USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 42 MET CE :methyl -150:sc= -0.036 (180deg=0) USER MOD Set 1.2: A 56 ASN : amide:sc= -4.4 K(o=-4.4,f=-1.1) USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.964! C(o=-0.96!,f=-11!) USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.88 K(o=-0.88,f=0.042) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.19) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 3:sc= 0.748 USER MOD Single : A 25 SER OG : rot 34:sc= 0.341 USER MOD Single : A 32 MET CE :methyl 161:sc= -2.91 (180deg=-3.26) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0342 K(o=-0.034,f=-0.87) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -1.05! C(o=-1.1!,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 45:sc= 0.3 USER MOD Single : A 69 SER OG : rot 126:sc= 0.603 USER MOD Single : A 76 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.12) USER MOD Single : A 80 SER OG : rot 89:sc= 0.159 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.783 X(o=-0.78,f=-1.2) USER MOD Single : A 87 THR OG1 : rot -76:sc= 0.0679 USER MOD Single : A 93 THR OG1 : rot -24:sc= 0.605 USER MOD Single : A 94 TYR OH : rot -52:sc= 0.482 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= -0.326 (180deg=-2.48!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 164:sc= 0.11 (180deg=0.0422) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.506 26.288 -5.060 1.00 0.00 N ATOM 67 CA GLU A 8 -7.066 26.038 -3.693 1.00 0.00 C ATOM 68 C GLU A 8 -6.427 24.658 -3.571 1.00 0.00 C ATOM 69 O GLU A 8 -6.470 23.856 -4.505 1.00 0.00 O ATOM 70 CB GLU A 8 -8.246 26.153 -2.725 1.00 0.00 C ATOM 71 CG GLU A 8 -9.275 25.047 -2.885 1.00 0.00 C ATOM 72 CD GLU A 8 -10.179 25.260 -4.083 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.515 26.428 -4.371 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.552 24.261 -4.732 1.00 0.00 O ATOM 0 HA GLU A 8 -6.319 26.789 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.869 26.141 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.734 27.116 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.762 24.091 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.883 24.988 -1.982 1.00 0.00 H new ATOM 81 N LEU A 9 -5.833 24.388 -2.414 1.00 0.00 N ATOM 82 CA LEU A 9 -5.184 23.105 -2.168 1.00 0.00 C ATOM 83 C LEU A 9 -6.044 21.952 -2.677 1.00 0.00 C ATOM 84 O LEU A 9 -7.260 22.086 -2.811 1.00 0.00 O ATOM 85 CB LEU A 9 -4.907 22.928 -0.674 1.00 0.00 C ATOM 86 CG LEU A 9 -4.688 21.492 -0.197 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.855 21.474 1.075 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.022 20.795 0.027 1.00 0.00 C ATOM 0 H LEU A 9 -5.787 25.040 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.238 23.096 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.024 23.514 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.743 23.351 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.144 20.951 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.709 20.444 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.886 21.934 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.372 22.031 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.847 19.774 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.593 21.335 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.584 20.776 -0.907 1.00 0.00 H new ATOM 100 N GLN A 10 -5.404 20.822 -2.957 1.00 0.00 N ATOM 101 CA GLN A 10 -6.112 19.646 -3.449 1.00 0.00 C ATOM 102 C GLN A 10 -5.215 18.413 -3.409 1.00 0.00 C ATOM 103 O GLN A 10 -4.016 18.496 -3.679 1.00 0.00 O ATOM 104 CB GLN A 10 -6.607 19.883 -4.877 1.00 0.00 C ATOM 105 CG GLN A 10 -7.027 18.611 -5.595 1.00 0.00 C ATOM 106 CD GLN A 10 -8.321 18.035 -5.054 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.375 18.667 -5.130 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.248 16.830 -4.502 1.00 0.00 N ATOM 0 H GLN A 10 -4.397 20.696 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.969 19.471 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.452 20.571 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.818 20.370 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.144 18.820 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.236 17.867 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.354 16.342 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.086 16.392 -4.120 1.00 0.00 H new ATOM 117 N VAL A 11 -5.802 17.271 -3.068 1.00 0.00 N ATOM 118 CA VAL A 11 -5.055 16.020 -2.992 1.00 0.00 C ATOM 119 C VAL A 11 -4.995 15.333 -4.352 1.00 0.00 C ATOM 120 O VAL A 11 -6.025 15.091 -4.982 1.00 0.00 O ATOM 121 CB VAL A 11 -5.681 15.054 -1.968 1.00 0.00 C ATOM 122 CG1 VAL A 11 -7.175 14.912 -2.212 1.00 0.00 C ATOM 123 CG2 VAL A 11 -4.992 13.700 -2.025 1.00 0.00 C ATOM 0 H VAL A 11 -6.792 17.185 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.045 16.273 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.539 15.467 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.600 14.226 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.654 15.887 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.344 14.521 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.446 13.030 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.102 13.278 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.933 13.821 -1.797 1.00 0.00 H new ATOM 133 N ILE A 12 -3.783 15.021 -4.798 1.00 0.00 N ATOM 134 CA ILE A 12 -3.589 14.360 -6.082 1.00 0.00 C ATOM 135 C ILE A 12 -3.302 12.874 -5.897 1.00 0.00 C ATOM 136 O ILE A 12 -2.425 12.493 -5.122 1.00 0.00 O ATOM 137 CB ILE A 12 -2.434 15.000 -6.875 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.747 16.466 -7.180 1.00 0.00 C ATOM 139 CG2 ILE A 12 -2.184 14.227 -8.162 1.00 0.00 C ATOM 140 CD1 ILE A 12 -4.036 16.662 -7.946 1.00 0.00 C ATOM 0 H ILE A 12 -2.921 15.215 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.515 14.481 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.529 14.960 -6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.803 17.020 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.924 16.893 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.365 14.691 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.922 13.196 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.085 14.239 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.194 17.725 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.976 16.137 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.869 16.265 -7.365 1.00 0.00 H new ATOM 152 N GLN A 13 -4.045 12.039 -6.616 1.00 0.00 N ATOM 153 CA GLN A 13 -3.870 10.594 -6.533 1.00 0.00 C ATOM 154 C GLN A 13 -3.494 10.012 -7.891 1.00 0.00 C ATOM 155 O GLN A 13 -4.351 9.637 -8.692 1.00 0.00 O ATOM 156 CB GLN A 13 -5.149 9.933 -6.017 1.00 0.00 C ATOM 157 CG GLN A 13 -5.257 9.917 -4.500 1.00 0.00 C ATOM 158 CD GLN A 13 -6.039 8.726 -3.983 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.721 8.039 -4.744 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.945 8.475 -2.683 1.00 0.00 N ATOM 0 H GLN A 13 -4.774 12.339 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.058 10.391 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.011 10.458 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.193 8.909 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.256 9.905 -4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.738 10.836 -4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.368 9.071 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.450 7.687 -2.278 1.00 0.00 H new ATOM 169 N PRO A 14 -2.182 9.933 -8.160 1.00 0.00 N ATOM 170 CA PRO A 14 -1.664 9.397 -9.421 1.00 0.00 C ATOM 171 C PRO A 14 -1.879 7.892 -9.544 1.00 0.00 C ATOM 172 O PRO A 14 -2.372 7.408 -10.562 1.00 0.00 O ATOM 173 CB PRO A 14 -0.169 9.719 -9.356 1.00 0.00 C ATOM 174 CG PRO A 14 0.136 9.811 -7.900 1.00 0.00 C ATOM 175 CD PRO A 14 -1.105 10.361 -7.252 1.00 0.00 C ATOM 0 HA PRO A 14 -2.170 9.828 -10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.425 8.941 -9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.057 10.654 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.389 8.833 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.992 10.462 -7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.244 9.962 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.064 11.446 -7.161 1.00 0.00 H new ATOM 183 N GLU A 15 -1.506 7.158 -8.500 1.00 0.00 N ATOM 184 CA GLU A 15 -1.659 5.708 -8.492 1.00 0.00 C ATOM 185 C GLU A 15 -3.108 5.315 -8.216 1.00 0.00 C ATOM 186 O GLU A 15 -3.497 5.100 -7.068 1.00 0.00 O ATOM 187 CB GLU A 15 -0.740 5.081 -7.442 1.00 0.00 C ATOM 188 CG GLU A 15 0.683 4.866 -7.929 1.00 0.00 C ATOM 189 CD GLU A 15 0.782 3.775 -8.977 1.00 0.00 C ATOM 190 OE1 GLU A 15 -0.089 2.881 -8.988 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.732 3.815 -9.787 1.00 0.00 O ATOM 0 H GLU A 15 -1.096 7.544 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.381 5.334 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.720 5.721 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.157 4.123 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.066 5.799 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.318 4.609 -7.081 1.00 0.00 H new ATOM 198 N LYS A 16 -3.903 5.224 -9.277 1.00 0.00 N ATOM 199 CA LYS A 16 -5.308 4.857 -9.151 1.00 0.00 C ATOM 200 C LYS A 16 -5.474 3.646 -8.239 1.00 0.00 C ATOM 201 O LYS A 16 -6.457 3.540 -7.505 1.00 0.00 O ATOM 202 CB LYS A 16 -5.903 4.556 -10.529 1.00 0.00 C ATOM 203 CG LYS A 16 -7.304 3.971 -10.472 1.00 0.00 C ATOM 204 CD LYS A 16 -8.355 5.057 -10.314 1.00 0.00 C ATOM 205 CE LYS A 16 -9.756 4.469 -10.235 1.00 0.00 C ATOM 206 NZ LYS A 16 -10.124 3.744 -11.483 1.00 0.00 N ATOM 0 H LYS A 16 -3.598 5.400 -10.234 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.840 5.699 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.926 5.475 -11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.249 3.860 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.500 3.403 -11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.374 3.272 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.150 5.635 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.296 5.747 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.816 3.787 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.475 5.267 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.146 3.550 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.882 4.329 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.601 2.846 -11.530 1.00 0.00 H new ATOM 220 N SER A 17 -4.507 2.735 -8.289 1.00 0.00 N ATOM 221 CA SER A 17 -4.548 1.531 -7.468 1.00 0.00 C ATOM 222 C SER A 17 -3.153 0.933 -7.310 1.00 0.00 C ATOM 223 O SER A 17 -2.349 0.951 -8.242 1.00 0.00 O ATOM 224 CB SER A 17 -5.491 0.497 -8.089 1.00 0.00 C ATOM 225 OG SER A 17 -4.899 -0.119 -9.220 1.00 0.00 O ATOM 0 H SER A 17 -3.686 2.808 -8.890 1.00 0.00 H new ATOM 0 HA SER A 17 -4.920 1.806 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.743 -0.262 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.424 0.980 -8.380 1.00 0.00 H new ATOM 0 HG SER A 17 -5.520 -0.776 -9.597 1.00 0.00 H new ATOM 231 N VAL A 18 -2.874 0.405 -6.123 1.00 0.00 N ATOM 232 CA VAL A 18 -1.577 -0.199 -5.842 1.00 0.00 C ATOM 233 C VAL A 18 -1.638 -1.717 -5.972 1.00 0.00 C ATOM 234 O VAL A 18 -2.640 -2.341 -5.623 1.00 0.00 O ATOM 235 CB VAL A 18 -1.083 0.164 -4.429 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.294 -0.429 -4.175 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.065 1.674 -4.243 1.00 0.00 C ATOM 0 H VAL A 18 -3.528 0.383 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.877 0.198 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.774 -0.261 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.626 -0.162 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.245 -1.514 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.000 -0.037 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.713 1.913 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.397 2.123 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.072 2.069 -4.378 1.00 0.00 H new ATOM 247 N SER A 19 -0.558 -2.306 -6.476 1.00 0.00 N ATOM 248 CA SER A 19 -0.490 -3.752 -6.655 1.00 0.00 C ATOM 249 C SER A 19 0.683 -4.341 -5.877 1.00 0.00 C ATOM 250 O SER A 19 1.842 -4.026 -6.146 1.00 0.00 O ATOM 251 CB SER A 19 -0.356 -4.097 -8.140 1.00 0.00 C ATOM 252 OG SER A 19 0.952 -3.822 -8.611 1.00 0.00 O ATOM 0 H SER A 19 0.281 -1.805 -6.767 1.00 0.00 H new ATOM 0 HA SER A 19 -1.413 -4.185 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.587 -5.151 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.082 -3.524 -8.717 1.00 0.00 H new ATOM 0 HG SER A 19 1.509 -3.513 -7.867 1.00 0.00 H new ATOM 258 N VAL A 20 0.372 -5.199 -4.910 1.00 0.00 N ATOM 259 CA VAL A 20 1.398 -5.834 -4.092 1.00 0.00 C ATOM 260 C VAL A 20 1.058 -7.295 -3.820 1.00 0.00 C ATOM 261 O VAL A 20 0.075 -7.821 -4.340 1.00 0.00 O ATOM 262 CB VAL A 20 1.578 -5.101 -2.749 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.649 -4.027 -2.866 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.258 -4.502 -2.288 1.00 0.00 C ATOM 0 H VAL A 20 -0.583 -5.470 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 20 2.330 -5.780 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 20 1.903 -5.824 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.762 -3.520 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.596 -4.487 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.357 -3.303 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.404 -3.988 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.099 -3.792 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.478 -5.296 -2.162 1.00 0.00 H new ATOM 274 N ALA A 21 1.878 -7.945 -3.001 1.00 0.00 N ATOM 275 CA ALA A 21 1.663 -9.345 -2.657 1.00 0.00 C ATOM 276 C ALA A 21 1.720 -9.555 -1.148 1.00 0.00 C ATOM 277 O ALA A 21 2.506 -8.912 -0.452 1.00 0.00 O ATOM 278 CB ALA A 21 2.691 -10.224 -3.354 1.00 0.00 C ATOM 0 H ALA A 21 2.698 -7.524 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 21 0.668 -9.628 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.518 -11.267 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.599 -10.105 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.693 -9.931 -3.040 1.00 0.00 H new ATOM 284 N ALA A 22 0.882 -10.457 -0.649 1.00 0.00 N ATOM 285 CA ALA A 22 0.839 -10.753 0.778 1.00 0.00 C ATOM 286 C ALA A 22 2.245 -10.869 1.358 1.00 0.00 C ATOM 287 O ALA A 22 2.901 -11.900 1.219 1.00 0.00 O ATOM 288 CB ALA A 22 0.056 -12.032 1.029 1.00 0.00 C ATOM 0 H ALA A 22 0.223 -10.996 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 22 0.334 -9.927 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.032 -12.240 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.963 -11.913 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.536 -12.861 0.509 1.00 0.00 H new ATOM 294 N GLY A 23 2.702 -9.803 2.008 1.00 0.00 N ATOM 295 CA GLY A 23 4.028 -9.806 2.598 1.00 0.00 C ATOM 296 C GLY A 23 4.942 -8.768 1.976 1.00 0.00 C ATOM 297 O GLY A 23 6.123 -8.691 2.313 1.00 0.00 O ATOM 0 H GLY A 23 2.178 -8.938 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.946 -9.619 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.472 -10.794 2.480 1.00 0.00 H new ATOM 301 N GLU A 24 4.395 -7.970 1.064 1.00 0.00 N ATOM 302 CA GLU A 24 5.170 -6.934 0.393 1.00 0.00 C ATOM 303 C GLU A 24 4.851 -5.557 0.967 1.00 0.00 C ATOM 304 O GLU A 24 4.058 -5.430 1.900 1.00 0.00 O ATOM 305 CB GLU A 24 4.889 -6.950 -1.111 1.00 0.00 C ATOM 306 CG GLU A 24 5.323 -8.234 -1.798 1.00 0.00 C ATOM 307 CD GLU A 24 6.831 -8.380 -1.862 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.525 -7.345 -1.945 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.317 -9.530 -1.829 1.00 0.00 O ATOM 0 H GLU A 24 3.419 -8.022 0.773 1.00 0.00 H new ATOM 0 HA GLU A 24 6.227 -7.141 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.821 -6.804 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.401 -6.108 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.901 -9.087 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.916 -8.256 -2.809 1.00 0.00 H new ATOM 316 N SER A 25 5.474 -4.528 0.402 1.00 0.00 N ATOM 317 CA SER A 25 5.260 -3.160 0.859 1.00 0.00 C ATOM 318 C SER A 25 4.426 -2.374 -0.148 1.00 0.00 C ATOM 319 O SER A 25 4.806 -2.234 -1.310 1.00 0.00 O ATOM 320 CB SER A 25 6.602 -2.459 1.084 1.00 0.00 C ATOM 321 OG SER A 25 7.349 -2.391 -0.118 1.00 0.00 O ATOM 0 H SER A 25 6.131 -4.616 -0.373 1.00 0.00 H new ATOM 0 HA SER A 25 4.716 -3.200 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.431 -1.453 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.174 -2.995 1.841 1.00 0.00 H new ATOM 0 HG SER A 25 6.738 -2.288 -0.877 1.00 0.00 H new ATOM 327 N ALA A 26 3.287 -1.864 0.307 1.00 0.00 N ATOM 328 CA ALA A 26 2.399 -1.091 -0.552 1.00 0.00 C ATOM 329 C ALA A 26 2.709 0.400 -0.464 1.00 0.00 C ATOM 330 O ALA A 26 2.793 0.964 0.627 1.00 0.00 O ATOM 331 CB ALA A 26 0.946 -1.352 -0.182 1.00 0.00 C ATOM 0 H ALA A 26 2.957 -1.972 1.266 1.00 0.00 H new ATOM 0 HA ALA A 26 2.563 -1.410 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.294 -0.768 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.724 -2.412 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.777 -1.063 0.855 1.00 0.00 H new ATOM 337 N THR A 27 2.881 1.033 -1.620 1.00 0.00 N ATOM 338 CA THR A 27 3.185 2.458 -1.673 1.00 0.00 C ATOM 339 C THR A 27 1.951 3.269 -2.052 1.00 0.00 C ATOM 340 O THR A 27 1.475 3.202 -3.186 1.00 0.00 O ATOM 341 CB THR A 27 4.310 2.755 -2.682 1.00 0.00 C ATOM 342 OG1 THR A 27 5.411 1.866 -2.464 1.00 0.00 O ATOM 343 CG2 THR A 27 4.782 4.196 -2.557 1.00 0.00 C ATOM 0 H THR A 27 2.815 0.582 -2.532 1.00 0.00 H new ATOM 0 HA THR A 27 3.516 2.748 -0.676 1.00 0.00 H new ATOM 0 HB THR A 27 3.916 2.604 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.121 2.060 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.577 4.383 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.948 4.870 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.160 4.369 -1.549 1.00 0.00 H new ATOM 351 N LEU A 28 1.437 4.036 -1.096 1.00 0.00 N ATOM 352 CA LEU A 28 0.258 4.862 -1.330 1.00 0.00 C ATOM 353 C LEU A 28 0.656 6.269 -1.761 1.00 0.00 C ATOM 354 O LEU A 28 1.303 7.000 -1.011 1.00 0.00 O ATOM 355 CB LEU A 28 -0.602 4.928 -0.066 1.00 0.00 C ATOM 356 CG LEU A 28 -0.975 3.584 0.563 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.527 3.786 1.965 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.984 2.850 -0.309 1.00 0.00 C ATOM 0 H LEU A 28 1.818 4.103 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.321 4.406 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.072 5.521 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.521 5.463 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.074 2.975 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.787 2.819 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.774 4.270 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.417 4.414 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.238 1.896 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.885 3.455 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.552 2.672 -1.294 1.00 0.00 H new ATOM 370 N ARG A 29 0.263 6.644 -2.974 1.00 0.00 N ATOM 371 CA ARG A 29 0.578 7.965 -3.506 1.00 0.00 C ATOM 372 C ARG A 29 -0.354 9.022 -2.921 1.00 0.00 C ATOM 373 O ARG A 29 -1.555 8.796 -2.778 1.00 0.00 O ATOM 374 CB ARG A 29 0.471 7.963 -5.032 1.00 0.00 C ATOM 375 CG ARG A 29 1.696 7.392 -5.728 1.00 0.00 C ATOM 376 CD ARG A 29 2.803 8.428 -5.843 1.00 0.00 C ATOM 377 NE ARG A 29 4.081 7.823 -6.209 1.00 0.00 N ATOM 378 CZ ARG A 29 5.109 8.513 -6.691 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.009 9.824 -6.865 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.240 7.891 -7.001 1.00 0.00 N ATOM 0 H ARG A 29 -0.274 6.052 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 29 1.601 8.210 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.405 7.385 -5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.310 8.984 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.061 6.527 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.420 7.040 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.527 9.172 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.909 8.953 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 29 4.190 6.816 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.141 10.305 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.800 10.351 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.320 6.883 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.029 8.421 -7.371 1.00 0.00 H new ATOM 394 N CYS A 30 0.209 10.178 -2.584 1.00 0.00 N ATOM 395 CA CYS A 30 -0.569 11.270 -2.013 1.00 0.00 C ATOM 396 C CYS A 30 0.253 12.555 -1.962 1.00 0.00 C ATOM 397 O CYS A 30 1.331 12.591 -1.369 1.00 0.00 O ATOM 398 CB CYS A 30 -1.050 10.903 -0.608 1.00 0.00 C ATOM 399 SG CYS A 30 -2.150 12.142 0.149 1.00 0.00 S ATOM 0 H CYS A 30 1.202 10.382 -2.697 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.435 11.438 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.573 9.948 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.182 10.762 0.036 1.00 0.00 H new ATOM 404 N ALA A 31 -0.264 13.608 -2.587 1.00 0.00 N ATOM 405 CA ALA A 31 0.420 14.894 -2.611 1.00 0.00 C ATOM 406 C ALA A 31 -0.573 16.041 -2.769 1.00 0.00 C ATOM 407 O ALA A 31 -1.510 15.957 -3.562 1.00 0.00 O ATOM 408 CB ALA A 31 1.448 14.925 -3.732 1.00 0.00 C ATOM 0 H ALA A 31 -1.155 13.595 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 31 0.934 15.022 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.951 15.892 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.182 14.135 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.948 14.770 -4.688 1.00 0.00 H new ATOM 414 N MET A 32 -0.360 17.111 -2.010 1.00 0.00 N ATOM 415 CA MET A 32 -1.237 18.275 -2.068 1.00 0.00 C ATOM 416 C MET A 32 -0.642 19.360 -2.960 1.00 0.00 C ATOM 417 O MET A 32 0.574 19.551 -2.996 1.00 0.00 O ATOM 418 CB MET A 32 -1.477 18.829 -0.662 1.00 0.00 C ATOM 419 CG MET A 32 -1.974 17.785 0.325 1.00 0.00 C ATOM 420 SD MET A 32 -3.517 17.013 -0.198 1.00 0.00 S ATOM 421 CE MET A 32 -3.389 15.419 0.610 1.00 0.00 C ATOM 0 H MET A 32 0.411 17.196 -1.348 1.00 0.00 H new ATOM 0 HA MET A 32 -2.189 17.961 -2.495 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.549 19.260 -0.286 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.204 19.639 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.211 17.016 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.118 18.252 1.300 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.377 14.962 0.673 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.726 14.772 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.986 15.551 1.614 1.00 0.00 H new ATOM 431 N THR A 33 -1.506 20.069 -3.679 1.00 0.00 N ATOM 432 CA THR A 33 -1.066 21.133 -4.572 1.00 0.00 C ATOM 433 C THR A 33 -0.544 22.330 -3.785 1.00 0.00 C ATOM 434 O THR A 33 -0.022 23.284 -4.361 1.00 0.00 O ATOM 435 CB THR A 33 -2.207 21.599 -5.496 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.116 22.434 -4.770 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.957 20.408 -6.073 1.00 0.00 C ATOM 0 H THR A 33 -2.516 19.925 -3.660 1.00 0.00 H new ATOM 0 HA THR A 33 -0.261 20.722 -5.181 1.00 0.00 H new ATOM 0 HB THR A 33 -1.770 22.166 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.837 22.727 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.758 20.762 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.269 19.790 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.382 19.818 -5.261 1.00 0.00 H new ATOM 445 N SER A 34 -0.689 22.273 -2.465 1.00 0.00 N ATOM 446 CA SER A 34 -0.234 23.354 -1.599 1.00 0.00 C ATOM 447 C SER A 34 -0.306 22.942 -0.132 1.00 0.00 C ATOM 448 O SER A 34 -0.927 21.936 0.213 1.00 0.00 O ATOM 449 CB SER A 34 -1.078 24.610 -1.829 1.00 0.00 C ATOM 450 OG SER A 34 -0.317 25.784 -1.602 1.00 0.00 O ATOM 0 H SER A 34 -1.118 21.490 -1.972 1.00 0.00 H new ATOM 0 HA SER A 34 0.805 23.572 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.461 24.613 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.942 24.598 -1.164 1.00 0.00 H new ATOM 0 HG SER A 34 -0.878 26.573 -1.757 1.00 0.00 H new ATOM 456 N LEU A 35 0.333 23.727 0.729 1.00 0.00 N ATOM 457 CA LEU A 35 0.343 23.445 2.160 1.00 0.00 C ATOM 458 C LEU A 35 -0.737 24.246 2.880 1.00 0.00 C ATOM 459 O LEU A 35 -0.978 24.050 4.072 1.00 0.00 O ATOM 460 CB LEU A 35 1.715 23.767 2.754 1.00 0.00 C ATOM 461 CG LEU A 35 2.919 23.172 2.023 1.00 0.00 C ATOM 462 CD1 LEU A 35 4.145 24.054 2.209 1.00 0.00 C ATOM 463 CD2 LEU A 35 3.197 21.759 2.515 1.00 0.00 C ATOM 0 H LEU A 35 0.851 24.564 0.461 1.00 0.00 H new ATOM 0 HA LEU A 35 0.135 22.384 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.831 24.850 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.733 23.418 3.786 1.00 0.00 H new ATOM 0 HG LEU A 35 2.687 23.126 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.992 23.615 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.943 25.047 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.379 24.132 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.057 21.351 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.408 21.781 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.325 21.131 2.330 1.00 0.00 H new ATOM 475 N ILE A 36 -1.383 25.148 2.149 1.00 0.00 N ATOM 476 CA ILE A 36 -2.439 