USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HE2:sc= 1.16 K(o=3.2,f=-6.2!) USER MOD Set 1.2: A 136 SER OG : rot 61:sc= 2.05 USER MOD Set 2.1: A 59 ASN : amide:sc= 1.09 K(o=2,f=-5.7!) USER MOD Set 2.2: A 143 LYS NZ :NH3+ -162:sc= 0.928 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -69:sc= 1.27 USER MOD Single : A 34 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.871) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 162:sc= 1.21 USER MOD Single : A 40 ASN : amide:sc= -1.33 K(o=-1.3,f=-10!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.709 X(o=-0.71,f=-0.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.113 (180deg=-0.45) USER MOD Single : A 63 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.38) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.000789 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.804 K(o=-0.8,f=-0.0028) USER MOD Single : A 74 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.571) USER MOD Single : A 99 TYR OH : rot -132:sc= 0.00631 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.808) USER MOD Single : A 105 SER OG : rot 156:sc= 2.37 USER MOD Single : A 123 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot -35:sc= -1.65! USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 164:sc= -0.0635 (180deg=-0.416) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -15.108 12.400 12.102 1.00 33.12 N ATOM 61 CA ASP A 18 -14.301 11.584 13.009 1.00 42.12 C ATOM 62 C ASP A 18 -14.970 10.260 13.277 1.00 2.21 C ATOM 63 O ASP A 18 -14.331 9.217 13.260 1.00 60.40 O ATOM 64 CB ASP A 18 -14.057 12.300 14.332 1.00 55.50 C ATOM 65 CG ASP A 18 -13.283 13.561 14.150 1.00 61.43 C ATOM 66 OD1 ASP A 18 -13.847 14.660 14.364 1.00 75.12 O ATOM 67 OD2 ASP A 18 -12.124 13.487 13.734 1.00 11.40 O ATOM 0 HA ASP A 18 -13.342 11.413 12.520 1.00 42.12 H new ATOM 0 HB2 ASP A 18 -15.013 12.526 14.803 1.00 55.50 H new ATOM 0 HB3 ASP A 18 -13.517 11.638 15.009 1.00 55.50 H new ATOM 72 N LEU A 19 -16.271 10.308 13.477 1.00 42.55 N ATOM 73 CA LEU A 19 -17.070 9.127 13.752 1.00 31.04 C ATOM 74 C LEU A 19 -17.032 8.195 12.544 1.00 34.13 C ATOM 75 O LEU A 19 -16.878 6.987 12.688 1.00 40.41 O ATOM 76 CB LEU A 19 -18.526 9.568 14.137 1.00 21.43 C ATOM 77 CG LEU A 19 -19.593 8.493 14.520 1.00 5.43 C ATOM 78 CD1 LEU A 19 -20.108 7.715 13.312 1.00 10.12 C ATOM 79 CD2 LEU A 19 -19.053 7.545 15.577 1.00 52.31 C ATOM 0 H LEU A 19 -16.810 11.174 13.454 1.00 42.55 H new ATOM 0 HA LEU A 19 -16.665 8.571 14.597 1.00 31.04 H new ATOM 0 HB2 LEU A 19 -18.444 10.257 14.978 1.00 21.43 H new ATOM 0 HB3 LEU A 19 -18.925 10.136 13.297 1.00 21.43 H new ATOM 0 HG LEU A 19 -20.444 9.034 14.934 1.00 5.43 H new ATOM 0 HD11 LEU A 19 -20.846 6.983 13.639 1.00 10.12 H new ATOM 0 HD12 LEU A 19 -20.569 8.404 12.605 1.00 10.12 H new ATOM 0 HD13 LEU A 19 -19.277 7.202 12.829 1.00 10.12 H new ATOM 0 HD21 LEU A 19 -19.815 6.806 15.826 1.00 52.31 H new ATOM 0 HD22 LEU A 19 -18.168 7.038 15.193 1.00 52.31 H new ATOM 0 HD23 LEU A 19 -18.789 8.110 16.471 1.00 52.31 H new ATOM 91 N ASP A 20 -17.102 8.775 11.365 1.00 43.44 N ATOM 92 CA ASP A 20 -17.101 8.011 10.133 1.00 21.41 C ATOM 93 C ASP A 20 -15.762 7.335 9.929 1.00 73.21 C ATOM 94 O ASP A 20 -15.716 6.142 9.641 1.00 33.00 O ATOM 95 CB ASP A 20 -17.478 8.894 8.929 1.00 14.12 C ATOM 96 CG ASP A 20 -17.541 8.138 7.602 1.00 32.45 C ATOM 97 OD1 ASP A 20 -16.910 8.585 6.620 1.00 11.35 O ATOM 98 OD2 ASP A 20 -18.266 7.116 7.506 1.00 72.14 O ATOM 0 H ASP A 20 -17.161 9.785 11.232 1.00 43.44 H new ATOM 0 HA ASP A 20 -17.861 7.234 10.212 1.00 21.41 H new ATOM 0 HB2 ASP A 20 -18.447 9.356 9.119 1.00 14.12 H new ATOM 0 HB3 ASP A 20 -16.751 9.702 8.842 1.00 14.12 H new ATOM 103 N VAL A 21 -14.671 8.062 10.177 1.00 34.33 N ATOM 104 CA VAL A 21 -13.341 7.491 9.972 1.00 63.32 C ATOM 105 C VAL A 21 -13.009 6.419 11.010 1.00 75.41 C ATOM 106 O VAL A 21 -12.414 5.394 10.674 1.00 15.51 O ATOM 107 CB VAL A 21 -12.180 8.544 9.912 1.00 11.23 C ATOM 108 CG1 VAL A 21 -12.481 9.616 8.915 1.00 3.53 C ATOM 109 CG2 VAL A 21 -11.858 9.152 11.264 1.00 60.14 C ATOM 0 H VAL A 21 -14.680 9.025 10.512 1.00 34.33 H new ATOM 0 HA VAL A 21 -13.401 7.035 8.984 1.00 63.32 H new ATOM 0 HB VAL A 21 -11.291 8.000 9.592 1.00 11.23 H new ATOM 0 HG11 VAL A 21 -11.660 10.333 8.893 1.00 3.53 H new ATOM 0 HG12 VAL A 21 -12.601 9.171 7.927 1.00 3.53 H new ATOM 0 HG13 VAL A 21 -13.402 10.127 9.197 1.00 3.53 H new ATOM 0 HG21 VAL A 21 -11.047 9.872 11.155 1.00 60.14 H new ATOM 0 HG22 VAL A 21 -12.741 9.657 11.656 1.00 60.14 H new ATOM 0 HG23 VAL A 21 -11.554 8.365 11.954 1.00 60.14 H new ATOM 119 N LYS A 22 -13.407 6.626 12.265 1.00 54.41 N ATOM 120 CA LYS A 22 -13.087 5.655 13.286 1.00 71.15 C ATOM 121 C LYS A 22 -14.009 4.464 13.193 1.00 30.35 C ATOM 122 O LYS A 22 -13.621 3.346 13.515 1.00 32.54 O ATOM 123 CB LYS A 22 -13.021 6.289 14.704 1.00 1.44 C ATOM 124 CG LYS A 22 -14.317 6.882 15.257 1.00 42.14 C ATOM 125 CD LYS A 22 -15.213 5.857 15.953 1.00 51.15 C ATOM 126 CE LYS A 22 -14.549 5.296 17.208 1.00 42.13 C ATOM 127 NZ LYS A 22 -15.447 4.432 17.983 1.00 54.14 N ATOM 0 H LYS A 22 -13.937 7.437 12.584 1.00 54.41 H new ATOM 0 HA LYS A 22 -12.079 5.284 13.102 1.00 71.15 H new ATOM 0 HB2 LYS A 22 -12.672 5.527 15.401 1.00 1.44 H new ATOM 0 HB3 LYS A 22 -12.267 7.076 14.689 1.00 1.44 H new ATOM 0 HG2 LYS A 22 -14.071 7.675 15.963 1.00 42.14 H new ATOM 0 HG3 LYS A 22 -14.873 7.343 14.440 1.00 42.14 H new ATOM 0 HD2 LYS A 22 -16.162 6.323 16.219 1.00 51.15 H new ATOM 0 HD3 LYS A 22 -15.439 5.043 15.265 1.00 51.15 H new ATOM 0 HE2 LYS A 22 -13.662 4.730 16.923 1.00 42.13 H new ATOM 0 HE3 LYS A 22 -14.213 6.121 17.836 1.00 42.13 H new ATOM 0 HZ1 LYS A 22 -14.948 4.078 18.824 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 -16.282 4.976 18.280 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 -15.749 3.629 17.395 1.00 54.14 H new ATOM 141 N GLY A 23 -15.210 4.705 12.688 1.00 4.44 N ATOM 142 CA GLY A 23 -16.162 3.642 12.505 1.00 21.10 C ATOM 143 C GLY A 23 -15.748 2.772 11.352 1.00 42.10 C ATOM 144 O GLY A 23 -15.791 1.549 11.438 1.00 4.10 O ATOM 0 H GLY A 23 -15.539 5.627 12.401 1.00 4.44 H new ATOM 0 HA2 GLY A 23 -16.232 3.045 13.414 1.00 21.10 H new ATOM 0 HA3 GLY A 23 -17.152 4.058 12.320 1.00 21.10 H new ATOM 148 N LEU A 24 -15.285 3.419 10.292 1.00 61.41 N ATOM 149 CA LEU A 24 -14.836 2.766 9.102 1.00 32.42 C ATOM 150 C LEU A 24 -13.563 2.004 9.411 1.00 2.22 C ATOM 151 O LEU A 24 -13.453 0.821 9.113 1.00 40.41 O ATOM 152 CB LEU A 24 -14.544 3.831 8.047 1.00 34.00 C ATOM 153 CG LEU A 24 -14.258 3.336 6.661 1.00 53.21 C ATOM 154 CD1 LEU A 24 -15.540 2.906 5.983 1.00 32.22 C ATOM 155 CD2 LEU A 24 -13.510 4.367 5.839 1.00 5.14 C ATOM 0 H LEU A 24 -15.215 4.436 10.249 1.00 61.41 H new ATOM 0 HA LEU A 24 -15.596 2.076 8.736 1.00 32.42 H new ATOM 0 HB2 LEU A 24 -15.398 4.507 7.999 1.00 34.00 H new ATOM 0 HB3 LEU A 24 -13.690 4.419 8.383 1.00 34.00 H new ATOM 0 HG LEU A 24 -13.605 2.467 6.740 1.00 53.21 H new ATOM 0 HD11 LEU A 24 -15.318 2.549 4.977 1.00 32.22 H new ATOM 0 HD12 LEU A 24 -16.005 2.105 6.558 1.00 32.22 H new ATOM 0 HD13 LEU A 24 -16.223 3.754 5.924 1.00 32.22 H new ATOM 0 HD21 LEU A 24 -13.322 3.970 4.841 1.00 5.14 H new ATOM 0 HD22 LEU A 24 -14.109 5.275 5.762 1.00 5.14 H new ATOM 0 HD23 LEU A 24 -12.561 4.599 6.322 1.00 5.14 H new ATOM 167 N GLY A 25 -12.622 2.695 10.044 1.00 32.41 N ATOM 168 CA GLY A 25 -11.356 2.109 10.400 1.00 21.32 C ATOM 169 C GLY A 25 -11.508 0.928 11.324 1.00 33.21 C ATOM 170 O GLY A 25 -10.789 -0.069 11.187 1.00 23.24 O ATOM 0 H GLY A 25 -12.724 3.672 10.319 1.00 32.41 H new ATOM 0 HA2 GLY A 25 -10.837 1.794 9.495 1.00 21.32 H new ATOM 0 HA3 GLY A 25 -10.732 2.863 10.879 1.00 21.32 H new ATOM 174 N TYR A 26 -12.439 1.018 12.261 1.00 63.21 N ATOM 175 CA TYR A 26 -12.673 -0.076 13.161 1.00 61.33 C ATOM 176 C TYR A 26 -13.353 -1.221 12.441 1.00 54.32 C ATOM 177 O TYR A 26 -12.984 -2.340 12.640 1.00 41.21 O ATOM 178 CB TYR A 26 -13.477 0.336 14.400 1.00 44.22 C ATOM 179 CG TYR A 26 -13.615 -0.787 15.412 1.00 21.45 C ATOM 180 CD1 TYR A 26 -14.777 -1.548 15.499 1.00 54.30 C ATOM 181 CD2 TYR A 26 -12.565 -1.102 16.260 1.00 63.34 C ATOM 182 CE1 TYR A 26 -14.885 -2.581 16.404 1.00 51.52 C ATOM 183 CE2 TYR A 26 -12.669 -2.132 17.167 1.00 35.24 C ATOM 184 CZ TYR A 26 -13.829 -2.870 17.235 1.00 72.20 C ATOM 185 OH TYR A 26 -13.930 -3.906 18.147 1.00 34.11 O ATOM 0 H TYR A 26 -13.034 1.833 12.409 1.00 63.21 H new ATOM 0 HA TYR A 26 -11.697 -0.406 13.516 1.00 61.33 H new ATOM 0 HB2 TYR A 26 -12.992 1.189 14.875 1.00 44.22 H new ATOM 0 HB3 TYR A 26 -14.469 0.664 14.091 1.00 44.22 H new ATOM 0 HD1 TYR A 26 -15.608 -1.325 14.846 1.00 54.30 H new ATOM 0 HD2 TYR A 26 -11.650 -0.530 16.208 1.00 63.34 H new ATOM 0 HE1 TYR A 26 -15.795 -3.161 16.460 1.00 51.52 H new ATOM 0 HE2 TYR A 26 -11.843 -2.361 17.824 1.00 35.24 H new ATOM 0 HH TYR A 26 -13.095 -3.977 18.655 1.00 34.11 H new ATOM 195 N ASP A 27 -14.315 -0.917 11.571 1.00 72.31 N ATOM 196 CA ASP A 27 -15.065 -1.955 10.841 1.00 42.12 C ATOM 197 C ASP A 27 -14.124 -2.753 9.959 1.00 73.43 C ATOM 198 O ASP A 27 -14.136 -3.980 9.950 1.00 45.41 O ATOM 199 CB ASP A 27 -16.181 -1.311 10.004 1.00 43.20 C ATOM 200 CG ASP A 27 -17.031 -2.304 9.240 1.00 1.23 C ATOM 201 OD1 ASP A 27 -16.907 -2.390 8.018 1.00 70.32 O ATOM 202 OD2 ASP A 27 -17.871 -2.984 9.857 1.00 2.11 O ATOM 0 H ASP A 27 -14.598 0.038 11.350 1.00 72.31 H new ATOM 0 HA ASP A 27 -15.524 -2.635 11.559 1.00 42.12 H new ATOM 0 HB2 ASP A 27 -16.825 -0.729 10.663 1.00 43.20 H new ATOM 0 HB3 ASP A 27 -15.733 -0.612 9.297 1.00 43.20 H new ATOM 207 N PHE A 28 -13.257 -2.024 9.315 1.00 62.31 N ATOM 208 CA PHE A 28 -12.247 -2.538 8.424 1.00 12.33 C ATOM 209 C PHE A 28 -11.253 -3.399 9.197 1.00 33.32 C ATOM 210 O PHE A 28 -11.044 -4.567 8.874 1.00 55.03 O ATOM 211 CB PHE A 28 -11.596 -1.312 7.777 1.00 2.11 C ATOM 212 CG PHE A 28 -10.372 -1.484 6.934 1.00 33.41 C ATOM 213 CD1 PHE A 28 -10.455 -1.588 5.557 1.00 74.42 C ATOM 214 CD2 PHE A 28 -9.128 -1.443 7.520 1.00 54.34 C ATOM 215 CE1 PHE A 28 -9.319 -1.646 4.785 1.00 3.13 C ATOM 216 CE2 PHE A 28 -7.993 -1.518 6.758 1.00 23.32 C ATOM 217 CZ PHE A 28 -8.089 -1.614 5.382 1.00 62.32 C ATOM 0 H PHE A 28 -13.231 -1.008 9.399 1.00 62.31 H new ATOM 0 HA PHE A 28 -12.660 -3.189 7.653 1.00 12.33 H new ATOM 0 HB2 PHE A 28 -12.353 -0.829 7.159 1.00 2.11 H new ATOM 0 HB3 PHE A 28 -11.346 -0.615 8.577 1.00 2.11 H new ATOM 0 HD1 PHE A 28 -11.425 -1.624 5.083 1.00 74.42 H new ATOM 0 HD2 PHE A 28 -9.046 -1.351 8.593 1.00 54.34 H new ATOM 0 HE1 PHE A 28 -9.398 -1.717 3.710 1.00 3.13 H new ATOM 0 HE2 PHE A 28 -7.023 -1.502 7.232 1.00 23.32 H new ATOM 0 HZ PHE A 28 -7.194 -1.664 4.780 1.00 62.32 H new ATOM 227 N ILE A 29 -10.676 -2.841 10.233 1.00 55.44 N ATOM 228 CA ILE A 29 -9.720 -3.571 11.031 1.00 44.00 C ATOM 229 C ILE A 29 -10.366 -4.747 11.755 1.00 4.30 C ATOM 230 O ILE A 29 -9.746 -5.797 11.892 1.00 11.22 O ATOM 231 CB ILE A 29 -8.898 -2.636 11.973 1.00 54.34 C ATOM 232 CG1 ILE A 29 -7.810 -1.883 11.176 1.00 33.40 C ATOM 233 CG2 ILE A 29 -8.290 -3.359 13.184 1.00 53.21 C ATOM 234 CD1 ILE A 29 -6.836 -2.793 10.434 1.00 35.34 C ATOM 0 H ILE A 29 -10.851 -1.885 10.544 1.00 55.44 H new ATOM 0 HA ILE A 29 -8.991 -4.005 10.347 1.00 44.00 H new ATOM 0 HB ILE A 29 -9.607 -1.916 12.382 1.00 54.34 H new ATOM 0 HG12 ILE A 29 -8.294 -1.223 10.456 1.00 33.40 H new ATOM 0 HG13 ILE A 29 -7.247 -1.249 11.861 1.00 33.40 H new ATOM 0 HG21 ILE A 29 -7.734 -2.646 13.792 1.00 53.21 H new ATOM 0 HG22 ILE A 29 -9.087 -3.801 13.782 1.00 53.21 H new ATOM 0 HG23 ILE A 29 -7.617 -4.144 12.839 1.00 53.21 H new ATOM 0 HD11 ILE A 29 -6.105 -2.185 9.900 1.00 35.34 H new ATOM 0 HD12 ILE A 29 -6.322 -3.435 11.149 1.00 35.34 H new ATOM 0 HD13 ILE A 29 -7.385 -3.409 9.722 1.00 35.34 H new ATOM 246 N ASP A 30 -11.621 -4.596 12.152 1.00 20.52 N ATOM 247 CA ASP A 30 -12.354 -5.669 12.809 1.00 51.34 C ATOM 248 C ASP A 30 -12.511 -6.832 11.875 1.00 64.32 C ATOM 249 O ASP A 30 -12.155 -7.944 12.225 1.00 10.42 O ATOM 250 CB ASP A 30 -13.732 -5.211 13.313 1.00 32.42 C ATOM 251 CG ASP A 30 -14.538 -6.330 13.952 1.00 4.33 C ATOM 252 OD1 ASP A 30 -15.261 -7.042 13.239 1.00 3.22 O ATOM 253 OD2 ASP A 30 -14.490 -6.497 15.186 1.00 41.14 O ATOM 0 H ASP A 30 -12.156 -3.736 12.030 1.00 20.52 H new ATOM 0 HA ASP A 30 -11.773 -5.972 13.680 1.00 51.34 H new ATOM 0 HB2 ASP A 30 -13.598 -4.408 14.038 1.00 32.42 H new ATOM 0 HB3 ASP A 30 -14.297 -4.796 12.479 1.00 32.42 H new ATOM 258 N LEU A 31 -12.953 -6.573 10.649 1.00 13.14 N ATOM 259 CA LEU A 31 -13.175 -7.650 9.719 1.00 0.51 C ATOM 260 C LEU A 31 -11.854 -8.290 9.300 1.00 21.33 C ATOM 261 O LEU A 31 -11.787 -9.486 9.045 1.00 11.05 O ATOM 262 CB LEU A 31 -14.062 -7.205 8.534 1.00 43.15 C ATOM 263 CG LEU A 31 -13.564 -6.057 7.647 1.00 33.35 C ATOM 264 CD1 LEU A 31 -12.500 -6.510 6.673 1.00 2.24 C ATOM 265 CD2 LEU A 31 -14.714 -5.398 6.925 1.00 40.44 C ATOM 0 H LEU A 31 -13.159 -5.641 10.290 1.00 13.14 H new ATOM 0 HA LEU A 31 -13.742 -8.434 10.222 1.00 0.51 H new ATOM 0 HB2 LEU A 31 -14.224 -8.073 7.895 1.00 43.15 H new ATOM 0 HB3 LEU A 31 -15.034 -6.918 8.935 1.00 43.15 H new ATOM 0 HG LEU A 31 -13.102 -5.320 8.303 1.00 33.35 H new ATOM 0 HD11 LEU A 31 -12.178 -5.664 6.066 1.00 2.24 H new ATOM 0 HD12 LEU A 31 -11.647 -6.907 7.224 1.00 2.24 H new ATOM 0 HD13 LEU A 31 -12.907 -7.287 6.025 1.00 2.24 H new ATOM 0 HD21 LEU A 31 -14.336 -4.587 6.302 1.00 40.44 H new ATOM 0 HD22 LEU A 31 -15.218 -6.133 6.297 1.00 40.44 H new ATOM 0 HD23 LEU A 31 -15.419 -4.998 7.653 1.00 40.44 H new ATOM 277 N VAL A 32 -10.791 -7.486 9.285 1.00 13.55 N ATOM 278 CA VAL A 32 -9.466 -7.988 9.000 1.00 3.10 C ATOM 279 C VAL A 32 -8.950 -8.859 10.177 1.00 71.54 C ATOM 280 O VAL A 32 -8.160 -9.781 9.988 1.00 34.22 O ATOM 281 CB VAL A 32 -8.474 -6.817 8.669 1.00 64.55 C ATOM 282 CG1 VAL A 32 -7.042 -7.311 8.574 1.00 43.02 C ATOM 283 CG2 VAL A 32 -8.852 -6.166 7.345 1.00 14.33 C ATOM 0 H VAL A 32 -10.832 -6.483 9.469 1.00 13.55 H new ATOM 0 HA VAL A 32 -9.522 -8.621 8.114 1.00 3.10 H new ATOM 0 HB VAL A 32 -8.545 -6.093 9.480 1.00 64.55 H new ATOM 0 HG11 VAL A 32 -6.383 -6.474 8.344 1.00 43.02 H new ATOM 0 HG12 VAL A 32 -6.746 -7.755 9.525 1.00 43.02 H new ATOM 0 HG13 VAL A 32 -6.967 -8.060 7.785 1.00 43.02 H new ATOM 0 HG21 VAL A 32 -8.157 -5.355 7.127 1.00 14.33 H new ATOM 0 HG22 VAL A 32 -8.806 -6.908 6.548 1.00 14.33 H new ATOM 0 HG23 VAL A 32 -9.864 -5.768 7.411 1.00 14.33 H new ATOM 293 N THR A 33 -9.462 -8.619 11.372 1.00 50.21 N ATOM 294 CA THR A 33 -9.014 -9.358 12.528 1.00 74.11 C ATOM 295 C THR A 33 -10.111 -10.290 13.013 1.00 42.34 C ATOM 296 O THR A 33 -10.093 -10.777 14.158 1.00 25.52 O ATOM 297 CB THR A 33 -8.536 -8.411 13.664 1.00 11.31 C ATOM 298 OG1 THR A 33 -9.542 -7.430 13.956 1.00 22.50 O ATOM 299 CG2 THR A 33 -7.250 -7.703 13.263 1.00 43.23 C ATOM 0 H THR A 33 -10.183 -7.922 11.561 1.00 50.21 H new ATOM 0 HA THR A 33 -8.155 -9.960 12.233 1.00 74.11 H new ATOM 0 HB THR A 33 -8.353 -9.016 14.552 1.00 11.31 H new ATOM 0 HG1 THR A 33 -9.617 -6.805 13.205 1.00 22.50 H new ATOM 0 HG21 THR A 33 -6.930 -7.044 14.070 1.00 43.23 H new ATOM 0 HG22 THR A 33 -6.473 -8.442 13.069 1.00 43.23 H new ATOM 0 HG23 THR A 33 -7.424 -7.115 12.362 1.00 43.23 H new ATOM 307 N LYS A 34 -11.059 -10.559 12.114 1.00 53.20 N ATOM 308 CA LYS A 34 -12.175 -11.440 12.366 1.00 70.41 C ATOM 309 C LYS A 34 -11.676 -12.816 12.810 1.00 41.10 C ATOM 310 O LYS A 34 -10.625 -13.286 12.360 1.00 11.04 O ATOM 311 CB LYS A 34 -13.068 -11.551 11.108 1.00 10.35 C ATOM 312 CG LYS A 34 -14.333 -12.387 11.289 1.00 24.03 C ATOM 313 CD LYS A 34 -15.259 -11.807 12.351 1.00 74.31 C ATOM 314 CE LYS A 34 -15.945 -10.514 11.914 1.00 74.14 C ATOM 315 NZ LYS A 34 -16.915 -10.745 10.831 1.00 61.12 N ATOM 0 H LYS A 34 -11.063 -10.158 11.176 1.00 53.20 H new ATOM 0 HA LYS A 34 -12.778 -11.022 13.172 1.00 70.41 H new ATOM 0 HB2 LYS A 34 -13.355 -10.547 10.794 1.00 10.35 H new ATOM 0 HB3 LYS A 34 -12.478 -11.981 10.299 1.00 10.35 H new ATOM 0 HG2 LYS A 34 -14.865 -12.448 10.340 1.00 24.03 H new ATOM 0 HG3 LYS A 34 -14.057 -13.405 11.566 1.00 24.03 H new ATOM 0 HD2 LYS A 34 -16.019 -12.546 12.603 1.00 74.31 H new ATOM 0 HD3 LYS A 34 -14.686 -11.617 13.258 1.00 74.31 H new ATOM 0 HE2 LYS A 34 -16.454 -10.067 12.768 1.00 74.14 H new ATOM 0 HE3 LYS A 34 -15.193 -9.799 11.581 1.00 74.14 H new ATOM 0 HZ1 LYS A 34 -16.669 -10.153 10.012 1.00 61.12 H new ATOM 0 HZ2 LYS A 34 -16.893 -11.747 10.553 1.00 61.12 H new ATOM 0 HZ3 LYS A 34 -17.870 -10.499 11.162 1.00 61.12 H new ATOM 329 N SER A 35 -12.400 -13.408 13.730 1.00 63.23 N ATOM 330 CA SER A 35 -12.075 -14.691 14.270 1.00 63.21 C ATOM 331 C SER A 35 -12.125 -15.775 13.170 1.00 44.41 C ATOM 332 O SER A 35 -12.868 -15.632 12.186 1.00 33.25 O ATOM 333 CB SER A 35 -13.061 -14.981 15.404 1.00 2.52 C ATOM 334 OG SER A 35 -13.078 -13.884 16.330 1.00 35.43 O ATOM 0 H SER A 35 -13.245 -12.997 14.126 1.00 63.23 H new ATOM 0 HA SER A 35 -11.058 -14.698 14.662 1.00 63.21 H new ATOM 0 HB2 SER A 35 -14.060 -15.140 14.997 1.00 2.52 H new ATOM 0 HB3 SER A 35 -12.777 -15.899 15.919 1.00 2.52 H new ATOM 0 HG SER A 35 -13.712 -14.075 17.052 1.00 35.43 H new ATOM 340 N PRO A 36 -11.352 -16.886 13.352 1.00 4.44 N ATOM 341 CA PRO A 36 -11.250 -18.024 12.394 1.00 10.12 C ATOM 342 C PRO A 36 -12.592 -18.699 12.123 1.00 42.24 C ATOM 343 O PRO A 36 -12.687 -19.653 11.349 1.00 52.13 O ATOM 344 CB PRO A 36 -10.279 -18.998 13.073 1.00 64.25 C ATOM 345 CG PRO A 36 -10.269 -18.596 14.499 1.00 4.32 C ATOM 346 CD PRO A 36 -10.482 -17.115 14.511 1.00 41.21 C ATOM 0 HA PRO A 36 -10.911 -17.685 11.415 1.00 10.12 H new ATOM 0 HB2 PRO A 36 -10.609 -20.030 12.956 1.00 64.25 H new ATOM 0 HB3 PRO A 36 -9.282 -18.931 12.637 1.00 64.25 H new ATOM 0 HG2 PRO A 36 -11.055 -19.108 15.054 1.00 4.32 H new ATOM 0 HG3 PRO A 36 -9.322 -18.858 14.972 1.00 4.32 H new ATOM 0 HD2 PRO A 36 -10.952 -16.784 15.437 1.00 41.21 H new ATOM 0 HD3 PRO A 36 -9.541 -16.573 14.420 1.00 41.21 H new ATOM 354 N ASP A 37 -13.603 -18.264 12.849 1.00 32.32 N ATOM 355 CA ASP A 37 -14.985 -18.703 12.626 1.00 54.24 C ATOM 356 C ASP A 37 -15.423 -18.293 11.209 1.00 40.20 C ATOM 357 O ASP A 37 -16.248 -18.956 10.578 1.00 41.31 O ATOM 358 CB ASP A 37 -15.916 -18.073 13.663 1.00 64.24 C ATOM 359 CG ASP A 37 -17.368 -18.476 13.488 1.00 73.54 C ATOM 360 OD1 ASP A 37 -17.727 -19.630 13.837 1.00 42.34 O ATOM 361 OD2 ASP A 37 -18.191 -17.636 13.053 1.00 42.54 O ATOM 0 H ASP A 37 -13.500 -17.596 13.613 1.00 32.32 H new ATOM 0 HA ASP A 37 -15.039 -19.787 12.727 1.00 54.24 H new ATOM 0 HB2 ASP A 37 -15.584 -18.360 14.661 1.00 64.24 H new ATOM 0 HB3 ASP A 37 -15.837 -16.988 13.600 1.00 64.24 H new ATOM 366 N SER A 38 -14.816 -17.231 10.708 1.00 65.50 N ATOM 367 CA SER A 38 -15.002 -16.790 9.349 1.00 74.22 C ATOM 368 C SER A 38 -13.858 -17.406 8.553 1.00 10.32 C ATOM 369 O SER A 38 -12.743 -17.524 9.072 1.00 35.42 O ATOM 370 CB SER A 38 -14.942 -15.247 9.292 1.00 1.14 C ATOM 371 OG SER A 38 -15.293 -14.710 8.001 1.00 30.14 O ATOM 0 H SER A 38 -14.174 -16.648 11.245 1.00 65.50 H new ATOM 0 HA SER A 38 -15.968 -17.093 8.945 1.00 74.22 H new ATOM 0 HB2 SER A 38 -15.616 -14.836 10.044 1.00 1.14 H new ATOM 0 HB3 SER A 38 -13.936 -14.920 9.553 1.00 1.14 H new ATOM 0 HG SER A 38 -15.511 -13.759 8.091 1.00 30.14 H new ATOM 377 N VAL A 39 -14.122 -17.829 7.338 1.00 44.11 N ATOM 378 CA VAL A 39 -13.098 -18.486 6.545 1.00 35.21 C ATOM 379 C VAL A 39 -11.999 -17.525 6.130 1.00 32.34 C ATOM 380 O VAL A 39 -10.801 -17.836 6.265 1.00 2.04 O ATOM 381 CB VAL A 39 -13.677 -19.180 5.290 1.00 32.24 C ATOM 382 CG1 VAL A 39 -12.567 -19.813 4.441 1.00 20.32 C ATOM 383 CG2 VAL A 39 -14.700 -20.225 5.683 1.00 4.43 C ATOM 0 H VAL A 39 -15.027 -17.733 6.877 1.00 44.11 H new ATOM 0 HA VAL A 39 -12.671 -19.252 7.193 1.00 35.21 H new ATOM 0 HB VAL A 39 -14.169 -18.417 4.687 1.00 32.24 H new ATOM 0 HG11 VAL A 39 -13.007 -20.293 3.566 1.00 20.32 H new ATOM 0 HG12 VAL A 39 -11.870 -19.040 4.119 1.00 20.32 H new ATOM 0 HG13 VAL A 39 -12.035 -20.557 5.034 1.00 20.32 H new ATOM 0 HG21 VAL A 39 -15.096 -20.702 4.786 1.00 4.43 H new ATOM 0 HG22 VAL A 39 -14.228 -20.977 6.316 1.00 4.43 H new ATOM 0 HG23 VAL A 39 -15.514 -19.750 6.230 1.00 4.43 H new ATOM 393 N ASN A 40 -12.375 -16.367 5.655 1.00 32.10 N ATOM 394 CA ASN A 40 -11.391 -15.469 5.132 1.00 21.42 C ATOM 395 C ASN A 40 -11.730 -14.000 5.408 1.00 23.03 C ATOM 396 O ASN A 40 -12.750 -13.482 4.937 1.00 43.21 O ATOM 397 CB ASN A 40 -11.218 -15.741 3.639 1.00 64.34 C ATOM 398 CG ASN A 40 -10.129 -14.924 3.070 1.00 64.24 C ATOM 399 OD1 ASN A 40 -10.362 -13.857 2.566 1.00 24.13 O ATOM 400 ND2 ASN A 40 -8.937 -15.421 3.159 1.00 54.23 N ATOM 0 H ASN A 40 -13.338 -16.031 5.621 1.00 32.10 H new ATOM 0 HA ASN A 40 -10.446 -15.651 5.645 1.00 21.42 H new ATOM 0 HB2 ASN A 40 -11.003 -16.798 3.482 1.00 64.34 H new ATOM 0 HB3 ASN A 40 -12.150 -15.524 3.117 1.00 64.34 H new ATOM 0 HD21 ASN A 40 -8.139 -14.902 2.791 1.00 54.23 H new ATOM 0 HD22 ASN A 40 -8.795 -16.331 3.597 1.00 54.23 H new ATOM 407 N SER A 41 -10.852 -13.336 6.132 1.00 62.40 N ATOM 408 CA SER A 41 -11.028 -11.954 6.546 1.00 73.43 C ATOM 409 C SER A 41 -11.058 -11.016 5.322 1.00 34.21 C ATOM 410 O SER A 41 -11.831 -10.034 5.263 1.00 51.15 O ATOM 411 CB SER A 41 -9.869 -11.594 7.479 1.00 61.53 C ATOM 412 OG SER A 41 -9.751 -12.560 8.530 1.00 74.10 O ATOM 0 H SER A 41 -9.977 -13.748 6.457 1.00 62.40 H new ATOM 0 HA SER A 41 -11.979 -11.835 7.065 1.00 73.43 H new ATOM 0 HB2 SER A 41 -8.939 -11.549 6.912 1.00 61.53 H new ATOM 0 HB3 SER A 41 -10.031 -10.604 7.904 1.00 61.53 H new ATOM 0 HG SER A 41 -9.005 -12.316 9.116 1.00 74.10 H new ATOM 418 N GLU A 42 -10.259 -11.357 4.338 1.00 40.22 N ATOM 419 CA GLU A 42 -10.149 -10.623 3.103 1.00 70.23 C ATOM 420 C GLU A 42 -11.455 -10.697 2.321 1.00 70.13 C ATOM 421 O GLU A 42 -11.725 -9.842 1.484 1.00 75.30 O ATOM 422 CB GLU A 42 -8.987 -11.129 2.215 1.00 31.02 C ATOM 423 CG GLU A 42 -7.630 -11.268 2.903 1.00 12.24 C ATOM 424 CD GLU A 42 -7.523 -12.519 3.752 1.00 33.34 C ATOM 425 OE1 GLU A 42 -7.019 -13.531 3.259 1.00 41.34 O ATOM 426 OE2 GLU A 42 -7.976 -12.511 4.904 1.00 60.31 O ATOM 0 H GLU A 42 -9.652 -12.176 4.378 1.00 40.22 H new ATOM 0 HA GLU A 42 -9.936 -9.588 3.372 1.00 70.23 H new ATOM 0 HB2 GLU A 42 -9.265 -12.100 1.805 1.00 31.02 H new ATOM 0 HB3 GLU A 42 -8.877 -10.447 1.372 1.00 31.02 H new ATOM 0 HG2 GLU A 42 -6.845 -11.280 2.147 1.00 12.24 H new ATOM 0 HG3 GLU A 42 -7.455 -10.394 3.530 1.00 12.24 H new ATOM 433 N HIS A 43 -12.283 -11.705 2.612 1.00 2.24 N ATOM 434 CA HIS A 43 -13.562 -11.843 1.942 1.00 42.41 C ATOM 435 C HIS A 43 -14.446 -10.703 2.403 1.00 1.54 C ATOM 436 O HIS A 43 -15.105 -10.022 1.603 1.00 23.03 O ATOM 437 CB HIS A 43 -14.206 -13.205 2.282 1.00 71.51 C ATOM 438 CG HIS A 43 -15.416 -13.571 1.464 1.00 52.52 C ATOM 439 ND1 HIS A 43 -15.613 -14.814 0.915 1.00 30.35 N ATOM 440 CD2 HIS A 43 -16.512 -12.845 1.134 1.00 44.32 C ATOM 441 CE1 HIS A 43 -16.784 -14.808 0.285 1.00 65.55 C ATOM 442 NE2 HIS A 43 -17.376 -13.628 0.387 1.00 72.22 N ATOM 0 H HIS A 43 -12.085 -12.428 3.303 1.00 2.24 H new ATOM 0 HA HIS A 43 -13.432 -11.806 0.860 1.00 42.41 H new ATOM 0 HB2 HIS A 43 -13.454 -13.984 2.156 1.00 71.51 H new ATOM 0 HB3 HIS A 43 -14.488 -13.201 3.335 1.00 71.51 H new ATOM 0 HD2 HIS A 43 -16.685 -11.815 1.411 1.00 44.32 H new ATOM 0 HE1 HIS A 43 -17.198 -15.655 -0.241 1.00 65.55 H new ATOM 0 HE2 HIS A 43 -18.278 -13.354 -0.002 1.00 72.22 H new ATOM 450 N GLU A 44 -14.391 -10.457 3.689 1.00 54.22 N ATOM 451 CA GLU A 44 -15.144 -9.410 4.295 1.00 30.11 C ATOM 452 C GLU A 44 -14.578 -8.082 3.879 1.00 54.03 C ATOM 453 O GLU A 44 -15.303 -7.117 3.713 1.00 2.20 O ATOM 454 CB GLU A 44 -15.143 -9.571 5.798 1.00 42.04 C ATOM 455 CG GLU A 44 -15.734 -10.889 6.226 1.00 15.55 C ATOM 456 CD GLU A 44 -15.898 -11.010 7.709 1.00 34.04 C ATOM 457 OE1 GLU A 44 -15.475 -12.022 8.290 1.00 60.13 O ATOM 458 OE2 GLU A 44 -16.498 -10.108 8.326 1.00 74.15 O ATOM 0 H GLU A 44 -13.814 -10.988 4.342 1.00 54.22 H new ATOM 0 HA GLU A 44 -16.180 -9.459 3.961 1.00 30.11 H new ATOM 0 HB2 GLU A 44 -14.121 -9.494 6.170 1.00 42.04 H new ATOM 0 HB3 GLU A 44 -15.709 -8.756 6.250 1.00 42.04 H new ATOM 0 HG2 GLU A 44 -16.705 -11.016 5.748 1.00 15.55 H new ATOM 0 HG3 GLU A 44 -15.096 -11.698 5.871 1.00 15.55 H new ATOM 465 N LEU A 45 -13.276 -8.049 3.665 1.00 63.42 N ATOM 466 CA LEU A 45 -12.630 -6.859 3.195 1.00 63.04 C ATOM 467 C LEU A 45 -13.059 -6.541 1.760 1.00 5.42 C ATOM 468 O LEU A 45 -13.318 -5.386 1.423 1.00 43.41 O ATOM 469 CB LEU A 45 -11.118 -6.985 3.292 1.00 4.24 C ATOM 470 CG LEU A 45 -10.358 -5.727 2.940 1.00 11.41 C ATOM 471 CD1 LEU A 45 -10.740 -4.607 3.876 1.00 15.02 C ATOM 472 CD2 LEU A 45 -8.860 -5.965 2.938 1.00 34.01 C ATOM 0 H LEU A 45 -12.651 -8.841 3.813 1.00 63.42 H new ATOM 0 HA LEU A 45 -12.939 -6.032 3.834 1.00 63.04 H new ATOM 0 HB2 LEU A 45 -10.856 -7.280 4.308 1.00 4.24 H new ATOM 0 HB3 LEU A 45 -10.790 -7.788 2.632 1.00 4.24 H new ATOM 0 HG LEU A 45 -10.633 -5.433 1.927 1.00 11.41 H new ATOM 0 HD11 LEU A 45 -10.185 -3.707 3.612 1.00 15.02 H new ATOM 0 HD12 LEU A 45 -11.809 -4.412 3.793 1.00 15.02 H new ATOM 0 HD13 LEU A 45 -10.502 -4.892 4.901 1.00 15.02 H new ATOM 0 HD21 LEU A 45 -8.345 -5.039 2.681 1.00 34.01 H new ATOM 0 HD22 LEU A 45 -8.543 -6.294 3.927 1.00 34.01 H new ATOM 0 HD23 LEU A 45 -8.615 -6.733 2.204 1.00 34.01 H new ATOM 484 N ALA A 46 -13.162 -7.572 0.934 1.00 74.20 N ATOM 485 CA ALA A 46 -13.623 -7.428 -0.443 1.00 74.31 C ATOM 486 C ALA A 46 -15.056 -6.928 -0.459 1.00 61.32 C ATOM 487 O ALA A 46 -15.448 -6.118 -1.300 1.00 51.42 O ATOM 488 CB ALA A 46 -13.511 -8.751 -1.193 1.00 65.52 C ATOM 0 H ALA A 46 -12.930 -8.530 1.196 1.00 74.20 H new ATOM 0 HA ALA A 46 -12.988 -6.700 -0.948 1.00 74.31 H new ATOM 0 HB1 ALA A 46 -13.860 -8.619 -2.217 1.00 65.52 H new ATOM 0 HB2 ALA A 46 -12.471 -9.076 -1.203 1.00 65.52 H new ATOM 0 HB3 ALA A 46 -14.122 -9.504 -0.695 1.00 65.52 H new ATOM 494 N HIS A 47 -15.815 -7.399 0.493 1.00 61.33 N ATOM 495 CA HIS A 47 -17.208 -7.002 0.656 1.00 45.14 C ATOM 496 C HIS A 47 -17.272 -5.533 1.122 1.00 72.32 C ATOM 497 O HIS A 47 -18.129 -4.758 0.672 1.00 52.00 O ATOM 498 CB HIS A 47 -17.893 -7.945 1.677 1.00 44.24 C ATOM 499 CG HIS A 47 -19.386 -7.780 1.812 1.00 24.44 C ATOM 500 ND1 HIS A 47 -20.303 -8.707 1.362 1.00 52.32 N ATOM 501 CD2 HIS A 47 -20.112 -6.792 2.391 1.00 13.20 C ATOM 502 CE1 HIS A 47 -21.522 -8.265 1.669 1.00 21.21 C ATOM 503 NE2 HIS A 47 -21.463 -7.103 2.297 1.00 50.34 N ATOM 0 H HIS A 47 -15.493 -8.073 1.187 1.00 61.33 H new ATOM 0 HA HIS A 47 -17.736 -7.082 -0.294 1.00 45.14 H new ATOM 0 HB2 HIS A 47 -17.683 -8.976 1.391 1.00 44.24 H new ATOM 0 HB3 HIS A 47 -17.437 -7.786 2.654 1.00 44.24 H new ATOM 0 HD2 HIS A 47 -19.705 -5.904 2.852 1.00 13.20 H new ATOM 0 HE1 HIS A 47 -22.438 -8.787 1.435 1.00 21.21 H new ATOM 0 HE2 HIS A 47 -22.247 -6.549 2.641 1.00 50.34 H new ATOM 511 N PHE A 48 -16.328 -5.163 1.981 1.00 74.12 N ATOM 512 CA PHE A 48 -16.219 -3.834 2.550 1.00 3.11 C ATOM 513 C PHE A 48 -15.898 -2.813 1.473 1.00 64.53 C ATOM 514 O PHE A 48 -16.475 -1.728 1.431 1.00 42.04 O ATOM 515 CB PHE A 48 -15.107 -3.856 3.616 1.00 2.14 C ATOM 516 CG PHE A 48 -14.691 -2.521 4.157 1.00 15.35 C ATOM 517 CD1 PHE A 48 -15.301 -1.986 5.266 1.00 71.12 C ATOM 518 CD2 PHE A 48 -13.671 -1.813 3.551 1.00 71.14 C ATOM 519 CE1 PHE A 48 -14.904 -0.761 5.763 1.00 44.12 C ATOM 520 CE2 PHE A 48 -13.271 -0.594 4.036 1.00 44.14 C ATOM 521 CZ PHE A 48 -13.886 -0.066 5.143 1.00 72.31 C ATOM 0 H PHE A 48 -15.601 -5.800 2.306 1.00 74.12 H new ATOM 0 HA PHE A 48 -17.168 -3.548 3.003 1.00 3.11 H new ATOM 0 HB2 PHE A 48 -15.441 -4.476 4.448 1.00 2.14 H new ATOM 0 HB3 PHE A 48 -14.230 -4.342 3.188 1.00 2.14 H new ATOM 0 HD1 PHE A 48 -16.098 -2.529 5.753 1.00 71.12 H new ATOM 0 HD2 PHE A 48 -13.181 -2.226 2.682 1.00 71.14 H new ATOM 0 HE1 PHE A 48 -15.389 -0.348 6.635 1.00 44.12 H new ATOM 0 HE2 PHE A 48 -12.475 -0.052 3.548 1.00 44.14 H new ATOM 0 HZ PHE A 48 -13.573 0.893 5.529 1.00 72.31 H new ATOM 531 N LEU A 49 -14.984 -3.172 0.597 1.00 40.33 N ATOM 532 CA LEU A 49 -14.538 -2.277 -0.450 1.00 61.52 C ATOM 533 C LEU A 49 -15.520 -2.260 -1.617 1.00 33.32 C ATOM 534 O LEU A 49 -15.312 -1.549 -2.588 1.00 22.30 O ATOM 535 CB LEU A 49 -13.110 -2.653 -0.901 1.00 54.41 C ATOM 536 CG LEU A 49 -12.937 -4.014 -1.589 1.00 13.42 C ATOM 537 CD1 LEU A 49 -13.269 -3.943 -3.072 1.00 12.52 C ATOM 538 CD2 LEU A 49 -11.554 -4.565 -1.357 1.00 24.51 C ATOM 0 H LEU A 49 -14.532 -4.086 0.590 1.00 40.33 H new ATOM 0 HA LEU A 49 -14.506 -1.263 -0.052 1.00 61.52 H new ATOM 0 HB2 LEU A 49 -12.755 -1.880 -1.583 1.00 54.41 H new ATOM 0 HB3 LEU A 49 -12.460 -2.630 -0.026 1.00 54.41 H new ATOM 0 HG LEU A 49 -13.650 -4.703 -1.137 1.00 13.42 H new ATOM 0 HD11 LEU A 49 -13.134 -4.926 -3.523 1.00 12.52 H new ATOM 0 HD12 LEU A 49 -14.304 -3.625 -3.198 1.00 12.52 H new ATOM 0 HD13 LEU A 49 -12.607 -3.227 -3.559 1.00 12.52 H new ATOM 0 HD21 LEU A 49 -11.458 -5.530 -1.855 1.00 24.51 H new ATOM 0 HD22 LEU A 49 -10.814 -3.873 -1.760 1.00 24.51 H new ATOM 0 HD23 LEU A 49 -11.387 -4.691 -0.287 1.00 24.51 H new ATOM 550 N GLY A 50 -16.561 -3.073 -1.522 1.00 10.05 N ATOM 551 CA GLY A 50 -17.611 -3.108 -2.537 1.00 23.42 C ATOM 552 C GLY A 50 -18.140 -1.702 -2.863 1.00 70.32 C ATOM 553 O GLY A 50 -17.976 -1.223 -3.985 1.00 73.42 O ATOM 0 H GLY A 50 -16.704 -3.722 -0.749 1.00 10.05 H new ATOM 0 HA2 GLY A 50 -17.223 -3.569 -3.445 1.00 23.42 H new ATOM 0 HA3 GLY