USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -0.265 K(o=0.3,f=-4!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -110:sc= 0.561 (180deg=0.726) USER MOD Set 2.1: A 43 SER OG : rot 164:sc= 0.71 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -175:sc= 0.722 (180deg=-0.117) USER MOD Set 3.1: A 28 SER OG : rot -29:sc= 0.0134 USER MOD Set 3.2: A 64 THR OG1 : rot 72:sc= 1.34 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0306 K(o=-0.031,f=-5.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.805 K(o=0.81,f=-0.19) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= 0.0318 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000157 USER MOD Single : A 42 THR OG1 : rot 122:sc= 0.338 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 158:sc= -0.781 (180deg=-1.75) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -100:sc= -0.804 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 89 SER OG : rot 69:sc= 0.027 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 110:sc= 1.03 USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000589 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.794 -10.602 3.336 1.00 0.00 N ATOM 61 CA LYS A 5 0.325 -10.549 3.224 1.00 0.00 C ATOM 62 C LYS A 5 -0.138 -9.236 3.845 1.00 0.00 C ATOM 63 O LYS A 5 0.599 -8.253 3.881 1.00 0.00 O ATOM 64 CB LYS A 5 -0.356 -11.850 3.742 1.00 0.00 C ATOM 65 CG LYS A 5 -0.552 -12.880 2.604 1.00 0.00 C ATOM 66 CD LYS A 5 -0.384 -14.328 3.084 1.00 0.00 C ATOM 67 CE LYS A 5 -1.593 -14.794 3.890 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.333 -16.086 4.549 1.00 0.00 N ATOM 0 HA LYS A 5 -0.001 -10.536 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.252 -12.291 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.322 -11.605 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.546 -12.756 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.166 -12.679 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.244 -14.983 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.515 -14.408 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.843 -14.044 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.457 -14.887 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.173 -16.376 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.119 -16.806 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.523 -15.990 5.194 1.00 0.00 H new ATOM 78 N LEU A 6 -1.410 -9.188 4.198 1.00 0.00 N ATOM 79 CA LEU A 6 -2.174 -8.045 4.647 1.00 0.00 C ATOM 80 C LEU A 6 -2.635 -8.290 6.086 1.00 0.00 C ATOM 81 O LEU A 6 -2.356 -9.342 6.661 1.00 0.00 O ATOM 82 CB LEU A 6 -3.397 -7.773 3.748 1.00 0.00 C ATOM 83 CG LEU A 6 -3.233 -8.135 2.267 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.678 -9.598 2.098 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.046 -7.232 1.352 1.00 0.00 C ATOM 0 H LEU A 6 -1.985 -10.030 4.174 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.531 -7.166 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.247 -8.328 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.647 -6.714 3.818 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.190 -7.999 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.575 -9.891 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.055 -10.242 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.720 -9.699 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.893 -7.532 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.103 -7.317 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.725 -6.199 1.482 1.00 0.00 H new ATOM 96 N ASP A 7 -3.406 -7.348 6.629 1.00 0.00 N ATOM 97 CA ASP A 7 -4.109 -7.482 7.907 1.00 0.00 C ATOM 98 C ASP A 7 -5.601 -7.178 7.755 1.00 0.00 C ATOM 99 O ASP A 7 -6.422 -7.888 8.322 1.00 0.00 O ATOM 100 CB ASP A 7 -3.484 -6.545 8.952 1.00 0.00 C ATOM 101 CG ASP A 7 -2.994 -7.276 10.197 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.423 -8.379 10.081 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.184 -6.730 11.308 1.00 0.00 O ATOM 0 H ASP A 7 -3.564 -6.446 6.181 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.008 -8.514 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.648 -6.012 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.219 -5.795 9.244 1.00 0.00 H new ATOM 107 N ILE A 8 -5.927 -6.164 6.940 1.00 0.00 N ATOM 108 CA ILE A 8 -7.242 -5.634 6.569 1.00 0.00 C ATOM 109 C ILE A 8 -8.128 -5.235 7.770 1.00 0.00 C ATOM 110 O ILE A 8 -8.448 -6.030 8.650 1.00 0.00 O ATOM 111 CB ILE A 8 -7.945 -6.556 5.550 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.028 -6.858 4.339 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.254 -5.898 5.073 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.699 -7.648 3.207 1.00 0.00 C ATOM 0 H ILE A 8 -5.189 -5.637 6.473 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.063 -4.683 6.066 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.171 -7.502 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.659 -5.915 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.160 -7.417 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.748 -6.551 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.912 -5.735 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.029 -4.942 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.982 -7.812 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.043 -8.609 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.550 -7.084 2.824 1.00 0.00 H new ATOM 125 N VAL A 9 -8.533 -3.962 7.795 1.00 0.00 N ATOM 126 CA VAL A 9 -9.341 -3.324 8.829 1.00 0.00 C ATOM 127 C VAL A 9 -10.266 -2.317 8.148 1.00 0.00 C ATOM 128 O VAL A 9 -9.896 -1.171 7.912 1.00 0.00 O ATOM 129 CB VAL A 9 -8.442 -2.707 9.928 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.290 -2.150 11.080 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.406 -3.705 10.473 1.00 0.00 C ATOM 0 H VAL A 9 -8.289 -3.313 7.047 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.962 -4.052 9.351 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.894 -1.891 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.636 -1.722 11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.958 -1.377 10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.879 -2.955 11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.803 -3.220 11.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.920 -4.564 10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.760 -4.039 9.661 1.00 0.00 H new ATOM 141 N GLU A 10 -11.451 -2.752 7.727 1.00 0.00 N ATOM 142 CA GLU A 10 -12.424 -1.873 7.108 1.00 0.00 C ATOM 143 C GLU A 10 -12.984 -1.014 8.234 1.00 0.00 C ATOM 144 O GLU A 10 -13.506 -1.540 9.219 1.00 0.00 O ATOM 145 CB GLU A 10 -13.486 -2.688 6.364 1.00 0.00 C ATOM 146 CG GLU A 10 -12.873 -3.691 5.369 1.00 0.00 C ATOM 147 CD GLU A 10 -13.849 -4.784 4.970 1.00 0.00 C ATOM 148 OE1 GLU A 10 -14.318 -5.524 5.856 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.108 -4.948 3.759 1.00 0.00 O ATOM 0 H GLU A 10 -11.758 -3.721 7.808 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.987 -1.229 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.098 -3.227 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.150 -2.010 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.545 -3.158 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.987 -4.144 5.814 1.00 0.00 H new ATOM 154 N GLN A 11 -12.761 0.293 8.137 1.00 0.00 N ATOM 155 CA GLN A 11 -13.120 1.263 9.149 1.00 0.00 C ATOM 156 C GLN A 11 -14.613 1.600 8.989 1.00 0.00 C ATOM 157 O GLN A 11 -15.453 0.730 8.749 1.00 0.00 O ATOM 158 CB GLN A 11 -12.162 2.465 9.093 1.00 0.00 C ATOM 159 CG GLN A 11 -12.050 3.257 10.421 1.00 0.00 C ATOM 160 CD GLN A 11 -12.463 4.730 10.319 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.188 5.119 9.411 1.00 0.00 O ATOM 162 NE2 GLN A 11 -12.038 5.579 11.236 1.00 0.00 N ATOM 0 H GLN A 11 -12.311 0.713 7.324 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.001 0.867 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.171 2.111 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.494 3.143 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.670 2.770 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.020 3.205 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.435 5.254 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.313 6.560 11.189 1.00 0.00 H new ATOM 169 N ASP A 12 -14.969 2.867 9.142 1.00 0.00 N ATOM 170 CA ASP A 12 -16.304 3.386 8.861 1.00 0.00 C ATOM 171 C ASP A 12 -16.498 3.667 7.378 1.00 0.00 C ATOM 172 O ASP A 12 -17.432 3.121 6.792 1.00 0.00 O ATOM 173 CB ASP A 12 -16.634 4.607 9.729 1.00 0.00 C ATOM 174 CG ASP A 12 -18.013 4.443 10.367 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.259 3.355 10.949 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.817 5.401 10.329 1.00 0.00 O ATOM 0 H ASP A 12 -14.322 3.583 9.473 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.017 2.607 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.878 4.726 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.612 5.511 9.121 1.00 0.00 H new ATOM 180 N ASP A 13 -15.617 4.454 6.749 1.00 0.00 N ATOM 181 CA ASP A 13 -15.694 4.723 5.301 1.00 0.00 C ATOM 182 C ASP A 13 -14.332 4.619 4.600 1.00 0.00 C ATOM 183 O ASP A 13 -14.249 4.694 3.371 1.00 0.00 O ATOM 184 CB ASP A 13 -16.397 6.057 4.999 1.00 0.00 C ATOM 185 CG ASP A 13 -16.930 6.099 3.560 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.864 5.324 3.254 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.452 6.918 2.736 1.00 0.00 O ATOM 0 H ASP A 13 -14.839 4.918 7.218 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.313 3.931 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.221 6.202 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.700 6.880 5.154 1.00 0.00 H new ATOM 191 N LYS A 14 -13.259 4.355 5.355 1.00 0.00 N ATOM 192 CA LYS A 14 -11.923 4.069 4.839 1.00 0.00 C ATOM 193 C LYS A 14 -11.657 2.588 5.038 1.00 0.00 C ATOM 194 O LYS A 14 -12.063 2.013 6.043 1.00 0.00 O ATOM 195 CB LYS A 14 -10.871 4.982 5.504 1.00 0.00 C ATOM 196 CG LYS A 14 -10.674 4.788 7.011 1.00 0.00 C ATOM 197 CD LYS A 14 -9.797 5.851 7.686 1.00 0.00 C ATOM 198 CE LYS A 14 -10.547 7.184 7.650 1.00 0.00 C ATOM 199 NZ LYS A 14 -9.957 8.238 8.503 1.00 0.00 N ATOM 0 H LYS A 14 -13.302 4.335 6.374 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.856 4.288 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.914 4.822 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.153 6.019 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.651 4.783 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.229 3.808 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.578 5.566 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.841 5.939 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.579 7.542 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.578 7.016 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.523 9.107 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.950 7.920 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.983 8.429 8.194 1.00 0.00 H new ATOM 209 N ALA A 15 -11.023 1.946 4.073 1.00 0.00 N ATOM 210 CA ALA A 15 -10.658 0.537 4.156 1.00 0.00 C ATOM 211 C ALA A 15 -9.176 0.495 4.482 1.00 0.00 C ATOM 212 O ALA A 15 -8.362 0.831 3.620 1.00 0.00 O ATOM 213 CB ALA A 15 -11.011 -0.204 2.856 1.00 0.00 C ATOM 0 H ALA A 15 -10.743 2.390 3.199 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.220 0.020 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.728 -1.253 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.084 -0.132 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.472 0.247 2.023 1.00 0.00 H new ATOM 219 N ILE A 16 -8.796 0.173 5.725 1.00 0.00 N ATOM 220 CA ILE A 16 -7.363 0.075 6.001 1.00 0.00 C ATOM 221 C ILE A 16 -6.900 -1.287 5.482 1.00 0.00 C ATOM 222 O ILE A 16 -7.489 -2.315 5.819 1.00 0.00 O ATOM 223 CB ILE A 16 -7.066 0.379 7.486 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.558 1.802 7.864 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.571 0.234 7.807 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.097 1.919 9.287 1.00 0.00 C ATOM 0 H ILE A 16 -9.419 -0.014 6.511 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.778 0.832 5.478 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.610 -0.354 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.733 2.504 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.339 2.102 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.402 0.456 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.251 -0.786 7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.998 0.929 7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.420 2.944 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.944 1.244 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.313 1.653 9.996 1.00 0.00 H new ATOM 237 N VAL A 17 -5.872 -1.330 4.637 1.00 0.00 N ATOM 238 CA VAL A 17 -5.269 -2.568 4.167 1.00 0.00 C ATOM 239 C VAL A 17 -3.850 -2.539 4.687 1.00 0.00 C ATOM 240 O VAL A 17 -2.884 -2.170 4.029 1.00 0.00 O ATOM 241 CB