USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 645 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 43 LYS NZ :NH3+ 150:sc= 0.173 (180deg=-0.191) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= -0.175 USER MOD Set 1.3: A 78 TYR OH : rot 165:sc= 0.316 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.3) USER MOD Single : A 30 CYS SG : rot 180:sc= -4.32! USER MOD Single : A 33 SER OG : rot -14:sc= 0.217 USER MOD Single : A 40 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.59) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.0998 (180deg=-0.591) USER MOD Single : A 61 THR OG1 : rot -23:sc= 0.155 USER MOD Single : A 62 MET CE :methyl -127:sc= -0.115 (180deg=-0.683) USER MOD Single : A 64 MET CE :methyl 155:sc= 0 (180deg=-0.227) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 35:sc= -4.86 USER MOD Single : A 85 SER OG : rot -160:sc=-0.00657 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -100:sc= 0.269 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.490 20.258 -1.812 1.00 0.00 N ATOM 81 CA ALA A 9 4.738 18.837 -1.603 1.00 0.00 C ATOM 82 C ALA A 9 3.472 18.019 -1.835 1.00 0.00 C ATOM 83 O ALA A 9 3.335 16.910 -1.319 1.00 0.00 O ATOM 84 CB ALA A 9 5.275 18.595 -0.200 1.00 0.00 C ATOM 0 HA ALA A 9 5.486 18.514 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.456 17.529 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.209 19.142 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.546 18.940 0.533 1.00 0.00 H new ATOM 90 N ALA A 10 2.550 18.573 -2.615 1.00 0.00 N ATOM 91 CA ALA A 10 1.296 17.893 -2.917 1.00 0.00 C ATOM 92 C ALA A 10 1.545 16.586 -3.662 1.00 0.00 C ATOM 93 O ALA A 10 2.691 16.225 -3.933 1.00 0.00 O ATOM 94 CB ALA A 10 0.386 18.802 -3.730 1.00 0.00 C ATOM 0 H ALA A 10 2.648 19.491 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 10 0.804 17.654 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.547 18.282 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.172 19.706 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.880 19.070 -4.664 1.00 0.00 H new ATOM 100 N ILE A 11 0.467 15.882 -3.989 1.00 0.00 N ATOM 101 CA ILE A 11 0.570 14.616 -4.703 1.00 0.00 C ATOM 102 C ILE A 11 0.102 14.760 -6.147 1.00 0.00 C ATOM 103 O ILE A 11 -1.077 14.999 -6.407 1.00 0.00 O ATOM 104 CB ILE A 11 -0.256 13.513 -4.015 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.090 13.440 -2.526 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.011 12.170 -4.688 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.888 12.615 -1.719 1.00 0.00 C ATOM 0 H ILE A 11 -0.488 16.167 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 11 1.622 14.331 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.314 13.758 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.089 13.018 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.123 14.451 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.602 11.401 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.302 12.230 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.047 11.916 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.581 12.607 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.885 13.049 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.904 11.594 -2.100 1.00 0.00 H new ATOM 119 N ILE A 12 1.034 14.610 -7.083 1.00 0.00 N ATOM 120 CA ILE A 12 0.716 14.720 -8.501 1.00 0.00 C ATOM 121 C ILE A 12 0.262 13.379 -9.068 1.00 0.00 C ATOM 122 O ILE A 12 -0.624 13.321 -9.921 1.00 0.00 O ATOM 123 CB ILE A 12 1.925 15.225 -9.311 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.228 14.708 -8.699 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.926 16.745 -9.369 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.772 15.593 -7.599 1.00 0.00 C ATOM 0 H ILE A 12 2.015 14.412 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.096 15.442 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 12 1.847 14.843 -10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.061 13.708 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.978 14.616 -9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.786 17.087 -9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.009 17.092 -9.846 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.983 17.148 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.697 15.165 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.972 16.588 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.040 15.665 -6.794 1.00 0.00 H new ATOM 138 N LYS A 13 0.875 12.302 -8.589 1.00 0.00 N ATOM 139 CA LYS A 13 0.534 10.960 -9.045 1.00 0.00 C ATOM 140 C LYS A 13 -0.213 10.190 -7.960 1.00 0.00 C ATOM 141 O LYS A 13 0.386 9.607 -7.056 1.00 0.00 O ATOM 142 CB LYS A 13 1.798 10.198 -9.447 1.00 0.00 C ATOM 143 CG LYS A 13 2.609 10.892 -10.528 1.00 0.00 C ATOM 144 CD LYS A 13 3.695 9.985 -11.080 1.00 0.00 C ATOM 145 CE LYS A 13 4.167 10.449 -12.450 1.00 0.00 C ATOM 146 NZ LYS A 13 5.375 9.705 -12.902 1.00 0.00 N ATOM 0 H LYS A 13 1.612 12.333 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.117 11.054 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.425 10.061 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.517 9.204 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.948 11.203 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.061 11.796 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.539 9.965 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.317 8.965 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.365 10.314 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.389 11.516 -12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.665 10.050 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.149 9.854 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.156 8.690 -12.960 1.00 0.00 H new ATOM 160 N PRO A 14 -1.551 10.186 -8.050 1.00 0.00 N ATOM 161 CA PRO A 14 -2.407 9.489 -7.086 1.00 0.00 C ATOM 162 C PRO A 14 -2.296 7.973 -7.201 1.00 0.00 C ATOM 163 O PRO A 14 -1.951 7.444 -8.258 1.00 0.00 O ATOM 164 CB PRO A 14 -3.816 9.953 -7.463 1.00 0.00 C ATOM 165 CG PRO A 14 -3.721 10.321 -8.903 1.00 0.00 C ATOM 166 CD PRO A 14 -2.331 10.859 -9.102 1.00 0.00 C ATOM 0 HA PRO A 14 -2.130 9.716 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.549 9.162 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.128 10.803 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.899 9.454 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.470 11.068 -9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.949 10.627 -10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.300 11.943 -8.994 1.00 0.00 H new ATOM 174 N LEU A 15 -2.592 7.278 -6.108 1.00 0.00 N ATOM 175 CA LEU A 15 -2.526 5.821 -6.087 1.00 0.00 C ATOM 176 C LEU A 15 -3.490 5.217 -7.104 1.00 0.00 C ATOM 177 O LEU A 15 -4.349 5.911 -7.646 1.00 0.00 O ATOM 178 CB LEU A 15 -2.850 5.296 -4.687 1.00 0.00 C ATOM 179 CG LEU A 15 -1.987 5.843 -3.549 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.678 5.640 -2.210 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.618 5.177 -3.551 1.00 0.00 C ATOM 0 H LEU A 15 -2.880 7.700 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.512 5.524 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.893 5.524 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.757 4.210 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.849 6.913 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.049 6.035 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.634 6.163 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.847 4.576 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.017 5.578 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.736 4.101 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.119 5.374 -4.500 1.00 0.00 H new ATOM 193 N GLU A 16 -3.341 3.920 -7.355 1.00 0.00 N ATOM 194 CA GLU A 16 -4.199 3.224 -8.306 1.00 0.00 C ATOM 195 C GLU A 16 -4.689 1.899 -7.728 1.00 0.00 C ATOM 196 O GLU A 16 -4.047 1.316 -6.855 1.00 0.00 O ATOM 197 CB GLU A 16 -3.449 2.975 -9.617 1.00 0.00 C ATOM 198 CG GLU A 16 -3.532 4.135 -10.595 1.00 0.00 C ATOM 199 CD GLU A 16 -4.779 4.084 -11.456 1.00 0.00 C ATOM 200 OE1 GLU A 16 -5.827 3.625 -10.957 1.00 0.00 O ATOM 201 OE2 GLU A 16 -4.706 4.504 -12.630 1.00 0.00 O ATOM 0 H GLU A 16 -2.635 3.331 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.064 3.856 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.401 2.773 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.852 2.081 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.515 5.074 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.651 4.128 -11.237 1.00 0.00 H new ATOM 208 N ASP A 17 -5.830 1.431 -8.222 1.00 0.00 N ATOM 209 CA ASP A 17 -6.407 0.176 -7.756 1.00 0.00 C ATOM 210 C ASP A 17 -5.466 -0.992 -8.036 1.00 0.00 C ATOM 211 O ASP A 17 -4.838 -1.055 -9.092 1.00 0.00 O ATOM 212 CB ASP A 17 -7.758 -0.070 -8.428 1.00 0.00 C ATOM 213 CG ASP A 17 -8.701 1.108 -8.280 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.362 2.050 -7.533 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.778 1.088 -8.912 1.00 0.00 O ATOM 0 H ASP A 17 -6.374 1.902 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.554 0.251 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.602 -0.276 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.219 -0.958 -7.995 1.00 0.00 H new ATOM 220 N GLN A 18 -5.373 -1.913 -7.082 1.00 0.00 N ATOM 221 CA GLN A 18 -4.507 -3.077 -7.226 1.00 0.00 C ATOM 222 C GLN A 18 -5.318 -4.368 -7.182 1.00 0.00 C ATOM 223 O GLN A 18 -6.270 -4.487 -6.411 1.00 0.00 O ATOM 224 CB GLN A 18 -3.446 -3.089 -6.124 1.00 0.00 C ATOM 225 CG GLN A 18 -2.638 -1.804 -6.043 1.00 0.00 C ATOM 226 CD GLN A 18 -1.821 -1.548 -7.293 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.729 -2.403 -8.175 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.220 -0.367 -7.377 1.00 0.00 N ATOM 0 H GLN A 18 -5.887 -1.876 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.013 -3.013 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.933 -3.263 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.767 -3.925 -6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.313 -0.965 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.972 -1.852 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.323 0.312 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.656 -0.139 -8.195 1.00 0.00 H new ATOM 237 N TRP A 19 -4.935 -5.330 -8.013 1.00 0.00 N ATOM 238 CA TRP A 19 -5.627 -6.612 -8.069 1.00 0.00 C ATOM 239 C TRP A 19 -4.669 -7.761 -7.777 1.00 0.00 C ATOM 240 O TRP A 19 -3.871 -8.149 -8.630 1.00 0.00 O ATOM 241 CB TRP A 19 -6.273 -6.807 -9.442 1.00 0.00 C ATOM 242 CG TRP A 19 -7.559 -6.054 -9.606 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.801 -6.457 -9.204 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.729 -4.770 -10.216 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.733 -5.500 -9.529 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.100 -4.456 -10.149 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.856 -3.855 -10.810 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.616 -3.266 -10.656 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.370 -2.675 -11.313 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.739 -2.388 -11.232 1.00 0.00 C ATOM 0 H TRP A 19 -4.149 -5.247 -8.657 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.405 -6.610 -7.306 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.573 -6.488 -10.214 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.460 -7.869 -9.600 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.019 -7.390 -8.705 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.733 -5.558 -9.339 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.799 -4.066 -10.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.671 -3.044 -10.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.705 -1.962 -11.777 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.109 -1.456 -11.632 1.00 0.00 H new ATOM 261 N VAL A 20 -4.753 -8.303 -6.566 1.00 0.00 N ATOM 262 CA VAL A 20 -3.894 -9.409 -6.162 1.00 0.00 C ATOM 263 C VAL A 20 -4.709 -10.542 -5.548 1.00 0.00 C ATOM 264 O VAL A 20 -5.935 -10.470 -5.475 1.00 0.00 O ATOM 265 CB VAL A 20 -2.828 -8.951 -5.149 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.998 -7.813 -5.725 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.481 -8.536 -3.839 1.00 0.00 C ATOM 0 H VAL A 20 -5.408 -7.994 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.397 -9.769 -7.063 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.161 -9.789 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.250 -7.503 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.500 -8.150 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.649 -6.970 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.713 -8.215 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.172 -7.713 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.026 -9.382 -3.420 1.00 0.00 H new ATOM 277 N ALA A 21 -4.018 -11.588 -5.106 1.00 0.00 N ATOM 278 CA ALA A 21 -4.678 -12.736 -4.496 1.00 0.00 C ATOM 279 C ALA A 21 -4.462 -12.754 -2.986 1.00 0.00 C ATOM 280 O ALA A 21 -3.593 -12.066 -2.451 1.00 0.00 O ATOM 281 CB ALA A 21 -4.171 -14.029 -5.118 1.00 0.00 C ATOM 0 H ALA A 21 -3.002 -11.664 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.748 -12.651 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.672 -14.878 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.381 -14.025 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.096 -14.112 -4.960 1.00 0.00 H new ATOM 287 N PRO A 22 -5.272 -13.559 -2.281 1.00 0.00 N ATOM 288 CA PRO A 22 -5.188 -13.685 -0.823 1.00 0.00 C ATOM 289 C PRO A 22 -3.921 -14.405 -0.375 1.00 0.00 C ATOM 290 O PRO A 22 -3.893 -15.631 -0.279 1.00 0.00 O ATOM 291 CB PRO A 22 -6.427 -14.511 -0.468 1.00 0.00 C ATOM 292 CG PRO A 22 -6.732 -15.287 -1.702 1.00 0.00 C ATOM 293 CD PRO A 22 -6.330 -14.407 -2.854 1.00 0.00 C ATOM 0 HA PRO A 22 -5.151 -12.713 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.233 -15.172 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.263 -13.870 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.181 -16.227 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.792 -15.538 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.964 -14.992 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.168 -13.813 -3.218 1.00 0.00 H new ATOM 301 N GLY A 23 -2.873 -13.634 -0.102 1.00 0.00 N ATOM 302 CA GLY A 23 -1.617 -14.216 0.333 1.00 0.00 C ATOM 303 C GLY A 23 -0.418 -13.573 -0.334 1.00 0.00 C ATOM 304 O GLY A 23 0.724 -13.837 0.040 1.00 0.00 O ATOM 0 H GLY A 23 -2.871 -12.617 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.527 -14.111 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.620 -15.284 0.115 1.00 0.00 H new ATOM 308 N GLU A 24 -0.677 -12.727 -1.327 1.00 0.00 N ATOM 309 CA GLU A 24 0.391 -12.047 -2.049 1.00 0.00 C ATOM 310 C GLU A 24 0.705 -10.697 -1.411 1.00 0.00 C ATOM 311 O GLU A 24 -0.008 -10.240 -0.518 1.00 0.00 O ATOM 312 CB GLU A 24 0.002 -11.853 -3.516 1.00 0.00 C ATOM 313 CG GLU A 24 -0.378 -13.144 -4.221 1.00 0.00 C ATOM 314 CD GLU A 24 0.831 -13.949 -4.655 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.912 -13.767 -4.057 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.696 -14.762 -5.594 1.00 0.00 O ATOM 0 H GLU A 24 -1.617 -12.497 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 24 1.284 -12.670 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.836 -11.158 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.835 -11.391 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.993 -13.750 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.987 -12.911 -5.094 1.00 0.00 H new ATOM 323 N ASP A 25 1.777 -10.064 -1.877 1.00 0.00 N ATOM 324 CA ASP A 25 2.186 -8.766 -1.353 1.00 0.00 C ATOM 325 C ASP A 25 1.735 -7.641 -2.279 1.00 0.00 C ATOM 326 O ASP A 25 1.637 -7.822 -3.493 1.00 0.00 O ATOM 327 CB ASP A 25 3.704 -8.720 -1.175 1.00 0.00 C ATOM 328 CG ASP A 25 4.447 -9.170 -2.418 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.721 -8.317 -3.288 1.00 0.00 O ATOM 330 OD2 ASP A 25 4.755 -10.376 -2.520 1.00 0.00 O ATOM 0 H ASP A 25 2.378 -10.429 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 25 1.710 -8.626 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.007 -7.704 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.988 -9.355 -0.336 1.00 0.00 H new ATOM 335 N VAL A 26 1.462 -6.477 -1.698 1.00 0.00 N ATOM 336 CA VAL A 26 1.021 -5.321 -2.470 1.00 0.00 C ATOM 337 C VAL A 26 1.919 -4.116 -2.215 1.00 0.00 C ATOM 338 O VAL A 26 2.322 -3.858 -1.082 1.00 0.00 O ATOM 339 CB VAL A 26 -0.434 -4.944 -2.135 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.810 -3.627 -2.797 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.383 -6.053 -2.560 1.00 0.00 C ATOM 0 H VAL A 26 1.539 -6.309 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 26 1.082 -5.600 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.519 -4.818 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.842 -3.377 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.149 -2.838 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.709 -3.721 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.407 -5.769 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.298 -6.213 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.126 -6.973 -2.035 1.00 0.00 H new ATOM 351 N GLU A 27 2.228 -3.380 -3.279 1.00 0.00 N ATOM 352 CA GLU A 27 3.079 -2.201 -3.169 1.00 0.00 C ATOM 353 C GLU A 27 2.414 -0.988 -3.813 1.00 0.00 C ATOM 354 O GLU A 27 2.342 -0.883 -5.039 1.00 0.00 O ATOM 355 CB GLU A 27 4.436 -2.461 -3.827 1.00 0.00 C ATOM 356 CG GLU A 27 5.208 -3.609 -3.197 1.00 0.00 C ATOM 357 CD GLU A 27 6.470 -3.953 -3.964 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.031 -3.052 -4.621 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.896 -5.126 -3.907 1.00 0.00 O ATOM 0 H GLU A 27 1.902 -3.579 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 27 3.230 -1.992 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.282 -2.675 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.038 -1.554 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.470 -3.346 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.567 -4.489 -3.146 1.00 0.00 H new ATOM 366 N LEU A 28 1.929 -0.075 -2.980 1.00 0.00 N ATOM 367 CA LEU A 28 1.268 1.131 -3.466 1.00 0.00 C ATOM 368 C LEU A 28 2.232 2.314 -3.476 1.00 0.00 C ATOM 369 O LEU A 28 2.500 2.917 -2.437 1.00 0.00 O ATOM 370 CB LEU A 28 0.053 1.457 -2.596 1.00 0.00 C ATOM 371 CG LEU A 28 -0.844 0.275 -2.226 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.592 0.557 -0.933 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.820 -0.028 -3.354 1.00 0.00 C ATOM 0 H LEU A 28 1.981 -0.147 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 28 0.937 0.947 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.405 1.922 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.553 2.198 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.213 -0.601 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.225 -0.295 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.877 0.723 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.211 1.445 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.450 -0.872 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.445 0.846 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.265 -0.275 -4.259 1.00 0.00 H new ATOM 385 N ARG A 29 2.748 2.640 -4.656 1.00 0.00 N ATOM 386 CA ARG A 29 3.681 3.751 -4.802 1.00 0.00 C ATOM 387 C ARG A 29 2.948 5.028 -5.202 1.00 0.00 C ATOM 388 O ARG A 29 1.806 