A 50 -18.433 -3.733 -2.188 1.00 23.42 H new ATOM 557 N PRO A 51 -18.737 -0.991 -1.895 1.00 31.53 N ATOM 558 CA PRO A 51 -19.225 0.370 -2.109 1.00 11.44 C ATOM 559 C PRO A 51 -18.092 1.399 -2.104 1.00 5.22 C ATOM 560 O PRO A 51 -18.307 2.585 -2.381 1.00 34.41 O ATOM 561 CB PRO A 51 -20.157 0.616 -0.913 1.00 63.25 C ATOM 562 CG PRO A 51 -20.295 -0.706 -0.231 1.00 64.40 C ATOM 563 CD PRO A 51 -19.045 -1.450 -0.532 1.00 73.11 C ATOM 0 HA PRO A 51 -19.713 0.473 -3.078 1.00 11.44 H new ATOM 0 HB2 PRO A 51 -19.739 1.363 -0.238 1.00 63.25 H new ATOM 0 HB3 PRO A 51 -21.126 0.990 -1.242 1.00 63.25 H new ATOM 0 HG2 PRO A 51 -20.425 -0.580 0.844 1.00 64.40 H new ATOM 0 HG3 PRO A 51 -21.169 -1.245 -0.597 1.00 64.40 H new ATOM 0 HD2 PRO A 51 -18.247 -1.208 0.170 1.00 73.11 H new ATOM 0 HD3 PRO A 51 -19.192 -2.529 -0.488 1.00 73.11 H new ATOM 571 N HIS A 52 -16.891 0.955 -1.803 1.00 1.02 N ATOM 572 CA HIS A 52 -15.782 1.865 -1.621 1.00 60.52 C ATOM 573 C HIS A 52 -14.641 1.479 -2.550 1.00 5.50 C ATOM 574 O HIS A 52 -13.486 1.606 -2.185 1.00 3.24 O ATOM 575 CB HIS A 52 -15.313 1.840 -0.143 1.00 41.32 C ATOM 576 CG HIS A 52 -16.399 2.160 0.867 1.00 33.43 C ATOM 577 ND1 HIS A 52 -16.872 3.430 1.131 1.00 1.00 N ATOM 578 CD2 HIS A 52 -17.121 1.330 1.661 1.00 41.21 C ATOM 579 CE1 HIS A 52 -17.837 3.333 2.045 1.00 55.32 C ATOM 580 NE2 HIS A 52 -18.032 2.078 2.404 1.00 51.52 N ATOM 0 H HIS A 52 -16.658 -0.030 -1.679 1.00 1.02 H new ATOM 0 HA HIS A 52 -16.104 2.878 -1.865 1.00 60.52 H new ATOM 0 HB2 HIS A 52 -14.907 0.853 0.079 1.00 41.32 H new ATOM 0 HB3 HIS A 52 -14.499 2.555 -0.021 1.00 41.32 H new ATOM 0 HD1 HIS A 52 -16.540 4.293 0.701 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -17.007 0.257 1.710 1.00 41.21 H new ATOM 0 HE1 HIS A 52 -18.388 4.173 2.441 1.00 55.32 H new ATOM 588 N ASP A 53 -15.009 1.052 -3.776 1.00 33.05 N ATOM 589 CA ASP A 53 -14.092 0.611 -4.826 1.00 33.31 C ATOM 590 C ASP A 53 -13.017 1.642 -5.158 1.00 33.20 C ATOM 591 O ASP A 53 -13.300 2.678 -5.788 1.00 62.32 O ATOM 592 CB ASP A 53 -14.903 0.353 -6.097 1.00 50.34 C ATOM 593 CG ASP A 53 -14.046 -0.090 -7.246 1.00 63.23 C ATOM 594 OD1 ASP A 53 -13.455 -1.151 -7.158 1.00 1.23 O ATOM 595 OD2 ASP A 53 -13.973 0.620 -8.268 1.00 54.02 O ATOM 0 H ASP A 53 -15.987 1.007 -4.063 1.00 33.05 H new ATOM 0 HA ASP A 53 -13.590 -0.285 -4.460 1.00 33.31 H new ATOM 0 HB2 ASP A 53 -15.656 -0.409 -5.895 1.00 50.34 H new ATOM 0 HB3 ASP A 53 -15.436 1.262 -6.375 1.00 50.34 H new ATOM 600 N PRO A 54 -11.779 1.383 -4.721 1.00 54.42 N ATOM 601 CA PRO A 54 -10.651 2.228 -4.976 1.00 34.30 C ATOM 602 C PRO A 54 -9.703 1.571 -5.999 1.00 74.53 C ATOM 603 O PRO A 54 -10.109 0.707 -6.782 1.00 0.41 O ATOM 604 CB PRO A 54 -10.003 2.229 -3.592 1.00 22.25 C ATOM 605 CG PRO A 54 -10.211 0.823 -3.078 1.00 12.12 C ATOM 606 CD PRO A 54 -11.367 0.240 -3.875 1.00 73.55 C ATOM 0 HA PRO A 54 -10.894 3.210 -5.382 1.00 34.30 H new ATOM 0 HB2 PRO A 54 -8.943 2.478 -3.650 1.00 22.25 H new ATOM 0 HB3 PRO A 54 -10.468 2.965 -2.936 1.00 22.25 H new ATOM 0 HG2 PRO A 54 -9.309 0.225 -3.208 1.00 12.12 H new ATOM 0 HG3 PRO A 54 -10.438 0.829 -2.012 1.00 12.12 H new ATOM 0 HD2 PRO A 54 -11.057 -0.617 -4.473 1.00 73.55 H new ATOM 0 HD3 PRO A 54 -12.176 -0.099 -3.228 1.00 73.55 H new ATOM 614 N GLU A 55 -8.467 1.978 -5.992 1.00 52.53 N ATOM 615 CA GLU A 55 -7.471 1.382 -6.839 1.00 12.33 C ATOM 616 C GLU A 55 -6.685 0.391 -6.032 1.00 34.21 C ATOM 617 O GLU A 55 -6.136 0.733 -4.980 1.00 10.20 O ATOM 618 CB GLU A 55 -6.567 2.448 -7.403 1.00 11.22 C ATOM 619 CG GLU A 55 -7.304 3.457 -8.240 1.00 42.31 C ATOM 620 CD GLU A 55 -6.413 4.518 -8.783 1.00 23.43 C ATOM 621 OE1 GLU A 55 -5.988 4.408 -9.948 1.00 20.12 O ATOM 622 OE2 GLU A 55 -6.117 5.494 -8.063 1.00 31.23 O ATOM 0 H GLU A 55 -8.119 2.732 -5.400 1.00 52.53 H new ATOM 0 HA GLU A 55 -7.949 0.870 -7.674 1.00 12.33 H new ATOM 0 HB2 GLU A 55 -6.064 2.961 -6.584 1.00 11.22 H new ATOM 0 HB3 GLU A 55 -5.792 1.977 -8.008 1.00 11.22 H new ATOM 0 HG2 GLU A 55 -7.798 2.946 -9.066 1.00 42.31 H new ATOM 0 HG3 GLU A 55 -8.087 3.919 -7.638 1.00 42.31 H new ATOM 629 N ILE A 56 -6.653 -0.823 -6.488 1.00 61.22 N ATOM 630 CA ILE A 56 -5.979 -1.870 -5.786 1.00 45.42 C ATOM 631 C ILE A 56 -4.690 -2.165 -6.519 1.00 23.42 C ATOM 632 O ILE A 56 -4.708 -2.684 -7.578 1.00 52.13 O ATOM 633 CB ILE A 56 -6.859 -3.138 -5.752 1.00 52.03 C ATOM 634 CG1 ILE A 56 -8.227 -2.814 -5.113 1.00 10.44 C ATOM 635 CG2 ILE A 56 -6.143 -4.213 -4.961 1.00 11.32 C ATOM 636 CD1 ILE A 56 -9.330 -3.816 -5.412 1.00 25.13 C ATOM 0 H ILE A 56 -7.095 -1.116 -7.359 1.00 61.22 H new ATOM 0 HA ILE A 56 -5.776 -1.564 -4.760 1.00 45.42 H new ATOM 0 HB ILE A 56 -7.033 -3.495 -6.767 1.00 52.03 H new ATOM 0 HG12 ILE A 56 -8.100 -2.748 -4.032 1.00 10.44 H new ATOM 0 HG13 ILE A 56 -8.548 -1.830 -5.457 1.00 10.44 H new ATOM 0 HG21 ILE A 56 -6.757 -5.113 -4.931 1.00 11.32 H new ATOM 0 HG22 ILE A 56 -5.189 -4.440 -5.437 1.00 11.32 H new ATOM 0 HG23 ILE A 56 -5.967 -3.860 -3.945 1.00 11.32 H new ATOM 0 HD11 ILE A 56 -10.250 -3.502 -4.920 1.00 25.13 H new ATOM 0 HD12 ILE A 56 -9.493 -3.867 -6.489 1.00 25.13 H new ATOM 0 HD13 ILE A 56 -9.039 -4.799 -5.042 1.00 25.13 H new ATOM 648 N TYR A 57 -3.604 -1.797 -5.974 1.00 3.15 N ATOM 649 CA TYR A 57 -2.343 -1.981 -6.644 1.00 72.42 C ATOM 650 C TYR A 57 -1.685 -3.228 -6.170 1.00 71.04 C ATOM 651 O TYR A 57 -1.720 -3.531 -4.998 1.00 75.23 O ATOM 652 CB TYR A 57 -1.418 -0.789 -6.397 1.00 33.05 C ATOM 653 CG TYR A 57 -1.932 0.521 -6.938 1.00 20.33 C ATOM 654 CD1 TYR A 57 -1.637 0.922 -8.229 1.00 55.04 C ATOM 655 CD2 TYR A 57 -2.711 1.357 -6.156 1.00 1.34 C ATOM 656 CE1 TYR A 57 -2.103 2.123 -8.722 1.00 51.13 C ATOM 657 CE2 TYR A 57 -3.180 2.551 -6.645 1.00 45.45 C ATOM 658 CZ TYR A 57 -2.873 2.930 -7.922 1.00 22.01 C ATOM 659 OH TYR A 57 -3.331 4.133 -8.396 1.00 71.44 O ATOM 0 H TYR A 57 -3.540 -1.359 -5.055 1.00 3.15 H new ATOM 0 HA TYR A 57 -2.537 -2.059 -7.714 1.00 72.42 H new ATOM 0 HB2 TYR A 57 -1.256 -0.687 -5.324 1.00 33.05 H new ATOM 0 HB3 TYR A 57 -0.448 -0.998 -6.847 1.00 33.05 H new ATOM 0 HD1 TYR A 57 -1.033 0.286 -8.859 1.00 55.04 H new ATOM 0 HD2 TYR A 57 -2.954 1.065 -5.145 1.00 1.34 H new ATOM 0 HE1 TYR A 57 -1.864 2.426 -9.731 1.00 51.13 H new ATOM 0 HE2 TYR A 57 -3.790 3.189 -6.023 1.00 45.45 H new ATOM 0 HH TYR A 57 -3.861 4.578 -7.702 1.00 71.44 H new ATOM 669 N VAL A 58 -1.107 -3.959 -7.066 1.00 4.03 N ATOM 670 CA VAL A 58 -0.348 -5.100 -6.685 1.00 71.13 C ATOM 671 C VAL A 58 1.000 -4.979 -7.348 1.00 74.10 C ATOM 672 O VAL A 58 1.088 -4.813 -8.564 1.00 35.41 O ATOM 673 CB VAL A 58 -1.048 -6.478 -7.011 1.00 72.20 C ATOM 674 CG1 VAL A 58 -0.930 -6.907 -8.462 1.00 13.45 C ATOM 675 CG2 VAL A 58 -0.571 -7.574 -6.080 1.00 44.51 C ATOM 0 H VAL A 58 -1.147 -3.784 -8.070 1.00 4.03 H new ATOM 0 HA VAL A 58 -0.250 -5.112 -5.599 1.00 71.13 H new ATOM 0 HB VAL A 58 -2.111 -6.308 -6.839 1.00 72.20 H new ATOM 0 HG11 VAL A 58 -1.437 -7.862 -8.601 1.00 13.45 H new ATOM 0 HG12 VAL A 58 -1.391 -6.155 -9.102 1.00 13.45 H new ATOM 0 HG13 VAL A 58 0.122 -7.013 -8.726 1.00 13.45 H new ATOM 0 HG21 VAL A 58 -1.072 -8.509 -6.331 1.00 44.51 H new ATOM 0 HG22 VAL A 58 0.506 -7.700 -6.188 1.00 44.51 H new ATOM 0 HG23 VAL A 58 -0.804 -7.303 -5.050 1.00 44.51 H new ATOM 685 N ASN A 59 2.031 -4.893 -6.534 1.00 63.32 N ATOM 686 CA ASN A 59 3.430 -4.812 -7.001 1.00 13.14 C ATOM 687 C ASN A 59 3.664 -3.569 -7.867 1.00 3.12 C ATOM 688 O ASN A 59 4.633 -3.486 -8.616 1.00 74.10 O ATOM 689 CB ASN A 59 3.783 -6.097 -7.764 1.00 12.01 C ATOM 690 CG ASN A 59 3.701 -7.317 -6.871 1.00 72.14 C ATOM 691 OD1 ASN A 59 4.087 -7.265 -5.684 1.00 30.14 O ATOM 692 ND2 ASN A 59 3.118 -8.370 -7.376 1.00 32.45 N ATOM 0 H ASN A 59 1.938 -4.876 -5.518 1.00 63.32 H new ATOM 0 HA ASN A 59 4.086 -4.718 -6.135 1.00 13.14 H new ATOM 0 HB2 ASN A 59 3.104 -6.217 -8.608 1.00 12.01 H new ATOM 0 HB3 ASN A 59 4.790 -6.012 -8.174 1.00 12.01 H new ATOM 0 HD21 ASN A 59 2.962 -9.194 -6.796 1.00 32.45 H new ATOM 0 HD22 ASN A 59 2.819 -8.369 -8.351 1.00 32.45 H new ATOM 699 N GLY A 60 2.789 -2.590 -7.717 1.00 11.12 N ATOM 700 CA GLY A 60 2.900 -1.365 -8.470 1.00 61.04 C ATOM 701 C GLY A 60 1.977 -1.329 -9.681 1.00 45.40 C ATOM 702 O GLY A 60 1.974 -0.363 -10.427 1.00 10.35 O ATOM 0 H GLY A 60 1.995 -2.625 -7.078 1.00 11.12 H new ATOM 0 HA2 GLY A 60 2.670 -0.522 -7.819 1.00 61.04 H new ATOM 0 HA3 GLY A 60 3.931 -1.240 -8.801 1.00 61.04 H new ATOM 706 N LYS A 61 1.196 -2.371 -9.879 1.00 41.02 N ATOM 707 CA LYS A 61 0.279 -2.419 -10.989 1.00 63.13 C ATOM 708 C LYS A 61 -1.131 -2.283 -10.508 1.00 45.51 C ATOM 709 O LYS A 61 -1.542 -2.976 -9.572 1.00 13.34 O ATOM 710 CB LYS A 61 0.465 -3.686 -11.811 1.00 12.42 C ATOM 711 CG LYS A 61 1.770 -3.740 -12.582 1.00 31.30 C ATOM 712 CD LYS A 61 1.840 -2.628 -13.624 1.00 31.23 C ATOM 713 CE LYS A 61 3.099 -2.723 -14.466 1.00 3.42 C ATOM 714 NZ LYS A 61 3.228 -4.043 -15.120 1.00 55.34 N ATOM 0 H LYS A 61 1.181 -3.197 -9.281 1.00 41.02 H new ATOM 0 HA LYS A 61 0.498 -1.577 -11.645 1.00 63.13 H new ATOM 0 HB2 LYS A 61 0.413 -4.548 -11.146 1.00 12.42 H new ATOM 0 HB3 LYS A 61 -0.363 -3.775 -12.514 1.00 12.42 H new ATOM 0 HG2 LYS A 61 2.608 -3.648 -11.891 1.00 31.30 H new ATOM 0 HG3 LYS A 61 1.866 -4.709 -13.073 1.00 31.30 H new ATOM 0 HD2 LYS A 61 0.965 -2.681 -14.272 1.00 31.23 H new ATOM 0 HD3 LYS A 61 1.809 -1.660 -13.125 1.00 31.23 H new ATOM 0 HE2 LYS A 61 3.087 -1.941 -15.226 1.00 3.42 H new ATOM 0 HE3 LYS A 61 3.971 -2.543 -13.837 1.00 3.42 H new ATOM 0 HZ1 LYS A 61 3.919 -3.981 -15.894 1.00 55.34 H new ATOM 0 HZ2 LYS A 61 3.550 -4.745 -14.424 1.00 55.34 H new ATOM 0 HZ3 LYS A 61 2.305 -4.333 -15.502 1.00 55.34 H new ATOM 728 N ILE A 62 -1.857 -1.401 -11.137 1.00 22.40 N ATOM 729 CA ILE A 62 -3.202 -1.081 -10.748 1.00 74.41 C ATOM 730 C ILE A 62 -4.165 -2.220 -11.162 1.00 3.21 C ATOM 731 O