25.976 2.718 1.00 0.00 C ATOM 477 C ILE A 36 -3.808 25.565 2.186 1.00 0.00 C ATOM 478 O ILE A 36 -3.989 25.319 0.993 1.00 0.00 O ATOM 479 CB ILE A 36 -2.210 27.469 2.413 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.835 27.910 2.919 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.308 28.313 3.042 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.582 27.554 4.367 1.00 0.00 C ATOM 0 H ILE A 36 -1.194 25.324 1.162 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.411 25.825 3.797 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.242 27.613 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.064 27.450 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.741 28.989 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.132 29.365 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.275 28.013 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.305 28.167 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.411 27.897 4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.331 28.035 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.644 26.473 4.492 1.00 0.00 H new ATOM 494 N PRO A 37 -4.796 25.488 3.090 1.00 0.00 N ATOM 495 CA PRO A 37 -4.591 25.778 4.512 1.00 0.00 C ATOM 496 C PRO A 37 -3.743 24.715 5.204 1.00 0.00 C ATOM 497 O PRO A 37 -3.780 23.541 4.836 1.00 0.00 O ATOM 498 CB PRO A 37 -6.012 25.782 5.081 1.00 0.00 C ATOM 499 CG PRO A 37 -6.794 24.915 4.155 1.00 0.00 C ATOM 500 CD PRO A 37 -6.188 25.113 2.793 1.00 0.00 C ATOM 0 HA PRO A 37 -4.053 26.714 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.032 25.393 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.421 26.792 5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.739 23.870 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.848 25.192 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.240 24.204 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.704 25.893 2.233 1.00 0.00 H new ATOM 508 N VAL A 38 -2.981 25.135 6.208 1.00 0.00 N ATOM 509 CA VAL A 38 -2.125 24.219 6.953 1.00 0.00 C ATOM 510 C VAL A 38 -2.939 23.093 7.581 1.00 0.00 C ATOM 511 O VAL A 38 -4.100 23.281 7.944 1.00 0.00 O ATOM 512 CB VAL A 38 -1.346 24.953 8.060 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.274 25.335 9.203 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.195 24.094 8.561 1.00 0.00 C ATOM 0 H VAL A 38 -2.939 26.104 6.525 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.417 23.797 6.239 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.930 25.869 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.706 25.853 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.060 25.991 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.722 24.435 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.344 24.629 9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.587 23.160 8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.483 23.877 7.736 1.00 0.00 H new ATOM 524 N GLY A 39 -2.322 21.922 7.706 1.00 0.00 N ATOM 525 CA GLY A 39 -3.005 20.783 8.291 1.00 0.00 C ATOM 526 C GLY A 39 -2.233 19.490 8.112 1.00 0.00 C ATOM 527 O GLY A 39 -1.536 19.291 7.118 1.00 0.00 O ATOM 0 H GLY A 39 -1.362 21.742 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.163 20.964 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.990 20.681 7.836 1.00 0.00 H new ATOM 531 N PRO A 40 -2.353 18.585 9.094 1.00 0.00 N ATOM 532 CA PRO A 40 -1.667 17.290 9.065 1.00 0.00 C ATOM 533 C PRO A 40 -2.236 16.356 8.002 1.00 0.00 C ATOM 534 O PRO A 40 -3.068 16.761 7.189 1.00 0.00 O ATOM 535 CB PRO A 40 -1.919 16.723 10.464 1.00 0.00 C ATOM 536 CG PRO A 40 -3.176 17.381 10.919 1.00 0.00 C ATOM 537 CD PRO A 40 -3.168 18.755 10.309 1.00 0.00 C ATOM 0 HA PRO A 40 -0.611 17.394 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.027 15.639 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.090 16.945 11.136 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.051 16.816 10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.215 17.437 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.176 19.095 10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.733 19.492 10.984 1.00 0.00 H new ATOM 545 N ILE A 41 -1.783 15.107 8.014 1.00 0.00 N ATOM 546 CA ILE A 41 -2.249 14.117 7.051 1.00 0.00 C ATOM 547 C ILE A 41 -2.670 12.828 7.749 1.00 0.00 C ATOM 548 O ILE A 41 -1.929 12.283 8.566 1.00 0.00 O ATOM 549 CB ILE A 41 -1.164 13.792 6.007 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.773 15.055 5.237 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.654 12.713 5.053 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.898 15.626 4.402 1.00 0.00 C ATOM 0 H ILE A 41 -1.094 14.757 8.680 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.110 14.551 6.544 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.281 13.417 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.436 15.812 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.072 14.828 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.877 12.494 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.888 11.809 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.549 13.062 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.549 16.520 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.220 14.885 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.736 15.885 5.049 1.00 0.00 H new ATOM 564 N MET A 42 -3.863 12.345 7.418 1.00 0.00 N ATOM 565 CA MET A 42 -4.381 11.117 8.011 1.00 0.00 C ATOM 566 C MET A 42 -4.992 10.214 6.944 1.00 0.00 C ATOM 567 O MET A 42 -5.846 10.644 6.169 1.00 0.00 O ATOM 568 CB MET A 42 -5.426 11.443 9.080 1.00 0.00 C ATOM 569 CG MET A 42 -4.825 11.923 10.391 1.00 0.00 C ATOM 570 SD MET A 42 -6.068 12.180 11.671 1.00 0.00 S ATOM 571 CE MET A 42 -5.584 13.788 12.295 1.00 0.00 C ATOM 0 H MET A 42 -4.489 12.785 6.743 1.00 0.00 H new ATOM 0 HA MET A 42 -3.549 10.588 8.476 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.099 12.209 8.696 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.029 10.555 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.095 11.193 10.740 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.287 12.855 10.220 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.849 13.864 13.349 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.507 13.913 12.182 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.101 14.567 11.734 1.00 0.00 H new ATOM 581 N TRP A 43 -4.549 8.962 6.911 1.00 0.00 N ATOM 582 CA TRP A 43 -5.052 7.999 5.938 1.00 0.00 C ATOM 583 C TRP A 43 -6.218 7.203 6.514 1.00 0.00 C ATOM 584 O TRP A 43 -6.273 6.947 7.717 1.00 0.00 O ATOM 585 CB TRP A 43 -3.935 7.050 5.504 1.00 0.00 C ATOM 586 CG TRP A 43 -2.954 7.678 4.561 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.829 8.377 4.893 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.013 7.666 3.130 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.185 8.800 3.756 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.891 8.376 2.661 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.903 7.122 2.200 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.639 8.556 1.303 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.651 7.302 0.853 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.527 8.013 0.415 1.00 0.00 C ATOM 0 H TRP A 43 -3.843 8.590 7.546 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.408 8.551 5.068 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.404 6.698 6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.377 6.175 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.495 8.569 5.902 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.321 9.342 3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.772 6.571 2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.773 9.105 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.333 6.887 0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.358 8.135 -0.645 1.00 0.00 H new ATOM 605 N PHE A 44 -7.148 6.813 5.649 1.00 0.00 N ATOM 606 CA PHE A 44 -8.314 6.046 6.073 1.00 0.00 C ATOM 607 C PHE A 44 -8.785 5.113 4.960 1.00 0.00 C ATOM 608 O PHE A 44 -9.150 5.561 3.873 1.00 0.00 O ATOM 609 CB PHE A 44 -9.449 6.987 6.480 1.00 0.00 C ATOM 610 CG PHE A 44 -9.090 7.905 7.613 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.469 9.119 7.368 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.375 7.555 8.923 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.136 9.966 8.409 1.00 0.00 C ATOM 614 CE2 PHE A 44 -9.045 8.398 9.968 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.426 9.605 9.710 1.00 0.00 C ATOM 0 H PHE A 44 -7.117 7.015 4.650 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.027 5.441 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.741 7.585 5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.318 6.393 6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.242 9.407 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.861 6.613 9.130 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.650 10.909 8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.271 8.113 10.985 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.169 10.266 10.525 1.00 0.00 H new ATOM 625 N ARG A 45 -8.772 3.815 5.241 1.00 0.00 N ATOM 626 CA ARG A 45 -9.196 2.818 4.265 1.00 0.00 C ATOM 627 C ARG A 45 -10.692 2.544 4.382 1.00 0.00 C ATOM 628 O ARG A 45 -11.168 2.068 5.412 1.00 0.00 O ATOM 629 CB ARG A 45 -8.412 1.519 4.458 1.00 0.00 C ATOM 630 CG ARG A 45 -8.966 0.349 3.661 1.00 0.00 C ATOM 631 CD ARG A 45 -7.990 -0.817 3.630 1.00 0.00 C ATOM 632 NE ARG A 45 -7.666 -1.294 4.972 1.00 0.00 N ATOM 633 CZ ARG A 45 -8.391 -2.194 5.627 1.00 0.00 C ATOM 634 NH1 ARG A 45 -9.476 -2.710 5.067 1.00 0.00 N ATOM 635 NH2 ARG A 45 -8.032 -2.578 6.845 1.00 0.00 N ATOM 0 H ARG A 45 -8.473 3.429 6.136 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.993 3.212 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.374 1.685 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.411 1.259 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.909 0.023 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.182 0.671 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.419 -1.633 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.075 -0.511 3.123 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.838 -0.915 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.756 -2.416 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.031 -3.401 5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.198 -2.182 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.590 -3.269 7.347 1.00 0.00 H new ATOM 649 N GLY A 46 -11.430 2.849 3.318 1.00 0.00 N ATOM 650 CA GLY A 46 -12.864 2.629 3.323 1.00 0.00 C ATOM 651 C GLY A 46 -13.642 3.884 3.666 1.00 0.00 C ATOM 652 O GLY A 46 -14.616 3.833 4.416 1.00 0.00 O ATOM 0 H GLY A 46 -11.060 3.244 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.176 2.268 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.106 1.847 4.043 1.00 0.00 H new ATOM 656 N ALA A 47 -13.209 5.015 3.118 1.00 0.00 N ATOM 657 CA ALA A 47 -13.872 6.289 3.371 1.00 0.00 C ATOM 658 C ALA A 47 -15.377 6.103 3.528 1.00 0.00 C ATOM 659 O ALA A 47 -15.969 5.214 2.918 1.00 0.00 O ATOM 660 CB ALA A 47 -13.573 7.271 2.247 1.00 0.00 C ATOM 0 H ALA A 47 -12.403 5.075 2.496 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.484 6.694 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.074 8.218 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.497 7.436 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.933 6.864 1.302 1.00 0.00 H new ATOM 690 N ARG A 51 -14.608 3.405 7.608 1.00 0.00 N ATOM 691 CA ARG A 51 -13.186 3.558 7.325 1.00 0.00 C ATOM 692 C ARG A 51 -12.353 3.309 8.579 1.00 0.00 C ATOM 693 O ARG A 51 -12.759 3.662 9.685 1.00 0.00 O ATOM 694 CB ARG A 51 -12.901 4.959 6.780 1.00 0.00 C ATOM 695 CG ARG A 51 -13.153 6.068 7.789 1.00 0.00 C ATOM 696 CD ARG A 51 -13.228 7.428 7.114 1.00 0.00 C ATOM 697 NE ARG A 51 -13.936 8.408 7.934 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.113 9.675 7.576 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.637 10.113 6.419 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.768 10.506 8.376 1.00 0.00 N ATOM 0 HA ARG A 51 -12.909 2.820 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.863 5.008 6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.522 5.131 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.084 5.873 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.356 6.073 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.219 7.787 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.732 7.328 6.153 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.315 8.103 8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.133 9.477 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.774 11.086 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.136 10.172 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.903 11.479 8.100 1.00 0.00 H new ATOM 714 N GLU A 52 -11.187 2.698 8.396 1.00 0.00 N ATOM 715 CA GLU A 52 -10.298 2.400 9.513 1.00 0.00 C ATOM 716 C GLU A 52 -8.964 3.124 9.354 1.00 0.00 C ATOM 717 O GLU A 52 -8.117 2.721 8.554 1.00 0.00 O ATOM 718 CB GLU A 52 -10.063 0.892 9.619 1.00 0.00 C ATOM 719 CG GLU A 52 -9.302 0.481 10.868 1.00 0.00 C ATOM 720 CD GLU A 52 -9.053 -1.014 10.934 1.00 0.00 C ATOM 721 OE1 GLU A 52 -8.149 -1.496 10.219 1.00 0.00 O ATOM 722 OE2 GLU A 52 -9.760 -1.701 11.700 1.00 0.00 O ATOM 0 H GLU A 52 -10.836 2.400 7.486 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.776 2.751 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.026 0.381 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.512 0.556 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.347 1.006 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.863 0.791 11.749 1.00 0.00 H new ATOM 729 N LEU A 53 -8.783 4.194 10.120 1.00 0.00 N ATOM 730 CA LEU A 53 -7.552 4.975 10.065 1.00 0.00 C ATOM 731 C LEU A 53 -6.354 4.083 9.756 1.00 0.00 C ATOM 732 O LEU A 53 -6.159 3.046 10.391 1.00 0.00 O ATOM 733 CB LEU A 53 -7.329 5.706 11.390 1.00 0.00 C ATOM 734 CG LEU A 53 -6.243 6.782 11.389 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.437 7.737 12.556 1.00 0.00 C ATOM 736 CD2 LEU A 53 -4.862 6.146 11.442 1.00 0.00 C ATOM 0 H LEU A 53 -9.473 4.541 10.787 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.652 5.708 9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.270 6.168 11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.080 4.967 12.152 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.323 7.351 10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.655 8.496 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.412 8.218 12.