4.982 -5.662 1.00 0.00 O ATOM 389 CB ARG A 29 4.749 3.415 -5.844 1.00 0.00 C ATOM 390 CG ARG A 29 5.711 2.324 -5.402 1.00 0.00 C ATOM 391 CD ARG A 29 6.833 2.128 -6.409 1.00 0.00 C ATOM 392 NE ARG A 29 6.371 1.448 -7.616 1.00 0.00 N ATOM 393 CZ ARG A 29 7.064 1.411 -8.749 1.00 0.00 C ATOM 394 NH1 ARG A 29 8.243 2.012 -8.830 1.00 0.00 N ATOM 395 NH2 ARG A 29 6.577 0.771 -9.805 1.00 0.00 N ATOM 0 H ARG A 29 2.536 2.151 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 29 4.163 3.916 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.259 3.103 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.317 4.317 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.133 2.582 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.167 1.388 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.253 3.097 -6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.635 1.549 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 29 5.467 0.976 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.621 2.505 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.772 1.981 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.670 0.307 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.109 0.743 -10.675 1.00 0.00 H new ATOM 409 N CYS A 30 3.611 6.165 -5.024 1.00 0.00 N ATOM 410 CA CYS A 30 3.022 7.455 -5.365 1.00 0.00 C ATOM 411 C CYS A 30 4.105 8.474 -5.706 1.00 0.00 C ATOM 412 O CYS A 30 5.295 8.166 -5.660 1.00 0.00 O ATOM 413 CB CYS A 30 2.166 7.970 -4.207 1.00 0.00 C ATOM 414 SG CYS A 30 3.092 8.896 -2.959 1.00 0.00 S ATOM 0 H CYS A 30 4.557 6.220 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 30 2.389 7.318 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.378 8.608 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.676 7.123 -3.726 1.00 0.00 H new ATOM 0 HG CYS A 30 2.282 9.291 -2.022 1.00 0.00 H new ATOM 420 N GLU A 31 3.682 9.686 -6.049 1.00 0.00 N ATOM 421 CA GLU A 31 4.616 10.749 -6.401 1.00 0.00 C ATOM 422 C GLU A 31 4.245 12.053 -5.701 1.00 0.00 C ATOM 423 O GLU A 31 3.067 12.387 -5.570 1.00 0.00 O ATOM 424 CB GLU A 31 4.638 10.959 -7.916 1.00 0.00 C ATOM 425 CG GLU A 31 5.923 11.590 -8.425 1.00 0.00 C ATOM 426 CD GLU A 31 7.026 10.572 -8.641 1.00 0.00 C ATOM 427 OE1 GLU A 31 7.040 9.930 -9.712 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.876 10.417 -7.739 1.00 0.00 O ATOM 0 H GLU A 31 2.699 9.956 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 31 5.610 10.448 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.495 9.998 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.796 11.591 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.723 12.108 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.262 12.342 -7.712 1.00 0.00 H new ATOM 435 N LEU A 32 5.258 12.786 -5.252 1.00 0.00 N ATOM 436 CA LEU A 32 5.040 14.054 -4.564 1.00 0.00 C ATOM 437 C LEU A 32 5.864 15.168 -5.201 1.00 0.00 C ATOM 438 O LEU A 32 7.003 14.951 -5.617 1.00 0.00 O ATOM 439 CB LEU A 32 5.399 13.922 -3.083 1.00 0.00 C ATOM 440 CG LEU A 32 5.050 12.586 -2.425 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.018 12.281 -1.293 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.617 12.602 -1.914 1.00 0.00 C ATOM 0 H LEU A 32 6.239 12.524 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 32 3.985 14.311 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.470 14.090 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.894 14.717 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 32 5.139 11.799 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.755 11.327 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.033 12.227 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.961 13.070 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.386 11.644 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.502 13.399 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.936 12.775 -2.747 1.00 0.00 H new ATOM 454 N SER A 33 5.283 16.361 -5.273 1.00 0.00 N ATOM 455 CA SER A 33 5.963 17.509 -5.861 1.00 0.00 C ATOM 456 C SER A 33 7.249 17.825 -5.103 1.00 0.00 C ATOM 457 O SER A 33 8.093 18.584 -5.580 1.00 0.00 O ATOM 458 CB SER A 33 5.042 18.731 -5.858 1.00 0.00 C ATOM 459 OG SER A 33 5.731 19.890 -6.294 1.00 0.00 O ATOM 0 H SER A 33 4.342 16.558 -4.931 1.00 0.00 H new ATOM 0 HA SER A 33 6.220 17.260 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.186 18.547 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.651 18.893 -4.854 1.00 0.00 H new ATOM 0 HG SER A 33 6.696 19.717 -6.291 1.00 0.00 H new ATOM 465 N ARG A 34 7.390 17.238 -3.919 1.00 0.00 N ATOM 466 CA ARG A 34 8.571 17.458 -3.093 1.00 0.00 C ATOM 467 C ARG A 34 8.742 16.331 -2.079 1.00 0.00 C ATOM 468 O ARG A 34 7.763 15.760 -1.599 1.00 0.00 O ATOM 469 CB ARG A 34 8.470 18.801 -2.367 1.00 0.00 C ATOM 470 CG ARG A 34 9.651 19.090 -1.455 1.00 0.00 C ATOM 471 CD ARG A 34 9.275 20.067 -0.351 1.00 0.00 C ATOM 472 NE ARG A 34 9.162 21.436 -0.847 1.00 0.00 N ATOM 473 CZ ARG A 34 8.893 22.479 -0.070 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.710 22.310 1.232 1.00 0.00 N ATOM 475 NH2 ARG A 34 8.806 23.694 -0.596 1.00 0.00 N ATOM 0 H ARG A 34 6.701 16.607 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 34 9.443 17.472 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.388 19.599 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.554 18.818 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.008 18.159 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.473 19.500 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.328 19.763 0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.025 20.028 0.439 1.00 0.00 H new ATOM 0 HE ARG A 34 9.297 21.600 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.776 21.377 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.504 23.113 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.946 23.827 -1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.599 24.495 0.001 1.00 0.00 H new ATOM 489 N ALA A 35 9.993 16.016 -1.757 1.00 0.00 N ATOM 490 CA ALA A 35 10.292 14.959 -0.799 1.00 0.00 C ATOM 491 C ALA A 35 10.179 15.468 0.633 1.00 0.00 C ATOM 492 O ALA A 35 9.808 16.618 0.866 1.00 0.00 O ATOM 493 CB ALA A 35 11.683 14.396 -1.053 1.00 0.00 C ATOM 0 H ALA A 35 10.815 16.478 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 35 9.559 14.163 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.894 13.607 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.731 13.986 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.422 15.191 -0.949 1.00 0.00 H new ATOM 534 N VAL A 39 3.705 10.936 4.216 1.00 0.00 N ATOM 535 CA VAL A 39 2.359 10.601 3.765 1.00 0.00 C ATOM 536 C VAL A 39 1.555 9.941 4.879 1.00 0.00 C ATOM 537 O VAL A 39 2.106 9.231 5.721 1.00 0.00 O ATOM 538 CB VAL A 39 2.393 9.660 2.546 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.758 8.247 2.972 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.056 9.679 1.821 1.00 0.00 C ATOM 0 HA VAL A 39 1.879 11.537 3.479 1.00 0.00 H new ATOM 0 HB VAL A 39 3.159 10.015 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.777 7.597 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.741 8.251 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.018 7.878 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.098 9.009 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.269 9.350 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.841 10.692 1.480 1.00 0.00 H new ATOM 550 N HIS A 40 0.247 10.180 4.879 1.00 0.00 N ATOM 551 CA HIS A 40 -0.635 9.608 5.890 1.00 0.00 C ATOM 552 C HIS A 40 -1.471 8.474 5.303 1.00 0.00 C ATOM 553 O HIS A 40 -2.470 8.714 4.625 1.00 0.00 O ATOM 554 CB HIS A 40 -1.552 10.687 6.467 1.00 0.00 C ATOM 555 CG HIS A 40 -1.925 10.453 7.898 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.985 11.086 8.513 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.373 9.650 8.837 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.067 10.683 9.768 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.101 9.810 9.990 1.00 0.00 N ATOM 0 H HIS A 40 -0.225 10.766 4.190 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.015 9.203 6.690 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.058 11.655 6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.461 10.739 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.518 9.003 8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.800 11.012 10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.925 9.333 10.874 1.00 0.00 H new ATOM 568 N TRP A 41 -1.054 7.241 5.567 1.00 0.00 N ATOM 569 CA TRP A 41 -1.764 6.070 5.064 1.00 0.00 C ATOM 570 C TRP A 41 -2.967 5.745 5.943 1.00 0.00 C ATOM 571 O TRP A 41 -2.815 5.322 7.089 1.00 0.00 O ATOM 572 CB TRP A 41 -0.823 4.866 5.000 1.00 0.00 C ATOM 573 CG TRP A 41 0.254 5.010 3.968 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.525 5.467 4.168 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.154 4.695 2.575 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.221 5.456 2.984 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.403 4.986 1.991 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.868 4.194 1.764 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.653 4.792 0.635 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.618 4.003 0.419 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.635 4.301 -0.135 1.00 0.00 C ATOM 0 H TRP A 41 -0.228 7.026 6.126 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.122 6.296 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.363 4.721 5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.405 3.970 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.925 5.790 5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.190 5.750 2.864 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.836 3.960 2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.617 