ILE A 62 -4.173 -2.691 -12.310 1.00 12.15 O ATOM 732 CB ILE A 62 -3.623 0.330 -11.337 1.00 33.54 C ATOM 733 CG1 ILE A 62 -4.767 1.013 -10.542 1.00 51.31 C ATOM 734 CG2 ILE A 62 -3.968 0.257 -12.815 1.00 60.31 C ATOM 735 CD1 ILE A 62 -6.120 0.367 -10.610 1.00 4.15 C ATOM 0 H ILE A 62 -1.526 -0.876 -11.947 1.00 22.40 H new ATOM 0 HA ILE A 62 -3.260 -0.999 -9.663 1.00 74.41 H new ATOM 0 HB ILE A 62 -2.740 0.959 -11.225 1.00 33.54 H new ATOM 0 HG12 ILE A 62 -4.468 1.066 -9.495 1.00 51.31 H new ATOM 0 HG13 ILE A 62 -4.862 2.039 -10.898 1.00 51.31 H new ATOM 0 HG21 ILE A 62 -4.250 1.247 -13.172 1.00 60.31 H new ATOM 0 HG22 ILE A 62 -3.102 -0.097 -13.374 1.00 60.31 H new ATOM 0 HG23 ILE A 62 -4.800 -0.432 -12.961 1.00 60.31 H new ATOM 0 HD11 ILE A 62 -6.828 0.942 -10.013 1.00 4.15 H new ATOM 0 HD12 ILE A 62 -6.458 0.339 -11.646 1.00 4.15 H new ATOM 0 HD13 ILE A 62 -6.058 -0.649 -10.221 1.00 4.15 H new ATOM 747 N GLN A 63 -4.881 -2.705 -10.206 1.00 13.14 N ATOM 748 CA GLN A 63 -5.866 -3.724 -10.397 1.00 70.21 C ATOM 749 C GLN A 63 -7.206 -3.156 -9.940 1.00 22.03 C ATOM 750 O GLN A 63 -7.270 -2.383 -8.951 1.00 33.31 O ATOM 751 CB GLN A 63 -5.533 -4.966 -9.542 1.00 40.32 C ATOM 752 CG GLN A 63 -4.075 -5.405 -9.598 1.00 11.24 C ATOM 753 CD GLN A 63 -3.577 -5.729 -10.992 1.00 53.12 C ATOM 754 OE1 GLN A 63 -4.322 -6.191 -11.855 1.00 31.44 O ATOM 755 NE2 GLN A 63 -2.322 -5.446 -11.226 1.00 53.20 N ATOM 0 H GLN A 63 -4.797 -2.396 -9.238 1.00 13.14 H new ATOM 0 HA GLN A 63 -5.894 -4.022 -11.445 1.00 70.21 H new ATOM 0 HB2 GLN A 63 -5.796 -4.757 -8.505 1.00 40.32 H new ATOM 0 HB3 GLN A 63 -6.161 -5.795 -9.870 1.00 40.32 H new ATOM 0 HG2 GLN A 63 -3.453 -4.615 -9.177 1.00 11.24 H new ATOM 0 HG3 GLN A 63 -3.947 -6.283 -8.965 1.00 11.24 H new ATOM 0 HE21 GLN A 63 -1.738 -5.064 -10.482 1.00 53.20 H new ATOM 0 HE22 GLN A 63 -1.927 -5.607 -12.153 1.00 53.20 H new ATOM 764 N THR A 64 -8.241 -3.465 -10.660 1.00 14.41 N ATOM 765 CA THR A 64 -9.559 -3.050 -10.280 1.00 4.11 C ATOM 766 C THR A 64 -10.140 -4.088 -9.291 1.00 50.15 C ATOM 767 O THR A 64 -9.520 -5.154 -9.070 1.00 71.42 O ATOM 768 CB THR A 64 -10.476 -2.885 -11.536 1.00 50.11 C ATOM 769 OG1 THR A 64 -11.714 -2.252 -11.178 1.00 34.13 O ATOM 770 CG2 THR A 64 -10.761 -4.232 -12.188 1.00 60.12 C ATOM 0 H THR A 64 -8.198 -4.008 -11.522 1.00 14.41 H new ATOM 0 HA THR A 64 -9.511 -2.077 -9.792 1.00 4.11 H new ATOM 0 HB THR A 64 -9.946 -2.256 -12.251 1.00 50.11 H new ATOM 0 HG1 THR A 64 -12.275 -2.155 -11.976 1.00 34.13 H new ATOM 0 HG21 THR A 64 -11.401 -4.087 -13.059 1.00 60.12 H new ATOM 0 HG22 THR A 64 -9.823 -4.691 -12.500 1.00 60.12 H new ATOM 0 HG23 THR A 64 -11.264 -4.883 -11.473 1.00 60.12 H new ATOM 778 N THR A 65 -11.316 -3.794 -8.725 1.00 11.21 N ATOM 779 CA THR A 65 -11.984 -4.664 -7.759 1.00 42.13 C ATOM 780 C THR A 65 -12.131 -6.103 -8.298 1.00 4.21 C ATOM 781 O THR A 65 -11.917 -7.073 -7.571 1.00 64.52 O ATOM 782 CB THR A 65 -13.382 -4.086 -7.301 1.00 5.22 C ATOM 783 OG1 THR A 65 -13.995 -4.957 -6.351 1.00 12.25 O ATOM 784 CG2 THR A 65 -14.341 -3.891 -8.481 1.00 62.33 C ATOM 0 H THR A 65 -11.832 -2.938 -8.928 1.00 11.21 H new ATOM 0 HA THR A 65 -11.344 -4.699 -6.877 1.00 42.13 H new ATOM 0 HB THR A 65 -13.186 -3.113 -6.850 1.00 5.22 H new ATOM 0 HG1 THR A 65 -14.859 -4.585 -6.076 1.00 12.25 H new ATOM 0 HG21 THR A 65 -15.288 -3.492 -8.118 1.00 62.33 H new ATOM 0 HG22 THR A 65 -13.903 -3.193 -9.194 1.00 62.33 H new ATOM 0 HG23 THR A 65 -14.515 -4.849 -8.971 1.00 62.33 H new ATOM 792 N THR A 66 -12.400 -6.222 -9.588 1.00 64.31 N ATOM 793 CA THR A 66 -12.590 -7.508 -10.226 1.00 43.15 C ATOM 794 C THR A 66 -11.271 -8.303 -10.320 1.00 23.01 C ATOM 795 O THR A 66 -11.248 -9.507 -10.082 1.00 44.42 O ATOM 796 CB THR A 66 -13.229 -7.311 -11.610 1.00 73.13 C ATOM 797 OG1 THR A 66 -14.484 -6.620 -11.439 1.00 51.53 O ATOM 798 CG2 THR A 66 -13.465 -8.640 -12.315 1.00 53.54 C ATOM 0 H THR A 66 -12.492 -5.427 -10.220 1.00 64.31 H new ATOM 0 HA THR A 66 -13.265 -8.101 -9.609 1.00 43.15 H new ATOM 0 HB THR A 66 -12.549 -6.728 -12.231 1.00 73.13 H new ATOM 0 HG1 THR A 66 -14.905 -6.484 -12.314 1.00 51.53 H new ATOM 0 HG21 THR A 66 -13.918 -8.459 -13.290 1.00 53.54 H new ATOM 0 HG22 THR A 66 -12.514 -9.156 -12.447 1.00 53.54 H new ATOM 0 HG23 THR A 66 -14.132 -9.257 -11.714 1.00 53.54 H new ATOM 806 N ALA A 67 -10.188 -7.625 -10.646 1.00 44.31 N ATOM 807 CA ALA A 67 -8.880 -8.251 -10.732 1.00 34.24 C ATOM 808 C ALA A 67 -8.457 -8.721 -9.347 1.00 34.10 C ATOM 809 O ALA A 67 -8.039 -9.863 -9.173 1.00 3.24 O ATOM 810 CB ALA A 67 -7.870 -7.277 -11.315 1.00 2.02 C ATOM 0 H ALA A 67 -10.188 -6.627 -10.858 1.00 44.31 H new ATOM 0 HA ALA A 67 -8.928 -9.115 -11.395 1.00 34.24 H new ATOM 0 HB1 ALA A 67 -6.893 -7.758 -11.374 1.00 2.02 H new ATOM 0 HB2 ALA A 67 -8.188 -6.977 -12.313 1.00 2.02 H new ATOM 0 HB3 ALA A 67 -7.803 -6.397 -10.676 1.00 2.02 H new ATOM 816 N PHE A 68 -8.610 -7.834 -8.365 1.00 54.51 N ATOM 817 CA PHE A 68 -8.363 -8.150 -6.959 1.00 51.15 C ATOM 818 C PHE A 68 -9.149 -9.376 -6.556 1.00 42.04 C ATOM 819 O PHE A 68 -8.587 -10.325 -6.040 1.00 1.01 O ATOM 820 CB PHE A 68 -8.772 -6.966 -6.091 1.00 71.23 C ATOM 821 CG PHE A 68 -8.845 -7.229 -4.595 1.00 11.11 C ATOM 822 CD1 PHE A 68 -7.717 -7.179 -3.802 1.00 2.12 C ATOM 823 CD2 PHE A 68 -10.063 -7.517 -3.993 1.00 53.52 C ATOM 824 CE1 PHE A 68 -7.796 -7.412 -2.443 1.00 22.23 C ATOM 825 CE2 PHE A 68 -10.147 -7.751 -2.642 1.00 54.21 C ATOM 826 CZ PHE A 68 -9.012 -7.700 -1.863 1.00 11.20 C ATOM 0 H PHE A 68 -8.910 -6.872 -8.523 1.00 54.51 H new ATOM 0 HA PHE A 68 -7.301 -8.352 -6.820 1.00 51.15 H new ATOM 0 HB2 PHE A 68 -8.066 -6.154 -6.263 1.00 71.23 H new ATOM 0 HB3 PHE A 68 -9.748 -6.615 -6.426 1.00 71.23 H new ATOM 0 HD1 PHE A 68 -6.760 -6.955 -4.250 1.00 2.12 H new ATOM 0 HD2 PHE A 68 -10.958 -7.558 -4.596 1.00 53.52 H new ATOM 0 HE1 PHE A 68 -6.905 -7.368 -1.835 1.00 22.23 H new ATOM 0 HE2 PHE A 68 -11.102 -7.975 -2.191 1.00 54.21 H new ATOM 0 HZ PHE A 68 -9.075 -7.885 -0.801 1.00 11.20 H new ATOM 836 N LEU A 69 -10.455 -9.320 -6.793 1.00 31.44 N ATOM 837 CA LEU A 69 -11.387 -10.437 -6.517 1.00 21.11 C ATOM 838 C LEU A 69 -10.861 -11.753 -7.122 1.00 24.04 C ATOM 839 O LEU A 69 -10.877 -12.795 -6.460 1.00 5.22 O ATOM 840 CB LEU A 69 -12.811 -10.073 -7.043 1.00 23.23 C ATOM 841 CG LEU A 69 -14.043 -10.937 -6.626 1.00 32.34 C ATOM 842 CD1 LEU A 69 -14.029 -12.342 -7.215 1.00 30.10 C ATOM 843 CD2 LEU A 69 -14.173 -10.993 -5.115 1.00 33.23 C ATOM 0 H LEU A 69 -10.912 -8.497 -7.185 1.00 31.44 H new ATOM 0 HA LEU A 69 -11.456 -10.594 -5.441 1.00 21.11 H new ATOM 0 HB2 LEU A 69 -13.017 -9.047 -6.738 1.00 23.23 H new ATOM 0 HB3 LEU A 69 -12.765 -10.078 -8.132 1.00 23.23 H new ATOM 0 HG LEU A 69 -14.917 -10.439 -7.046 1.00 32.34 H new ATOM 0 HD11 LEU A 69 -14.914 -12.885 -6.883 1.00 30.10 H new ATOM 0 HD12 LEU A 69 -14.028 -12.280 -8.303 1.00 30.10 H new ATOM 0 HD13 LEU A 69 -13.135 -12.868 -6.881 1.00 30.10 H new ATOM 0 HD21 LEU A 69 -15.038 -11.600 -4.846 1.00 33.23 H new ATOM 0 HD22 LEU A 69 -13.273 -11.435 -4.688 1.00 33.23 H new ATOM 0 HD23 LEU A 69 -14.302 -9.984 -4.723 1.00 33.23 H new ATOM 855 N GLN A 70 -10.386 -11.687 -8.342 1.00 12.50 N ATOM 856 CA GLN A 70 -9.813 -12.823 -9.021 1.00 23.14 C ATOM 857 C GLN A 70 -8.592 -13.374 -8.267 1.00 62.13 C ATOM 858 O GLN A 70 -8.527 -14.579 -7.960 1.00 31.03 O ATOM 859 CB GLN A 70 -9.464 -12.435 -10.454 1.00 11.24 C ATOM 860 CG GLN A 70 -10.674 -12.335 -11.368 1.00 35.03 C ATOM 861 CD GLN A 70 -10.330 -11.821 -12.746 1.00 43.22 C ATOM 862 OE1 GLN A 70 -10.000 -12.585 -13.645 1.00 3.40 O ATOM 863 NE2 GLN A 70 -10.414 -10.531 -12.920 1.00 33.31 N ATOM 0 H GLN A 70 -10.387 -10.832 -8.898 1.00 12.50 H new ATOM 0 HA GLN A 70 -10.549 -13.627 -9.047 1.00 23.14 H new ATOM 0 HB2 GLN A 70 -8.945 -11.477 -10.446 1.00 11.24 H new ATOM 0 HB3 GLN A 70 -8.770 -13.170 -10.862 1.00 11.24 H new ATOM 0 HG2 GLN A 70 -11.137 -13.318 -11.458 1.00 35.03 H new ATOM 0 HG3 GLN A 70 -11.413 -11.675 -10.913 1.00 35.03 H new ATOM 0 HE21 GLN A 70 -10.693 -9.929 -12.145 1.00 33.31 H new ATOM 0 HE22 GLN A 70 -10.201 -10.124 -13.831 1.00 33.31 H new ATOM 872 N PHE A 71 -7.673 -12.494 -7.891 1.00 10.43 N ATOM 873 CA PHE A 71 -6.468 -12.929 -7.190 1.00 2.31 C ATOM 874 C PHE A 71 -6.845 -13.430 -5.794 1.00 35.13 C ATOM 875 O PHE A 71 -6.290 -14.403 -5.285 1.00 22.43 O ATOM 876 CB PHE A 71 -5.438 -11.799 -7.075 1.00 30.22 C ATOM 877 CG PHE A 71 -4.972 -11.201 -8.376 1.00 11.32 C ATOM 878 CD1 PHE A 71 -5.054 -9.834 -8.581 1.00 25.44 C ATOM 879 CD2 PHE A 71 -4.456 -11.995 -9.388 1.00 5.40 C ATOM 880 CE1 PHE A 71 -4.635 -9.267 -9.764 1.00 0.23 C ATOM 881 CE2 PHE A 71 -4.033 -11.433 -10.579 1.00 60.01 C ATOM 882 CZ PHE A 71 -4.123 -10.066 -10.765 1.00 14.31 C ATOM 0 H PHE A 71 -7.735 -11.489 -8.055 1.00 10.43 H new ATOM 0 HA PHE A 71 -6.013 -13.734 -7.767 1.00 2.31 H new ATOM 0 HB2 PHE A 71 -5.866 -11.004 -6.464 1.00 30.22 H new ATOM 0 HB3 PHE A 71 -4.568 -12.179 -6.540 1.00 30.22 H new ATOM 0 HD1 PHE A 71 -5.453 -9.203 -7.801 1.00 25.44 H new ATOM 0 HD2 PHE A 71 -4.383 -13.063 -9.245 1.00 5.40 H new ATOM 0 HE1 PHE A 71 -4.707 -8.199 -9.908 1.00 0.23 H new ATOM 0 HE2 PHE A 71 -3.633 -12.061 -11.362 1.00 60.01 H new ATOM 0 HZ PHE A 71 -3.793 -9.624 -11.693 1.00 14.31 H new ATOM 892 N PHE A 72 -7.807 -12.767 -5.208 1.00 35.32 N ATOM 893 CA PHE A 72 -8.351 -13.114 -3.926 1.00 13.11 C ATOM 894 C PHE A 72 -8.907 -14.533 -3.936 1.00 60.01 C ATOM 895 O PHE A 72 -8.472 -15.376 -3.145 1.00 61.52 O ATOM 896 CB PHE A 72 -9.426 -12.080 -3.525 1.00 51.21 C ATOM 897 CG PHE A 72 -10.446 -12.576 -2.550 1.00 72.22 C ATOM 898 CD1 PHE A 72 -11.698 -12.948 -3.004 1.00 73.20 C ATOM 899 CD2 PHE A 72 -10.160 -12.693 -1.210 1.00 42.35 C ATOM 900 CE1 PHE A 72 -12.649 -13.429 -2.144 1.00 64.33 C ATOM 901 CE2 PHE A 72 -11.111 -13.170 -0.339 1.00 12.22 C