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.384 7.182 13.493 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.102 6.927 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.770 5.551 12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.724 5.503 10.573 1.00 0.00 H new ATOM 748 N ILE A 54 -5.554 4.494 8.778 1.00 0.00 N ATOM 749 CA ILE A 54 -4.374 3.734 8.387 1.00 0.00 C ATOM 750 C ILE A 54 -3.102 4.375 8.932 1.00 0.00 C ATOM 751 O ILE A 54 -2.200 3.684 9.406 1.00 0.00 O ATOM 752 CB ILE A 54 -4.261 3.617 6.855 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.475 2.879 6.288 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.973 2.904 6.472 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.502 1.407 6.633 1.00 0.00 C ATOM 0 H ILE A 54 -5.702 5.349 8.242 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.486 2.736 8.812 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.238 4.620 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.384 3.349 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.484 2.990 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.908 2.829 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.119 3.467 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.968 1.904 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.390 0.948 6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.611 0.923 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.525 1.288 7.716 1.00 0.00 H new ATOM 767 N TYR A 55 -3.037 5.700 8.862 1.00 0.00 N ATOM 768 CA TYR A 55 -1.875 6.435 9.347 1.00 0.00 C ATOM 769 C TYR A 55 -2.277 7.818 9.851 1.00 0.00 C ATOM 770 O TYR A 55 -3.207 8.434 9.331 1.00 0.00 O ATOM 771 CB TYR A 55 -0.829 6.568 8.239 1.00 0.00 C ATOM 772 CG TYR A 55 0.415 7.314 8.666 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.438 6.664 9.345 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.566 8.667 8.392 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.577 7.342 9.738 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.701 9.352 8.780 1.00 0.00 C ATOM 777 CZ TYR A 55 2.703 8.685 9.453 1.00 0.00 C ATOM 778 OH TYR A 55 3.835 9.364 9.842 1.00 0.00 O ATOM 0 H TYR A 55 -3.775 6.287 8.474 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.445 5.876 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.546 5.573 7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.277 7.082 7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.342 5.612 9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.217 9.193 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.364 6.823 10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.803 10.404 8.558 1.00 0.00 H new ATOM 0 HH TYR A 55 3.766 10.301 9.564 1.00 0.00 H new ATOM 788 N ASN A 56 -1.568 8.300 10.866 1.00 0.00 N ATOM 789 CA ASN A 56 -1.849 9.610 11.441 1.00 0.00 C ATOM 790 C ASN A 56 -0.556 10.340 11.792 1.00 0.00 C ATOM 791 O ASN A 56 0.278 9.821 12.533 1.00 0.00 O ATOM 792 CB ASN A 56 -2.722 9.466 12.690 1.00 0.00 C ATOM 793 CG ASN A 56 -2.900 10.780 13.426 1.00 0.00 C ATOM 794 OD1 ASN A 56 -3.123 10.800 14.636 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.802 11.885 12.696 1.00 0.00 N ATOM 0 H ASN A 56 -0.794 7.803 11.307 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.386 10.198 10.696 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.699 9.078 12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.273 8.735 13.362 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.913 12.798 13.136 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.616 11.820 11.695 1.00 0.00 H new ATOM 802 N GLN A 57 -0.398 11.545 11.255 1.00 0.00 N ATOM 803 CA GLN A 57 0.793 12.345 11.512 1.00 0.00 C ATOM 804 C GLN A 57 0.802 12.865 12.946 1.00 0.00 C ATOM 805 O GLN A 57 1.768 12.667 13.684 1.00 0.00 O ATOM 806 CB GLN A 57 0.867 13.518 10.532 1.00 0.00 C ATOM 807 CG GLN A 57 2.154 14.320 10.639 1.00 0.00 C ATOM 808 CD GLN A 57 2.090 15.629 9.878 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.330 16.531 10.233 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.890 15.741 8.824 1.00 0.00 N ATOM 0 H GLN A 57 -1.080 11.989 10.639 1.00 0.00 H new ATOM 0 HA GLN A 57 1.665 11.706 11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.769 13.138 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.020 14.181 10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.364 14.524 11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.983 13.723 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.504 14.969 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.891 16.599 8.273 1.00 0.00 H new ATOM 819 N LYS A 58 -0.281 13.529 13.336 1.00 0.00 N ATOM 820 CA LYS A 58 -0.400 14.077 14.682 1.00 0.00 C ATOM 821 C LYS A 58 0.242 13.147 15.706 1.00 0.00 C ATOM 822 O LYS A 58 1.166 13.538 16.419 1.00 0.00 O ATOM 823 CB LYS A 58 -1.872 14.303 15.035 1.00 0.00 C ATOM 824 CG LYS A 58 -2.095 14.704 16.482 1.00 0.00 C ATOM 825 CD LYS A 58 -2.071 16.214 16.653 1.00 0.00 C ATOM 826 CE LYS A 58 -0.654 16.729 16.854 1.00 0.00 C ATOM 827 NZ LYS A 58 -0.638 18.160 17.265 1.00 0.00 N ATOM 0 H LYS A 58 -1.090 13.701 12.738 1.00 0.00 H new ATOM 0 HA LYS A 58 0.124 15.033 14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.278 15.078 14.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.431 13.390 14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.053 14.313 16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.325 14.254 17.108 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.511 16.688 15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.686 16.494 17.508 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.153 16.128 17.613 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.090 16.610 15.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.345 18.474 17.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.093 18.737 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.155 18.270 18.161 1.00 0.00 H new ATOM 841 N GLU A 59 -0.253 11.915 15.773 1.00 0.00 N ATOM 842 CA GLU A 59 0.275 10.930 16.710 1.00 0.00 C ATOM 843 C GLU A 59 -0.023 9.511 16.233 1.00 0.00 C ATOM 844 O GLU A 59 -0.552 9.310 15.140 1.00 0.00 O ATOM 845 CB GLU A 59 -0.322 11.147 18.102 1.00 0.00 C ATOM 846 CG GLU A 59 -1.841 11.196 18.113 1.00 0.00 C ATOM 847 CD GLU A 59 -2.468 9.815 18.099 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.202 9.032 19.034 1.00 0.00 O ATOM 849 OE2 GLU A 59 -3.226 9.518 17.151 1.00 0.00 O ATOM 0 H GLU A 59 -1.018 11.575 15.190 1.00 0.00 H new ATOM 0 HA GLU A 59 1.356 11.058 16.762 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.012 10.345 18.760 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.066 12.079 18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.177 11.735 18.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.189 11.758 17.247 1.00 0.00 H new ATOM 856 N GLY A 60 0.321 8.530 17.062 1.00 0.00 N ATOM 857 CA GLY A 60 0.084 7.143 16.708 1.00 0.00 C ATOM 858 C GLY A 60 1.199 6.562 15.861 1.00 0.00 C ATOM 859 O GLY A 60 1.027 6.342 14.661 1.00 0.00 O ATOM 0 H GLY A 60 0.759 8.671 17.972 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.023 6.552 17.618 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.858 7.066 16.165 1.00 0.00 H new ATOM 863 N HIS A 61 2.346 6.314 16.484 1.00 0.00 N ATOM 864 CA HIS A 61 3.495 5.757 15.779 1.00 0.00 C ATOM 865 C HIS A 61 3.171 4.374 15.222 1.00 0.00 C ATOM 866 O HIS A 61 2.931 3.430 15.976 1.00 0.00 O ATOM 867 CB HIS A 61 4.702 5.673 16.713 1.00 0.00 C ATOM 868 CG HIS A 61 5.767 4.735 16.234 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.596 3.368 16.175 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.022 4.975 15.787 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.700 2.808 15.714 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.581 3.761 15.471 1.00 0.00 N ATOM 0 H HIS A 61 2.505 6.490 17.476 1.00 0.00 H new ATOM 0 HA HIS A 61 3.735 6.418 14.947 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.131 6.668 16.829 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.366 5.354 17.700 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.749 2.867 16.445 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.496 5.941 15.696 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.856 1.750 15.562 1.00 0.00 H new ATOM 881 N PHE A 62 3.166 4.261 13.898 1.00 0.00 N ATOM 882 CA PHE A 62 2.870 2.994 13.240 1.00 0.00 C ATOM 883 C PHE A 62 4.115 2.427 12.565 1.00 0.00 C ATOM 884 O PHE A 62 4.715 3.050 11.687 1.00 0.00 O ATOM 885 CB PHE A 62 1.756 3.179 12.207 1.00 0.00 C ATOM 886 CG PHE A 62 0.475 3.699 12.794 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.029 3.247 14.026 1.00 0.00 C ATOM 888 CD2 PHE A 62 -0.283 4.638 12.115 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.150 3.723 14.568 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.463 5.118 12.652 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.897 4.660 13.881 1.00 0.00 C ATOM 0 H PHE A 62 3.364 5.032 13.260 1.00 0.00 H new ATOM 0 HA PHE A 62 2.537 2.288 14.001 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.098 3.868 11.435 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.561 2.224 11.719 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.609 2.515 14.568 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.052 5.000 11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.487 3.362 15.529 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.045 5.850 12.111 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.818 5.034 14.304 1.00 0.00 H new ATOM 901 N PRO A 63 4.516 1.218 12.983 1.00 0.00 N ATOM 902 CA PRO A 63 5.694 0.540 12.432 1.00 0.00 C ATOM 903 C PRO A 63 5.479 0.080 10.995 1.00 0.00 C ATOM 904 O PRO A 63 6.328 0.298 10.130 1.00 0.00 O ATOM 905 CB PRO A 63 5.874 -0.666 13.358 1.00 0.00 C ATOM 906 CG PRO A 63 4.515 -0.926 13.910 1.00 0.00 C ATOM 907 CD PRO A 63 3.850 0.418 14.024 1.00 0.00 C ATOM 0 HA PRO A 63 6.562 1.198 12.393 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.252 -1.531 12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.590 -0.452 14.152 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.948 -1.588 13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.576 -1.415 14.882 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.776 0.350 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.988 0.852 15.014 1.00 0.00 H new ATOM 915 N ARG A 64 4.339 -0.557 10.746 1.00 0.00 N ATOM 916 CA ARG A 64 4.014 -1.048 9.412 1.00 0.00 C ATOM 917 C ARG A 64 4.131 0.068 8.378 1.00 0.00 C ATOM 918 O ARG A 64 4.641 -0.143 7.277 1.00 0.00 O ATOM 919 CB ARG A 64 2.599 -1.630 9.391 1.00 0.00 C ATOM 920 CG ARG A 64 2.350 -2.664 10.478 1.00 0.00 C ATOM 921 CD ARG A 64 0.924 -3.190 10.429 1.00 0.00 C ATOM 922 NE ARG A 64 0.600 -3.772 9.129 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.358 -4.674 8.946 1.00 0.00 C ATOM 