5.021 0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.401 3.617 -0.217 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.799 4.140 -1.190 1.00 0.00 H new ATOM 592 N LEU A 42 -4.163 5.943 5.398 1.00 0.00 N ATOM 593 CA LEU A 42 -5.393 5.669 6.133 1.00 0.00 C ATOM 594 C LEU A 42 -6.155 4.507 5.506 1.00 0.00 C ATOM 595 O LEU A 42 -6.428 4.505 4.305 1.00 0.00 O ATOM 596 CB LEU A 42 -6.279 6.916 6.166 1.00 0.00 C ATOM 597 CG LEU A 42 -5.646 8.174 6.762 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.219 9.421 6.108 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.856 8.215 8.268 1.00 0.00 C ATOM 0 H LEU A 42 -4.307 6.292 4.450 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.124 5.394 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.594 7.140 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.179 6.682 6.734 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.574 8.146 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.757 10.306 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.016 9.396 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.296 9.456 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.399 9.117 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.924 8.219 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.396 7.338 8.724 1.00 0.00 H new ATOM 611 N LYS A 43 -6.498 3.519 6.326 1.00 0.00 N ATOM 612 CA LYS A 43 -7.232 2.351 5.854 1.00 0.00 C ATOM 613 C LYS A 43 -8.678 2.385 6.338 1.00 0.00 C ATOM 614 O LYS A 43 -8.962 2.079 7.496 1.00 0.00 O ATOM 615 CB LYS A 43 -6.552 1.067 6.334 1.00 0.00 C ATOM 616 CG LYS A 43 -7.211 -0.200 5.819 1.00 0.00 C ATOM 617 CD LYS A 43 -6.640 -0.618 4.474 1.00 0.00 C ATOM 618 CE LYS A 43 -6.774 -2.118 4.255 1.00 0.00 C ATOM 619 NZ LYS A 43 -5.776 -2.886 5.050 1.00 0.00 N ATOM 0 H LYS A 43 -6.279 3.504 7.322 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.232 2.369 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.509 1.078 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.554 1.050 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.070 -1.004 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.285 -0.040 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.157 -0.085 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.589 -0.333 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.780 -2.437 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.646 -2.343 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.169 -3.817 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.909 -3.013 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.552 -2.365 5.922 1.00 0.00 H new ATOM 633 N ASP A 44 -9.587 2.757 5.445 1.00 0.00 N ATOM 634 CA ASP A 44 -11.005 2.828 5.781 1.00 0.00 C ATOM 635 C ASP A 44 -11.234 3.743 6.979 1.00 0.00 C ATOM 636 O ASP A 44 -11.939 3.383 7.922 1.00 0.00 O ATOM 637 CB ASP A 44 -11.551 1.431 6.078 1.00 0.00 C ATOM 638 CG ASP A 44 -11.996 0.704 4.824 1.00 0.00 C ATOM 639 OD1 ASP A 44 -11.132 0.408 3.972 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.208 0.433 4.693 1.00 0.00 O ATOM 0 H ASP A 44 -9.368 3.014 4.483 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.536 3.242 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.783 0.844 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.393 1.512 6.766 1.00 0.00 H new ATOM 645 N ARG A 45 -10.633 4.928 6.937 1.00 0.00 N ATOM 646 CA ARG A 45 -10.770 5.894 8.020 1.00 0.00 C ATOM 647 C ARG A 45 -10.098 5.383 9.292 1.00 0.00 C ATOM 648 O ARG A 45 -10.641 5.514 10.389 1.00 0.00 O ATOM 649 CB ARG A 45 -12.248 6.182 8.292 1.00 0.00 C ATOM 650 CG ARG A 45 -13.041 6.524 7.042 1.00 0.00 C ATOM 651 CD ARG A 45 -13.007 8.017 6.752 1.00 0.00 C ATOM 652 NE ARG A 45 -11.789 8.411 6.050 1.00 0.00 N ATOM 653 CZ ARG A 45 -11.623 9.596 5.475 1.00 0.00 C ATOM 654 NH1 ARG A 45 -12.592 10.500 5.518 1.00 0.00 N ATOM 655 NH2 ARG A 45 -10.485 9.881 4.855 1.00 0.00 N ATOM 0 H ARG A 45 -10.046 5.242 6.164 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.277 6.817 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.697 5.312 8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.325 7.009 8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.634 5.978 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.074 6.200 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.875 8.289 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.080 8.570 7.689 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.024 7.739 5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.468 10.286 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.461 11.409 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.736 9.189 4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.359 10.792 4.414 1.00 0.00 H new ATOM 669 N LYS A 46 -8.915 4.799 9.136 1.00 0.00 N ATOM 670 CA LYS A 46 -8.168 4.268 10.270 1.00 0.00 C ATOM 671 C LYS A 46 -6.667 4.457 10.070 1.00 0.00 C ATOM 672 O LYS A 46 -6.049 3.770 9.257 1.00 0.00 O ATOM 673 CB LYS A 46 -8.484 2.784 10.466 1.00 0.00 C ATOM 674 CG LYS A 46 -9.954 2.504 10.723 1.00 0.00 C ATOM 675 CD LYS A 46 -10.273 1.025 10.585 1.00 0.00 C ATOM 676 CE LYS A 46 -9.725 0.225 11.758 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.396 -1.174 11.370 1.00 0.00 N ATOM 0 H LYS A 46 -8.453 4.681 8.235 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.470 4.818 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.167 2.234 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.899 2.404 11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.220 2.842 11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.562 3.075 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.353 0.889 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.850 0.646 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.831 0.714 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.458 0.215 12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.026 -1.686 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.254 -1.649 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.678 -1.166 10.618 1.00 0.00 H new ATOM 691 N ALA A 47 -6.088 5.392 10.816 1.00 0.00 N ATOM 692 CA ALA A 47 -4.660 5.668 10.722 1.00 0.00 C ATOM 693 C ALA A 47 -3.845 4.382 10.811 1.00 0.00 C ATOM 694 O ALA A 47 -4.018 3.590 11.737 1.00 0.00 O ATOM 695 CB ALA A 47 -4.238 6.639 11.814 1.00 0.00 C ATOM 0 H ALA A 47 -6.586 5.971 11.492 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.466 6.123 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.169 6.836 11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.789 7.573 11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.453 6.204 12.790 1.00 0.00 H new ATOM 701 N ILE A 48 -2.958 4.181 9.843 1.00 0.00 N ATOM 702 CA ILE A 48 -2.117 2.992 9.813 1.00 0.00 C ATOM 703 C ILE A 48 -0.791 3.238 10.523 1.00 0.00 C ATOM 704 O ILE A 48 -0.253 4.345 10.491 1.00 0.00 O ATOM 705 CB ILE A 48 -1.836 2.537 8.368 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.143 2.425 7.582 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.094 1.209 8.366 1.00 0.00 C ATOM 708 CD1 ILE A 48 -2.943 2.084 6.122 1.00 0.00 C ATOM 0 H ILE A 48 -2.803 4.827 9.069 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.664 2.206 10.333 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.206 3.283 7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.770 1.662 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.684 3.369 7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.903 0.901 7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.147 1.321 8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.700 0.453 8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.912 2.021 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.342 2.859 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.430 1.126 6.039 1.00 0.00 H new ATOM 720 N ARG A 49 -0.267 2.198 11.164 1.00 0.00 N ATOM 721 CA ARG A 49 0.998 2.301 11.883 1.00 0.00 C ATOM 722 C ARG A 49 2.054 1.394 11.258 1.00 0.00 C ATOM 723 O ARG A 49 1.878 0.177 11.185 1.00 0.00 O ATOM 724 CB ARG A 49 0.803 1.936 13.355 1.00 0.00 C ATOM 725 CG ARG A 49 -0.128 2.880 14.099 1.00 0.00 C ATOM 726 CD ARG A 49 -0.125 2.604 15.594 1.00 0.00 C ATOM 727 NE ARG A 49 0.911 3.364 16.289 1.00 0.00 N ATOM 728 CZ ARG A 49 1.040 3.392 17.611 1.00 0.00 C ATOM 729 NH1 ARG A 49 0.203 2.706 18.376 1.00 0.00 N ATOM 730 NH2 ARG A 49 2.008 4.107 18.169 1.00 0.00 N ATOM 0 H ARG A 49 -0.699 1.275 11.200 1.00 0.00 H new ATOM 0 HA ARG A 49 1.344 3.333 11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.407 0.923 13.420 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.774 1.931 13.851 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.177 3.911 13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.141 2.774 13.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.100 2.855 16.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.030 1.539 15.766 1.00 0.00 H new ATOM 0 HE ARG A 49 1.572 3.903 15.729 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.542 2.155 17.