ATOM 902 CZ PHE A 72 -12.356 -13.541 -0.807 1.00 12.24 C ATOM 0 H PHE A 72 -8.246 -11.946 -5.624 1.00 35.32 H new ATOM 0 HA PHE A 72 -7.557 -13.091 -3.180 1.00 13.11 H new ATOM 0 HB2 PHE A 72 -8.929 -11.209 -3.097 1.00 51.21 H new ATOM 0 HB3 PHE A 72 -9.939 -11.744 -4.426 1.00 51.21 H new ATOM 0 HD1 PHE A 72 -11.930 -12.858 -4.055 1.00 73.20 H new ATOM 0 HD2 PHE A 72 -9.186 -12.409 -0.841 1.00 42.35 H new ATOM 0 HE1 PHE A 72 -13.622 -13.718 -2.514 1.00 64.33 H new ATOM 0 HE2 PHE A 72 -10.884 -13.255 0.713 1.00 12.22 H new ATOM 0 HZ PHE A 72 -13.100 -13.919 -0.121 1.00 12.24 H new ATOM 912 N ARG A 73 -9.806 -14.814 -4.877 1.00 42.40 N ATOM 913 CA ARG A 73 -10.454 -16.110 -4.933 1.00 42.12 C ATOM 914 C ARG A 73 -9.449 -17.193 -5.263 1.00 32.42 C ATOM 915 O ARG A 73 -9.588 -18.334 -4.821 1.00 31.30 O ATOM 916 CB ARG A 73 -11.642 -16.134 -5.916 1.00 22.14 C ATOM 917 CG ARG A 73 -11.265 -16.048 -7.386 1.00 60.34 C ATOM 918 CD ARG A 73 -12.489 -15.980 -8.272 1.00 74.34 C ATOM 919 NE ARG A 73 -13.385 -17.141 -8.105 1.00 21.53 N ATOM 920 CZ ARG A 73 -14.716 -17.109 -8.309 1.00 11.21 C ATOM 921 NH1 ARG A 73 -15.294 -16.000 -8.784 1.00 45.12 N ATOM 922 NH2 ARG A 73 -15.454 -18.186 -8.069 1.00 0.11 N ATOM 0 H ARG A 73 -10.097 -14.161 -5.605 1.00 42.40 H new ATOM 0 HA ARG A 73 -10.866 -16.307 -3.943 1.00 42.12 H new ATOM 0 HB2 ARG A 73 -12.208 -17.052 -5.755 1.00 22.14 H new ATOM 0 HB3 ARG A 73 -12.307 -15.304 -5.678 1.00 22.14 H new ATOM 0 HG2 ARG A 73 -10.645 -15.167 -7.552 1.00 60.34 H new ATOM 0 HG3 ARG A 73 -10.665 -16.916 -7.660 1.00 60.34 H new ATOM 0 HD2 ARG A 73 -13.041 -15.067 -8.051 1.00 74.34 H new ATOM 0 HD3 ARG A 73 -12.174 -15.917 -9.314 1.00 74.34 H new ATOM 0 HE ARG A 73 -12.969 -18.026 -7.816 1.00 21.53 H new ATOM 0 HH11 ARG A 73 -14.727 -15.178 -8.992 1.00 45.12 H new ATOM 0 HH12 ARG A 73 -16.302 -15.976 -8.938 1.00 45.12 H new ATOM 0 HH21 ARG A 73 -15.013 -19.041 -7.729 1.00 0.11 H new ATOM 0 HH22 ARG A 73 -16.462 -18.159 -8.224 1.00 0.11 H new ATOM 936 N GLN A 74 -8.416 -16.828 -6.007 1.00 1.45 N ATOM 937 CA GLN A 74 -7.378 -17.764 -6.346 1.00 44.42 C ATOM 938 C GLN A 74 -6.398 -18.016 -5.210 1.00 42.24 C ATOM 939 O GLN A 74 -5.555 -18.892 -5.305 1.00 15.20 O ATOM 940 CB GLN A 74 -6.685 -17.382 -7.625 1.00 15.50 C ATOM 941 CG GLN A 74 -7.570 -17.598 -8.828 1.00 31.33 C ATOM 942 CD GLN A 74 -7.652 -19.054 -9.330 1.00 43.44 C ATOM 943 OE1 GLN A 74 -7.895 -19.284 -10.513 1.00 2.24 O ATOM 944 NE2 GLN A 74 -7.387 -20.029 -8.492 1.00 32.44 N ATOM 0 H GLN A 74 -8.282 -15.889 -6.383 1.00 1.45 H new ATOM 0 HA GLN A 74 -7.874 -18.720 -6.517 1.00 44.42 H new ATOM 0 HB2 GLN A 74 -6.385 -16.335 -7.577 1.00 15.50 H new ATOM 0 HB3 GLN A 74 -5.774 -17.970 -7.734 1.00 15.50 H new ATOM 0 HG2 GLN A 74 -8.576 -17.257 -8.585 1.00 31.33 H new ATOM 0 HG3 GLN A 74 -7.209 -16.970 -9.642 1.00 31.33 H new ATOM 0 HE21 GLN A 74 -7.188 -19.821 -7.514 1.00 32.44 H new ATOM 0 HE22 GLN A 74 -7.381 -20.995 -8.819 1.00 32.44 H new ATOM 953 N GLY A 75 -6.503 -17.240 -4.154 1.00 33.32 N ATOM 954 CA GLY A 75 -5.706 -17.502 -2.971 1.00 53.24 C ATOM 955 C GLY A 75 -4.476 -16.635 -2.826 1.00 60.31 C ATOM 956 O GLY A 75 -3.633 -16.890 -1.961 1.00 1.50 O ATOM 0 H GLY A 75 -7.123 -16.433 -4.087 1.00 33.32 H new ATOM 0 HA2 GLY A 75 -6.334 -17.366 -2.090 1.00 53.24 H new ATOM 0 HA3 GLY A 75 -5.396 -18.547 -2.984 1.00 53.24 H new ATOM 960 N LEU A 76 -4.380 -15.609 -3.631 1.00 71.42 N ATOM 961 CA LEU A 76 -3.221 -14.716 -3.616 1.00 12.34 C ATOM 962 C LEU A 76 -3.148 -13.900 -2.335 1.00 20.35 C ATOM 963 O LEU A 76 -2.159 -13.946 -1.617 1.00 73.14 O ATOM 964 CB LEU A 76 -3.228 -13.762 -4.828 1.00 24.31 C ATOM 965 CG LEU A 76 -2.781 -14.303 -6.211 1.00 13.42 C ATOM 966 CD1 LEU A 76 -1.300 -14.639 -6.209 1.00 71.32 C ATOM 967 CD2 LEU A 76 -3.589 -15.518 -6.653 1.00 61.13 C ATOM 0 H LEU A 76 -5.092 -15.359 -4.317 1.00 71.42 H new ATOM 0 HA LEU A 76 -2.341 -15.357 -3.671 1.00 12.34 H new ATOM 0 HB2 LEU A 76 -4.241 -13.376 -4.937 1.00 24.31 H new ATOM 0 HB3 LEU A 76 -2.588 -12.914 -4.583 1.00 24.31 H new ATOM 0 HG LEU A 76 -2.968 -13.505 -6.930 1.00 13.42 H new ATOM 0 HD11 LEU A 76 -1.011 -15.016 -7.190 1.00 71.32 H new ATOM 0 HD12 LEU A 76 -0.724 -13.742 -5.981 1.00 71.32 H new ATOM 0 HD13 LEU A 76 -1.101 -15.400 -5.454 1.00 71.32 H new ATOM 0 HD21 LEU A 76 -3.235 -15.856 -7.627 1.00 61.13 H new ATOM 0 HD22 LEU A 76 -3.468 -16.320 -5.925 1.00 61.13 H new ATOM 0 HD23 LEU A 76 -4.643 -15.248 -6.724 1.00 61.13 H new ATOM 979 N PHE A 77 -4.223 -13.206 -2.016 1.00 34.11 N ATOM 980 CA PHE A 77 -4.207 -12.266 -0.894 1.00 20.43 C ATOM 981 C PHE A 77 -4.597 -12.911 0.415 1.00 41.52 C ATOM 982 O PHE A 77 -4.659 -12.244 1.426 1.00 11.21 O ATOM 983 CB PHE A 77 -5.103 -11.061 -1.169 1.00 72.02 C ATOM 984 CG PHE A 77 -4.755 -10.329 -2.426 1.00 14.12 C ATOM 985 CD1 PHE A 77 -5.692 -10.182 -3.423 1.00 63.11 C ATOM 986 CD2 PHE A 77 -3.488 -9.800 -2.614 1.00 2.03 C ATOM 987 CE1 PHE A 77 -5.383 -9.521 -4.585 1.00 32.41 C ATOM 988 CE2 PHE A 77 -3.173 -9.136 -3.781 1.00 74.35 C ATOM 989 CZ PHE A 77 -4.126 -8.995 -4.770 1.00 24.42 C ATOM 0 H PHE A 77 -5.114 -13.268 -2.508 1.00 34.11 H new ATOM 0 HA PHE A 77 -3.175 -11.929 -0.798 1.00 20.43 H new ATOM 0 HB2 PHE A 77 -6.139 -11.395 -1.228 1.00 72.02 H new ATOM 0 HB3 PHE A 77 -5.038 -10.371 -0.327 1.00 72.02 H new ATOM 0 HD1 PHE A 77 -6.682 -10.592 -3.289 1.00 63.11 H new ATOM 0 HD2 PHE A 77 -2.742 -9.909 -1.841 1.00 2.03 H new ATOM 0 HE1 PHE A 77 -6.130 -9.413 -5.357 1.00 32.41 H new ATOM 0 HE2 PHE A 77 -2.183 -8.727 -3.921 1.00 74.35 H new ATOM 0 HZ PHE A 77 -3.885 -8.474 -5.685 1.00 24.42 H new ATOM 999 N LYS A 78 -4.770 -14.220 0.404 1.00 2.12 N ATOM 1000 CA LYS A 78 -5.193 -14.960 1.600 1.00 35.42 C ATOM 1001 C LYS A 78 -4.158 -14.948 2.720 1.00 75.34 C ATOM 1002 O LYS A 78 -4.407 -15.389 3.845 1.00 72.30 O ATOM 1003 CB LYS A 78 -5.677 -16.362 1.297 1.00 20.25 C ATOM 1004 CG LYS A 78 -6.934 -16.398 0.445 1.00 3.34 C ATOM 1005 CD LYS A 78 -7.660 -17.733 0.565 1.00 34.21 C ATOM 1006 CE LYS A 78 -6.761 -18.930 0.291 1.00 45.22 C ATOM 1007 NZ LYS A 78 -7.497 -20.193 0.459 1.00 20.42 N ATOM 0 H LYS A 78 -4.626 -14.804 -0.420 1.00 2.12 H new ATOM 0 HA LYS A 78 -6.055 -14.408 1.973 1.00 35.42 H new ATOM 0 HB2 LYS A 78 -4.885 -16.909 0.785 1.00 20.25 H new ATOM 0 HB3 LYS A 78 -5.869 -16.882 2.235 1.00 20.25 H new ATOM 0 HG2 LYS A 78 -7.602 -15.592 0.748 1.00 3.34 H new ATOM 0 HG3 LYS A 78 -6.672 -16.219 -0.598 1.00 3.34 H new ATOM 0 HD2 LYS A 78 -8.079 -17.823 1.567 1.00 34.21 H new ATOM 0 HD3 LYS A 78 -8.497 -17.748 -0.133 1.00 34.21 H new ATOM 0 HE2 LYS A 78 -6.366 -18.868 -0.723 1.00 45.22 H new ATOM 0 HE3 LYS A 78 -5.907 -18.910 0.968 1.00 45.22 H new ATOM 0 HZ1 LYS A 78 -6.861 -20.993 0.266 1.00 20.42 H new ATOM 0 HZ2 LYS A 78 -7.853 -20.260 1.434 1.00 20.42 H new ATOM 0 HZ3 LYS A 78 -8.297 -20.219 -0.204 1.00 20.42 H new ATOM 1021 N LYS A 79 -2.975 -14.520 2.382 1.00 10.11 N ATOM 1022 CA LYS A 79 -1.911 -14.397 3.338 1.00 71.05 C ATOM 1023 C LYS A 79 -2.082 -13.145 4.197 1.00 65.51 C ATOM 1024 O LYS A 79 -1.389 -12.980 5.198 1.00 11.14 O ATOM 1025 CB LYS A 79 -0.565 -14.416 2.641 1.00 2.34 C ATOM 1026 CG LYS A 79 -0.332 -15.696 1.872 1.00 1.01 C ATOM 1027 CD LYS A 79 1.008 -15.703 1.198 1.00 50.11 C ATOM 1028 CE LYS A 79 1.248 -17.026 0.512 1.00 10.33 C ATOM 1029 NZ LYS A 79 2.584 -17.097 -0.093 1.00 3.31 N ATOM 0 H LYS A 79 -2.720 -14.246 1.433 1.00 10.11 H new ATOM 0 HA LYS A 79 -1.953 -15.255 4.009 1.00 71.05 H new ATOM 0 HB2 LYS A 79 -0.500 -13.569 1.959 1.00 2.34 H new ATOM 0 HB3 LYS A 79 0.226 -14.291 3.381 1.00 2.34 H new ATOM 0 HG2 LYS A 79 -0.402 -16.546 2.551 1.00 1.01 H new ATOM 0 HG3 LYS A 79 -1.116 -15.819 1.125 1.00 1.01 H new ATOM 0 HD2 LYS A 79 1.059 -14.894 0.469 1.00 50.11 H new ATOM 0 HD3 LYS A 79 1.792 -15.520 1.933 1.00 50.11 H new ATOM 0 HE2 LYS A 79 1.133 -17.835 1.234 1.00 10.33 H new ATOM 0 HE3 LYS A 79 0.492 -17.177 -0.259 1.00 10.33 H new ATOM 0 HZ1 LYS A 79 2.708 -18.021 -0.553 1.00 3.31 H new ATOM 0 HZ2 LYS A 79 2.685 -16.341 -0.800 1.00 3.31 H new ATOM 0 HZ3 LYS A 79 3.306 -16.979 0.646 1.00 3.31 H new ATOM 1043 N LEU A 80 -3.014 -12.273 3.806 1.00 71.22 N ATOM 1044 CA LEU A 80 -3.297 -11.053 4.557 1.00 41.33 C ATOM 1045 C LEU A 80 -3.939 -11.416 5.897 1.00 52.42 C ATOM 1046 O LEU A 80 -3.743 -10.733 6.902 1.00 11.42 O ATOM 1047 CB LEU A 80 -4.217 -10.121 3.750 1.00 10.14 C ATOM 1048 CG LEU A 80 -4.536 -8.757 4.376 1.00 33.13 C ATOM 1049 CD1 LEU A 80 -3.271 -7.943 4.547 1.00 70.40 C ATOM 1050 CD2 LEU A 80 -5.542 -7.997 3.524 1.00 21.30 C ATOM 0 H LEU A 80 -3.586 -12.392 2.970 1.00 71.22 H new ATOM 0 HA LEU A 80 -2.362 -10.523 4.742 1.00 41.33 H new ATOM 0 HB2 LEU A 80 -3.758 -9.950 2.776 1.00 10.14 H new ATOM 0 HB3 LEU A 80 -5.158 -10.642 3.572 1.00 10.14 H new ATOM 0 HG LEU A 80 -4.976 -8.927 5.359 1.00 33.13 H new ATOM 0 HD11 LEU A 80 -3.516 -6.979 4.992 1.00 70.40 H new ATOM 0 HD12 LEU A 80 -2.579 -8.478 5.198 1.00 70.40 H new ATOM 0 HD13 LEU A 80 -2.805 -7.785 3.574 1.00 70.40 H new ATOM 0 HD21 LEU A 80 -5.755 -7.033 3.985 1.00 21.30 H new ATOM 0 HD22 LEU A 80 -5.129 -7.839 2.528 1.00 21.30 H new ATOM 0 HD23 LEU A 80 -6.464 -8.574 3.448 1.00 21.30 H new ATOM 1062 N LYS A 81 -4.640 -12.536 5.909 1.00 40.44 N ATOM 1063 CA LYS A 81 -5.261 -13.064 7.112 1.00 50.13 C ATOM 1064 C LYS A 81 -4.179 -13.482 8.128 1.00 50.51 C ATOM 1065 O LYS A 81 -4.375 -13.408 9.348 1.00 20.42 O ATOM 1066 CB LYS A 81 -6.213 -14.231 6.711 1.00 63.05 C ATOM 1067 CG LYS A 81 -6.829 -15.064 7.843 1.00 44.23 C ATOM 1068 CD LYS A 81 -5.933 -16.232 8.236 1.00 34.12 C ATOM 1069 CE LYS A 81 -5.862 -17.275 7.123 1.00 63.23 C ATOM 1070 NZ LYS A 81 -4.893 -18.337 7.433 1.00 21.24 N ATOM 0 H LYS A 81 -4.796 -13.109 5.079 1.00 40.44 H new ATOM 0 HA LYS A 81 -5.863 -12.302 7.607 1.00 50.13 H new ATOM 0 HB2 LYS A 81 -7.028 -13.812 