924 NH1 ARG A 64 -1.082 -5.095 9.974 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.594 -5.157 7.733 1.00 0.00 N ATOM 0 H ARG A 64 3.625 -0.745 11.450 1.00 0.00 H new ATOM 0 HA ARG A 64 4.727 -1.832 9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.880 -0.819 9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.417 -2.087 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.049 -3.492 10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.542 -2.220 11.455 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.788 -3.941 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.230 -2.378 10.646 1.00 0.00 H new ATOM 0 HE ARG A 64 1.139 -3.469 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.904 -4.726 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.817 -5.788 9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.040 -4.836 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.330 -5.850 7.594 1.00 0.00 H new ATOM 939 N VAL A 65 3.656 1.255 8.740 1.00 0.00 N ATOM 940 CA VAL A 65 3.708 2.405 7.844 1.00 0.00 C ATOM 941 C VAL A 65 5.114 2.991 7.784 1.00 0.00 C ATOM 942 O VAL A 65 5.803 3.089 8.800 1.00 0.00 O ATOM 943 CB VAL A 65 2.724 3.505 8.285 1.00 0.00 C ATOM 944 CG1 VAL A 65 2.781 4.687 7.329 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.311 2.949 8.375 1.00 0.00 C ATOM 0 H VAL A 65 3.231 1.446 9.647 1.00 0.00 H new ATOM 0 HA VAL A 65 3.423 2.048 6.854 1.00 0.00 H new ATOM 0 HB VAL A 65 3.016 3.855 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.079 5.454 7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.790 5.099 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.514 4.356 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.628 3.739 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.006 2.571 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.285 2.138 9.103 1.00 0.00 H new ATOM 955 N THR A 66 5.536 3.381 6.585 1.00 0.00 N ATOM 956 CA THR A 66 6.860 3.957 6.391 1.00 0.00 C ATOM 957 C THR A 66 6.794 5.208 5.522 1.00 0.00 C ATOM 958 O THR A 66 6.598 5.125 4.309 1.00 0.00 O ATOM 959 CB THR A 66 7.824 2.946 5.742 1.00 0.00 C ATOM 960 OG1 THR A 66 7.945 1.784 6.570 1.00 0.00 O ATOM 961 CG2 THR A 66 9.196 3.567 5.526 1.00 0.00 C ATOM 0 H THR A 66 4.979 3.308 5.734 1.00 0.00 H new ATOM 0 HA THR A 66 7.236 4.223 7.379 1.00 0.00 H new ATOM 0 HB THR A 66 7.416 2.660 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.558 1.145 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.859 2.834 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.104 4.434 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.609 3.879 6.485 1.00 0.00 H new ATOM 969 N THR A 67 6.958 6.369 6.149 1.00 0.00 N ATOM 970 CA THR A 67 6.916 7.637 5.433 1.00 0.00 C ATOM 971 C THR A 67 7.922 7.655 4.288 1.00 0.00 C ATOM 972 O THR A 67 9.132 7.621 4.510 1.00 0.00 O ATOM 973 CB THR A 67 7.205 8.823 6.373 1.00 0.00 C ATOM 974 OG1 THR A 67 8.401 8.576 7.120 1.00 0.00 O ATOM 975 CG2 THR A 67 6.043 9.051 7.328 1.00 0.00 C ATOM 0 H THR A 67 7.121 6.457 7.152 1.00 0.00 H new ATOM 0 HA THR A 67 5.908 7.739 5.030 1.00 0.00 H new ATOM 0 HB THR A 67 7.336 9.718 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.095 8.231 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.269 9.893 7.982 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.140 9.267 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.886 8.156 7.930 1.00 0.00 H new ATOM 983 N VAL A 68 7.414 7.711 3.061 1.00 0.00 N ATOM 984 CA VAL A 68 8.268 7.736 1.879 1.00 0.00 C ATOM 985 C VAL A 68 9.278 8.875 1.956 1.00 0.00 C ATOM 986 O VAL A 68 10.478 8.667 1.776 1.00 0.00 O ATOM 987 CB VAL A 68 7.439 7.886 0.590 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.351 7.981 -0.623 1.00 0.00 C ATOM 989 CG2 VAL A 68 6.465 6.726 0.446 1.00 0.00 C ATOM 0 H VAL A 68 6.415 7.740 2.859 1.00 0.00 H new ATOM 0 HA VAL A 68 8.799 6.784 1.852 1.00 0.00 H new ATOM 0 HB VAL A 68 6.863 8.809 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.748 8.087 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.004 8.847 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.956 7.077 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.887 6.848 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.019 5.789 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.790 6.710 1.301 1.00 0.00 H new ATOM 999 N SER A 69 8.785 10.079 2.225 1.00 0.00 N ATOM 1000 CA SER A 69 9.645 11.253 2.322 1.00 0.00 C ATOM 1001 C SER A 69 9.521 11.905 3.696 1.00 0.00 C ATOM 1002 O SER A 69 8.457 11.877 4.314 1.00 0.00 O ATOM 1003 CB SER A 69 9.288 12.265 1.232 1.00 0.00 C ATOM 1004 OG SER A 69 9.602 11.760 -0.055 1.00 0.00 O ATOM 0 H SER A 69 7.795 10.268 2.380 1.00 0.00 H new ATOM 0 HA SER A 69 10.677 10.929 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.225 12.501 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.830 13.195 1.403 1.00 0.00 H new ATOM 0 HG SER A 69 8.809 11.810 -0.629 1.00 0.00 H new ATOM 1010 N GLU A 70 10.617 12.491 4.168 1.00 0.00 N ATOM 1011 CA GLU A 70 10.631 13.149 5.469 1.00 0.00 C ATOM 1012 C GLU A 70 9.562 14.235 5.541 1.00 0.00 C ATOM 1013 O GLU A 70 9.518 15.135 4.701 1.00 0.00 O ATOM 1014 CB GLU A 70 12.009 13.754 5.744 1.00 0.00 C ATOM 1015 CG GLU A 70 12.231 14.128 7.200 1.00 0.00 C ATOM 1016 CD GLU A 70 13.685 14.023 7.615 1.00 0.00 C ATOM 1017 OE1 GLU A 70 14.559 14.445 6.829 1.00 0.00 O ATOM 1018 OE2 GLU A 70 13.950 13.519 8.726 1.00 0.00 O ATOM 0 H GLU A 70 11.506 12.523 3.669 1.00 0.00 H new ATOM 0 HA GLU A 70 10.413 12.399 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.776 13.042 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.136 14.643 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.882 15.147 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.628 13.478 7.834 1.00 0.00 H new ATOM 1025 N LEU A 71 8.703 14.145 6.550 1.00 0.00 N ATOM 1026 CA LEU A 71 7.633 15.120 6.733 1.00 0.00 C ATOM 1027 C LEU A 71 8.092 16.272 7.622 1.00 0.00 C ATOM 1028 O LEU A 71 7.918 17.442 7.279 1.00 0.00 O ATOM 1029 CB LEU A 71 6.403 14.448 7.345 1.00 0.00 C ATOM 1030 CG LEU A 71 5.884 13.208 6.616 1.00 0.00 C ATOM 1031 CD1 LEU A 71 4.877 12.464 7.479 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.263 13.594 5.282 1.00 0.00 C ATOM 0 H LEU A 71 8.726 13.407 7.254 1.00 0.00 H new ATOM 0 HA LEU A 71 7.371 15.522 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.639 14.169 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.598 15.181 7.391 1.00 0.00 H new ATOM 0 HG LEU A 71 6.727 12.545 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.519 11.585 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.354 12.154 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.036 13.120 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.899 12.699 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.431 14.278 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.013 14.082 4.659 1.00 0.00 H new ATOM 1118 N ASN A 76 7.266 20.392 2.937 1.00 0.00 N ATOM 1119 CA ASN A 76 7.179 19.070 2.328 1.00 0.00 C ATOM 1120 C ASN A 76 5.735 18.725 1.980 1.00 0.00 C ATOM 1121 O ASN A 76 4.913 18.480 2.864 1.00 0.00 O ATOM 1122 CB ASN A 76 7.755 18.012 3.272 1.00 0.00 C ATOM 1123 CG ASN A 76 7.437 16.600 2.820 1.00 0.00 C ATOM 1124 OD1 ASN A 76 8.223 15.972 2.111 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.280 16.094 3.230 1.00 0.00 N ATOM 0 HA ASN A 76 7.762 19.082 1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.836 18.136 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.357 18.168 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.012 15.148 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.659 16.651 3.817 1.00 0.00 H new ATOM 1132 N LEU A 77 5.432 18.707 0.687 1.00 0.00 N ATOM 1133 CA LEU A 77 4.086 18.390 0.221 1.00 0.00 C ATOM 1134 C LEU A 77 3.891 16.882 0.103 1.00 0.00 C ATOM 1135 O LEU A 77 2.859 16.347 0.508 1.00 0.00 O ATOM 1136 CB LEU A 77 3.824 19.057 -1.131 1.00 0.00 C ATOM 1137 CG LEU A 77 3.315 20.498 -1.081 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.285 21.102 -2.477 1.00 0.00 C ATOM 1139 CD2 LEU A 77 1.935 20.555 -0.444 1.00 0.00 C ATOM 0 H LEU A 77 6.100 18.908 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 77 3.375 18.773 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.749 19.039 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.097 18.455 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 77 4.000 21.084 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.920 22.128 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.291 21.097 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.623 20.515 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.589 21.588 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.239 19.954 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.987 20.163 0.572 1.00 0.00 H new ATOM 1151 N ASP A 78 4.889 16.203 -0.451 1.00 0.00 N ATOM 1152 CA ASP A 78 4.828 14.756 -0.619 1.00 0.00 C ATOM 1153 C ASP A 78 4.282 14.085 0.638 1.00 0.00 C ATOM 1154 O ASP A 78 4.834 14.242 1.727 1.00 0.00 O ATOM 1155 CB ASP A 78 6.215 14.200 -0.946 1.00 0.00 C ATOM 1156 CG ASP A 78 6.150 12.884 -1.696 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.189 12.689 -2.470 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.060 12.050 -1.509 1.00 0.00 O ATOM 0 H ASP A 78 5.750 16.631 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 78 4.153 14.540 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.763 14.928 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.774 14.060 -0.021 1.00 0.00 H new ATOM 1163 N PHE A 79 3.194 13.339 0.479 1.00 0.00 N ATOM 1164 CA PHE A 79 2.572 12.646 1.602 1.00 0.00 C ATOM 1165 C PHE A 79 2.379 11.166 1.287 1.00 0.00 C ATOM 1166 O PHE A 79 1.411 10.547 1.730 1.00 0.00 O ATOM 1167 CB PHE A 79 1.225 13.288 1.940 1.00 0.00 C ATOM 1168 CG PHE A 79 1.347 14.666 2.523 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.180 14.905 3.605 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.629 15.725 1.990 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.293 16.172 4.143 1.00 0.00 C ATOM 1172 CE2 PHE A 79 0.738 16.995 2.524 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.573 17.219 3.601 1.00 0.00 C ATOM 0 H PHE A 79 2.725 13.199 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 79 3.234 12.732 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.618 13.337 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.694 12.649 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.747 14.091 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.024 15.556 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.944 16.344 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.171 17.811 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.663 18.211 4.019 1.00 0.00 H new ATOM 1183 N SER A 80 3.306 10.604 0.519 1.00 0.00 N ATOM 1184 CA SER A 80 3.237 9.197 0.141 1.00 0.00 C ATOM 1185 C SER A 80 3.831 8.312 1.232 1.00 0.00 C ATOM 1186 O SER A 80 4.946 8.547 1.699 1.00 0.00 O ATOM 1187 CB SER A 80 3.975 8.965 -1.179 1.00 0.00 C ATOM 1188 OG SER A 80 3.709 10.007 -2.102 1.00 0.00 O ATOM 0 H SER A 80 4.115 11.101 0.146 1.00 0.00 H new ATOM 0 HA SER A 80 2.188 8.931 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.047 8.904 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.670 8.010 -1.607 1.00 0.00 H new ATOM 0 HG SER A 80 4.365 10.726 -1.982 1.00 0.00 H new ATOM 1194 N ILE A 81 3.079 7.292 1.632 1.00 0.00 N ATOM 1195 CA ILE A 81 3.531 6.370 2.667 1.00 0.00 C ATOM 1196 C ILE A 81 3.724 4.966 2.105 1.00 0.00 C ATOM 1197 O ILE A 81 3.271 4.659 1.003 1.00 0.00 O ATOM 1198 CB ILE A 81 2.536 6.309 3.841 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.136 5.958 3.333 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.517 7.634 4.588 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.260 5.305 4.379 1.00 0.00 C ATOM 0 H ILE A 81 2.154 7.083 1.255 1.00 0.00 H new ATOM 0 HA ILE A 81 4.486 6.748 3.031 1.00 0.00 H new ATOM 0 HB ILE A 81 2.858 5.529 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.649 6.866 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.226 5.289 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.809 7.575 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.513 7.847 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.215 8.431 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.717 5.084 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.725 4.379 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.139 5.981 5.226 1.00 0.00 H new ATOM 1213 N SER A 82 4.398 4.115 2.873 1.00 0.00 N ATOM 1214 CA SER A 82 4.653 2.743 2.451 1.00 0.00 C ATOM 1215 C SER A 82 4.391 1.766 3.594 1.00 0.00 C ATOM 1216 O SER A 82 5.070 1.799 4.620 1.00 0.00 O ATOM 1217 CB SER A 82 