VAL A 17 -5.386 -2.689 2.647 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.746 -3.992 2.165 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.849 -2.645 2.185 1.00 0.00 C ATOM 0 H VAL A 17 -5.431 -0.493 4.256 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.774 -3.461 4.536 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.861 -1.837 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.838 -4.063 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.692 -4.004 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.252 -4.839 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.891 -2.734 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.399 -3.470 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.298 -1.700 2.489 1.00 0.00 H new ATOM 253 N ARG A 18 -3.741 -2.914 5.946 1.00 0.00 N ATOM 254 CA ARG A 18 -2.460 -3.019 6.607 1.00 0.00 C ATOM 255 C ARG A 18 -1.587 -4.003 5.867 1.00 0.00 C ATOM 256 O ARG A 18 -2.102 -5.062 5.497 1.00 0.00 O ATOM 257 CB ARG A 18 -2.677 -3.438 8.061 1.00 0.00 C ATOM 258 CG ARG A 18 -2.813 -2.283 9.040 1.00 0.00 C ATOM 259 CD ARG A 18 -3.399 -2.721 10.390 1.00 0.00 C ATOM 260 NE ARG A 18 -3.494 -1.580 11.310 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.475 -0.965 11.921 1.00 0.00 C ATOM 262 NH1 ARG A 18 -1.238 -1.437 11.825 1.00 0.00 N ATOM 263 NH2 ARG A 18 -2.697 0.151 12.602 1.00 0.00 N ATOM 0 H ARG A 18 -4.537 -3.154 6.537 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.952 -2.055 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.575 -4.053 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.842 -4.065 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.834 -1.831 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.450 -1.514 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.387 -3.156 10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.773 -3.497 10.829 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.429 -1.221 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.054 -2.279 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.471 -0.957 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.640 0.535 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.925 0.625 13.070 1.00 0.00 H new ATOM 274 N VAL A 19 -0.324 -3.670 5.606 1.00 0.00 N ATOM 275 CA VAL A 19 0.574 -4.678 5.027 1.00 0.00 C ATOM 276 C VAL A 19 1.245 -5.448 6.167 1.00 0.00 C ATOM 277 O VAL A 19 1.317 -4.965 7.303 1.00 0.00 O ATOM 278 CB VAL A 19 1.573 -3.973 4.085 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.553 -4.915 3.370 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.882 -3.138 2.993 1.00 0.00 C ATOM 0 H VAL A 19 0.091 -2.754 5.775 1.00 0.00 H new ATOM 0 HA VAL A 19 0.033 -5.408 4.424 1.00 0.00 H new ATOM 0 HB VAL A 19 2.129 -3.333 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.216 -4.333 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.144 -5.455 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.995 -5.627 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.637 -2.667 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.253 -3.786 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.266 -2.368 3.458 1.00 0.00 H new ATOM 290 N GLN A 20 1.760 -6.632 5.858 1.00 0.00 N ATOM 291 CA GLN A 20 2.748 -7.375 6.611 1.00 0.00 C ATOM 292 C GLN A 20 3.831 -7.830 5.641 1.00 0.00 C ATOM 293 O GLN A 20 3.497 -8.129 4.503 1.00 0.00 O ATOM 294 CB GLN A 20 2.090 -8.596 7.260 1.00 0.00 C ATOM 295 CG GLN A 20 1.128 -8.137 8.372 1.00 0.00 C ATOM 296 CD GLN A 20 1.178 -9.047 9.592 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.259 -9.313 10.119 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.067 -9.531 10.105 1.00 0.00 N ATOM 0 H GLN A 20 1.474 -7.128 5.014 1.00 0.00 H new ATOM 0 HA GLN A 20 3.177 -6.752 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.546 -9.170 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.853 -9.255 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.380 -7.119 8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.111 -8.112 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.831 -9.314 9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.104 -10.123 10.935 1.00 0.00 H new ATOM 305 N GLY A 21 5.081 -7.955 6.094 1.00 0.00 N ATOM 306 CA GLY A 21 6.184 -8.510 5.321 1.00 0.00 C ATOM 307 C GLY A 21 6.938 -7.438 4.538 1.00 0.00 C ATOM 308 O GLY A 21 6.438 -6.343 4.317 1.00 0.00 O ATOM 0 H GLY A 21 5.356 -7.665 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.875 -9.020 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.799 -9.259 4.629 1.00 0.00 H new ATOM 312 N ASP A 22 8.154 -7.766 4.119 1.00 0.00 N ATOM 313 CA ASP A 22 8.941 -6.985 3.175 1.00 0.00 C ATOM 314 C ASP A 22 8.244 -7.031 1.815 1.00 0.00 C ATOM 315 O ASP A 22 7.540 -7.987 1.480 1.00 0.00 O ATOM 316 CB ASP A 22 10.370 -7.540 3.020 1.00 0.00 C ATOM 317 CG ASP A 22 11.296 -7.319 4.213 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.974 -6.540 5.141 1.00 0.00 O ATOM 319 OD2 ASP A 22 12.373 -7.964 4.241 1.00 0.00 O ATOM 0 H ASP A 22 8.633 -8.608 4.437 1.00 0.00 H new ATOM 0 HA ASP A 22 9.017 -5.965 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.306 -8.611 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.824 -7.084 2.141 1.00 0.00 H new ATOM 323 N ILE A 23 8.485 -6.013 1.003 1.00 0.00 N ATOM 324 CA ILE A 23 7.829 -5.799 -0.268 1.00 0.00 C ATOM 325 C ILE A 23 8.831 -5.872 -1.433 1.00 0.00 C ATOM 326 O ILE A 23 9.605 -4.950 -1.692 1.00 0.00 O ATOM 327 CB ILE A 23 6.981 -4.519 -0.167 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.335 -4.292 -1.521 1.00 0.00 C ATOM 329 CG2 ILE A 23 7.771 -3.242 0.139 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.101 -3.400 -1.439 1.00 0.00 C ATOM 0 H ILE A 23 9.169 -5.289 1.224 1.00 0.00 H new ATOM 0 HA ILE A 23 7.130 -6.602 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 23 6.285 -4.683 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.062 -3.839 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.056 -5.253 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.087 -2.395 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.285 -3.352 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.504 -3.070 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.679 -3.271 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.360 -3.863 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.381 -2.427 -1.035 1.00 0.00 H new ATOM 341 N ASP A 24 8.810 -6.996 -2.145 1.00 0.00 N ATOM 342 CA ASP A 24 9.850 -7.420 -3.076 1.00 0.00 C ATOM 343 C ASP A 24 9.275 -8.276 -4.210 1.00 0.00 C ATOM 344 O ASP A 24 8.057 -8.389 -4.347 1.00 0.00 O ATOM 345 CB ASP A 24 10.907 -8.224 -2.314 1.00 0.00 C ATOM 346 CG ASP A 24 10.359 -9.421 -1.542 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.294 -9.939 -1.936 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.038 -9.812 -0.563 1.00 0.00 O ATOM 0 H ASP A 24 8.039 -7.661 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 24 10.296 -6.530 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.657 -8.577 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.416 -7.560 -1.616 1.00 0.00 H new ATOM 352 N ALA A 25 10.145 -8.872 -5.031 1.00 0.00 N ATOM 353 CA ALA A 25 9.839 -9.775 -6.131 1.00 0.00 C ATOM 354 C ALA A 25 8.854 -10.896 -5.786 1.00 0.00 C ATOM 355 O ALA A 25 8.211 -11.413 -6.699 1.00 0.00 O ATOM 356 CB ALA A 25 11.146 -10.418 -6.612 1.00 0.00 C ATOM 0 H ALA A 25 11.149 -8.722 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 25 9.358 -9.166 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.935 -11.098 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.831 -9.640 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.602 -10.973 -5.792 1.00 0.00 H new ATOM 362 N TYR A 26 8.746 -11.304 -4.523 1.00 0.00 N ATOM 363 CA TYR A 26 7.842 -12.365 -4.102 1.00 0.00 C ATOM 364 C TYR A 26 6.465 -11.781 -3.792 1.00 0.00 C ATOM 365 O TYR A 26 5.433 -12.402 -4.056 1.00 0.00 O ATOM 366 CB TYR A 26 8.413 -13.044 -2.858 1.00 0.00 C ATOM 367 CG TYR A 26 9.913 -13.306 -2.870 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.528 -14.031 -3.907 1.00 0.00 C ATOM 369 CD2 TYR A 26 10.709 -12.786 -1.836 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.913 -14.275 -3.886 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.093 -13.007 -1.808 1.00 0.00 C ATOM 372 CZ TYR A 26 12.696 -13.784 -2.818 1.00 0.00 C ATOM 373 OH TYR A 26 14.025 -14.065 -2.753 1.00 0.00 O ATOM 0 H TYR A 26 9.289 -10.902 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 26 7.740 -13.098 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.179 -12.426 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.899 -13.995 -2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.931 -14.404 -4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.247 -12.207 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.376 -14.836 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.694 -12.584 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 26 14.409 -13.647 -1.954 1.00 0.00 H new ATOM 382 N ASN A 27 6.443 -10.543 -3.289 1.00 0.00 N ATOM 383 CA ASN A 27 5.232 -9.801 -3.004 1.00 0.00 C ATOM 384 C ASN A 27 4.685 -9.189 -4.289 1.00 0.00 C ATOM 385 O ASN A 27 3.538 -8.753 -4.351 1.00 0.00 O ATOM 386 CB ASN A 27 5.537 -8.693 -1.992 1.00 0.00 C ATOM 387 CG ASN A 27 4.253 -8.056 -1.494 1.00 0.00 C ATOM 388 OD1 ASN A 27 3.218 -8.693 -1.466 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.268 -6.809 -1.056 1.00 0.00 N ATOM 0 H ASN A 27 7.293 -10.025 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 27 4.486 -10.477 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.095 -9.105 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.170 -7.935 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.413 -6.385 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.134 -6.271 -1.078 1.00 0.00 H new ATOM 395 N SER A 28 5.504 -9.169 -5.343 1.00 0.00 N ATOM 396 CA SER A 28 5.164 -8.595 -6.626 1.00 0.00 C ATOM 397 C SER A 28 3.944 -9.235 -7.300 1.00 0.00 C ATOM 398 O SER A 28 3.465 -8.696 -8.297 1.00 0.00 O ATOM 399 CB SER A 28 6.371 -8.615 -7.568 1.00 0.00 C ATOM 400 OG SER A 28 6.961 -7.336 -7.685 1.00 0.00 O ATOM 0 H SER A 28 6.444 -9.564 -5.316 1.00 0.00 H new ATOM 0 HA SER A 28 4.880 -7.564 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.111 -9.325 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.059 -8.964 -8.552 1.00 0.00 H new ATOM 0 HG SER A 28 6.278 -6.647 -7.546 1.00 0.00 H new ATOM 405 N SER A 29 3.426 -10.345 -6.779 1.00 0.00 N ATOM 406 CA SER A 29 2.098 -10.823 -7.122 1.00 0.00 C ATOM 407 C SER A 29 1.198 -10.921 -5.902 1.00 0.00 C ATOM 408 O SER A 29 0.000 -10.755 -6.088 1.00 0.00 O ATOM 409 CB SER A 29 2.138 -12.115 -7.934 1.00 0.00 C ATOM 410 OG SER A 29 3.256 -12.930 -7.617 1.00 0.00 O ATOM 0 H SER A 29 3.918 -10.935 -6.108 1.00 0.00 H new ATOM 0 HA SER A 29 1.650 -10.074 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.222 -12.678 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.162 -11.871 -8.996 1.00 0.00 H new ATOM 0 HG SER A 29 3.233 -13.744 -8.163 1.00 0.00 H new ATOM 415 N GLU A 30 1.740 -11.127 -4.696 1.00 0.00 N ATOM 416 CA GLU A 30 0.957 -11.344 -3.489 1.00 0.00 C ATOM 417 C GLU A 30 0.122 -10.099 -3.187 1.00 0.00 C ATOM 418 O GLU A 30 -1.074 -10.076 -3.465 1.00 0.00 O ATOM 419 CB GLU A 30 1.870 -11.739 -2.310 1.00 0.00 C ATOM 420 CG GLU A 30 1.300 -12.915 -1.510 1.00 0.00 C ATOM 421 CD GLU A 30 1.963 -14.227 -1.920 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.883 -14.594 -3.115 1.00 0.00 O ATOM 423 OE2 GLU A 30 2.608 -14.859 -1.048 1.00 0.00 O ATOM 0 H GLU A 30 2.747 -11.147 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 30 0.270 -12.176 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.857 -12.003 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.001 -10.881 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.453 -12.743 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.224 -12.981 -1.671 1.00 0.00 H new ATOM 428 N LEU A 31 0.732 -9.023 -2.677 1.00 0.00 N ATOM 429 CA LEU A 31 0.013 -7.797 -2.365 1.00 0.00 C ATOM 430 C LEU A 31 -0.679 -7.213 -3.592 1.00 0.00 C ATOM 431 O LEU A 31 -1.736 -6.602 -3.464 1.00 0.00 O ATOM 432 CB LEU A 31 0.978 -6.771 -1.757 1.00 0.00 C ATOM 433 CG LEU A 31 0.301 -5.468 -1.330 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.779 -5.758 -0.298 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.352 -4.517 -0.752 1.00 0.00 C ATOM 0 H LEU A 31 1.731 -8.984 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.765 -8.040 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.469 -7.216 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.758 -6.544 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.167 -4.998 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.256 -4.825 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.525 -6.425 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.330 -6.232 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.872 -3.587 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.827 -4.981 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.106 -4.305 -1.510 1.00 0.00 H new ATOM 446 N LYS A 32 -0.098 -7.405 -4.779 1.00 0.00 N ATOM 447 CA LYS A 32 -0.719 -6.994 -6.032 1.00 0.00 C ATOM 448 C LYS A 32 -2.101 -7.634 -6.148 1.00 0.00 C ATOM 449 O LYS A 32 -3.080 -6.901 -6.267 1.00 0.00 O ATOM 450 CB LYS A 32 0.189 -7.386 -7.221 1.00 0.00 C ATOM 451 CG LYS A 32 -0.213 -6.532 -8.439 1.00 0.00 C ATOM 452 CD LYS A 32 0.612 -6.842 -9.692 1.00 0.00 C ATOM 453 CE LYS A 32 2.064 -6.382 -9.531 1.00 0.00 C ATOM 454 NZ LYS A 32 2.913 -6.831 -10.652 1.00 0.00 N ATOM 0 H LYS A 32 0.813 -7.849 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.842 -5.911 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.237 -7.220 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.080 -8.446 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.268 -6.696 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.099 -5.477 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.588 -7.914 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.166 -6.348 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.095 -5.294 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.465 -6.769 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.561 -6.065 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.464 -7.663 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.313 -7.082 -11.463 1.00 0.00 H new ATOM 464 N GLU A 33 -2.192 -8.966 -6.104 1.00 0.00 N ATOM 465 CA GLU A 33 -3.442 -9.711 -6.205 1.00 0.00 C ATOM 466 C GLU A 33 -4.349 -9.345 -5.056 1.00 0.00 C ATOM 467 O GLU A 33 -5.509 -9.001 -5.268 1.00 0.00 O ATOM 468 CB GLU A 33 -3.205 -11.222 -6.202 1.00 0.00 C ATOM 469 CG GLU A 33 -3.056 -11.713 -7.638 1.00 0.00 C ATOM 470 CD GLU A 33 -2.526 -13.141 -7.748 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.601 -13.916 -6.764 1.00 0.00 O ATOM 472 OE2 GLU A 33 -2.065 -13.493 -8.857 1.00 0.00 O ATOM 0 H GLU A 33 -1.376 -9.568 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.910 -9.444 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.308 -11.460 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.037 -11.731 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.025 -11.655 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.383 -11.043 -8.173 1.00 0.00 H new ATOM 477 N GLN A 34 -3.814 -9.388 -3.839 1.00 0.00 N ATOM 478 CA GLN A 34 -4.585 -9.221 -2.623 1.00 0.00 C ATOM 479 C GLN A 34 -5.129 -7.788 -2.511 1.00 0.00 C ATOM 480 O GLN A 34 -5.933 -7.525 -1.620 1.00 0.00 O ATOM 481 CB GLN A 34 -3.728 -9.637 -1.414 1.00 0.00 C ATOM 482 CG GLN A 34 -3.153 -11.073 -1.487 1.00 0.00 C ATOM 483 CD GLN A 34 -3.974 -12.129 -0.744 1.00 0.00 C ATOM 484 OE1 GLN A 34 -5.192 -12.029 -0.607 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.347 -13.165 -0.207 1.00 0.00 N ATOM 0 H GLN A 34 -2.819 -9.542 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.459 -9.872 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.901 -8.934 -1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.332 -9.548 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.073 -11.365 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.142 -11.066 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.337 -13.261 -0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.874 -13.867 0.312 1.00 0.00 H new ATOM 492 N LEU A 35 -4.743 -6.879 -3.419 1.00 0.00 N ATOM 493 CA LEU A 35 -5.346 -5.569 -3.600 1.00 0.00 C ATOM 494 C LEU A 35 -6.175 -5.506 -4.858 1.00 0.00 C ATOM 495 O LEU A 35 -7.294 -5.110 -4.685 1.00 0.00 O ATOM 496 CB LEU A 35 -4.328 -4.457 -3.690 1.00 0.00 C ATOM 497 CG LEU A 35 -3.763 -4.025 -2.333 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.475 -3.220 -2.492 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.793 -3.166 -1.575 1.00 0.00 C ATOM 0 H LEU A 35 -3.974 -7.052 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.966 -5.427 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.506 -4.780 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.787 -3.595 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.544 -4.932 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.103 -2.931 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.726 -3.828 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.675 -2.326 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.379 -2.866 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.028 -2.278 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.702 -3.746 -1.414 1.00 0.00 H new ATOM 510 N ARG A 36 -5.754 -5.810 -6.094 1.00 0.00 N ATOM 511 CA ARG A 36 -6.668 -5.740 -7.251 1.00 0.00 C ATOM 512 C ARG A 36 -7.946 -6.535 -6.987 1.00 0.00 C ATOM 513 O ARG A 36 -9.038 -6.094 -7.343 1.00 0.00 O ATOM 514 CB ARG A 36 -5.979 -6.204 -8.551 1.00 0.00 C ATOM 515 CG ARG A 36 -5.459 -7.647 -8.485 1.00 0.00 C ATOM 516 CD ARG A 36 -4.554 -8.057 -9.653 1.00 0.00 C ATOM 517 NE ARG A 36 -5.323 -8.604 -10.777 1.00 0.00 N ATOM 518 CZ ARG A 36 -4.836 -9.321 -11.793 1.00 0.00 C ATOM 519 NH1 ARG A 36 -3.552 -9.663 -11.844 1.00 0.00 N ATOM 520 NH2 ARG A 36 -5.649 -9.697 -12.771 1.00 0.00 N ATOM 0 H ARG A 36 -4.803 -6.102 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.944 -4.695 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.684 -6.117 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.147 -5.536 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.908 -7.778 -7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.312 -8.325 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.983 -7.192 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.834 -8.800 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.326 -8.419 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.918 -9.377 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.201 -10.211 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.635 -9.438 -12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.288 -10.245 -13.552 1.00 0.00 H new ATOM 531 N ASN A 37 -7.814 -7.668 -6.293 1.00 0.00 N ATOM 532 CA ASN A 37 -8.921 -8.520 -5.948 1.00 0.00 C ATOM 533 C ASN A 37 -9.796 -7.801 -4.928 1.00 0.00 C ATOM 534 O ASN A 37 -11.018 -7.758 -5.069 1.00 0.00 O ATOM 535 CB ASN A 37 -8.414 -9.875 -5.414 1.00 0.00 C ATOM 536 CG ASN A 37 -9.584 -10.783 -5.069 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.490 -10.955 -5.876 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.626 -11.373 -3.893 1.00 0.00 N ATOM 0 H ASN A 37 -6.915 -8.012 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.520 -8.732 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.783 -10.354 -6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.796 -9.716 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.414 -11.975 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.871 -11.229 -3.223 1.00 0.00 H new ATOM 544 N PHE A 38 -9.171 -7.211 -3.906 1.00 0.00 N ATOM 545 CA PHE A 38 -9.864 -6.481 -2.876 1.00 0.00 C ATOM 546 C PHE A 38 -10.442 -5.161 -3.371 1.00 0.00 C ATOM 547 O PHE A 38 -11.556 -4.864 -2.987 1.00 0.00 O ATOM 548 CB PHE A 38 -8.942 -6.295 -1.680 1.00 0.00 C ATOM 549 CG PHE A 38 -9.472 -5.444 -0.543 1.00 0.00 C ATOM 550 CD1 PHE A 38 -9.252 -4.056 -0.562 1.00 0.00 C ATOM 551 CD2 PHE A 38 -10.075 -6.041 0.581 1.00 0.00 C ATOM 552 CE1 PHE A 38 -9.653 -3.264 0.523 1.00 0.00 C ATOM 553 CE2 PHE A 38 -10.493 -5.242 1.663 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.287 -3.854 1.629 1.00 0.00 C ATOM 0 H PHE A 38 -8.159 -7.235 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.728 -7.069 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.696 -7.280 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.011 -5.851 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.773 -3.598 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.217 -7.111 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.474 -2.199 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.971 -5.697 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.616 -3.239 2.454 1.00 0.00 H new ATOM 563 N ILE A 39 -9.765 -4.370 -4.203 1.00 0.00 N ATOM 564 CA ILE A 39 -10.294 -3.175 -4.869 1.00 0.00 C ATOM 565 C ILE A 39 -11.634 -3.428 -5.579 1.00 0.00 C ATOM 566 O ILE A 39 -12.453 -2.508 -5.629 1.00 0.00 O ATOM 567 CB ILE A 39 -9.205 -2.621 -5.820 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.446 -1.413 -5.222 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.673 -2.211 -7.224 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.507 -1.763 -4.067 1.00 0.00 C ATOM 0 H ILE A 39 -8.790 -4.551 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.527 -2.422 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.554 -3.489 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.867 -0.936 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.173 -0.680 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.823 -1.839 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.102 -3.075 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.426 -1.427 -7.142 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.017 -0.857 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.080 -2.210 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.754 -2.471 -4.412 1.00 0.00 H new ATOM 581 N SER A 40 -11.876 -4.629 -6.123 1.00 0.00 N ATOM 582 CA SER A 40 -13.196 -4.980 -6.637 1.00 0.00 C ATOM 583 C SER A 40 -14.186 -5.018 -5.472 1.00 0.00 C ATOM 584 O SER A 40 -15.205 -4.323 -5.476 1.00 0.00 O ATOM 585 CB SER A 40 -13.114 -6.306 -7.405 1.00 0.00 C ATOM 586 OG SER A 40 -14.380 -6.760 -7.845 1.00 0.00 O ATOM 0 H SER A 40 -11.176 -5.365 -6.216 1.00 0.00 H new ATOM 0 HA SER A 40 -13.554 -4.232 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.457 -6.183 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.662 -7.064 -6.766 1.00 0.00 H new ATOM 0 HG SER A 40 -14.274 -7.605 -8.329 1.00 0.00 H new ATOM 591 N THR A 41 -13.884 -5.816 -4.454 1.00 0.00 N ATOM 592 CA THR A 41 -14.750 -6.057 -3.328 1.00 0.00 C ATOM 593 C THR A 41 -14.972 -4.797 -2.480 1.00 0.00 C ATOM 594 O THR A 41 -16.089 -4.604 -1.987 1.00 0.00 O ATOM 595 CB THR A 41 -14.143 -7.221 -2.544 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.881 -8.303 -3.421 1.00 0.00 O ATOM 597 CG2 THR A 41 -15.033 -7.703 -1.406 1.00 0.00 C ATOM 0 H THR A 41 -13.001 -6.324 -4.397 1.00 0.00 H new ATOM 0 HA THR A 41 -15.753 -6.324 -3.661 1.00 0.00 H new ATOM 0 HB THR A 41 -13.219 -6.851 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.491 -9.046 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.546 -8.530 -0.889 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.202 -6.886 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.989 -8.039 -1.809 1.00 0.00 H new ATOM 605 N THR A 42 -13.956 -3.942 -2.313 1.00 0.00 N ATOM 606 CA THR A 42 -13.890 -2.984 -1.222 1.00 0.00 C ATOM 607 C THR A 42 -15.113 -2.070 -1.231 1.00 0.00 C ATOM 608 O THR A 42 -15.358 -1.310 -2.172 1.00 0.00 O ATOM 609 CB THR A 42 -12.531 -2.258 -1.190 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.384 -1.471 -0.023 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.273 -1.338 -2.381 1.00 0.00 C ATOM 0 H THR A 42 -13.153 -3.902 -2.941 1.00 0.00 H new ATOM 0 HA THR A 42 -13.936 -3.515 -0.271 1.00 0.00 H new ATOM 0 HB THR A 42 -11.809 -3.074 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.588 -1.762 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.294 -0.870 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.298 -1.920 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.042 -0.566 -2.418 1.00 0.00 H new ATOM 619 N SER A 43 -15.913 -2.172 -0.171 1.00 0.00 N ATOM 620 CA SER A 43 -17.064 -1.321 0.044 1.00 0.00 C ATOM 621 C SER A 43 -16.635 0.137 0.193 1.00 0.00 C ATOM 622 O SER A 43 -17.418 1.042 -0.073 1.00 0.00 O ATOM 623 CB SER A 43 -17.843 -1.863 1.255 1.00 0.00 C ATOM 624 OG SER A 43 -17.791 -1.091 2.436 1.00 0.00 O ATOM 0 H SER A 43 -15.771 -2.860 0.568 1.00 0.00 H new ATOM 0 HA SER A 43 -17.731 -1.338 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.888 -1.974 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.468 -2.861 1.483 1.00 0.00 H new ATOM 0 HG SER A 43 -18.505 -1.375 3.044 1.00 0.00 H new ATOM 629 N LYS A 44 -15.402 0.394 0.632 1.00 0.00 N ATOM 630 CA LYS A 44 -14.934 1.716 1.028 1.00 0.00 C ATOM 631 C LYS A 44 -14.069 2.313 -0.057 1.00 0.00 C ATOM 632 O LYS A 44 -13.801 1.662 -1.070 1.00 0.00 O ATOM 633 CB LYS A 44 -14.279 1.562 2.399 1.00 0.00 C ATOM 634 CG LYS A 44 -15.418 1.369 3.418 1.00 0.00 C ATOM 635 CD LYS A 44 -14.924 0.804 4.741 1.00 0.00 C ATOM 636 CE LYS A 44 -16.090 0.343 5.632 1.00 0.00 C ATOM 637 NZ LYS A 44 -16.819 -0.840 5.108 1.00 0.00 N ATOM 0 H LYS A 44 -14.688 -0.329 0.723 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.740 2.442 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.602 0.708 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.686 2.443 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.909 2.326 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.168 0.699 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.256 -0.036 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.342 1.562 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.705 0.109 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.793 1.168 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.640 -1.039 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.144 -0.646 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.185 -1.664 5.102 1.00 0.00 H new ATOM 647 N LYS A 45 -13.710 3.584 0.099 1.00 0.00 N ATOM 648 CA LYS A 45 -12.975 4.304 -0.929 1.00 0.00 C ATOM 649 C LYS A 45 -11.627 4.772 -0.467 1.00 0.00 C ATOM 650 O LYS A 45 -10.728 4.789 -1.300 1.00 0.00 O ATOM 651 CB LYS A 45 -13.807 5.450 -1.503 1.00 0.00 C ATOM 652 CG LYS A 45 -14.806 4.855 -2.493 1.00 0.00 C ATOM 653 CD LYS A 45 -15.464 5.928 -3.356 1.00 0.00 C ATOM 654 CE LYS A 45 -16.371 5.224 -4.370 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.291 6.161 -5.029 1.00 0.00 N ATOM 0 H LYS A 45 -13.918 4.136 0.931 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.785 3.592 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.329 5.979 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.164 6.177 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.296 4.136 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.574 4.307 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.043 6.614 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.708 6.523 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.757 4.729 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.945 4.447 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.886 5.644 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.895 6.615 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.744 6.888 -5.533 1.00 0.00 H new ATOM 665 N LYS A 46 -11.415 5.088 0.812 1.00 0.00 N ATOM 666 CA LYS A 46 -10.013 5.188 1.225 1.00 0.00 C ATOM 667 C LYS A 46 -9.421 3.807 1.225 1.00 0.00 C ATOM 668 O LYS A 46 -10.066 2.924 1.762 1.00 0.00 O ATOM 669 CB LYS A 46 -9.781 5.943 2.536 1.00 0.00 C ATOM 670 CG LYS A 46 -9.032 7.257 2.306 1.00 0.00 C ATOM 671 CD LYS A 46 -9.862 8.345 1.622 1.00 0.00 C ATOM 672 CE LYS A 46 -10.896 8.918 2.595 1.00 0.00 C ATOM 673 NZ LYS A 46 -11.537 10.129 2.053 1.00 0.00 N ATOM 0 H LYS A 46 -12.123 5.265 1.524 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.493 5.813 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.740 6.149 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.213 5.315 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.681 7.634 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.148 7.056 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.208 9.141 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.365 7.932 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.656 8.165 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.413 9.154 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.231 10.490 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.814 10.855 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.019 9.897 1.161 1.00 0.00 H new ATOM 683 N ILE A 47 -8.229 3.626 0.669 1.00 0.00 N ATOM 684 CA ILE A 47 -7.472 2.398 0.833 1.00 0.00 C ATOM 685 C ILE A 47 -6.186 2.843 1.538 1.00 0.00 C ATOM 686 O ILE A 47 -5.365 3.536 0.937 1.00 0.00 O ATOM 687 CB ILE A 47 -7.282 1.631 -0.500 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.513 1.613 -1.446 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.876 0.184 -0.172 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.762 0.874 -0.958 1.00 0.00 C ATOM 0 H ILE A 47 -7.763 4.327 0.093 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.987 1.648 1.433 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.511 2.172 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.792 2.645 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.205 1.167 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.737 -0.374 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.944 0.187 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.659 -0.288 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.543 0.941 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.518 -0.173 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.115 1.328 -0.032 1.00 0.00 H new ATOM 701 N VAL A 48 -6.098 2.578 2.844 1.00 0.00 N ATOM 702 CA VAL A 48 -5.087 3.105 3.770 1.00 0.00 C ATOM 703 C VAL A 48 -4.080 2.003 4.032 1.00 0.00 C ATOM 704 O VAL A 48 -4.437 0.987 4.622 1.00 0.00 O ATOM 705 CB VAL A 48 -5.768 3.534 5.094 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.819 4.104 6.153 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.956 4.470 4.855 1.00 0.00 C ATOM 0 H VAL A 48 -6.762 1.959 3.309 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.589 3.975 3.343 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.142 2.601 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.387 4.375 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.073 3.354 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.321 4.989 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.401 4.744 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.613 5.369 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.700 3.964 4.240 1.00 0.00 H new ATOM 717 N LEU A 49 -2.847 2.152 3.570 1.00 0.00 N ATOM 718 CA LEU A 49 -1.922 1.037 3.491 1.00 0.00 C ATOM 719 C LEU A 49 -0.730 1.253 4.394 1.00 0.00 C ATOM 720 O LEU A 49 0.116 2.087 4.136 1.00 0.00 O ATOM 721 CB LEU A 49 -1.583 0.778 2.024 1.00 0.00 C ATOM 722 CG LEU A 49 -2.580 -0.242 1.444 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.297 0.307 0.223 1.00 0.00 C ATOM 724 CD2 LEU A 49 -1.931 -1.597 1.160 1.00 0.00 C ATOM 0 H LEU A 49 -2.465 3.040 3.243 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.381 0.124 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.627 1.709 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.565 0.399 1.935 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.333 -0.415 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.992 -0.441 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.847 1.207 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.567 0.550 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.677 -2.279 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.123 -1.470 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.529 -2.009 2.086 1.00 0.00 H new ATOM 735 N ASP A 50 -0.700 0.524 5.495 1.00 0.00 N ATOM 736 CA ASP A 50 0.315 0.626 6.554 1.00 0.00 C ATOM 737 C ASP A 50 1.600 -0.075 6.170 1.00 0.00 C ATOM 738 O ASP A 50 1.479 -1.227 5.745 1.00 0.00 O ATOM 739 CB ASP A 50 -0.173 -0.226 7.710 1.00 0.00 C ATOM 740 CG ASP A 50 0.850 -0.721 8.739 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.458 0.103 9.448 1.00 0.00 O ATOM 742 OD2 ASP A 50 0.997 -1.955 8.873 1.00 0.00 O ATOM 0 H ASP A 50 -1.405 -0.186 5.693 1.00 0.00 H new ATOM 0 HA ASP A 50 0.473 1.685 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.931 0.345 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.670 -1.100 7.290 1.00 0.00 H new ATOM 746 N LEU A 51 2.789 0.486 6.446 1.00 0.00 N ATOM 747 CA LEU A 51 4.044 -0.179 6.199 1.00 0.00 C ATOM 748 C LEU A 51 4.940 -0.427 7.409 1.00 0.00 C ATOM 749 O LEU A 51 6.160 -0.538 7.276 1.00 0.00 O ATOM 750 CB LEU A 51 4.799 0.484 5.051 1.00 0.00 C ATOM 751 CG LEU A 51 4.106 0.521 3.689 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.681 -0.844 3.134 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.960 1.501 3.519 1.00 0.00 C ATOM 0 H LEU A 51 2.889 1.418 6.848 1.00 0.00 H new ATOM 0 HA LEU A 51 3.753 -1.188 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.025 1.509 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.752 -0.031 4.931 1.00 0.00 H new ATOM 0 HG LEU A 51 4.934 0.905 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.199 -0.709 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.559 -1.479 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.982 -1.316 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.561 1.422 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.174 1.270 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.321 2.516 3.689 1.00 0.00 H new ATOM 764 N SER A 52 4.366 -0.529 8.598 1.00 0.00 N ATOM 765 CA SER A 52 5.133 -0.751 9.804 1.00 0.00 C ATOM 766 C SER A 52 5.894 -2.086 9.782 1.00 0.00 C ATOM 767 O SER A 52 7.003 -2.157 10.326 1.00 0.00 O ATOM 768 CB SER A 52 4.163 -0.570 10.966 1.00 0.00 C ATOM 769 OG SER A 52 4.584 -1.105 12.207 1.00 0.00 O ATOM 0 H SER A 52 3.360 -0.460 8.749 1.00 0.00 H new ATOM 0 HA SER A 52 5.944 -0.030 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.975 0.496 11.096 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.212 -1.030 10.697 1.00 0.00 H new ATOM 0 HG SER A 52 3.897 -0.937 12.885 1.00 0.00 H new ATOM 774 N SER A 53 5.359 -3.130 9.138 1.00 0.00 N ATOM 775 CA SER A 53 5.990 -4.446 9.058 1.00 0.00 C ATOM 776 C SER A 53 6.975 -4.536 7.898 1.00 0.00 C ATOM 777 O SER A 53 7.676 -5.545 7.775 1.00 0.00 O ATOM 778 CB SER A 53 4.924 -5.541 8.922 1.00 0.00 C ATOM 779 OG SER A 53 4.658 -6.165 10.168 1.00 0.00 O ATOM 0 H SER A 53 4.463 -3.080 8.652 1.00 0.00 H new ATOM 0 HA SER A 53 6.549 -4.594 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.005 -5.108 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.259 -6.289 8.203 1.00 0.00 H new ATOM 0 HG SER A 53 3.974 -6.856 10.048 1.00 0.00 H new ATOM 784 N VAL A 54 7.017 -3.528 7.034 1.00 0.00 N ATOM 785 CA VAL A 54 7.798 -3.584 5.825 1.00 0.00 C ATOM 786 C VAL A 54 9.161 -2.989 6.152 1.00 0.00 C ATOM 787 O VAL A 54 9.352 -1.769 6.169 1.00 0.00 O ATOM 788 CB VAL A 54 7.066 -2.855 4.696 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.858 -3.054 3.408 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.616 -3.348 4.535 1.00 0.00 C ATOM 0 H VAL A 54 6.507 -2.654 7.161 1.00 0.00 H new ATOM 0 HA VAL A 54 7.939 -4.604 5.469 1.00 0.00 H new ATOM 0 HB VAL A 54 7.002 -1.794 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.354 -2.542 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.860 -2.644 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.926 -4.118 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.135 -2.803 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.617 -4.414 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.068 -3.176 5.462 1.00 0.00 H new ATOM 800 N SER A 55 10.117 -3.861 6.443 1.00 0.00 N ATOM 801 CA SER A 55 11.461 -3.445 6.769 1.00 0.00 C ATOM 802 C SER A 55 12.346 -3.274 5.536 1.00 0.00 C ATOM 803 O SER A 55 13.403 -2.637 5.635 1.00 0.00 O ATOM 804 CB SER A 55 12.050 -4.446 7.735 1.00 0.00 C ATOM 805 OG SER A 55 11.462 -4.306 9.019 1.00 0.00 O ATOM 0 H SER A 55 9.977 -4.871 6.458 1.00 0.00 H new ATOM 0 HA SER A 55 11.415 -2.459 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.888 -5.458 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.128 -4.301 7.805 1.00 0.00 H new ATOM 0 HG SER A 55 11.854 -4.963 9.632 1.00 0.00 H new ATOM 810 N TYR A 56 11.947 -3.796 4.379 1.00 0.00 N ATOM 811 CA TYR A 56 12.607 -3.559 3.123 1.00 0.00 C ATOM 812 C TYR A 56 11.573 -3.426 2.023 1.00 0.00 C ATOM 813 O TYR A 56 10.548 -4.110 2.043 1.00 0.00 O ATOM 814 CB TYR A 56 13.528 -4.740 2.852 1.00 0.00 C ATOM 815 CG TYR A 56 14.161 -4.683 1.491 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.131 -3.709 1.215 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.719 -5.553 0.485 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.698 -3.627 -0.065 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.284 -5.480 -0.802 1.00 0.00 C ATOM 820 CZ TYR A 56 15.277 -4.512 -1.079 1.00 0.00 C ATOM 821 OH TYR A 56 15.874 -4.441 -2.299 1.00 0.00 O ATOM 0 H TYR A 56 11.135 -4.408 4.300 1.00 0.00 H new ATOM 0 HA TYR A 56 13.187 -2.636 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.310 -4.767 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.961 -5.666 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.442 -3.022 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.947 -6.278 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.456 -2.887 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.960 -6.161 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 56 15.481 -5.112 -2.895 1.00 0.00 H new ATOM 830 N MET A 57 11.891 -2.574 1.053 1.00 0.00 N ATOM 831 CA MET A 57 11.143 -2.351 -0.159 1.00 0.00 C ATOM 832 C MET A 57 12.156 -2.335 -1.285 1.00 0.00 C ATOM 833 O MET A 57 13.201 -1.693 -1.164 1.00 0.00 O ATOM 834 CB MET A 57 10.393 -1.017 -0.055 1.00 0.00 C ATOM 835 CG MET A 57 9.634 -0.610 -1.323 1.00 0.00 C ATOM 836 SD MET A 57 8.793 0.986 -1.202 1.00 0.00 S ATOM 837 CE MET A 57 7.597 0.670 -2.509 1.00 0.00 C ATOM 0 H MET A 57 12.727 -1.992 1.104 1.00 0.00 H new ATOM 0 HA MET A 57 10.397 -3.126 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.686 -1.077 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.108 -0.232 0.192 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.334 -0.577 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.898 -1.380 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.733 