6.120 1.00 63.05 H new ATOM 0 HB3 LYS A 81 -5.660 -14.907 6.059 1.00 63.05 H new ATOM 0 HG2 LYS A 81 -6.999 -14.428 8.712 1.00 44.23 H new ATOM 0 HG3 LYS A 81 -7.802 -15.442 7.529 1.00 44.23 H new ATOM 0 HD2 LYS A 81 -4.931 -15.866 8.459 1.00 34.12 H new ATOM 0 HD3 LYS A 81 -6.313 -16.694 9.147 1.00 34.12 H new ATOM 0 HE2 LYS A 81 -6.848 -17.715 6.973 1.00 63.23 H new ATOM 0 HE3 LYS A 81 -5.584 -16.790 6.187 1.00 63.23 H new ATOM 0 HZ1 LYS A 81 -5.162 -19.209 6.933 1.00 21.24 H new ATOM 0 HZ2 LYS A 81 -3.944 -18.041 7.127 1.00 21.24 H new ATOM 0 HZ3 LYS A 81 -4.887 -18.513 8.458 1.00 21.24 H new ATOM 1084 N ASP A 82 -3.028 -13.860 7.612 1.00 45.34 N ATOM 1085 CA ASP A 82 -1.897 -14.287 8.436 1.00 60.11 C ATOM 1086 C ASP A 82 -0.913 -13.151 8.608 1.00 31.24 C ATOM 1087 O ASP A 82 0.175 -13.336 9.163 1.00 50.22 O ATOM 1088 CB ASP A 82 -1.154 -15.476 7.809 1.00 21.13 C ATOM 1089 CG ASP A 82 -1.947 -16.753 7.770 1.00 33.52 C ATOM 1090 OD1 ASP A 82 -1.844 -17.571 8.707 1.00 20.11 O ATOM 1091 OD2 ASP A 82 -2.650 -16.995 6.787 1.00 31.30 O ATOM 0 H ASP A 82 -2.842 -13.883 6.609 1.00 45.34 H new ATOM 0 HA ASP A 82 -2.303 -14.589 9.401 1.00 60.11 H new ATOM 0 HB2 ASP A 82 -0.863 -15.212 6.792 1.00 21.13 H new ATOM 0 HB3 ASP A 82 -0.235 -15.650 8.368 1.00 21.13 H new ATOM 1096 N ALA A 83 -1.283 -11.985 8.143 1.00 24.10 N ATOM 1097 CA ALA A 83 -0.418 -10.842 8.216 1.00 5.20 C ATOM 1098 C ALA A 83 -0.632 -10.096 9.509 1.00 42.30 C ATOM 1099 O ALA A 83 -1.728 -10.134 10.096 1.00 45.51 O ATOM 1100 CB ALA A 83 -0.611 -9.930 7.018 1.00 31.20 C ATOM 0 H ALA A 83 -2.187 -11.805 7.706 1.00 24.10 H new ATOM 0 HA ALA A 83 0.613 -11.196 8.196 1.00 5.20 H new ATOM 0 HB1 ALA A 83 0.058 -9.073 7.102 1.00 31.20 H new ATOM 0 HB2 ALA A 83 -0.386 -10.478 6.103 1.00 31.20 H new ATOM 0 HB3 ALA A 83 -1.644 -9.583 6.988 1.00 31.20 H new ATOM 1106 N GLU A 84 0.399 -9.462 9.963 1.00 51.31 N ATOM 1107 CA GLU A 84 0.371 -8.705 11.181 1.00 3.33 C ATOM 1108 C GLU A 84 0.315 -7.240 10.837 1.00 45.10 C ATOM 1109 O GLU A 84 1.046 -6.777 9.955 1.00 12.43 O ATOM 1110 CB GLU A 84 1.592 -9.039 12.015 1.00 13.50 C ATOM 1111 CG GLU A 84 1.632 -10.498 12.421 1.00 13.33 C ATOM 1112 CD GLU A 84 2.874 -10.877 13.165 1.00 70.11 C ATOM 1113 OE1 GLU A 84 3.726 -11.569 12.605 1.00 13.11 O ATOM 1114 OE2 GLU A 84 3.015 -10.502 14.341 1.00 1.12 O ATOM 0 H GLU A 84 1.304 -9.453 9.492 1.00 51.31 H new ATOM 0 HA GLU A 84 -0.510 -8.956 11.771 1.00 3.33 H new ATOM 0 HB2 GLU A 84 2.492 -8.797 11.450 1.00 13.50 H new ATOM 0 HB3 GLU A 84 1.600 -8.415 12.909 1.00 13.50 H new ATOM 0 HG2 GLU A 84 0.764 -10.718 13.043 1.00 13.33 H new ATOM 0 HG3 GLU A 84 1.549 -11.118 11.528 1.00 13.33 H new ATOM 1121 N PHE A 85 -0.550 -6.524 11.496 1.00 13.11 N ATOM 1122 CA PHE A 85 -0.786 -5.142 11.169 1.00 60.24 C ATOM 1123 C PHE A 85 0.176 -4.188 11.844 1.00 4.31 C ATOM 1124 O PHE A 85 0.611 -4.393 12.980 1.00 14.30 O ATOM 1125 CB PHE A 85 -2.251 -4.734 11.444 1.00 25.40 C ATOM 1126 CG PHE A 85 -2.729 -4.954 12.857 1.00 1.10 C ATOM 1127 CD1 PHE A 85 -3.323 -6.150 13.225 1.00 24.43 C ATOM 1128 CD2 PHE A 85 -2.588 -3.963 13.812 1.00 52.44 C ATOM 1129 CE1 PHE A 85 -3.764 -6.352 14.512 1.00 22.04 C ATOM 1130 CE2 PHE A 85 -3.025 -4.160 15.098 1.00 75.33 C ATOM 1131 CZ PHE A 85 -3.615 -5.358 15.452 1.00 11.20 C ATOM 0 H PHE A 85 -1.110 -6.877 12.272 1.00 13.11 H new ATOM 0 HA PHE A 85 -0.599 -5.059 10.098 1.00 60.24 H new ATOM 0 HB2 PHE A 85 -2.369 -3.678 11.199 1.00 25.40 H new ATOM 0 HB3 PHE A 85 -2.899 -5.292 10.768 1.00 25.40 H new ATOM 0 HD1 PHE A 85 -3.441 -6.934 12.492 1.00 24.43 H new ATOM 0 HD2 PHE A 85 -2.129 -3.023 13.542 1.00 52.44 H new ATOM 0 HE1 PHE A 85 -4.226 -7.289 14.784 1.00 22.04 H new ATOM 0 HE2 PHE A 85 -2.908 -3.378 15.834 1.00 75.33 H new ATOM 0 HZ PHE A 85 -3.958 -5.514 16.464 1.00 11.20 H new ATOM 1300 N GLU A 97 -5.945 14.338 6.067 1.00 2.10 N ATOM 1301 CA GLU A 97 -4.768 13.499 5.976 1.00 42.41 C ATOM 1302 C GLU A 97 -5.162 12.105 5.485 1.00 71.04 C ATOM 1303 O GLU A 97 -6.366 11.747 5.459 1.00 51.10 O ATOM 1304 CB GLU A 97 -4.059 13.379 7.328 1.00 41.04 C ATOM 1305 CG GLU A 97 -3.359 14.640 7.817 1.00 70.11 C ATOM 1306 CD GLU A 97 -2.218 15.068 6.932 1.00 54.24 C ATOM 1307 OE1 GLU A 97 -2.180 16.241 6.515 1.00 73.11 O ATOM 1308 OE2 GLU A 97 -1.331 14.249 6.636 1.00 13.32 O ATOM 0 HA GLU A 97 -4.081 13.964 5.269 1.00 42.41 H new ATOM 0 HB2 GLU A 97 -4.791 13.078 8.077 1.00 41.04 H new ATOM 0 HB3 GLU A 97 -3.322 12.578 7.262 1.00 41.04 H new ATOM 0 HG2 GLU A 97 -4.086 15.450 7.879 1.00 70.11 H new ATOM 0 HG3 GLU A 97 -2.984 14.471 8.826 1.00 70.11 H new ATOM 1315 N GLY A 98 -4.170 11.333 5.120 1.00 4.35 N ATOM 1316 CA GLY A 98 -4.373 9.994 4.665 1.00 75.53 C ATOM 1317 C GLY A 98 -3.963 8.998 5.719 1.00 0.23 C ATOM 1318 O GLY A 98 -3.034 9.246 6.484 1.00 41.43 O ATOM 0 H GLY A 98 -3.193 11.625 5.133 1.00 4.35 H new ATOM 0 HA2 GLY A 98 -5.423 9.848 4.410 1.00 75.53 H new ATOM 0 HA3 GLY A 98 -3.797 9.824 3.755 1.00 75.53 H new ATOM 1322 N TYR A 99 -4.643 7.896 5.780 1.00 71.21 N ATOM 1323 CA TYR A 99 -4.356 6.882 6.759 1.00 61.10 C ATOM 1324 C TYR A 99 -3.785 5.688 6.039 1.00 54.35 C ATOM 1325 O TYR A 99 -4.324 5.284 4.992 1.00 33.34 O ATOM 1326 CB TYR A 99 -5.636 6.448 7.494 1.00 72.44 C ATOM 1327 CG TYR A 99 -6.547 7.587 7.906 1.00 31.33 C ATOM 1328 CD1 TYR A 99 -7.866 7.610 7.485 1.00 50.13 C ATOM 1329 CD2 TYR A 99 -6.089 8.640 8.685 1.00 64.12 C ATOM 1330 CE1 TYR A 99 -8.710 8.638 7.819 1.00 71.52 C ATOM 1331 CE2 TYR A 99 -6.922 9.682 9.037 1.00 44.30 C ATOM 1332 CZ TYR A 99 -8.233 9.685 8.605 1.00 12.41 C ATOM 1333 OH TYR A 99 -9.055 10.743 8.954 1.00 24.21 O ATOM 0 H TYR A 99 -5.415 7.669 5.153 1.00 71.21 H new ATOM 0 HA TYR A 99 -3.654 7.280 7.492 1.00 61.10 H new ATOM 0 HB2 TYR A 99 -6.195 5.768 6.851 1.00 72.44 H new ATOM 0 HB3 TYR A 99 -5.354 5.886 8.384 1.00 72.44 H new ATOM 0 HD1 TYR A 99 -8.239 6.798 6.878 1.00 50.13 H new ATOM 0 HD2 TYR A 99 -5.063 8.644 9.022 1.00 64.12 H new ATOM 0 HE1 TYR A 99 -9.734 8.636 7.476 1.00 71.52 H new ATOM 0 HE2 TYR A 99 -6.550 10.491 9.648 1.00 44.30 H new ATOM 0 HH TYR A 99 -8.590 11.589 8.784 1.00 24.21 H new ATOM 1343 N LYS A 100 -2.714 5.141 6.561 1.00 11.33 N ATOM 1344 CA LYS A 100 -2.098 3.981 5.979 1.00 11.44 C ATOM 1345 C LYS A 100 -2.236 2.805 6.912 1.00 52.31 C ATOM 1346 O LYS A 100 -1.642 2.773 7.992 1.00 1.44 O ATOM 1347 CB LYS A 100 -0.618 4.220 5.668 1.00 55.21 C ATOM 1348 CG LYS A 100 -0.354 5.306 4.646 1.00 4.10 C ATOM 1349 CD LYS A 100 1.135 5.461 4.399 1.00 62.14 C ATOM 1350 CE LYS A 100 1.422 6.561 3.399 1.00 74.35 C ATOM 1351 NZ LYS A 100 2.871 6.719 3.159 1.00 61.23 N ATOM 0 H LYS A 100 -2.248 5.489 7.399 1.00 11.33 H new ATOM 0 HA LYS A 100 -2.609 3.771 5.039 1.00 11.44 H new ATOM 0 HB2 LYS A 100 -0.103 4.478 6.594 1.00 55.21 H new ATOM 0 HB3 LYS A 100 -0.181 3.288 5.309 1.00 55.21 H new ATOM 0 HG2 LYS A 100 -0.859 5.063 3.711 1.00 4.10 H new ATOM 0 HG3 LYS A 100 -0.770 6.251 4.997 1.00 4.10 H new ATOM 0 HD2 LYS A 100 1.639 5.683 5.340 1.00 62.14 H new ATOM 0 HD3 LYS A 100 1.544 4.519 4.032 1.00 62.14 H new ATOM 0 HE2 LYS A 100 0.920 6.337 2.458 1.00 74.35 H new ATOM 0 HE3 LYS A 100 1.009 7.501 3.764 1.00 74.35 H new ATOM 0 HZ1 LYS A 100 3.028 7.481 2.469 1.00 61.23 H new ATOM 0 HZ2 LYS A 100 3.347 6.958 4.052 1.00 61.23 H new ATOM 0 HZ3 LYS A 100 3.260 5.829 2.786 1.00 61.23 H new ATOM 1365 N LEU A 101 -3.037 1.878 6.533 1.00 42.15 N ATOM 1366 CA LEU A 101 -3.192 0.671 7.295 1.00 61.44 C ATOM 1367 C LEU A 101 -2.296 -0.347 6.633 1.00 4.23 C ATOM 1368 O LEU A 101 -2.559 -0.745 5.506 1.00 13.21 O ATOM 1369 CB LEU A 101 -4.664 0.169 7.302 1.00 51.44 C ATOM 1370 CG LEU A 101 -5.770 1.126 7.841 1.00 61.12 C ATOM 1371 CD1 LEU A 101 -5.425 1.691 9.206 1.00 31.25 C ATOM 1372 CD2 LEU A 101 -6.120 2.234 6.846 1.00 55.52 C ATOM 0 H LEU A 101 -3.608 1.924 5.689 1.00 42.15 H new ATOM 0 HA LEU A 101 -2.927 0.840 8.339 1.00 61.44 H new ATOM 0 HB2 LEU A 101 -4.928 -0.101 6.279 1.00 51.44 H new ATOM 0 HB3 LEU A 101 -4.700 -0.746 7.893 1.00 51.44 H new ATOM 0 HG LEU A 101 -6.665 0.516 7.963 1.00 61.12 H new ATOM 0 HD11 LEU A 101 -6.225 2.352 9.539 1.00 31.25 H new ATOM 0 HD12 LEU A 101 -5.308 0.875 9.919 1.00 31.25 H new ATOM 0 HD13 LEU A 101 -4.493 2.253 9.142 1.00 31.25 H new ATOM 0 HD21 LEU A 101 -6.895 2.872 7.270 1.00 55.52 H new ATOM 0 HD22 LEU A 101 -5.232 2.831 6.639 1.00 55.52 H new ATOM 0 HD23 LEU A 101 -6.483 1.790 5.919 1.00 55.52 H new ATOM 1384 N VAL A 102 -1.213 -0.704 7.270 1.00 13.12 N ATOM 1385 CA VAL A 102 -0.266 -1.586 6.634 1.00 33.44 C ATOM 1386 C VAL A 102 -0.194 -2.906 7.383 1.00 11.52 C ATOM 1387 O VAL A 102 -0.448 -2.968 8.585 1.00 32.01 O ATOM 1388 CB VAL A 102 1.164 -0.967 6.572 1.00 65.14 C ATOM 1389 CG1 VAL A 102 2.066 -1.705 5.569 1.00 75.03 C ATOM 1390 CG2 VAL A 102 1.138 0.534 6.303 1.00 70.11 C ATOM 0 H VAL A 102 -0.965 -0.405 8.213 1.00 13.12 H new ATOM 0 HA VAL A 102 -0.617 -1.745 5.614 1.00 33.44 H new ATOM 0 HB VAL A 102 1.600 -1.102 7.562 1.00 65.14 H new ATOM 0 HG11 VAL A 102 3.052 -1.242 5.557 1.00 75.03 H new ATOM 0 HG12 VAL A 102 2.160 -2.750 5.864 1.00 75.03 H new ATOM 0 HG13 VAL A 102 1.626 -1.647 4.573 1.00 75.03 H new ATOM 0 HG21 VAL A 102 2.159 0.915 6.270 1.00 70.11 H new ATOM 0 HG22 VAL A 102 0.648 0.724 5.348 1.00 70.11 H new ATOM 0 HG23 VAL A 102 0.589 1.037 7.099 1.00 70.11 H new ATOM 1400 N TRP A 103 0.101 -3.940 6.664 1.00 74.23 N ATOM 1401 CA TRP A 103 0.301 -5.255 7.201 1.00 24.40 C ATOM 1402 C TRP A 103 1.564 -5.820 6.622 1.00 71.32 C ATOM 1403 O TRP A 103 1.958 -5.459 5.504 1.00 14.14 O ATOM 1404 CB TRP A 103 -0.832 -6.197 6.820 1.00 60.02 C ATOM 1405 CG TRP A 103 -2.174 -5.849 7.353 1.00 53.54 C ATOM 1406 CD1 TRP A 103 -2.759 -6.362 8.463 1.00 74.23 C ATOM 1407 CD2 TRP A 103 -3.118 -4.944 6.780 1.00 42.02 C ATOM 1408 NE1 TRP A 103 -4.004 -5.827 8.625 1.00 31.01 