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.304 2.729 19.391 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.654 4.636 17.583 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.106 4.128 19.184 1.00 0.00 H new ATOM 744 N LYS A 50 3.151 1.993 10.808 1.00 0.00 N ATOM 745 CA LYS A 50 4.236 1.241 10.191 1.00 0.00 C ATOM 746 C LYS A 50 4.568 -0.004 11.006 1.00 0.00 C ATOM 747 O LYS A 50 4.748 0.068 12.222 1.00 0.00 O ATOM 748 CB LYS A 50 5.481 2.121 10.054 1.00 0.00 C ATOM 749 CG LYS A 50 6.704 1.371 9.555 1.00 0.00 C ATOM 750 CD LYS A 50 7.751 2.320 8.998 1.00 0.00 C ATOM 751 CE LYS A 50 8.697 2.807 10.085 1.00 0.00 C ATOM 752 NZ LYS A 50 10.031 3.176 9.535 1.00 0.00 N ATOM 0 H LYS A 50 3.312 2.999 10.859 1.00 0.00 H new ATOM 0 HA LYS A 50 3.909 0.928 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.263 2.940 9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.709 2.567 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.135 0.791 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.407 0.662 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.321 1.817 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.259 3.174 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.260 3.670 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.817 2.028 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.647 3.503 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.460 2.346 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.920 3.937 8.835 1.00 0.00 H new ATOM 766 N SER A 51 4.650 -1.145 10.330 1.00 0.00 N ATOM 767 CA SER A 51 4.958 -2.407 10.993 1.00 0.00 C ATOM 768 C SER A 51 5.212 -3.510 9.970 1.00 0.00 C ATOM 769 O SER A 51 4.984 -3.326 8.775 1.00 0.00 O ATOM 770 CB SER A 51 3.813 -2.812 11.923 1.00 0.00 C ATOM 771 OG SER A 51 4.279 -3.638 12.976 1.00 0.00 O ATOM 0 H SER A 51 4.507 -1.222 9.323 1.00 0.00 H new ATOM 0 HA SER A 51 5.864 -2.267 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.344 -1.920 12.337 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.048 -3.340 11.354 1.00 0.00 H new ATOM 0 HG SER A 51 3.529 -3.882 13.557 1.00 0.00 H new ATOM 777 N GLN A 52 5.684 -4.656 10.450 1.00 0.00 N ATOM 778 CA GLN A 52 5.969 -5.789 9.578 1.00 0.00 C ATOM 779 C GLN A 52 4.932 -5.894 8.465 1.00 0.00 C ATOM 780 O GLN A 52 5.270 -6.148 7.308 1.00 0.00 O ATOM 781 CB GLN A 52 6.001 -7.087 10.387 1.00 0.00 C ATOM 782 CG GLN A 52 6.805 -8.196 9.727 1.00 0.00 C ATOM 783 CD GLN A 52 8.269 -7.836 9.564 1.00 0.00 C ATOM 784 OE1 GLN A 52 8.857 -7.176 10.421 1.00 0.00 O ATOM 785 NE2 GLN A 52 8.866 -8.270 8.460 1.00 0.00 N ATOM 0 H GLN A 52 5.877 -4.824 11.437 1.00 0.00 H new ATOM 0 HA GLN A 52 6.947 -5.629 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.421 -6.881 11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.979 -7.434 10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.722 -9.104 10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.378 -8.417 8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.340 -8.814 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.850 -8.059 8.296 1.00 0.00 H new ATOM 794 N LYS A 53 3.667 -5.698 8.821 1.00 0.00 N ATOM 795 CA LYS A 53 2.579 -5.770 7.854 1.00 0.00 C ATOM 796 C LYS A 53 2.645 -4.603 6.873 1.00 0.00 C ATOM 797 O LYS A 53 2.883 -4.795 5.681 1.00 0.00 O ATOM 798 CB LYS A 53 1.228 -5.769 8.573 1.00 0.00 C ATOM 799 CG LYS A 53 0.044 -5.564 7.644 1.00 0.00 C ATOM 800 CD LYS A 53 -0.099 -6.714 6.661 1.00 0.00 C ATOM 801 CE LYS A 53 -0.965 -7.828 7.228 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.371 -7.384 7.440 1.00 0.00 N ATOM 0 H LYS A 53 3.370 -5.488 9.774 1.00 0.00 H new ATOM 0 HA LYS A 53 2.685 -6.699 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.106 -6.715 9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.228 -4.982 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.869 -5.471 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.167 -4.629 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.537 -6.348 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.887 -7.108 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.952 -8.680 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.545 -8.169 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.005 -8.207 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.456 -6.933 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.635 -6.702 6.701 1.00 0.00 H new ATOM 816 N TYR A 54 2.435 -3.395 7.384 1.00 0.00 N ATOM 817 CA TYR A 54 2.469 -2.197 6.553 1.00 0.00 C ATOM 818 C TYR A 54 3.830 -1.513 6.640 1.00 0.00 C ATOM 819 O TYR A 54 4.122 -0.808 7.606 1.00 0.00 O ATOM 820 CB TYR A 54 1.369 -1.224 6.978 1.00 0.00 C ATOM 821 CG TYR A 54 -0.014 -1.836 6.976 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.534 -2.423 5.829 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.801 -1.827 8.121 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.797 -2.982 5.823 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.065 -2.385 8.124 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.558 -2.961 6.972 1.00 0.00 C ATOM 827 OH TYR A 54 -3.817 -3.518 6.970 1.00 0.00 O ATOM 0 H TYR A 54 2.239 -3.219 8.370 1.00 0.00 H new ATOM 0 HA TYR A 54 2.299 -2.498 5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.591 -0.852 7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.378 -0.364 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.059 -2.442 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.418 -1.376 9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.186 -3.433 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.663 -2.370 9.023 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.219 -3.421 7.858 1.00 0.00 H new ATOM 837 N ASP A 55 4.658 -1.726 5.623 1.00 0.00 N ATOM 838 CA ASP A 55 5.988 -1.129 5.582 1.00 0.00 C ATOM 839 C ASP A 55 5.977 0.167 4.779 1.00 0.00 C ATOM 840 O ASP A 55 5.928 0.147 3.549 1.00 0.00 O ATOM 841 CB ASP A 55 6.992 -2.111 4.977 1.00 0.00 C ATOM 842 CG ASP A 55 6.907 -3.488 5.605 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.515 -3.691 6.677 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.231 -4.363 5.024 1.00 0.00 O ATOM 0 H ASP A 55 4.432 -2.308 4.816 1.00 0.00 H new ATOM 0 HA ASP A 55 6.288 -0.899 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.815 -2.193 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.001 -1.719 5.104 1.00 0.00 H new ATOM 849 N VAL A 56 6.023 1.294 5.482 1.00 0.00 N ATOM 850 CA VAL A 56 6.019 2.601 4.835 1.00 0.00 C ATOM 851 C VAL A 56 7.417 2.986 4.366 1.00 0.00 C ATOM 852 O VAL A 56 8.290 3.301 5.175 1.00 0.00 O ATOM 853 CB VAL A 56 5.486 3.694 5.780 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.145 4.954 5.000 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.275 3.189 6.549 1.00 0.00 C ATOM 0 H VAL A 56 6.064 1.328 6.501 1.00 0.00 H new ATOM 0 HA VAL A 56 5.358 2.525 3.972 1.00 0.00 H new ATOM 0 HB VAL A 56 6.267 3.941 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.770 5.715 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.039 5.325 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.381 4.726 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.912 3.974 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.488 2.913 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.557 2.317 7.140 1.00 0.00 H new ATOM 865 N VAL A 57 7.624 2.960 3.053 1.00 0.00 N ATOM 866 CA VAL A 57 8.916 3.309 2.475 1.00 0.00 C ATOM 867 C VAL A 57 8.853 4.652 1.757 1.00 0.00 C ATOM 868 O VAL A 57 8.276 4.762 0.674 1.00 0.00 O ATOM 869 CB VAL A 57 9.397 2.231 1.485 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.876 2.412 1.176 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.126 0.841 2.038 1.00 0.00 C ATOM 0 H VAL A 57 6.913 2.701 2.369 1.00 0.00 H new ATOM 0 HA VAL A 57 9.624 3.376 3.301 1.00 0.00 H new ATOM 0 HB VAL A 57 8.840 2.342 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.198 1.642 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.038 3.395 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.453 2.329 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.472 0.092 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.656 0.716 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.056 0.717 2.203 1.00 0.00 H new ATOM 914 N THR A 61 10.835 11.645 -3.014 1.00 0.00 N ATOM 915 CA THR A 61 9.534 11.996 -3.568 1.00 0.00 C ATOM 916 C THR A 61 8.763 10.752 -3.994 1.00 0.00 C ATOM 917 O THR A 61 8.100 10.746 -5.030 1.00 0.00 O ATOM 918 CB THR A 61 9.675 12.938 -4.779 1.00 0.00 C ATOM 919 OG1 THR A 61 10.599 12.387 -5.724 1.00 0.00 O ATOM 920 CG2 THR A 61 10.151 14.315 -4.341 1.00 0.00 C ATOM 0 HA THR A 61 8.983 12.509 -2.779 1.00 0.00 H new ATOM 0 HB THR A 61 8.696 13.041 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.204 11.767 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.243 14.963 -5.213 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.431 14.744 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.121 14.226 -3.851 1.00 0.00 H new ATOM 928 N MET A 62 8.855 9.700 -3.187 1.00 0.00 N ATOM 929 CA MET A 62 8.164 8.449 -3.481 1.00 0.00 C ATOM 930 C MET A 62 7.679 7.783 -2.198 1.00 0.00 C ATOM 931 O MET A 62 8.477 7.437 -1.327 1.00 0.00 O ATOM 932 CB MET A 62 9.088 7.499 -4.246 1.00 0.00 C ATOM 933 CG MET A 62 8.359 6.331 -4.890 1.00 0.00 C ATOM 934 SD MET A 62 7.746 5.143 -3.681 1.00 0.00 S ATOM 935 CE MET A 62 9.274 4.359 -3.172 1.00 0.00 C ATOM 0 H MET A 62 9.401 9.688 -2.325 1.00 0.00 H new ATOM 0 HA MET A 62 7.297 8.678 -4.101 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.613 8.060 -5.019 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.845 7.113 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.523 6.709 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.032 5.825 -5.582 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.180 3.278 -3.274 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.091 4.713 -3.800 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.482 4.608 -2.131 1.00 0.00 H new ATOM 945 N ALA A 63 6.366 7.605 -2.089 1.00 0.00 N ATOM 946 CA ALA A 63 5.776 6.978 -0.913 1.00 0.00 C ATOM 947 C ALA A 63 5.182 5.616 -1.257 1.00 0.00 C ATOM 948 O ALA A 63 4.143 5.528 -1.910 1.00 0.00 O ATOM 949 CB ALA A 63 4.711 7.883 -0.311 1.00 0.00 C ATOM 0 H ALA A 63 5.691 7.886 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 63 6.566 6.826 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.279 7.402 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.162 8.832 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.929 8.064 -1.048 1.00 0.00 H new