6.095 2.597 1.961 1.00 0.00 C ATOM 1218 OG SER A 82 6.311 3.349 0.780 1.00 0.00 O ATOM 0 H SER A 82 4.777 4.352 3.790 1.00 0.00 H new ATOM 0 HA SER A 82 3.973 2.509 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.782 2.930 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.313 1.546 1.772 1.00 0.00 H new ATOM 0 HG SER A 82 7.240 3.240 0.488 1.00 0.00 H new ATOM 1224 N ILE A 83 3.402 0.898 3.407 1.00 0.00 N ATOM 1225 CA ILE A 83 3.051 -0.088 4.421 1.00 0.00 C ATOM 1226 C ILE A 83 3.692 -1.438 4.119 1.00 0.00 C ATOM 1227 O ILE A 83 3.363 -2.085 3.125 1.00 0.00 O ATOM 1228 CB ILE A 83 1.525 -0.269 4.525 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.833 1.092 4.623 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.175 -1.135 5.726 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.651 1.038 4.336 1.00 0.00 C ATOM 0 H ILE A 83 2.830 0.858 2.563 1.00 0.00 H new ATOM 0 HA ILE A 83 3.430 0.287 5.372 1.00 0.00 H new ATOM 0 HB ILE A 83 1.172 -0.771 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.987 1.497 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.305 1.782 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.093 -1.254 5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.642 -2.114 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.539 -0.659 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.075 2.038 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.813 0.663 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.136 0.374 5.052 1.00 0.00 H new ATOM 1243 N SER A 84 4.608 -1.859 4.986 1.00 0.00 N ATOM 1244 CA SER A 84 5.297 -3.132 4.812 1.00 0.00 C ATOM 1245 C SER A 84 4.484 -4.276 5.410 1.00 0.00 C ATOM 1246 O SER A 84 3.627 -4.062 6.265 1.00 0.00 O ATOM 1247 CB SER A 84 6.681 -3.080 5.462 1.00 0.00 C ATOM 1248 OG SER A 84 7.588 -2.332 4.671 1.00 0.00 O ATOM 0 H SER A 84 4.890 -1.337 5.816 1.00 0.00 H new ATOM 0 HA SER A 84 5.412 -3.312 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.604 -2.633 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.061 -4.093 5.597 1.00 0.00 H new ATOM 0 HG SER A 84 8.465 -2.312 5.109 1.00 0.00 H new ATOM 1254 N ASN A 85 4.762 -5.493 4.952 1.00 0.00 N ATOM 1255 CA ASN A 85 4.057 -6.673 5.441 1.00 0.00 C ATOM 1256 C ASN A 85 2.572 -6.600 5.097 1.00 0.00 C ATOM 1257 O ASN A 85 1.715 -6.781 5.963 1.00 0.00 O ATOM 1258 CB ASN A 85 4.235 -6.809 6.954 1.00 0.00 C ATOM 1259 CG ASN A 85 3.597 -8.071 7.501 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.502 -8.034 8.061 1.00 0.00 O ATOM 1261 ND2 ASN A 85 4.282 -9.198 7.339 1.00 0.00 N ATOM 0 H ASN A 85 5.470 -5.688 4.244 1.00 0.00 H new ATOM 0 HA ASN A 85 4.483 -7.549 4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.298 -6.810 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.798 -5.941 7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.903 -10.079 7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.187 -9.182 6.868 1.00 0.00 H new ATOM 1268 N ILE A 86 2.276 -6.335 3.829 1.00 0.00 N ATOM 1269 CA ILE A 86 0.896 -6.240 3.371 1.00 0.00 C ATOM 1270 C ILE A 86 0.143 -7.543 3.621 1.00 0.00 C ATOM 1271 O ILE A 86 0.695 -8.632 3.462 1.00 0.00 O ATOM 1272 CB ILE A 86 0.822 -5.897 1.872 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.163 -4.422 1.647 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.560 -6.216 1.322 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.177 -3.470 2.286 1.00 0.00 C ATOM 0 H ILE A 86 2.974 -6.182 3.101 1.00 0.00 H new ATOM 0 HA ILE A 86 0.429 -5.437 3.942 1.00 0.00 H new ATOM 0 HB ILE A 86 1.553 -6.506 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.158 -4.223 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.203 -4.226 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.596 -5.968 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.768 -7.278 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.308 -5.631 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.481 -2.443 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.816 -3.642 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.154 -3.638 3.363 1.00 0.00 H new ATOM 1287 N THR A 87 -1.123 -7.423 4.010 1.00 0.00 N ATOM 1288 CA THR A 87 -1.952 -8.591 4.281 1.00 0.00 C ATOM 1289 C THR A 87 -3.197 -8.597 3.400 1.00 0.00 C ATOM 1290 O THR A 87 -3.687 -7.553 2.970 1.00 0.00 O ATOM 1291 CB THR A 87 -2.382 -8.644 5.759 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.065 -7.436 6.114 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.177 -8.837 6.667 1.00 0.00 C ATOM 0 H THR A 87 -1.596 -6.529 4.144 1.00 0.00 H new ATOM 0 HA THR A 87 -1.346 -9.469 4.055 1.00 0.00 H new ATOM 0 HB THR A 87 -3.054 -9.492 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.413 -6.714 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.506 -8.871 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.677 -9.772 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.484 -8.007 6.533 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.722 -9.800 3.125 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.917 -9.971 2.294 1.00 0.00 C ATOM 1303 C PRO A 88 -6.180 -9.469 2.986 1.00 0.00 C ATOM 1304 O PRO A 88 -7.278 -9.564 2.438 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.989 -11.485 2.083 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.276 -12.065 3.255 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.189 -11.087 3.604 1.00 0.00 C ATOM 0 HA PRO A 88 -4.854 -9.401 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.022 -11.830 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.514 -11.777 1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.957 -12.208 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.859 -13.042 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.995 -11.068 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.249 -11.340 3.114 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.017 -8.934 4.191 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.144 -8.415 4.956 1.00 0.00 C ATOM 1317 C ALA A 89 -7.077 -6.896 5.070 1.00 0.00 C ATOM 1318 O ALA A 89 -7.983 -6.264 5.613 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.179 -9.048 6.339 1.00 0.00 C ATOM 0 H ALA A 89 -5.115 -8.849 4.659 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.061 -8.674 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.026 -8.651 6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.282 -10.129 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.254 -8.818 6.868 1.00 0.00 H new ATOM 1325 N ASP A 90 -5.999 -6.315 4.554 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.814 -4.870 4.597 1.00 0.00 C ATOM 1327 C ASP A 90 -6.252 -4.226 3.284 1.00 0.00 C ATOM 1328 O ASP A 90 -6.507 -3.024 3.226 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.351 -4.529 4.883 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.066 -4.398 6.366 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -4.744 -3.586 7.030 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.166 -5.107 6.863 1.00 0.00 O ATOM 0 H ASP A 90 -5.240 -6.824 4.101 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.435 -4.474 5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.711 -5.304 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.094 -3.595 4.383 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.335 -5.036 2.233 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.742 -4.546 0.922 1.00 0.00 C ATOM 1339 C ALA A 91 -8.002 -3.693 1.022 1.00 0.00 C ATOM 1340 O ALA A 91 -8.610 -3.589 2.086 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.965 -5.711 -0.030 1.00 0.00 C ATOM 0 H ALA A 91 -6.126 -6.034 2.264 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.941 -3.919 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.269 -5.331 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.040 -6.278 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.746 -6.360 0.366 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.388 -3.083 -0.095 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.573 -2.245 -0.111 1.00 0.00 C ATOM 1349 C GLY A 92 -9.362 -0.956 -0.880 1.00 0.00 C ATOM 1350 O GLY A 92 -9.175 -0.973 -2.097 1.00 0.00 O ATOM 0 H GLY A 92 -7.901 -3.154 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.400 -2.799 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.862 -2.010 0.913 1.00 0.00 H new ATOM 1354 N THR A 93 -9.393 0.167 -0.169 1.00 0.00 N ATOM 1355 CA THR A 93 -9.207 1.471 -0.792 1.00 0.00 C ATOM 1356 C THR A 93 -8.753 2.508 0.228 1.00 0.00 C ATOM 1357 O THR A 93 -9.478 2.821 1.174 1.00 0.00 O ATOM 1358 CB THR A 93 -10.502 1.962 -1.466 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.014 0.950 -2.340 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.252 3.240 -2.252 1.00 0.00 C ATOM 0 H THR A 93 -9.545 0.199 0.839 1.00 0.00 H new ATOM 0 HA THR A 93 -8.435 1.351 -1.552 1.00 0.00 H new ATOM 0 HB THR A 93 -11.234 2.172 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.285 0.355 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.181 3.568 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.891 4.017 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.505 3.053 -3.023 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.552 3.039 0.032 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.001 4.041 0.937 1.00 0.00 C ATOM 1370 C TYR A 94 -7.283 5.451 0.426 1.00 0.00 C ATOM 1371 O TYR A 94 -6.794 5.850 -0.631 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.494 3.838 1.099 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.122 2.487 1.667 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.402 1.318 0.969 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.493 2.378 2.901 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.065 0.081 1.484 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.152 1.146 3.423 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.440 0.000 2.711 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.103 -1.230 3.228 1.00 0.00 O ATOM 0 H TYR A 94 -6.940 2.792 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.484 3.922 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.013 3.959 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.099 4.618 1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.891 1.378 0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.267 3.273 3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.290 -0.818 0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.662 1.080 4.383 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.887 -1.818 3.212 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.076 6.200 1.185 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.426 7.564 0.810 1.00 0.00 C ATOM 1391 C TYR A 95 -7.628 8.576 1.627 1.00 0.00 C ATOM 1392 O TYR A 95 -7.855 8.740 2.826 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.924 7.801 1.007 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.796 6.817 0.260 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.089 5.570 0.799 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.328 7.134 -0.984 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.884 4.668 0.120 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.125 6.238 -1.669 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.400 5.006 -1.113 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.194 4.111 -1.792 1.00 0.00 O ATOM 0 H TYR A 95 -8.488 5.885 2.063 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.179 7.699 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.156 7.744 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.169 8.812 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.688 5.302 1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.115 8.098 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.101 3.702 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.531 6.501 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.476 4.505 -2.644 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.692 9.252 0.969 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.859 10.248 1.632 1.00 0.00 C ATOM 1412 C CYS A 96 -6.685 11.466 2.036 1.00 0.00 C ATOM 1413 O CYS A 96 -7.057 12.284 1.195 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.713 10.677 0.714 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.220 11.233 1.598 1.00 0.00 S ATOM 0 H CYS A 96 -6.491 9.128 -0.023 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.444 9.797 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.448 9.841 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.061 11.483 0.068 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.968 11.579 3.330 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.749 12.697 3.847 1.00 0.00 C ATOM 1422 C VAL A 97 -6.842 13.823 4.330 1.00 0.00 C ATOM 1423 O