1.322 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.056 0.868 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.276 -0.371 -2.465 1.00 0.00 H new ATOM 845 N ASP A 58 11.832 -3.017 -2.375 1.00 0.00 N ATOM 846 CA ASP A 58 12.558 -2.898 -3.628 1.00 0.00 C ATOM 847 C ASP A 58 11.724 -2.090 -4.624 1.00 0.00 C ATOM 848 O ASP A 58 10.536 -1.844 -4.391 1.00 0.00 O ATOM 849 CB ASP A 58 12.863 -4.301 -4.164 1.00 0.00 C ATOM 850 CG ASP A 58 13.873 -4.265 -5.306 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.812 -3.437 -5.251 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.745 -5.084 -6.242 1.00 0.00 O ATOM 0 H ASP A 58 11.052 -3.673 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 58 13.502 -2.375 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.250 -4.922 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.940 -4.766 -4.510 1.00 0.00 H new ATOM 856 N SER A 59 12.292 -1.759 -5.786 1.00 0.00 N ATOM 857 CA SER A 59 11.533 -1.226 -6.917 1.00 0.00 C ATOM 858 C SER A 59 10.363 -2.134 -7.319 1.00 0.00 C ATOM 859 O SER A 59 9.373 -1.630 -7.854 1.00 0.00 O ATOM 860 CB SER A 59 12.464 -0.998 -8.112 1.00 0.00 C ATOM 861 OG SER A 59 12.884 0.353 -8.157 1.00 0.00 O ATOM 0 H SER A 59 13.291 -1.853 -5.968 1.00 0.00 H new ATOM 0 HA SER A 59 11.104 -0.275 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.332 -1.653 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.949 -1.257 -9.037 1.00 0.00 H new ATOM 0 HG SER A 59 13.480 0.485 -8.924 1.00 0.00 H new ATOM 866 N ALA A 60 10.425 -3.428 -6.979 1.00 0.00 N ATOM 867 CA ALA A 60 9.357 -4.382 -7.182 1.00 0.00 C ATOM 868 C ALA A 60 8.116 -3.899 -6.450 1.00 0.00 C ATOM 869 O ALA A 60 7.014 -3.890 -6.995 1.00 0.00 O ATOM 870 CB ALA A 60 9.838 -5.730 -6.646 1.00 0.00 C ATOM 0 H ALA A 60 11.250 -3.840 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 60 9.101 -4.485 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.055 -6.476 -6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.732 -6.039 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.070 -5.638 -5.585 1.00 0.00 H new ATOM 876 N GLY A 61 8.317 -3.453 -5.212 1.00 0.00 N ATOM 877 CA GLY A 61 7.299 -2.904 -4.358 1.00 0.00 C ATOM 878 C GLY A 61 6.646 -1.690 -4.952 1.00 0.00 C ATOM 879 O GLY A 61 5.426 -1.570 -4.951 1.00 0.00 O ATOM 0 H GLY A 61 9.236 -3.471 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.541 -3.664 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.739 -2.642 -3.395 1.00 0.00 H new ATOM 883 N LEU A 62 7.480 -0.780 -5.437 1.00 0.00 N ATOM 884 CA LEU A 62 7.047 0.470 -6.023 1.00 0.00 C ATOM 885 C LEU A 62 6.100 0.136 -7.176 1.00 0.00 C ATOM 886 O LEU A 62 4.937 0.532 -7.143 1.00 0.00 O ATOM 887 CB LEU A 62 8.298 1.323 -6.324 1.00 0.00 C ATOM 888 CG LEU A 62 8.531 1.790 -7.769 1.00 0.00 C ATOM 889 CD1 LEU A 62 7.365 2.650 -8.248 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.825 2.602 -7.802 1.00 0.00 C ATOM 0 H LEU A 62 8.493 -0.897 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 62 6.456 1.109 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.256 2.209 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.173 0.751 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 62 8.606 0.926 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.547 2.972 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.444 2.069 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.270 3.525 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.013 2.946 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.731 3.463 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.655 1.978 -7.471 1.00 0.00 H new ATOM 901 N GLY A 63 6.564 -0.674 -8.126 1.00 0.00 N ATOM 902 CA GLY A 63 5.821 -1.196 -9.269 1.00 0.00 C ATOM 903 C GLY A 63 4.602 -2.055 -8.903 1.00 0.00 C ATOM 904 O GLY A 63 3.772 -2.324 -9.776 1.00 0.00 O ATOM 0 H GLY A 63 7.529 -1.003 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.488 -0.358 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.497 -1.791 -9.883 1.00 0.00 H new ATOM 908 N THR A 64 4.466 -2.467 -7.640 1.00 0.00 N ATOM 909 CA THR A 64 3.372 -3.285 -7.124 1.00 0.00 C ATOM 910 C THR A 64 2.374 -2.432 -6.353 1.00 0.00 C ATOM 911 O THR A 64 1.234 -2.853 -6.181 1.00 0.00 O ATOM 912 CB THR A 64 3.949 -4.418 -6.254 1.00 0.00 C ATOM 913 OG1 THR A 64 4.727 -5.211 -7.119 1.00 0.00 O ATOM 914 CG2 THR A 64 2.910 -5.290 -5.542 1.00 0.00 C ATOM 0 H THR A 64 5.147 -2.227 -6.919 1.00 0.00 H new ATOM 0 HA THR A 64 2.829 -3.732 -7.957 1.00 0.00 H new ATOM 0 HB THR A 64 4.518 -3.966 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.545 -4.728 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.418 -6.057 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.306 -4.669 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.266 -5.766 -6.282 1.00 0.00 H new ATOM 922 N LEU A 65 2.748 -1.221 -5.951 1.00 0.00 N ATOM 923 CA LEU A 65 1.875 -0.256 -5.316 1.00 0.00 C ATOM 924 C LEU A 65 1.336 0.692 -6.371 1.00 0.00 C ATOM 925 O LEU A 65 0.127 0.865 -6.444 1.00 0.00 O ATOM 926 CB LEU A 65 2.654 0.507 -4.240 1.00 0.00 C ATOM 927 CG LEU A 65 2.846 -0.315 -2.952 1.00 0.00 C ATOM 928 CD1 LEU A 65 4.037 0.248 -2.176 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.591 -0.270 -2.073 1.00 0.00 C ATOM 0 H LEU A 65 3.702 -0.879 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 65 1.036 -0.762 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.630 0.790 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.127 1.431 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 65 3.029 -1.354 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.181 -0.328 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.935 0.184 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.846 1.290 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.757 -0.859 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.377 0.763 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.746 -0.681 -2.625 1.00 0.00 H new ATOM 940 N VAL A 66 2.182 1.299 -7.208 1.00 0.00 N ATOM 941 CA VAL A 66 1.750 2.302 -8.178 1.00 0.00 C ATOM 942 C VAL A 66 0.747 1.728 -9.198 1.00 0.00 C ATOM 943 O VAL A 66 -0.163 2.432 -9.632 1.00 0.00 O ATOM 944 CB VAL A 66 3.016 2.936 -8.790 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.717 1.996 -9.763 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.740 4.295 -9.447 1.00 0.00 C ATOM 0 H VAL A 66 3.184 1.107 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 66 1.180 3.095 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 66 3.691 3.114 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.602 2.486 -10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.013 1.086 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.038 1.743 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.666 4.694 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.009 4.171 -10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.348 4.987 -8.701 1.00 0.00 H new ATOM 956 N VAL A 67 0.848 0.435 -9.524 1.00 0.00 N ATOM 957 CA VAL A 67 -0.139 -0.317 -10.302 1.00 0.00 C ATOM 958 C VAL A 67 -1.537 -0.204 -9.680 1.00 0.00 C ATOM 959 O VAL A 67 -2.506 0.008 -10.413 1.00 0.00 O ATOM 960 CB VAL A 67 0.368 -1.764 -10.496 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.436 -2.523 -9.186 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.466 -2.580 -11.479 1.00 0.00 C ATOM 0 H VAL A 67 1.646 -0.135 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.250 0.112 -11.298 1.00 0.00 H new ATOM 0 HB VAL A 67 1.368 -1.644 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.797 -3.535 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.117 -2.013 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.557 -2.568 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.050 -3.584 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.493 -2.642 -11.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.451 -2.098 -12.456 1.00 0.00 H new ATOM 972 N ILE A 68 -1.629 -0.269 -8.348 1.00 0.00 N ATOM 973 CA ILE A 68 -2.871 -0.217 -7.594 1.00 0.00 C ATOM 974 C ILE A 68 -3.488 1.180 -7.685 1.00 0.00 C ATOM 975 O ILE A 68 -4.692 1.293 -7.511 1.00 0.00 O ATOM 976 CB ILE A 68 -2.659 -0.651 -6.122 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.890 -1.985 -5.968 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.991 -0.713 -5.347 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.613 -3.245 -6.440 1.00 0.00 C ATOM 0 H ILE A 68 -0.808 -0.363 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.570 -0.927 -8.036 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.030 0.126 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.952 -1.904 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.634 -2.112 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.800 -1.021 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.460 0.271 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.656 -1.433 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.973 -4.113 -6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.538 -3.367 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.845 -3.155 -7.501 1.00 0.00 H new ATOM 990 N LEU A 69 -2.734 2.245 -7.994 1.00 0.00 N ATOM 991 CA LEU A 69 -3.313 3.586 -8.152 1.00 0.00 C ATOM 992 C LEU A 69 -4.383 3.552 -9.232 1.00 0.00 C ATOM 993 O LEU A 69 -5.445 4.159 -9.104 1.00 0.00 O ATOM 994 CB LEU A 69 -2.239 4.597 -8.585 1.00 0.00 C ATOM 995 CG LEU A 69 -2.694 6.065 -8.468 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.750 6.568 -7.020 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.732 6.956 -9.257 1.00 0.00 C ATOM 0 H LEU A 69 -1.725 2.204 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.735 3.887 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.347 4.452 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.955 4.394 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.706 6.113 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.077 7.608 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.453 5.960 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.760 6.494 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.050 7.995 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.725 6.852 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.734 6.656 -10.305 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.053 2.834 -10.302 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.842 2.698 -11.503 1.00 0.00 C ATOM 1010 C LYS A 70 -6.015 1.824 -11.126 1.00 0.00 C ATOM 1011 O LYS A 70 -7.118 2.312 -11.123 1.00 0.00 O ATOM 1012 CB LYS A 70 -3.990 2.163 -12.666 1.00 0.00 C ATOM 1013 CG LYS A 70 -2.604 2.819 -12.655 1.00 0.00 C ATOM 1014 CD LYS A 70 -1.771 2.668 -13.936 1.00 0.00 C ATOM 1015 CE LYS A 70 -0.794 1.492 -13.833 1.00 0.00 C ATOM 1016 NZ LYS A 70 0.384 1.679 -14.704 1.00 0.00 N ATOM 0 H LYS A 70 -3.181 2.307 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.214 3.652 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.888 1.081 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.488 2.365 -13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.730 3.882 -12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.034 2.402 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.435 2.518 -14.788 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.217 3.588 -14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.467 1.380 -12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.306 0.569 -14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.021 0.863 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.075 1.760 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.887 2.546 -14.426 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.805 0.573 -10.741 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.831 -0.363 -10.275 1.00 0.00 C ATOM 1028 C ASP A 71 -7.815 0.287 -9.282 1.00 0.00 C ATOM 1029 O ASP A 71 -9.027 0.157 -9.455 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.131 -1.625 -9.720 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.598 -2.535 -10.832 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -4.959 -2.005 -11.770 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.771 -3.772 -10.791 1.00 0.00 O ATOM 0 H ASP A 71 -4.873 0.159 -10.743 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.461 -0.662 -11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.306 -1.325 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.833 -2.184 -9.102 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.331 1.056 -8.299 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.124 1.922 -7.436 1.00 0.00 C ATOM 1039 C ALA A 72 -8.956 2.892 -8.277 1.00 0.00 C ATOM 1040 O ALA A 72 -10.177 2.781 -8.243 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.226 2.644 -6.421 1.00 0.00 C ATOM 0 H ALA A 72 -6.336 1.089 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.822 1.313 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.837 3.286 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.710 1.908 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.493 3.251 -6.951 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.342 3.801 -9.048 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.025 4.722 -9.969 1.00 0.00 C ATOM 1049 C LYS A 73 -10.086 3.997 -10.793 1.00 0.00 C ATOM 1050 O LYS A 73 -11.231 4.442 -10.811 1.00 0.00 O ATOM 1051 CB LYS A 73 -7.993 5.410 -10.888 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.614 6.402 -11.888 1.00 0.00 C ATOM 1053 CD LYS A 73 -7.741 6.610 -13.133 1.00 0.00 C ATOM 1054 CE LYS A 73 -6.382 7.207 -12.779 1.00 0.00 C ATOM 1055 NZ LYS A 73 -5.769 7.940 -13.905 1.00 0.00 N ATOM 0 H LYS A 73 -7.329 3.919 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.534 5.483 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.266 5.938 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.446 4.646 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.595 6.038 -12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.770 7.361 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.598 5.656 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.256 7.268 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.496 7.882 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.711 6.409 -12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.849 8.324 -13.