ATOM 955 N MET A 64 5.850 4.556 -0.813 1.00 0.00 N ATOM 956 CA MET A 64 5.387 3.198 -1.074 1.00 0.00 C ATOM 957 C MET A 64 4.857 2.549 0.201 1.00 0.00 C ATOM 958 O MET A 64 5.259 2.911 1.308 1.00 0.00 O ATOM 959 CB MET A 64 6.522 2.352 -1.656 1.00 0.00 C ATOM 960 CG MET A 64 6.051 1.046 -2.274 1.00 0.00 C ATOM 961 SD MET A 64 7.383 0.143 -3.088 1.00 0.00 S ATOM 962 CE MET A 64 8.298 -0.460 -1.672 1.00 0.00 C ATOM 0 H MET A 64 6.713 4.611 -0.271 1.00 0.00 H new ATOM 0 HA MET A 64 4.574 3.252 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.047 2.934 -2.413 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.242 2.133 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.613 0.418 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.263 1.254 -2.998 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.850 -1.357 -1.951 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.997 0.307 -1.337 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.605 -0.697 -0.865 1.00 0.00 H new ATOM 972 N LEU A 65 3.952 1.590 0.040 1.00 0.00 N ATOM 973 CA LEU A 65 3.366 0.892 1.178 1.00 0.00 C ATOM 974 C LEU A 65 3.249 -0.603 0.898 1.00 0.00 C ATOM 975 O LEU A 65 2.432 -1.030 0.082 1.00 0.00 O ATOM 976 CB LEU A 65 1.988 1.471 1.503 1.00 0.00 C ATOM 977 CG LEU A 65 1.193 0.744 2.588 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.745 1.074 3.966 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.283 1.106 2.501 1.00 0.00 C ATOM 0 H LEU A 65 3.608 1.278 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 65 4.023 1.032 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.115 2.510 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.394 1.478 0.589 1.00 0.00 H new ATOM 0 HG LEU A 65 1.293 -0.329 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.167 0.548 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.788 0.763 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.676 2.148 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.833 0.579 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.402 2.181 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.672 0.817 1.524 1.00 0.00 H new ATOM 991 N VAL A 66 4.068 -1.394 1.583 1.00 0.00 N ATOM 992 CA VAL A 66 4.055 -2.842 1.411 1.00 0.00 C ATOM 993 C VAL A 66 3.056 -3.499 2.357 1.00 0.00 C ATOM 994 O VAL A 66 3.104 -3.289 3.569 1.00 0.00 O ATOM 995 CB VAL A 66 5.450 -3.449 1.652 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.486 -4.900 1.198 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.516 -2.632 0.940 1.00 0.00 C ATOM 0 H VAL A 66 4.749 -1.056 2.263 1.00 0.00 H new ATOM 0 HA VAL A 66 3.756 -3.035 0.381 1.00 0.00 H new ATOM 0 HB VAL A 66 5.659 -3.423 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.479 -5.312 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.749 -5.475 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.256 -4.954 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.495 -3.075 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.314 -2.624 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.505 -1.610 1.319 1.00 0.00 H new ATOM 1007 N ILE A 67 2.152 -4.294 1.795 1.00 0.00 N ATOM 1008 CA ILE A 67 1.143 -4.983 2.590 1.00 0.00 C ATOM 1009 C ILE A 67 1.416 -6.482 2.645 1.00 0.00 C ATOM 1010 O ILE A 67 0.765 -7.268 1.956 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.272 -4.751 2.026 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.589 -3.255 1.985 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.304 -5.494 2.862 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.537 -2.868 0.872 1.00 0.00 C ATOM 0 H ILE A 67 2.098 -4.477 0.793 1.00 0.00 H new ATOM 0 HA ILE A 67 1.197 -4.569 3.597 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.310 -5.139 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.022 -2.957 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.341 -2.698 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.299 -5.320 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.086 -6.562 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.268 -5.133 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.716 -1.793 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.097 -3.134 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.481 -3.397 0.998 1.00 0.00 H new ATOM 1026 N ARG A 68 2.381 -6.872 3.471 1.00 0.00 N ATOM 1027 CA ARG A 68 2.740 -8.277 3.618 1.00 0.00 C ATOM 1028 C ARG A 68 1.493 -9.146 3.749 1.00 0.00 C ATOM 1029 O ARG A 68 0.568 -8.815 4.490 1.00 0.00 O ATOM 1030 CB ARG A 68 3.640 -8.471 4.839 1.00 0.00 C ATOM 1031 CG ARG A 68 5.123 -8.337 4.531 1.00 0.00 C ATOM 1032 CD ARG A 68 5.688 -9.623 3.948 1.00 0.00 C ATOM 1033 NE ARG A 68 6.039 -10.588 4.987 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.476 -11.816 4.732 1.00 0.00 C ATOM 1035 NH1 ARG A 68 6.616 -12.227 3.479 1.00 0.00 N ATOM 1036 NH2 ARG A 68 6.774 -12.636 5.732 1.00 0.00 N ATOM 0 H ARG A 68 2.928 -6.234 4.049 1.00 0.00 H new ATOM 0 HA ARG A 68 3.283 -8.582 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.368 -7.739 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.454 -9.457 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.277 -7.519 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.664 -8.081 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.956 -10.067 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.572 -9.393 3.353 1.00 0.00 H new ATOM 0 HE ARG A 68 5.943 -10.303 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.388 -11.599 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.952 -13.171 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.667 -12.323 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.110 -13.579 5.536 1.00 0.00 H new ATOM 1050 N GLY A 69 1.475 -10.260 3.022 1.00 0.00 N ATOM 1051 CA GLY A 69 0.336 -11.159 3.071 1.00 0.00 C ATOM 1052 C GLY A 69 -0.985 -10.418 3.135 1.00 0.00 C ATOM 1053 O GLY A 69 -1.551 -10.238 4.213 1.00 0.00 O ATOM 0 H GLY A 69 2.228 -10.555 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.346 -11.802 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.427 -11.809 3.941 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.476 -9.986 1.978 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.739 -9.261 1.908 1.00 0.00 C ATOM 1059 C ALA A 70 -3.922 -10.222 1.872 1.00 0.00 C ATOM 1060 O ALA A 70 -4.241 -10.791 0.828 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.758 -8.352 0.688 1.00 0.00 C ATOM 0 H ALA A 70 -1.019 -10.125 1.077 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.829 -8.649 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.707 -7.817 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.939 -7.635 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.642 -8.952 -0.215 1.00 0.00 H new ATOM 1067 N SER A 71 -4.570 -10.399 3.020 1.00 0.00 N ATOM 1068 CA SER A 71 -5.716 -11.294 3.120 1.00 0.00 C ATOM 1069 C SER A 71 -6.983 -10.615 2.612 1.00 0.00 C ATOM 1070 O SER A 71 -7.070 -9.387 2.570 1.00 0.00 O ATOM 1071 CB SER A 71 -5.912 -11.745 4.569 1.00 0.00 C ATOM 1072 OG SER A 71 -5.009 -12.784 4.907 1.00 0.00 O ATOM 0 H SER A 71 -4.320 -9.934 3.893 1.00 0.00 H new ATOM 0 HA SER A 71 -5.519 -12.167 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.765 -10.898 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.937 -12.089 4.711 1.00 0.00 H new ATOM 0 HG SER A 71 -5.154 -13.053 5.838 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.965 -11.422 2.225 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.230 -10.900 1.718 1.00 0.00 C ATOM 1080 C LEU A 72 -9.660 -9.662 2.499 1.00 0.00 C ATOM 1081 O LEU A 72 -10.199 -8.712 1.930 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.317 -11.972 1.802 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.114 -13.204 0.918 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.037 -14.331 1.354 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.348 -12.856 -0.544 1.00 0.00 C ATOM 0 H LEU A 72 -7.910 -12.440 2.253 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.086 -10.618 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.395 -12.302 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.271 -11.515 1.540 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.084 -13.542 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.879 -15.199 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.821 -14.599 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.074 -14.004 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.199 -13.744 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.368 -12.493 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.645 -12.081 -0.851 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.415 -9.678 3.805 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.774 -8.556 4.664 1.00 0.00 C ATOM 1099 C LYS A 73 -9.003 -7.300 4.269 1.00 0.00 C ATOM 1100 O LYS A 73 -9.566 -6.206 4.218 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.493 -8.899 6.129 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.848 -7.781 7.094 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.346 -7.707 7.335 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.818 -8.816 8.262 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.267 -9.111 8.082 1.00 0.00 N ATOM 0 H LYS A 73 -8.969 -10.456 4.292 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.839 -8.362 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.056 -9.793 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.436 -9.142 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.334 -7.940 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.495 -6.830 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.598 -6.739 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.872 -7.779 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.237 -9.719 