VAL A 97 -6.138 13.682 5.330 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.663 12.255 5.005 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.321 13.462 5.656 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.710 11.269 4.511 1.00 0.00 C ATOM 0 H VAL A 97 -6.668 10.910 4.039 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.367 13.059 3.025 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.052 11.755 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.963 13.130 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.552 14.129 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.920 13.993 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.347 10.967 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.319 11.741 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.216 10.391 4.096 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.864 14.942 3.614 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.046 16.095 3.970 1.00 0.00 C ATOM 1438 C LYS A 98 -6.716 16.921 5.063 1.00 0.00 C ATOM 1439 O LYS A 98 -7.509 17.819 4.778 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.794 16.967 2.738 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.231 18.339 3.068 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.927 18.235 3.842 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.708 19.449 4.731 1.00 0.00 C ATOM 1444 NZ LYS A 98 -3.081 20.576 3.985 1.00 0.00 N ATOM 0 H LYS A 98 -7.440 15.075 2.783 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.092 15.729 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.102 16.450 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.730 17.089 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.065 18.896 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.959 18.901 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.936 17.332 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.095 18.139 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.663 19.774 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.073 19.173 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.385 21.052 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.604 20.208 3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.815 21.256 3.702 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.391 16.614 6.314 1.00 0.00 N ATOM 1459 CA PHE A 99 -6.961 17.329 7.450 1.00 0.00 C ATOM 1460 C PHE A 99 -6.403 18.746 7.536 1.00 0.00 C ATOM 1461 O PHE A 99 -5.220 18.975 7.285 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.674 16.575 8.750 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.780 15.646 9.162 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -8.818 16.095 9.963 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -7.783 14.324 8.747 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -9.837 15.242 10.343 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -8.799 13.466 9.123 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.828 13.926 9.922 1.00 0.00 C ATOM 0 H PHE A 99 -5.736 15.875 6.567 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.040 17.391 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.754 16.002 8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.500 17.297 9.548 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.831 17.123 10.294 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.981 13.960 8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.640 15.604 10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.789 12.438 8.793 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.624 13.258 10.217 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.263 19.694 7.894 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.858 21.089 8.012 1.00 0.00 C ATOM 1480 C ARG A 100 -6.802 21.517 9.475 1.00 0.00 C ATOM 1481 O ARG A 100 -7.714 21.233 10.252 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.825 21.990 7.242 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.155 22.199 7.947 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.100 23.049 7.113 1.00 0.00 C ATOM 1485 NE ARG A 100 -9.956 24.473 7.402 1.00 0.00 N ATOM 1486 CZ ARG A 100 -10.704 25.416 6.839 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -11.643 25.088 5.963 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -10.512 26.691 7.154 1.00 0.00 N ATOM 0 H ARG A 100 -8.245 19.521 8.107 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.861 21.189 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.354 22.959 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.009 21.556 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.616 21.232 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.986 22.680 8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.907 22.873 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.128 22.742 7.305 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.243 24.759 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.793 24.109 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.215 25.815 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.790 26.947 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.086 27.415 6.722 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.725 22.201 9.846 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.549 22.670 11.215 1.00 0.00 C ATOM 1504 C LYS A 101 -6.726 23.538 11.649 1.00 0.00 C ATOM 1505 O LYS A 101 -6.904 24.651 11.155 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.245 23.460 11.342 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.676 23.473 12.751 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.581 24.516 12.900 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.212 23.936 12.576 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.110 24.796 13.089 1.00 0.00 N ATOM 0 H LYS A 101 -4.960 22.443 9.216 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.503 21.798 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.505 23.035 10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.419 24.487 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.474 23.677 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.277 22.488 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.786 25.358 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.582 24.903 13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.128 22.940 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.112 23.823 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.806 24.367 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.175 25.739 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.190 24.884 14.122 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.527 23.021 12.576 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.676 23.764 13.061 1.00 0.00 C ATOM 1526 C GLY A 102 -8.910 23.566 14.545 1.00 0.00 C ATOM 1527 O GLY A 102 -8.049 23.040 15.251 1.00 0.00 O ATOM 0 H GLY A 102 -7.401 22.102 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.531 24.825 12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.564 23.453 12.512 1.00 0.00 H new ATOM 1531 N SER A 103 -10.077 23.989 15.021 1.00 0.00 N ATOM 1532 CA SER A 103 -10.419 23.860 16.432 1.00 0.00 C ATOM 1533 C SER A 103 -11.830 23.305 16.601 1.00 0.00 C ATOM 1534 O SER A 103 -12.712 23.519 15.769 1.00 0.00 O ATOM 1535 CB SER A 103 -10.305 25.216 17.132 1.00 0.00 C ATOM 1536 OG SER A 103 -11.456 26.009 16.897 1.00 0.00 O ATOM 0 H SER A 103 -10.801 24.424 14.450 1.00 0.00 H new ATOM 0 HA SER A 103 -9.716 23.163 16.888 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.175 25.066 18.204 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.419 25.740 16.774 1.00 0.00 H new ATOM 0 HG SER A 103 -11.360 26.869 17.356 1.00 0.00 H new ATOM 1542 N PRO A 104 -12.049 22.574 17.704 1.00 0.00 N ATOM 1543 CA PRO A 104 -11.007 22.312 18.701 1.00 0.00 C ATOM 1544 C PRO A 104 -9.925 21.375 18.176 1.00 0.00 C ATOM 1545 O PRO A 104 -8.981 21.038 18.891 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.773 21.654 19.851 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.969 21.042 19.208 1.00 0.00 C ATOM 1548 CD PRO A 104 -13.332 21.946 18.062 1.00 0.00 C ATOM 0 HA PRO A 104 -10.480 23.222 18.988 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.165 20.901 20.353 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -12.060 22.386 20.606 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.750 20.034 18.856 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.793 20.960 19.916 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.753 21.387 17.226 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -14.075 22.688 18.355 1.00 0.00 H new ATOM 1556 N ASP A 105 -10.067 20.957 16.923 1.00 0.00 N ATOM 1557 CA ASP A 105 -9.101 20.059 16.301 1.00 0.00 C ATOM 1558 C ASP A 105 -9.209 20.113 14.780 1.00 0.00 C ATOM 1559 O ASP A 105 -10.129 20.723 14.235 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.317 18.626 16.790 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.053 17.793 16.716 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.033 18.209 17.304 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.083 16.724 16.070 1.00 0.00 O ATOM 0 H ASP A 105 -10.843 21.226 16.318 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.101 20.386 16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.676 18.646 17.819 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.095 18.154 16.191 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.263 19.473 14.102 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.251 19.448 12.644 1.00 0.00 C ATOM 1570 C ASP A 106 -9.623 19.067 12.096 1.00 0.00 C ATOM 1571 O ASP A 106 -10.537 18.742 12.854 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.195 18.464 12.138 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.252 17.131 12.860 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.349 16.536 12.921 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.201 16.683 13.362 1.00 0.00 O ATOM 0 H ASP A 106 -7.494 18.964 14.539 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.003 20.449 12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.336 18.301 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.205 18.901 12.266 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.760 19.110 10.775 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.020 18.770 10.125 1.00 0.00 C ATOM 1582 C VAL A 107 -10.786 18.243 8.714 1.00 0.00 C ATOM 1583 O VAL A 107 -9.835 18.643 8.042 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.963 19.986 10.057 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.222 19.642 9.277 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.308 20.470 11.457 1.00 0.00 C ATOM 0 H VAL A 107 -9.013 19.377 10.133 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.487 17.991 10.728 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.451 20.794 9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.876 20.513 9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.952 19.347 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.741 18.819 9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.975 21.330 11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.802 19.669 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.395 20.759 11.978 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.659 17.344 8.271 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.546 16.762 6.939 1.00 0.00 C ATOM 1598 C GLU A 108 -11.889 17.791 5.865 1.00 0.00 C ATOM 1599 O GLU A 108 -13.060 18.047 5.586 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.468 15.547 6.809 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.599 15.032 5.386 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.369 13.728 5.306 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -12.754 12.663 5.523 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.585 13.773 5.026 1.00 0.00 O ATOM 0 H GLU A 108 -12.452 17.003 8.815 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.514 16.443 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.090 14.745 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.457 15.810 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.100 15.784 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.605 14.889 4.962 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.858 18.378 5.266 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.048 19.381 4.224 1.00 0.00 C ATOM 1613 C PHE A 109 -11.237 18.720 2.862 1.00 0.00 C ATOM 1614 O PHE A 109 -12.251 18.926 2.194 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.853 20.334 4.180 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.925 21.334 3.061 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.767 22.431 3.148 