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.632 7.293 -14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.394 8.720 -14.192 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.731 2.901 -11.455 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.549 2.081 -12.335 1.00 0.00 C ATOM 1067 C ILE A 74 -11.826 1.662 -11.596 1.00 0.00 C ATOM 1068 O ILE A 74 -12.884 1.601 -12.219 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.706 0.876 -12.852 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.507 1.333 -13.724 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.568 -0.106 -13.666 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -7.421 0.288 -14.003 1.00 0.00 C ATOM 0 H ILE A 74 -8.782 2.534 -11.382 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.864 2.643 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.323 0.373 -11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.896 1.683 -14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.039 2.189 -13.237 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.949 -0.934 -14.011 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.372 -0.491 -13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.995 0.411 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.640 0.731 -14.622 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.990 -0.049 -13.060 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.860 -0.562 -14.526 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.765 1.412 -10.283 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.907 1.008 -9.460 1.00 0.00 C ATOM 1085 C ASN A 75 -13.417 2.162 -8.569 1.00 0.00 C ATOM 1086 O ASN A 75 -14.248 1.963 -7.685 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.516 -0.254 -8.671 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.706 -1.179 -8.454 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.706 -0.816 -7.848 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -13.668 -2.387 -8.973 1.00 0.00 N ATOM 0 H ASN A 75 -10.898 1.487 -9.752 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.757 0.763 -10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.733 -0.790 -9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.100 0.035 -7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.467 -3.012 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.839 -2.699 -9.480 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.910 3.381 -8.750 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.372 4.599 -8.095 1.00 0.00 C ATOM 1098 C GLY A 76 -12.802 4.786 -6.689 1.00 0.00 C ATOM 1099 O GLY A 76 -13.371 5.525 -5.884 1.00 0.00 O ATOM 0 H GLY A 76 -12.131 3.551 -9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.098 5.458 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.460 4.582 -8.038 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.719 4.091 -6.336 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.160 4.088 -4.987 1.00 0.00 C ATOM 1105 C LYS A 77 -9.988 5.070 -4.933 1.00 0.00 C ATOM 1106 O LYS A 77 -9.406 5.416 -5.964 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.738 2.666 -4.569 1.00 0.00 C ATOM 1108 CG LYS A 77 -11.631 1.519 -5.076 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.108 1.594 -4.666 1.00 0.00 C ATOM 1110 CE LYS A 77 -13.845 0.318 -5.112 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.258 0.573 -5.461 1.00 0.00 N ATOM 0 H LYS A 77 -11.199 3.506 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.919 4.410 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.722 2.492 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.709 2.623 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.576 1.494 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.220 0.576 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.188 1.711 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.575 2.470 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.333 -0.111 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.799 -0.422 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.876 0.145 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.427 1.599 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.467 0.156 -6.390 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.636 5.497 -3.729 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.498 6.353 -3.406 1.00 0.00 C ATOM 1123 C GLU A 78 -7.349 5.492 -2.863 1.00 0.00 C ATOM 1124 O GLU A 78 -7.470 4.271 -2.780 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.956 7.399 -2.369 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.452 8.814 -2.662 1.00 0.00 C ATOM 1127 CD GLU A 78 -8.887 9.393 -4.022 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.811 8.859 -4.674 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -8.295 10.422 -4.427 1.00 0.00 O ATOM 0 H GLU A 78 -10.169 5.240 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.136 6.871 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.045 7.410 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.608 7.096 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.803 9.479 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.363 8.812 -2.617 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.228 6.095 -2.456 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.046 5.357 -2.026 1.00 0.00 C ATOM 1136 C PHE A 79 -4.161 6.267 -1.168 1.00 0.00 C ATOM 1137 O PHE A 79 -3.902 7.417 -1.540 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.316 4.854 -3.284 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.868 4.485 -3.066 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.527 3.392 -2.249 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -1.859 5.289 -3.622 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.178 3.135 -1.960 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.513 5.048 -3.308 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.174 3.985 -2.461 1.00 0.00 C ATOM 0 H PHE A 79 -6.119 7.108 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.314 4.497 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.845 3.983 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.369 5.626 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.299 2.754 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.120 6.094 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.910 2.284 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.260 5.681 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.858 3.817 -2.192 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.696 5.779 -0.016 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.824 6.461 0.950 1.00 0.00 C ATOM 1155 C ILE A 80 -1.909 5.366 1.518 1.00 0.00 C ATOM 1156 O ILE A 80 -2.310 4.198 1.539 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.666 7.181 2.045 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.809 8.019 1.420 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.776 8.124 2.880 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.815 8.628 2.386 1.00 0.00 C ATOM 0 H ILE A 80 -3.933 4.835 0.289 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.229 7.251 0.491 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.093 6.405 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.362 8.826 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.351 7.385 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.382 8.618 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.988 7.547 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.329 8.874 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.563 9.189 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.304 7.834 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.299 9.297 3.074 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.701 5.723 1.963 1.00 0.00 N ATOM 1172 CA LEU A 81 0.170 4.840 2.738 1.00 0.00 C ATOM 1173 C LEU A 81 0.351 5.387 4.153 1.00 0.00 C ATOM 1174 O LEU A 81 0.256 6.598 4.330 1.00 0.00 O ATOM 1175 CB LEU A 81 1.563 4.740 2.124 1.00 0.00 C ATOM 1176 CG LEU A 81 1.688 4.226 0.692 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.179 4.196 0.332 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.090 2.830 0.546 1.00 0.00 C ATOM 0 H LEU A 81 -0.297 6.644 1.792 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.307 3.860 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.015 5.731 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.162 4.092 2.763 1.00 0.00 H new ATOM 0 HG LEU A 81 1.138 4.886 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.300 3.832 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.592 5.202 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.706 3.533 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.196 2.495 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.613 2.139 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.033 2.857 0.812 1.00 0.00 H new ATOM 1189 N SER A 82 0.643 4.561 5.162 1.00 0.00 N ATOM 1190 CA SER A 82 0.785 4.956 6.540 1.00 0.00 C ATOM 1191 C SER A 82 1.947 4.212 7.183 1.00 0.00 C ATOM 1192 O SER A 82 2.214 3.083 6.809 1.00 0.00 O ATOM 1193 CB SER A 82 -0.547 4.603 7.183 1.00 0.00 C ATOM 1194 OG SER A 82 -1.123 3.362 6.849 1.00 0.00 O ATOM 0 H SER A 82 0.790 3.562 5.021 1.00 0.00 H new ATOM 0 HA SER A 82 1.010 6.016 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.416 4.633 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.262 5.385 6.927 1.00 0.00 H new ATOM 0 HG SER A 82 -1.821 3.496 6.174 1.00 0.00 H new ATOM 1199 N SER A 83 2.599 4.759 8.196 1.00 0.00 N ATOM 1200 CA SER A 83 3.505 4.022 9.071 1.00 0.00 C ATOM 1201 C SER A 83 4.776 3.441 8.464 1.00 0.00 C ATOM 1202 O SER A 83 5.252 2.358 8.806 1.00 0.00 O ATOM 1203 CB SER A 83 2.695 2.962 9.844 1.00 0.00 C ATOM 1204 OG SER A 83 2.889 3.072 11.240 1.00 0.00 O ATOM 0 H SER A 83 2.514 5.746 8.440 1.00 0.00 H new ATOM 0 HA SER A 83 3.923 4.777 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.636 3.074 9.614 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.989 1.966 9.513 1.00 0.00 H new ATOM 0 HG SER A 83 2.360 2.387 11.699 1.00 0.00 H new ATOM 1209 N LEU A 84 5.388 4.220 7.600 1.00 0.00 N ATOM 1210 CA LEU A 84 6.563 3.842 6.843 1.00 0.00 C ATOM 1211 C LEU A 84 7.777 3.771 7.742 1.00 0.00 C ATOM 1212 O LEU A 84 7.745 4.165 8.909 1.00 0.00 O ATOM 1213 CB LEU A 84 6.742 4.871 5.731 1.00 0.00 C ATOM 1214 CG LEU A 84 5.642 4.828 4.665 1.00 0.00 C ATOM 1215 CD1 LEU A 84 6.046 3.901 3.509 1.00 0.00 C ATOM 1216 CD2 LEU A 84 4.204 4.529 5.024 1.00 0.00 C ATOM 0 H LEU A 84 5.071 5.168 7.397 1.00 0.00 H new ATOM 0 HA LEU A 84 6.442 2.849 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.769 5.867 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.707 4.709 5.251 1.00 0.00 H new ATOM 0 HG LEU A 84 5.601 5.889 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.252 3.884 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.965 4.268 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.207 2.893 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.592 4.548 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.141 3.543 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.840 5.280 5.725 1.00 0.00 H new ATOM 1227 N LYS A 85 8.860 3.233 7.189 1.00 0.00 N ATOM 1228 CA LYS A 85 10.170 3.320 7.803 1.00 0.00 C ATOM 1229 C LYS A 85 10.965 4.353 7.086 1.00 0.00 C ATOM 1230 O LYS A 85 10.724 4.608 5.911 1.00 0.00 O ATOM 1231 CB LYS A 85 10.879 1.972 7.822 1.00 0.00 C ATOM 1232 CG LYS A 85 10.064 1.096 8.746 1.00 0.00 C ATOM 1233 CD LYS A 85 10.824 -0.153 9.151 1.00 0.00 C ATOM 1234 CE LYS A 85 10.053 -0.730 10.325 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.512 -0.217 11.634 1.00 0.00 N ATOM 0 H LYS A 85 8.849 2.726 6.304 1.00 0.00 H new ATOM 0 HA LYS A 85 10.058 3.613 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.932 