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.632 -8.528 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.550 -9.872 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.823 -8.257 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.441 -9.410 7.101 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.715 -7.465 3.990 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.868 -6.345 3.596 1.00 0.00 C ATOM 1121 C ASP A 74 -7.559 -5.485 2.542 1.00 0.00 C ATOM 1122 O ASP A 74 -7.490 -4.257 2.586 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.530 -6.854 3.059 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.637 -7.402 4.156 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.086 -8.309 4.888 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.490 -6.925 4.280 1.00 0.00 O ATOM 0 H ASP A 74 -7.234 -8.364 4.029 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.687 -5.731 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.712 -7.633 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.015 -6.042 2.547 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.225 -6.139 1.596 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.929 -5.435 0.532 1.00 0.00 C ATOM 1133 C ALA A 75 -9.722 -4.255 1.085 1.00 0.00 C ATOM 1134 O ALA A 75 -10.652 -4.433 1.871 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.851 -6.390 -0.213 1.00 0.00 C ATOM 0 H ALA A 75 -8.292 -7.156 1.545 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.187 -5.046 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.370 -5.851 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.263 -7.197 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.581 -6.807 0.481 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.346 -3.049 0.669 1.00 0.00 N ATOM 1142 CA GLY A 76 -10.032 -1.858 1.134 1.00 0.00 C ATOM 1143 C GLY A 76 -9.518 -0.596 0.469 1.00 0.00 C ATOM 1144 O GLY A 76 -8.727 -0.662 -0.471 1.00 0.00 O ATOM 0 H GLY A 76 -8.579 -2.876 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.100 -1.958 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.911 -1.771 2.214 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.972 0.555 0.956 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.554 1.836 0.400 1.00 0.00 C ATOM 1150 C GLU A 77 -8.346 2.388 1.151 1.00 0.00 C ATOM 1151 O GLU A 77 -8.245 2.252 2.371 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.706 2.841 0.456 1.00 0.00 C ATOM 1153 CG GLU A 77 -11.553 2.868 -0.806 1.00 0.00 C ATOM 1154 CD GLU A 77 -12.719 1.902 -0.746 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -13.658 2.154 0.038 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.694 0.893 -1.483 1.00 0.00 O ATOM 0 H GLU A 77 -10.628 0.626 1.733 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.270 1.676 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.344 2.602 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.300 3.837 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.931 3.878 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.927 2.624 -1.664 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.432 3.009 0.414 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.229 3.579 1.010 1.00 0.00 C ATOM 1165 C TYR A 78 -6.139 5.076 0.728 1.00 0.00 C ATOM 1166 O TYR A 78 -5.822 5.493 -0.386 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.984 2.872 0.472 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.760 1.502 1.071 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.422 0.387 0.573 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.884 1.323 2.136 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.220 -0.866 1.119 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.675 0.073 2.686 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.346 -1.018 2.175 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.141 -2.265 2.720 1.00 0.00 O ATOM 0 H TYR A 78 -7.501 3.131 -0.596 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.284 3.433 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.070 2.777 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.110 3.493 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.106 0.501 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.358 2.175 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.744 -1.722 0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.990 -0.049 3.512 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.337 -2.249 3.280 1.00 0.00 H new ATOM 1184 N THR A 79 -6.418 5.881 1.749 1.00 0.00 N ATOM 1185 CA THR A 79 -6.369 7.332 1.613 1.00 0.00 C ATOM 1186 C THR A 79 -5.033 7.884 2.096 1.00 0.00 C ATOM 1187 O THR A 79 -4.732 7.851 3.290 1.00 0.00 O ATOM 1188 CB THR A 79 -7.507 8.008 2.401 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.776 7.560 1.913 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.419 9.522 2.286 1.00 0.00 C ATOM 0 H THR A 79 -6.680 5.553 2.679 1.00 0.00 H new ATOM 0 HA THR A 79 -6.489 7.555 0.553 1.00 0.00 H new ATOM 0 HB THR A 79 -7.405 7.732 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.493 7.994 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.233 9.978 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.464 9.862 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.497 9.812 1.238 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.236 8.392 1.162 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.931 8.952 1.493 1.00 0.00 C ATOM 1200 C CYS A 80 -3.026 10.458 1.713 1.00 0.00 C ATOM 1201 O CYS A 80 -2.829 11.244 0.787 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.926 8.650 0.381 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.970 7.137 0.641 1.00 0.00 S ATOM 0 H CYS A 80 -4.471 8.427 0.170 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.588 8.488 2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.461 8.571 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.238 9.491 0.290 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.715 6.249 1.229 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.331 10.853 2.946 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.454 12.266 3.286 1.00 0.00 C ATOM 1211 C GLU A 81 -2.093 12.955 3.250 1.00 0.00 C ATOM 1212 O GLU A 81 -1.170 12.569 3.968 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.084 12.426 4.671 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.922 13.685 4.817 1.00 0.00 C ATOM 1215 CD GLU A 81 -4.976 14.187 6.247 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.287 13.381 7.148 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.707 15.388 6.464 1.00 0.00 O ATOM 0 H GLU A 81 -3.497 10.215 3.725 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.099 12.738 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.709 11.558 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.293 12.437 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.512 14.466 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.935 13.485 4.467 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.976 13.978 2.410 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.729 14.722 2.280 1.00 0.00 C ATOM 1226 C VAL A 82 -0.862 16.124 2.865 1.00 0.00 C ATOM 1227 O VAL A 82 -1.931 16.510 3.337 1.00 0.00 O ATOM 1228 CB VAL A 82 -0.292 14.832 0.807 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -1.054 15.945 0.105 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.209 15.061 0.713 1.00 0.00 C ATOM 0 H VAL A 82 -2.730 14.311 1.809 1.00 0.00 H new ATOM 0 HA VAL A 82 0.029 14.170 2.836 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.526 13.893 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.732 16.007 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.123 15.733 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.855 16.893 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.501 15.136 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.469 15.985 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.734 14.226 1.177 1.00 0.00 H new ATOM 1240 N GLU A 83 0.230 16.880 2.830 1.00 0.00 N ATOM 1241 CA GLU A 83 0.235 18.239 3.357 1.00 0.00 C ATOM 1242 C GLU A 83 -1.153 18.865 3.260 1.00 0.00 C ATOM 1243 O GLU A 83 -1.836 19.047 4.268 1.00 0.00 O ATOM 1244 CB GLU A 83 1.249 19.100 2.601 1.00 0.00 C ATOM 1245 CG GLU A 83 1.522 18.618 1.186 1.00 0.00 C ATOM 1246 CD GLU A 83 1.905 19.746 0.249 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.048 20.240 0.352 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.063 20.136 -0.587 1.00 0.00 O ATOM 0 H GLU A 83 1.123 16.575 2.442 1.00 0.00 H new ATOM 0 HA GLU A 83 0.521 18.193 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.884 20.126 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.186 19.116 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.323 17.880 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.635 18.115 0.800 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.563 19.194 2.039 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.870 19.798 1.809 1.00 0.00 C ATOM 1257 C ALA A 84 -3.706 18.951 0.856 1.00 0.00 C ATOM 1258 O ALA A 84 -4.932 18.910 0.960 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.710 21.209 1.263 1.00 0.00 C ATOM 0 H ALA A 84 -1.009 19.052 1.194 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.394 19.847 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.694 21.648 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.159 21.816 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.163 21.175 0.321 1.00 0.00 H new ATOM 1265 N SER A 85 -3.036 18.277 -0.073 1.00 0.00 N ATOM 1266 CA SER A 85 -3.718 17.434 -1.047 1.00 0.00 C ATOM 1267 C SER A 85 -4.107 16.094 -0.430 1.00 0.00 C ATOM 1268 O SER A 85 -3.933 15.876 0.769 1.00 0.00 O ATOM 1269 CB SER A 85 -2.826 17.206 -2.269 1.00 0.00 C ATOM 1270 OG SER A 85 -2.989 18.243 -3.221 1.00 0.00 O ATOM 0 H SER A 85 -2.021 18.299 -0.171 1.00 0.00 H new ATOM 0 HA SER A 85 -4.627 17.947 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.783 17.155 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.069 16.247 -2.726 1.00 0.00 H new ATOM 0 HG SER A 85 -2.676 17.935 -4.097 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.635 15.199 -1.258 1.00 0.00 N ATOM 1277 CA LYS A 86 -5.048 13.879 -0.796 1.00 0.00 C ATOM 1278 C LYS A 86 -5.133 12.898 -1.960 1.00 0.00 C ATOM 1279 O LYS A 86 -5.183 13.301 -3.122 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.402 13.965 -0.088 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.309 14.460 1.345 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.492 13.990 2.175 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.768 14.722 1.792 1.00 0.00 C ATOM 1284 NZ LYS A 86 -8.850 16.066 2.429 1.00 0.00 N ATOM 0 H LYS A 86 -4.787 15.364 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.299 13.517 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.056 14.631 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.869 12.980 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.383 14.103 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.268 15.549 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.631 12.918 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.283 14.151 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.813 14.831 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.631 14.126 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.734 16.532 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.833 15.961 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.040 16.644 2.126 1.00 0.00 H new ATOM 1298 N SER A 87 -5.150 11.608 -1.640 1.00 0.00 N ATOM 1299 CA SER A 87 -5.226 10.568 -2.660 1.00 0.00 C ATOM 1300 C SER A 87 -5.923 9.324 -2.117 1.00 0.00 C ATOM 1301 O SER A 87 -5.742 8.953 -0.957 1.00 0.00 O ATOM 1302 CB SER A 87 -3.824 10.206 -3.155 1.00 0.00 C ATOM 1303 OG SER A 87 -3.825 8.952 -3.815 1.00 0.00 O ATOM 0 H SER A 87 -5.112 11.258 -0.683 1.00 0.00 H new ATOM 0 HA SER A 87 -5.810 10.955 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.464 10.978 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.134 10.176 -2.312 1.00 0.00 H new ATOM 0 HG SER A 87 -3.494 8.261 -3.204 1.00 0.00 H new ATOM 1309 N THR A 88 -6.721 8.683 -2.965 1.00 0.00 N ATOM 1310 CA THR A 88 -7.447 7.482 -2.572 1.00 0.00 C ATOM 1311 C THR A 88 -7.273 6.373 -3.603 1.00 0.00 C ATOM 1312 O THR A 88 -6.989 6.637 -4.770 1.00 0.00 O ATOM 1313 CB THR A 88 -8.950 7.768 -2.390 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.132 9.016 -1.712 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.621 6.653 -1.601 1.00 0.00 C ATOM 0 H THR A 88 -6.881 8.976 -3.929 1.00 0.00 H new ATOM 0 HA THR A 88 -7.029 7.157 -1.619 1.00 0.00 H new ATOM 0 HB THR A 88 -9.410 7.821 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.090 9.192 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.681 6.877 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.505 5.709 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.157 6.573 -0.618 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.446 5.130 -3.163 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.312 3.981 -4.049 1.00 0.00 C ATOM 1325 C ALA A 89 -8.258 2.858 -3.639 1.00 0.00 C ATOM 1326 O ALA A 89 -9.050 3.009 -2.709 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.873 3.486 -4.055 1.00 0.00 C ATOM 0 H ALA A 89 -7.679 4.894 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.581 4.297 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.786 2.627 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.216 4.283 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.585 3.193 -3.045 1.00 0.00 H new ATOM 1333 N SER A 90 -8.170 1.731 -4.339 1.00 0.00 N ATOM 1334 CA SER A 90 -9.022 0.583 -4.050 1.00 0.00 C ATOM 1335 C SER A 90 -8.264 -0.723 -4.264 1.00 0.00 C ATOM 1336 O SER A 90 -7.924 -1.080 -5.393 1.00 0.00 O ATOM 1337 CB SER A 90 -10.271 0.613 -4.934 1.00 0.00 C ATOM 1338 OG SER A 90 -11.008 1.806 -4.736 1.00 0.00 O ATOM 0 H SER A 90 -7.518 1.589 -5.110 1.00 0.00 H new ATOM 0 HA SER A 90 -9.325 0.640 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.981 0.531 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.900 -0.248 -4.709 1.00 0.00 H new ATOM 0 HG SER A 90 -11.800 1.801 -5.313 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.003 -1.433 -3.172 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.285 -2.702 -3.238 1.00 0.00 C ATOM 1346 C LEU A 91 -8.256 -3.870 -3.376 1.00 0.00 C ATOM 1347 O LEU A 91 -9.261 -3.943 -2.669 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.421 -2.887 -1.989 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.932 -4.309 -1.716 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -4.823 -4.688 -2.685 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.455 -4.442 -0.277 1.00 0.00 C ATOM 0 H LEU A 91 -8.277 -1.152 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.642 -2.682 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.551 -2.235 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.991 -2.548 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.766 -4.994 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.488 -5.704 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.198 -4.634 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.987 -3.999 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.110 -5.461 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.635 -3.746 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.277 -4.214 0.401 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.947 -4.785 -4.290 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.791 -5.952 -4.519 1.00 0.00 C ATOM 1365 C HIS A 92 -8.023 -7.241 -4.237 1.00 0.00 C ATOM 1366 O HIS A 92 -6.858 -7.375 -4.609 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.310 -5.958 -5.957 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.978 -4.679 -6.358 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.344 -4.499 -6.317 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.459 -3.513 -6.807 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.637 -3.277 -6.727 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.510 -2.658 -7.029 1.00 0.00 N ATOM 0 H HIS A 92 -7.119 -4.740 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.638 -5.897 -3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.478 -6.152 -6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.016 -6.780 -6.076 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.413 -3.295 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.629 -2.856 -6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.433 -1.700 -7.372 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.685 -8.186 -3.576 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.066 -9.463 -3.245 1.00 0.00 C ATOM 1383 C VAL A 93 -9.049 -10.614 -3.426 1.00 0.00 C ATOM 1384 O VAL A 93 -9.998 -10.759 -2.655 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.540 -9.474 -1.797 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.034 -10.858 -1.423 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.447 -8.431 -1.620 1.00 0.00 C ATOM 0 H VAL A 93 -9.650 -8.090 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.228 -9.594 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.363 -9.222 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.667 -10.846 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.848 -11.578 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.225 -11.143 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.087 -8.452 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.622 -8.650 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.848 -7.442 -1.844 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.815 -11.430 -4.449 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.682 -12.569 -4.730 1.00 0.00 C ATOM 1399 C GLU A 94 -8.875 -13.863 -4.797 1.00 0.00 C ATOM 1400 O GLU A 94 -7.768 -13.889 -5.334 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.432 -12.354 -6.046 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.403 -11.186 -6.010 1.00 0.00 C ATOM 1403 CD GLU A 94 -11.583 -10.534 -7.367 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.413 -11.030 -8.157 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -10.893 -9.529 -7.639 1.00 0.00 O ATOM 0 H GLU A 94 -8.034 -11.324 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.404 -12.653 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.708 -12.189 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.979 -13.263 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.370 -11.534 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.044 -10.442 -5.299 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.439 -14.934 -4.247 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.772 -16.230 -4.243 1.00 0.00 C ATOM 1414 C GLU A 95 -8.899 -16.911 -5.603 1.00 0.00 C ATOM 1415 O GLU A 95 -9.949 -16.856 -6.243 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.362 -17.129 -3.154 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.367 -18.127 -2.584 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.124 -19.301 -3.512 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.079 -20.065 -3.764 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -6.979 -19.457 -3.985 1.00 0.00 O ATOM 0 H GLU A 95 -10.355 -14.929 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.715 -16.065 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.742 -16.505 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.214 -17.672 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.422 -17.621 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.735 -18.495 -1.626 1.00 0.00 H new