2.081 16.408 -11.088 1.00 0.00 C HETATM 1471 N3 48L A 200 0.217 14.535 -10.776 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.846 14.151 -16.589 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.354 18.030 -11.799 1.00 0.00 C HETATM 1474 C5 48L A 200 0.369 15.876 -10.840 1.00 0.00 C HETATM 1475 O5 48L A 200 1.390 16.408 -10.440 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.705 13.622 -11.352 1.00 0.00 C HETATM 1477 O6 48L A 200 0.694 15.022 -13.520 1.00 0.00 O HETATM 1478 C7 48L A 200 -0.004 12.599 -9.460 1.00 0.00 C HETATM 1479 C8 48L A 200 0.970 13.764 -9.790 1.00 0.00 C HETATM 1480 C9 48L A 200 1.692 15.337 -14.521 1.00 0.00 C HETATM 1481 BR 48L A 200 1.820 7.769 -11.033 1.00 0.00 BR HETATM 1482 F 48L A 200 0.920 11.983 -6.831 1.00 0.00 F