1.543 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.903 2.073 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.792 1.661 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.134 0.812 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.877 -0.865 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.850 0.085 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.994 -0.501 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.147 -1.816 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.947 -0.648 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.515 -0.458 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.397 0.816 11.661 1.00 0.00 H new ATOM 1245 N GLU A 86 11.969 4.873 7.764 1.00 0.00 N ATOM 1246 CA GLU A 86 12.772 5.950 7.188 1.00 0.00 C ATOM 1247 C GLU A 86 13.548 5.409 5.980 1.00 0.00 C ATOM 1248 O GLU A 86 13.764 6.105 4.987 1.00 0.00 O ATOM 1249 CB GLU A 86 13.678 6.575 8.254 1.00 0.00 C ATOM 1250 CG GLU A 86 14.467 7.755 7.672 1.00 0.00 C ATOM 1251 CD GLU A 86 14.707 8.840 8.715 1.00 0.00 C ATOM 1252 OE1 GLU A 86 13.798 9.671 8.930 1.00 0.00 O ATOM 1253 OE2 GLU A 86 15.800 8.872 9.329 1.00 0.00 O ATOM 0 H GLU A 86 12.250 4.578 8.699 1.00 0.00 H new ATOM 0 HA GLU A 86 12.127 6.753 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.076 6.914 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.368 5.824 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.424 7.400 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.922 8.176 6.827 1.00 0.00 H new ATOM 1258 N SER A 87 13.859 4.110 6.019 1.00 0.00 N ATOM 1259 CA SER A 87 14.476 3.382 4.921 1.00 0.00 C ATOM 1260 C SER A 87 13.586 3.343 3.672 1.00 0.00 C ATOM 1261 O SER A 87 14.091 3.110 2.583 1.00 0.00 O ATOM 1262 CB SER A 87 14.762 1.944 5.382 1.00 0.00 C ATOM 1263 OG SER A 87 15.327 1.914 6.686 1.00 0.00 O ATOM 0 H SER A 87 13.682 3.527 6.837 1.00 0.00 H new ATOM 0 HA SER A 87 15.396 3.900 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.837 1.368 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.443 1.465 4.679 1.00 0.00 H new ATOM 0 HG SER A 87 15.495 0.985 6.949 1.00 0.00 H new ATOM 1268 N ILE A 88 12.277 3.568 3.807 1.00 0.00 N ATOM 1269 CA ILE A 88 11.253 3.299 2.811 1.00 0.00 C ATOM 1270 C ILE A 88 10.673 4.639 2.367 1.00 0.00 C ATOM 1271 O ILE A 88 10.482 4.878 1.175 1.00 0.00 O ATOM 1272 CB ILE A 88 10.152 2.394 3.393 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.677 1.127 4.112 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.167 2.048 2.271 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.277 0.035 3.230 1.00 0.00 C ATOM 0 H ILE A 88 11.888 3.964 4.663 1.00 0.00 H new ATOM 0 HA ILE A 88 11.684 2.774 1.958 1.00 0.00 H new ATOM 0 HB ILE A 88 9.649 2.952 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.433 1.435 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.854 0.692 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.378 1.406 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.727 2.964 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.694 1.527 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.607 -0.796 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.525 -0.317 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.129 0.437 2.682 1.00 0.00 H new ATOM 1286 N SER A 89 10.448 5.541 3.321 1.00 0.00 N ATOM 1287 CA SER A 89 9.939 6.868 3.041 1.00 0.00 C ATOM 1288 C SER A 89 10.901 7.567 2.067 1.00 0.00 C ATOM 1289 O SER A 89 10.487 8.114 1.037 1.00 0.00 O ATOM 1290 CB SER A 89 9.769 7.720 4.310 1.00 0.00 C ATOM 1291 OG SER A 89 8.830 7.138 5.184 1.00 0.00 O ATOM 0 H SER A 89 10.617 5.364 4.311 1.00 0.00 H new ATOM 0 HA SER A 89 8.947 6.762 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.729 7.821 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.445 8.724 4.038 1.00 0.00 H new ATOM 0 HG SER A 89 9.197 6.307 5.552 1.00 0.00 H new ATOM 1296 N ARG A 90 12.212 7.470 2.348 1.00 0.00 N ATOM 1297 CA ARG A 90 13.250 7.922 1.428 1.00 0.00 C ATOM 1298 C ARG A 90 13.151 7.192 0.100 1.00 0.00 C ATOM 1299 O ARG A 90 13.291 7.824 -0.930 1.00 0.00 O ATOM 1300 CB ARG A 90 14.657 7.784 2.036 1.00 0.00 C ATOM 1301 CG ARG A 90 15.270 6.389 1.849 1.00 0.00 C ATOM 1302 CD ARG A 90 16.637 6.270 2.512 1.00 0.00 C ATOM 1303 NE ARG A 90 17.742 6.404 1.540 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.015 5.580 0.515 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.431 4.386 0.438 1.00 0.00 N ATOM 1306 NH2 ARG A 90 18.842 5.981 -0.445 1.00 0.00 N ATOM 0 H ARG A 90 12.573 7.077 3.217 1.00 0.00 H new ATOM 0 HA ARG A 90 13.084 8.984 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.315 8.525 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.608 8.011 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.598 5.639 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.364 6.174 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.735 7.038 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.712 5.306 3.015 1.00 0.00 H new ATOM 0 HE ARG A 90 18.362 7.205 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.772 4.093 1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.642 3.764 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.264 6.908 -0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.055 5.361 -1.227 1.00 0.00 H new ATOM 1317 N ILE A 91 12.952 5.875 0.091 1.00 0.00 N ATOM 1318 CA ILE A 91 13.070 5.051 -1.101 1.00 0.00 C ATOM 1319 C ILE A 91 12.060 5.562 -2.122 1.00 0.00 C ATOM 1320 O ILE A 91 12.381 5.727 -3.302 1.00 0.00 O ATOM 1321 CB ILE A 91 12.846 3.576 -0.687 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.200 2.869 -0.527 1.00 0.00 C ATOM 1323 CG2 ILE A 91 11.886 2.806 -1.609 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.057 1.436 0.001 1.00 0.00 C ATOM 0 H ILE A 91 12.701 5.347 0.927 1.00 0.00 H new ATOM 0 HA ILE A 91 14.055 5.107 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 91 12.338 3.587 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.711 2.849 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.827 3.443 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.782 1.781 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.910 3.292 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.284 2.798 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.044 0.983 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.572 1.455 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.454 0.851 -0.693 1.00 0.00 H new ATOM 1335 N LEU A 92 10.847 5.859 -1.655 1.00 0.00 N ATOM 1336 CA LEU A 92 9.840 6.463 -2.493 1.00 0.00 C ATOM 1337 C LEU A 92 10.365 7.816 -2.987 1.00 0.00 C ATOM 1338 O LEU A 92 10.309 8.087 -4.179 1.00 0.00 O ATOM 1339 CB LEU A 92 8.514 6.537 -1.723 1.00 0.00 C ATOM 1340 CG LEU A 92 7.898 5.145 -1.438 1.00 0.00 C ATOM 1341 CD1 LEU A 92 6.911 5.232 -0.272 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.183 4.566 -2.672 1.00 0.00 C ATOM 0 H LEU A 92 10.548 5.686 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 92 9.634 5.865 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.678 7.055 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.802 7.133 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 92 8.719 4.476 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.485 4.247 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.431 5.581 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.113 5.930 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.766 3.589 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.380 5.237 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.896 4.461 -3.490 1.00 0.00 H new ATOM 1353 N LYS A 93 10.973 8.668 -2.160 1.00 0.00 N ATOM 1354 CA LYS A 93 11.502 9.946 -2.586 1.00 0.00 C ATOM 1355 C LYS A 93 12.564 9.811 -3.674 1.00 0.00 C ATOM 1356 O LYS A 93 12.541 10.547 -4.661 1.00 0.00 O ATOM 1357 CB LYS A 93 12.119 10.679 -1.385 1.00 0.00 C ATOM 1358 CG LYS A 93 11.989 12.147 -1.748 1.00 0.00 C ATOM 1359 CD LYS A 93 12.998 13.106 -1.113 1.00 0.00 C ATOM 1360 CE LYS A 93 14.413 12.873 -1.677 1.00 0.00 C ATOM 1361 NZ LYS A 93 15.283 14.065 -1.561 1.00 0.00 N ATOM 0 H LYS A 93 11.109 8.480 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 93 10.667 10.510 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.590 10.448 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.161 10.395 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.069 12.238 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.987 12.477 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.693 14.136 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.006 12.967 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.876 12.039 -1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.338 12.585 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.221 13.850 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.859 14.856 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.381 14.327 -0.559 1.00 0.00 H new ATOM 1371 N LEU A 94 13.503 8.888 -3.494 1.00 0.00 N ATOM 1372 CA LEU A 94 14.615 8.605 -4.384 1.00 0.00 C ATOM 1373 C LEU A 94 14.122 8.389 -5.815 1.00 0.00 C ATOM 1374 O LEU A 94 14.735 8.919 -6.744 1.00 0.00 O ATOM 1375 CB LEU A 94 15.348 7.380 -3.819 1.00 0.00 C ATOM 1376 CG LEU A 94 16.438 7.660 -2.766 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.764 7.934 -3.463 1.00 0.00 C ATOM 1378 CD2 LEU A 94 16.257 8.835 -1.800 1.00 0.00 C ATOM 0 H LEU A 94 13.505 8.283 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 94 15.306 9.447 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.608 6.713 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.805 6.842 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 94 16.384 6.754 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 94 18.533 8.132 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 94 18.049 7.066 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.660 8.801 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.113 8.889 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.181 9.763 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.347 8.690 -1.217 1.00 0.00 H new ATOM 1389 N THR A 95 12.965 7.751 -5.991 1.00 0.00 N ATOM 1390 CA THR A 95 12.364 7.492 -7.298 1.00 0.00 C ATOM 1391 C THR A 95 11.198 8.448 -7.615 1.00 0.00 C ATOM 1392 O THR A 95 10.481 8.284 -8.597 1.00 0.00 O ATOM 1393 CB THR A 95 12.104 5.971 -7.397 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.335 5.292 -7.180 1.00 0.00 O ATOM 1395 CG2 THR A 95 11.664 5.506 -8.780 1.00 0.00 C ATOM 0 H THR A 95 12.409 7.393 -5.214 1.00 0.00 H new ATOM 0 HA THR A 95 13.039 7.736 -8.118 1.00 0.00 H new ATOM 0 HB THR A 95 11.320 5.759 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.189 4.325 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.502 4.428 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.737 6.009 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.438 5.748 -9.508 1.00 0.00 H new ATOM 1403 N HIS A 96 11.080 9.540 -6.856 1.00 0.00 N ATOM 1404 CA HIS A 96 10.053 10.579 -6.947 1.00 0.00 C ATOM 1405 C HIS A 96 8.648 10.009 -6.822 1.00 0.00 C ATOM 1406 O HIS A 96 7.726 10.443 -7.499 1.00 0.00 O ATOM 1407 CB HIS A 96 10.146 11.406 -8.240 1.00 0.00 C ATOM 1408 CG HIS A 96 11.558 11.785 -8.608 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.335 12.741 -7.986 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.340 11.116 -9.508 1.00 0.00 C ATOM 1411 CE1 HIS A 96 13.577 12.646 -8.495 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.602 11.670 -9.425 1.00 0.00 N ATOM 0 H HIS A 96 11.747 9.735 -6.109 1.00 0.00 H new ATOM 0 HA HIS A 96 10.248 11.241 -6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.705 10.837 -9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.552 12.313 -8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.031 10.311 -10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.420 13.255 -8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.415 11.389 -9.974 1.00 0.00 H new ATOM 1420 N LEU A 97 8.509 9.016 -5.965 1.00 0.00 N ATOM 1421 CA LEU A 97 7.345 8.187 -5.791 1.00 0.00 C ATOM 1422 C LEU A 97 6.511 8.707 -4.633 1.00 0.00 C ATOM 1423 O LEU A 97 5.292 8.705 -4.707 1.00 0.00 O ATOM 1424 CB LEU A 97 7.859 6.758 -5.528 1.00 0.00 C ATOM 1425 CG LEU A 97 7.302 5.711 -6.478 1.00 0.00 C ATOM 1426 CD1 LEU A 97 5.794 5.646 -6.387 1.00 0.00 C ATOM 1427 CD2 LEU A 97 7.760 5.951 -7.913 1.00 0.00 C ATOM 0 H LEU A 97 9.263 8.754 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 97 6.702 8.197 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.947 6.756 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.607 6.476 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 97 7.700 4.744 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.420 4.889 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.502 5.386 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.372 6.616 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.341 5.182 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.418 6.931 