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.151 21.177 1.923 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.836 23.352 2.120 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.215 22.096 0.892 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.058 23.185 0.991 1.00 0.00 C ATOM 0 H PHE A 109 -9.882 18.176 5.484 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.948 19.949 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.788 20.866 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.937 19.752 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.376 22.568 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.490 20.327 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.498 24.202 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.606 21.962 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.109 23.905 0.187 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.254 17.924 2.456 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.309 17.231 1.174 1.00 0.00 C ATOM 1633 C LYS A 110 -10.312 15.719 1.373 1.00 0.00 C ATOM 1634 O LYS A 110 -10.319 15.232 2.503 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.122 17.640 0.298 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.486 17.841 -1.163 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.814 19.295 -1.460 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.221 19.652 -1.007 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.622 21.011 -1.464 1.00 0.00 N ATOM 0 H LYS A 110 -9.408 17.742 2.997 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.235 17.515 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.695 18.564 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.348 16.876 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.658 17.518 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.342 17.215 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.094 19.941 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.717 19.480 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.925 18.916 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.276 19.604 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.653 21.115 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.152 21.728 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.341 21.140 -2.457 1.00 0.00 H new ATOM 1653 N SER A 111 -10.304 14.981 0.267 1.00 0.00 N ATOM 1654 CA SER A 111 -10.307 13.524 0.320 1.00 0.00 C ATOM 1655 C SER A 111 -9.858 12.931 -1.012 1.00 0.00 C ATOM 1656 O SER A 111 -10.519 13.100 -2.035 1.00 0.00 O ATOM 1657 CB SER A 111 -11.703 13.009 0.675 1.00 0.00 C ATOM 1658 OG SER A 111 -11.716 11.595 0.774 1.00 0.00 O ATOM 0 H SER A 111 -10.295 15.369 -0.676 1.00 0.00 H new ATOM 0 HA SER A 111 -9.604 13.212 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.025 13.446 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.416 13.330 -0.084 1.00 0.00 H new ATOM 0 HG SER A 111 -12.619 11.291 1.003 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.726 12.233 -0.990 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.206 11.625 -2.200 1.00 0.00 C ATOM 1666 C GLY A 112 -9.208 10.700 -2.861 1.00 0.00 C ATOM 1667 O GLY A 112 -10.008 10.056 -2.184 1.00 0.00 O ATOM 0 H GLY A 112 -8.160 12.078 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.921 12.408 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.302 11.065 -1.962 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.166 10.636 -4.188 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.078 9.783 -4.941 1.00 0.00 C ATOM 1673 C ALA A 113 -10.245 8.427 -4.264 1.00 0.00 C ATOM 1674 O ALA A 113 -11.354 7.903 -4.167 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.578 9.605 -6.367 1.00 0.00 C ATOM 0 H ALA A 113 -8.510 11.164 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.053 10.269 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.268 8.966 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.516 10.578 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.591 9.144 -6.351 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.135 7.862 -3.797 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.182 6.571 -3.136 1.00 0.00 C ATOM 1683 C GLY A 114 -8.312 5.536 -3.823 1.00 0.00 C ATOM 1684 O GLY A 114 -8.753 4.864 -4.756 1.00 0.00 O ATOM 0 H GLY A 114 -8.205 8.275 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.859 6.684 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.212 6.216 -3.111 1.00 0.00 H new ATOM 1688 N THR A 115 -7.072 5.407 -3.362 1.00 0.00 N ATOM 1689 CA THR A 115 -6.137 4.450 -3.940 1.00 0.00 C ATOM 1690 C THR A 115 -6.523 3.020 -3.580 1.00 0.00 C ATOM 1691 O THR A 115 -6.378 2.599 -2.433 1.00 0.00 O ATOM 1692 CB THR A 115 -4.696 4.716 -3.466 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.303 6.047 -3.817 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.730 3.716 -4.085 1.00 0.00 C ATOM 0 H THR A 115 -6.692 5.954 -2.589 1.00 0.00 H new ATOM 0 HA THR A 115 -6.184 4.575 -5.022 1.00 0.00 H new ATOM 0 HB THR A 115 -4.666 4.603 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.386 6.209 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.718 3.923 -3.736 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.015 2.706 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.764 3.802 -5.171 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.014 2.278 -4.567 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.420 0.894 -4.353 1.00 0.00 C ATOM 1704 C GLU A 116 -6.206 -0.029 -4.304 1.00 0.00 C ATOM 1705 O GLU A 116 -5.323 0.043 -5.160 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.374 0.441 -5.460 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.689 -1.045 -5.423 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.446 -1.512 -6.651 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -10.545 -0.976 -6.909 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -8.942 -2.412 -7.353 1.00 0.00 O ATOM 0 H GLU A 116 -7.140 2.612 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.935 0.839 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.304 1.003 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.937 0.687 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.759 -1.608 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.277 -1.266 -4.532 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.167 -0.894 -3.297 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.061 -1.831 -3.136 1.00 0.00 C ATOM 1719 C LEU A 117 -5.409 -3.192 -3.731 1.00 0.00 C ATOM 1720 O LEU A 117 -6.561 -3.622 -3.691 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.709 -1.985 -1.655 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.427 -2.760 -1.346 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.212 -2.010 -1.869 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.301 -3.007 0.150 1.00 0.00 C ATOM 0 H LEU A 117 -6.888 -0.966 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.198 -1.431 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.623 -0.990 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.540 -2.482 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.477 -3.725 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.309 -2.576 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.298 -1.885 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.157 -1.031 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.383 -3.560 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.273 -2.052 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.157 -3.586 0.496 1.00 0.00 H new ATOM 1736 N SER A 118 -4.403 -3.866 -4.281 1.00 0.00 N ATOM 1737 CA SER A 118 -4.603 -5.177 -4.886 1.00 0.00 C ATOM 1738 C SER A 118 -3.654 -6.206 -4.278 1.00 0.00 C ATOM 1739 O SER A 118 -2.641 -6.565 -4.879 1.00 0.00 O ATOM 1740 CB SER A 118 -4.390 -5.102 -6.399 1.00 0.00 C ATOM 1741 OG SER A 118 -5.607 -4.830 -7.072 1.00 0.00 O ATOM 0 H SER A 118 -3.442 -3.525 -4.320 1.00 0.00 H new ATOM 0 HA SER A 118 -5.628 -5.490 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.662 -4.324 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.975 -6.044 -6.758 1.00 0.00 H new ATOM 0 HG SER A 118 -5.444 -4.785 -8.037 1.00 0.00 H new ATOM 1747 N VAL A 119 -3.990 -6.677 -3.081 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.170 -7.666 -2.391 1.00 0.00 C ATOM 1749 C VAL A 119 -3.175 -8.998 -3.132 1.00 0.00 C ATOM 1750 O VAL A 119 -4.203 -9.670 -3.215 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.659 -7.891 -0.948 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.106 -8.359 -0.941 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.763 -8.892 -0.233 1.00 0.00 C ATOM 0 H VAL A 119 -4.824 -6.390 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.154 -7.273 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.607 -6.943 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.434 -8.513 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.735 -7.604 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.188 -9.296 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.122 -9.040 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.782 -9.843 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.742 -8.512 -0.206 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.019 -9.375 -3.669 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.890 -10.627 -4.403 1.00 0.00 C ATOM 1765 C ARG A 120 -1.580 -11.783 -3.457 1.00 0.00 C ATOM 1766 O ARG A 120 -0.727 -11.668 -2.578 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.791 -10.512 -5.461 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.153 -9.594 -6.618 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.842 -10.356 -7.739 1.00 0.00 C ATOM 1770 NE ARG A 120 -2.782 -9.515 -8.475 1.00 0.00 N ATOM 1771 CZ ARG A 120 -4.037 -9.308 -8.094 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -4.501 -9.878 -6.990 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -4.832 -8.529 -8.817 1.00 0.00 N ATOM 0 H ARG A 120 -1.158 -8.831 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.841 -10.829 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.120 -10.145 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.569 -11.505 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -1.807 -8.798 -6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.251 -9.117 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.092 -10.748 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.371 -11.213 -7.323 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.457 -9.062 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.893 -10.477 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.466 -9.717 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -4.479 -8.088 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.796 -8.371 -8.523 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.281 -12.897 -3.643 1.00 0.00 N ATOM 1788 CA ALA A 121 -2.080 -14.075 -2.808 1.00 0.00 C ATOM 1789 C ALA A 121 -0.662 -14.615 -2.953 1.00 0.00 C ATOM 1790 O ALA A 121 -0.072 -14.561 -4.032 1.00 0.00 O ATOM 1791 CB ALA A 121 -3.096 -15.151 -3.160 1.00 0.00 C ATOM 0 H ALA A 121 -2.993 -13.008 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.224 -13.782 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.934 -16.025 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.103 -14.767 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.980 -15.433 -4.206 1.00 0.00 H new ATOM 1797 N LYS A 122 -0.117 -15.136 -1.858 1.00 0.00 N ATOM 1798 CA LYS A 122 1.233 -15.687 -1.862 1.00 0.00 C ATOM 1799 C LYS A 122 1.547 -16.347 -3.201 1.00 0.00 C ATOM 1800 O LYS A 122 0.693 -16.978 -3.825 1.00 0.00 O ATOM 1801 CB LYS A 122 1.394 -16.705 -0.730 1.00 0.00 C ATOM 1802 CG LYS A 122 1.603 -16.069 0.633 1.00 0.00 C ATOM 1803 CD LYS A 122 1.829 -17.119 1.709 1.00 0.00 C ATOM 1804 CE LYS A 122 1.414 -16.609 3.080 1.00 0.00 C ATOM 1805 NZ LYS A 122 -0.063 -16.658 3.266 1.00 0.00 N ATOM 0 H LYS A 122 -0.590 -15.188 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 122 1.934 -14.867 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.508 -17.339 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.241 -17.353 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.460 -15.396 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 122 0.734 -15.464 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.262 -18.018 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.882 -17.402 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.897 -17.208 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.762 -15.584 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.306 -16.302 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.523 -16.066 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.393 -17.640 3.170 1.00 0.00 H new