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.848 5.911 -7.959 1.00 0.00 H new ATOM 1438 N ASP A 98 7.154 9.213 -3.580 1.00 0.00 N ATOM 1439 CA ASP A 98 6.464 9.778 -2.422 1.00 0.00 C ATOM 1440 C ASP A 98 5.619 10.967 -2.880 1.00 0.00 C ATOM 1441 O ASP A 98 4.422 11.009 -2.618 1.00 0.00 O ATOM 1442 CB ASP A 98 7.486 10.130 -1.334 1.00 0.00 C ATOM 1443 CG ASP A 98 7.074 11.316 -0.465 1.00 0.00 C ATOM 1444 OD1 ASP A 98 5.953 11.360 0.069 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.915 12.237 -0.351 1.00 0.00 O ATOM 0 H ASP A 98 8.171 9.242 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 98 5.781 9.055 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.639 9.259 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.443 10.352 -1.805 1.00 0.00 H new ATOM 1449 N LYS A 99 6.196 11.865 -3.685 1.00 0.00 N ATOM 1450 CA LYS A 99 5.489 13.020 -4.225 1.00 0.00 C ATOM 1451 C LYS A 99 4.218 12.700 -5.026 1.00 0.00 C ATOM 1452 O LYS A 99 3.413 13.611 -5.212 1.00 0.00 O ATOM 1453 CB LYS A 99 6.447 13.878 -5.061 1.00 0.00 C ATOM 1454 CG LYS A 99 7.014 13.128 -6.263 1.00 0.00 C ATOM 1455 CD LYS A 99 7.008 13.924 -7.575 1.00 0.00 C ATOM 1456 CE LYS A 99 5.599 14.393 -7.975 1.00 0.00 C ATOM 1457 NZ LYS A 99 5.507 14.776 -9.398 1.00 0.00 N ATOM 0 H LYS A 99 7.171 11.807 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 99 5.136 13.572 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.922 14.768 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.268 14.218 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.038 12.831 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.441 12.212 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.660 14.791 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.422 13.306 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.884 13.596 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.314 15.243 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.537 15.084 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.168 15.555 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.751 13.959 -9.994 1.00 0.00 H new ATOM 1467 N ILE A 100 4.037 11.471 -5.507 1.00 0.00 N ATOM 1468 CA ILE A 100 2.926 11.031 -6.355 1.00 0.00 C ATOM 1469 C ILE A 100 2.038 10.023 -5.618 1.00 0.00 C ATOM 1470 O ILE A 100 1.023 9.576 -6.157 1.00 0.00 O ATOM 1471 CB ILE A 100 3.449 10.460 -7.696 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.621 9.486 -7.558 1.00 0.00 C ATOM 1473 CG2 ILE A 100 3.837 11.579 -8.670 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.177 8.969 -8.895 1.00 0.00 C ATOM 0 H ILE A 100 4.693 10.716 -5.307 1.00 0.00 H new ATOM 0 HA ILE A 100 2.309 11.899 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 100 2.609 9.890 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.424 9.978 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.301 8.634 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.200 11.142 -9.600 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.965 12.200 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.622 12.191 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.004 8.285 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.390 8.445 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.531 9.810 -9.491 1.00 0.00 H new ATOM 1485 N PHE A 101 2.413 9.675 -4.394 1.00 0.00 N ATOM 1486 CA PHE A 101 1.714 8.851 -3.429 1.00 0.00 C ATOM 1487 C PHE A 101 1.293 9.796 -2.294 1.00 0.00 C ATOM 1488 O PHE A 101 1.453 11.016 -2.393 1.00 0.00 O ATOM 1489 CB PHE A 101 2.712 7.785 -2.936 1.00 0.00 C ATOM 1490 CG PHE A 101 2.856 6.508 -3.745 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.779 6.488 -5.145 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.119 5.299 -3.084 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.931 5.298 -5.852 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.283 4.097 -3.778 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.174 4.110 -5.168 1.00 0.00 C ATOM 0 H PHE A 101 3.305 9.998 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 101 0.836 8.346 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.695 8.252 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.427 7.506 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.599 7.408 -5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.197 5.297 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.860 5.297 -6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.490 3.178 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.279 3.188 -5.720 1.00 0.00 H new ATOM 1504 N LYS A 102 0.780 9.250 -1.197 1.00 0.00 N ATOM 1505 CA LYS A 102 0.657 9.943 0.071 1.00 0.00 C ATOM 1506 C LYS A 102 1.173 9.026 1.148 1.00 0.00 C ATOM 1507 O LYS A 102 1.001 7.814 1.050 1.00 0.00 O ATOM 1508 CB LYS A 102 -0.795 10.402 0.287 1.00 0.00 C ATOM 1509 CG LYS A 102 -0.940 11.220 1.581 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.036 12.284 1.546 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.432 11.693 1.728 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.415 12.772 1.914 1.00 0.00 N ATOM 0 H LYS A 102 0.432 8.292 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 102 1.254 10.855 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.118 11.003 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.450 9.532 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.143 10.537 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.012 11.706 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.851 13.018 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.991 12.816 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.698 11.093 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.444 11.026 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.362 12.361 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.166 13.327 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.412 13.392 1.079 1.00 0.00 H new ATOM 1522 N ILE A 103 1.816 9.627 2.140 1.00 0.00 N ATOM 1523 CA ILE A 103 2.335 8.968 3.309 1.00 0.00 C ATOM 1524 C ILE A 103 1.784 9.733 4.512 1.00 0.00 C ATOM 1525 O ILE A 103 1.968 10.952 4.609 1.00 0.00 O ATOM 1526 CB ILE A 103 3.883 8.871 3.282 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.396 7.866 2.219 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.404 8.412 4.655 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.647 8.460 0.829 1.00 0.00 C ATOM 0 H ILE A 103 1.993 10.632 2.142 1.00 0.00 H new ATOM 0 HA ILE A 103 2.014 7.928 3.359 1.00 0.00 H new ATOM 0 HB ILE A 103 4.252 9.865 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.324 7.422 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.670 7.058 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.492 8.346 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.103 9.131 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.987 7.434 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.003 7.678 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.719 8.878 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.398 9.247 0.900 1.00 0.00 H new ATOM 1540 N THR A 104 1.127 9.017 5.413 1.00 0.00 N ATOM 1541 CA THR A 104 0.723 9.473 6.728 1.00 0.00 C ATOM 1542 C THR A 104 1.542 8.719 7.772 1.00 0.00 C ATOM 1543 O THR A 104 2.312 7.802 7.460 1.00 0.00 O ATOM 1544 CB THR A 104 -0.797 9.305 6.892 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.193 7.947 6.826 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.569 10.106 5.836 1.00 0.00 C ATOM 0 H THR A 104 0.849 8.052 5.233 1.00 0.00 H new ATOM 0 HA THR A 104 0.923 10.536 6.863 1.00 0.00 H new ATOM 0 HB THR A 104 -1.039 9.690 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.482 7.647 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.640 9.964 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.327 11.164 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.290 9.760 4.841 1.00 0.00 H new ATOM 1554 N ASP A 105 1.387 9.107 9.028 1.00 0.00 N ATOM 1555 CA ASP A 105 2.123 8.513 10.131 1.00 0.00 C ATOM 1556 C ASP A 105 1.360 7.290 10.579 1.00 0.00 C ATOM 1557 O ASP A 105 1.880 6.181 10.614 1.00 0.00 O ATOM 1558 CB ASP A 105 2.258 9.497 11.297 1.00 0.00 C ATOM 1559 CG ASP A 105 3.730 9.633 11.693 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.574 10.026 10.861 1.00 0.00 O ATOM 1561 OD2 ASP A 105 4.063 9.257 12.840 1.00 0.00 O ATOM 0 H ASP A 105 0.744 9.846 9.311 1.00 0.00 H new ATOM 0 HA ASP A 105 3.130 8.250 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.857 10.470 11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.674 9.148 12.148 1.00 0.00 H new ATOM 1565 N THR A 106 0.081 7.497 10.863 1.00 0.00 N ATOM 1566 CA THR A 106 -0.824 6.487 11.348 1.00 0.00 C ATOM 1567 C THR A 106 -1.835 6.193 10.243 1.00 0.00 C ATOM 1568 O THR A 106 -2.044 7.000 9.326 1.00 0.00 O ATOM 1569 CB THR A 106 -1.441 7.009 12.657 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.062 8.263 12.453 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.393 7.163 13.763 1.00 0.00 C ATOM 0 H THR A 106 -0.362 8.409 10.755 1.00 0.00 H new ATOM 0 HA THR A 106 -0.338 5.540 11.582 1.00 0.00 H new ATOM 0 HB THR A 106 -2.179 6.269 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.450 8.577 13.296 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.872 7.534 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.067 6.196 13.966 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.373 7.869 13.443 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.500 5.044 10.345 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.698 4.756 9.572 1.00 0.00 C ATOM 1581 C VAL A 107 -4.809 5.748 9.952 1.00 0.00 C ATOM 1582 O VAL A 107 -5.721 6.007 9.172 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.109 3.285 9.800 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -3.054 2.319 9.248 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.298 2.927 11.278 1.00 0.00 C ATOM 0 H VAL A 107 -2.219 4.287 10.969 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.508 4.882 8.506 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.060 3.183 9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.373 1.292 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.935 2.483 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.102 2.494 9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.586 1.879 11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.364 3.092 11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.079 3.555 11.707 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.717 6.334 11.149 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.644 7.352 11.606 1.00 0.00 C ATOM 1597 C GLU A 108 -5.472 8.712 10.948 1.00 0.00 C ATOM 1598 O GLU A 108 -6.435 9.475 10.892 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.572 7.520 13.125 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.659 6.675 13.793 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.057 7.287 15.128 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -6.255 7.180 16.082 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.132 7.924 15.211 1.00 0.00 O ATOM 0 H GLU A 108 -3.989 6.108 11.827 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.624 6.981 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.590 7.217 13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.700 8.569 13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.530 6.609 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.297 5.658 13.945 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.277 9.059 10.479 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.054 10.344 9.847 1.00 0.00 C ATOM 1610 C GLU A 109 -4.432 10.301 8.357 1.00 0.00 C ATOM 1611 O GLU A 109 -4.366 11.322 7.666 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.606 10.724 10.143 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.263 12.132 9.674 1.00 0.00 C ATOM 1614 CD GLU A 109 -1.118 12.673 10.512 1.00 0.00 C ATOM 1615 OE1 GLU A 109 0.049 12.330 10.230 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -1.385 13.478 11.433 1.00 0.00 O ATOM 0 H GLU A 109 -3.450 8.463 10.527 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.700 11.127 10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.426 10.648 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.940 10.011 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.984 12.119 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.134 12.781 9.765 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.866 9.138 7.868 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.323 8.864 6.518 1.00 0.00 C ATOM 1623 C ALA A 110 -6.836 8.697 6.495 1.00 0.00 C ATOM 1624 O ALA A 110 -7.403 8.531 5.398 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.652 7.583 6.050 1.00 0.00 C ATOM 0 H ALA A 110 -4.907 8.305 8.455 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.065 9.693 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.977 7.351 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.570 7.713 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.927 6.764 6.715 1.00 0.00 H new