N ATOM 1409 CE2 TRP A 103 -4.249 -4.960 7.602 1.00 60.41 C ATOM 1410 CE3 TRP A 103 -3.113 -4.116 5.652 1.00 4.11 C ATOM 1411 CZ2 TRP A 103 -5.364 -4.198 7.331 1.00 11.25 C ATOM 1412 CZ3 TRP A 103 -4.221 -3.366 5.392 1.00 32.24 C ATOM 1413 CH2 TRP A 103 -5.329 -3.413 6.225 1.00 61.02 C ATOM 0 H TRP A 103 0.214 -3.895 5.651 1.00 74.23 H new ATOM 0 HA TRP A 103 0.346 -5.170 8.287 1.00 24.40 H new ATOM 0 HB2 TRP A 103 -0.894 -6.238 5.733 1.00 60.02 H new ATOM 0 HB3 TRP A 103 -0.575 -7.199 7.163 1.00 60.02 H new ATOM 0 HD1 TRP A 103 -2.306 -7.088 9.122 1.00 74.23 H new ATOM 0 HE1 TRP A 103 -4.647 -6.041 9.388 1.00 31.01 H new ATOM 0 HE3 TRP A 103 -2.251 -4.072 5.003 1.00 4.11 H new ATOM 0 HZ2 TRP A 103 -6.232 -4.224 7.973 1.00 11.25 H new ATOM 0 HZ3 TRP A 103 -4.236 -2.725 4.523 1.00 32.24 H new ATOM 0 HH2 TRP A 103 -6.190 -2.806 5.986 1.00 61.02 H new ATOM 1424 N LYS A 104 2.194 -6.673 7.367 1.00 12.33 N ATOM 1425 CA LYS A 104 3.353 -7.402 6.923 1.00 43.33 C ATOM 1426 C LYS A 104 3.059 -8.872 7.157 1.00 44.44 C ATOM 1427 O LYS A 104 2.584 -9.241 8.240 1.00 53.45 O ATOM 1428 CB LYS A 104 4.604 -6.998 7.718 1.00 10.10 C ATOM 1429 CG LYS A 104 5.026 -5.533 7.586 1.00 0.24 C ATOM 1430 CD LYS A 104 6.230 -5.252 8.484 1.00 12.11 C ATOM 1431 CE LYS A 104 6.719 -3.804 8.408 1.00 2.23 C ATOM 1432 NZ LYS A 104 7.309 -3.456 7.097 1.00 4.54 N ATOM 0 H LYS A 104 1.915 -6.891 8.324 1.00 12.33 H new ATOM 0 HA LYS A 104 3.551 -7.188 5.873 1.00 43.33 H new ATOM 0 HB2 LYS A 104 4.428 -7.213 8.772 1.00 10.10 H new ATOM 0 HB3 LYS A 104 5.435 -7.627 7.398 1.00 10.10 H new ATOM 0 HG2 LYS A 104 5.276 -5.310 6.549 1.00 0.24 H new ATOM 0 HG3 LYS A 104 4.197 -4.881 7.861 1.00 0.24 H new ATOM 0 HD2 LYS A 104 5.967 -5.485 9.516 1.00 12.11 H new ATOM 0 HD3 LYS A 104 7.046 -5.919 8.205 1.00 12.11 H new ATOM 0 HE2 LYS A 104 5.884 -3.134 8.613 1.00 2.23 H new ATOM 0 HE3 LYS A 104 7.461 -3.636 9.189 1.00 2.23 H new ATOM 0 HZ1 LYS A 104 7.898 -2.605 7.197 1.00 4.54 H new ATOM 0 HZ2 LYS A 104 7.895 -4.246 6.760 1.00 4.54 H new ATOM 0 HZ3 LYS A 104 6.548 -3.272 6.412 1.00 4.54 H new ATOM 1446 N SER A 105 3.278 -9.690 6.171 1.00 45.34 N ATOM 1447 CA SER A 105 3.019 -11.106 6.300 1.00 63.21 C ATOM 1448 C SER A 105 4.230 -11.814 6.924 1.00 1.13 C ATOM 1449 O SER A 105 5.132 -11.154 7.465 1.00 5.15 O ATOM 1450 CB SER A 105 2.718 -11.679 4.928 1.00 51.12 C ATOM 1451 OG SER A 105 3.812 -11.467 4.078 1.00 45.13 O ATOM 0 H SER A 105 3.638 -9.405 5.260 1.00 45.34 H new ATOM 0 HA SER A 105 2.162 -11.263 6.954 1.00 63.21 H new ATOM 0 HB2 SER A 105 2.507 -12.746 5.007 1.00 51.12 H new ATOM 0 HB3 SER A 105 1.827 -11.208 4.514 1.00 51.12 H new ATOM 0 HG SER A 105 3.801 -12.132 3.358 1.00 45.13 H new ATOM 1640 N TRP A 117 9.011 -10.325 3.021 1.00 51.45 N ATOM 1641 CA TRP A 117 7.685 -10.414 3.528 1.00 10.13 C ATOM 1642 C TRP A 117 6.769 -9.781 2.498 1.00 72.22 C ATOM 1643 O TRP A 117 7.241 -9.245 1.494 1.00 12.43 O ATOM 1644 CB TRP A 117 7.563 -9.737 4.921 1.00 74.21 C ATOM 1645 CG TRP A 117 8.109 -8.333 4.983 1.00 1.31 C ATOM 1646 CD1 TRP A 117 7.686 -7.279 4.264 1.00 13.13 C ATOM 1647 CD2 TRP A 117 9.159 -7.842 5.829 1.00 13.54 C ATOM 1648 NE1 TRP A 117 8.405 -6.156 4.579 1.00 70.03 N ATOM 1649 CE2 TRP A 117 9.316 -6.476 5.544 1.00 34.10 C ATOM 1650 CE3 TRP A 117 9.982 -8.425 6.794 1.00 74.20 C ATOM 1651 CZ2 TRP A 117 10.258 -5.686 6.190 1.00 52.43 C ATOM 1652 CZ3 TRP A 117 10.917 -7.640 7.434 1.00 64.31 C ATOM 1653 CH2 TRP A 117 11.047 -6.286 7.130 1.00 45.43 C ATOM 0 HA TRP A 117 7.401 -11.454 3.686 1.00 10.13 H new ATOM 0 HB2 TRP A 117 6.512 -9.718 5.211 1.00 74.21 H new ATOM 0 HB3 TRP A 117 8.086 -10.349 5.656 1.00 74.21 H new ATOM 0 HD1 TRP A 117 6.888 -7.313 3.537 1.00 13.13 H new ATOM 0 HE1 TRP A 117 8.280 -5.234 4.162 1.00 70.03 H new ATOM 0 HE3 TRP A 117 9.888 -9.474 7.035 1.00 74.20 H new ATOM 0 HZ2 TRP A 117 10.363 -4.636 5.958 1.00 52.43 H new ATOM 0 HZ3 TRP A 117 11.559 -8.081 8.182 1.00 64.31 H new ATOM 0 HH2 TRP A 117 11.789 -5.698 7.650 1.00 45.43 H new ATOM 1664 N ASP A 118 5.511 -9.865 2.684 1.00 62.31 N ATOM 1665 CA ASP A 118 4.609 -9.231 1.766 1.00 61.03 C ATOM 1666 C ASP A 118 3.956 -8.146 2.521 1.00 12.40 C ATOM 1667 O ASP A 118 3.562 -8.340 3.680 1.00 40.13 O ATOM 1668 CB ASP A 118 3.536 -10.190 1.222 1.00 52.31 C ATOM 1669 CG ASP A 118 4.095 -11.550 0.854 1.00 62.03 C ATOM 1670 OD1 ASP A 118 4.673 -11.701 -0.224 1.00 1.41 O ATOM 1671 OD2 ASP A 118 4.005 -12.496 1.675 1.00 63.32 O ATOM 0 H ASP A 118 5.068 -10.362 3.457 1.00 62.31 H new ATOM 0 HA ASP A 118 5.165 -8.873 0.899 1.00 61.03 H new ATOM 0 HB2 ASP A 118 2.754 -10.314 1.971 1.00 52.31 H new ATOM 0 HB3 ASP A 118 3.069 -9.745 0.344 1.00 52.31 H new ATOM 1676 N GLU A 119 3.858 -7.021 1.931 1.00 42.14 N ATOM 1677 CA GLU A 119 3.252 -5.903 2.609 1.00 43.34 C ATOM 1678 C GLU A 119 2.000 -5.470 1.959 1.00 25.23 C ATOM 1679 O GLU A 119 1.821 -5.600 0.742 1.00 75.44 O ATOM 1680 CB GLU A 119 4.195 -4.721 2.800 1.00 62.21 C ATOM 1681 CG GLU A 119 5.269 -5.006 3.787 1.00 30.01 C ATOM 1682 CD GLU A 119 6.192 -3.861 4.033 1.00 34.01 C ATOM 1683 OE1 GLU A 119 7.257 -3.804 3.413 1.00 64.21 O ATOM 1684 OE2 GLU A 119 5.911 -3.030 4.912 1.00 54.12 O ATOM 0 H GLU A 119 4.183 -6.830 0.983 1.00 42.14 H new ATOM 0 HA GLU A 119 3.010 -6.275 3.605 1.00 43.34 H new ATOM 0 HB2 GLU A 119 4.645 -4.461 1.842 1.00 62.21 H new ATOM 0 HB3 GLU A 119 3.623 -3.853 3.130 1.00 62.21 H new ATOM 0 HG2 GLU A 119 4.811 -5.298 4.732 1.00 30.01 H new ATOM 0 HG3 GLU A 119 5.851 -5.859 3.438 1.00 30.01 H new ATOM 1691 N ALA A 120 1.131 -4.981 2.759 1.00 53.25 N ATOM 1692 CA ALA A 120 -0.128 -4.505 2.305 1.00 42.22 C ATOM 1693 C ALA A 120 -0.381 -3.175 2.920 1.00 34.31 C ATOM 1694 O ALA A 120 -0.452 -3.069 4.114 1.00 50.40 O ATOM 1695 CB ALA A 120 -1.213 -5.488 2.662 1.00 10.43 C ATOM 0 H ALA A 120 1.272 -4.897 3.766 1.00 53.25 H new ATOM 0 HA ALA A 120 -0.124 -4.401 1.220 1.00 42.22 H new ATOM 0 HB1 ALA A 120 -2.174 -5.113 2.309 1.00 10.43 H new ATOM 0 HB2 ALA A 120 -1.003 -6.448 2.191 1.00 10.43 H new ATOM 0 HB3 ALA A 120 -1.248 -5.614 3.744 1.00 10.43 H new ATOM 1701 N GLU A 121 -0.493 -2.181 2.112 1.00 43.12 N ATOM 1702 CA GLU A 121 -0.658 -0.837 2.575 1.00 73.02 C ATOM 1703 C GLU A 121 -1.955 -0.275 2.018 1.00 43.22 C ATOM 1704 O GLU A 121 -2.096 -0.092 0.816 1.00 31.02 O ATOM 1705 CB GLU A 121 0.572 -0.020 2.140 1.00 75.34 C ATOM 1706 CG GLU A 121 0.599 1.435 2.566 1.00 4.13 C ATOM 1707 CD GLU A 121 1.944 2.064 2.288 1.00 40.51 C ATOM 1708 OE1 GLU A 121 2.223 2.432 1.130 1.00 12.42 O ATOM 1709 OE2 GLU A 121 2.757 2.196 3.217 1.00 1.23 O ATOM 0 H GLU A 121 -0.473 -2.273 1.096 1.00 43.12 H new ATOM 0 HA GLU A 121 -0.726 -0.794 3.662 1.00 73.02 H new ATOM 0 HB2 GLU A 121 1.463 -0.508 2.534 1.00 75.34 H new ATOM 0 HB3 GLU A 121 0.641 -0.059 1.053 1.00 75.34 H new ATOM 0 HG2 GLU A 121 -0.179 1.986 2.037 1.00 4.13 H new ATOM 0 HG3 GLU A 121 0.374 1.509 3.630 1.00 4.13 H new ATOM 1716 N ALA A 122 -2.907 -0.070 2.880 1.00 50.33 N ATOM 1717 CA ALA A 122 -4.189 0.457 2.493 1.00 40.51 C ATOM 1718 C ALA A 122 -4.234 1.944 2.759 1.00 1.04 C ATOM 1719 O ALA A 122 -3.839 2.397 3.833 1.00 1.43 O ATOM 1720 CB ALA A 122 -5.303 -0.275 3.215 1.00 73.45 C ATOM 0 H ALA A 122 -2.819 -0.264 3.878 1.00 50.33 H new ATOM 0 HA ALA A 122 -4.335 0.301 1.424 1.00 40.51 H new ATOM 0 HB1 ALA A 122 -6.266 0.136 2.911 1.00 73.45 H new ATOM 0 HB2 ALA A 122 -5.265 -1.335 2.963 1.00 73.45 H new ATOM 0 HB3 ALA A 122 -5.180 -0.153 4.291 1.00 73.45 H new ATOM 1726 N TYR A 123 -4.715 2.684 1.795 1.00 72.53 N ATOM 1727 CA TYR A 123 -4.712 4.129 1.830 1.00 22.52 C ATOM 1728 C TYR A 123 -6.135 4.655 1.878 1.00 54.33 C ATOM 1729 O TYR A 123 -6.937 4.385 0.971 1.00 13.22 O ATOM 1730 CB TYR A 123 -4.096 4.676 0.541 1.00 21.43 C ATOM 1731 CG TYR A 123 -2.766 4.099 0.138 1.00 71.32 C ATOM 1732 CD1 TYR A 123 -1.586 4.721 0.498 1.00 51.43 C ATOM 1733 CD2 TYR A 123 -2.692 2.944 -0.650 1.00 45.13 C ATOM 1734 CE1 TYR A 123 -0.374 4.224 0.088 1.00 43.13 C ATOM 1735 CE2 TYR A 123 -1.488 2.446 -1.045 1.00 72.13 C ATOM 1736 CZ TYR A 123 -0.333 3.083 -0.682 1.00 13.31 C ATOM 1737 OH TYR A 123 0.879 2.589 -1.111 1.00 64.02 O ATOM 0 H TYR A 123 -5.128 2.296 0.947 1.00 72.53 H new ATOM 0 HA TYR A 123 -4.147 4.440 2.709 1.00 22.52 H new ATOM 0 HB2 TYR A 123 -4.802 4.509 -0.273 1.00 21.43 H new ATOM 0 HB3 TYR A 123 -3.982 5.755 0.648 1.00 21.43 H new ATOM 0 HD1 TYR A 123 -1.618 5.610 1.110 1.00 51.43 H new ATOM 0 HD2 TYR A 123 -3.601 2.442 -0.948 1.00 45.13 H new ATOM 0 HE1 TYR A 123 0.541 4.724 0.367 1.00 43.13 H new ATOM 0 HE2 TYR A 123 -1.445 1.549 -1.644 1.00 72.13 H new ATOM 0 HH TYR A 123 1.571 2.801 -0.450 1.00 64.02 H new ATOM 1747 N ILE A 124 -6.447 5.394 2.897 1.00 51.21 N ATOM 1748 CA ILE A 124 -7.735 6.075 3.016 1.00 44.32 C ATOM 1749 C ILE A 124 -7.418 7.541 3.193 1.00 33.40 C ATOM 1750 O ILE A 124 -6.368 7.855 3.717 1.00 63.20 O ATOM 1751 CB ILE A 124 -8.523 5.603 4.282 1.00 2.22 C ATOM 1752 CG1 ILE A 124 -8.784 4.099 4.269 1.00 21.42 C ATOM 1753 CG2 ILE A 124 -9.843 6.372 4.469 1.00 73.35 C ATOM 1754 CD1 ILE A 124 -9.578 3.641 5.475 1.00 62.20 C ATOM 0 H ILE A 124 -5.821 5.554 3.686 1.00 51.21 H new ATOM 0 HA ILE A 124 -8.345 5.864 2.138 1.00 44.32 H new ATOM 0 HB ILE A 124 -7.881 5.828 5.134 1.00 2.22 H new ATOM 0 HG12 ILE A 124 -9.324 3.834 3.360 1.00 21.42 H new ATOM 0 HG13 ILE A 124 -7.833 3.568 4.241 1.00 21.42 H new ATOM 0 HG21 ILE A 124 -10.353 6.008 5.361 1.00 73.35 H new ATOM 0 HG22 ILE A 124 -9.632 7.436 4.580 1.00 73.35 H new ATOM 0 HG23 ILE A 124 -10.480 6.218 3.598 1.00 73.35 H new ATOM 0 HD11 ILE A 124 -9.737 2.564 5.418 1.00 62.20 H new ATOM 0 HD12 ILE A 124 -9.027 3.879 6.385 1.00 62.20 H new ATOM 0 HD13 ILE A 124 -10.542 4.150 5.491 1.00 62.20 H new ATOM 1766 N TRP A 125 -8.259 8.429 2.747 1.00 72.22 N ATOM 1767 CA TRP A 125 -8.030 9.809 3.037 1.00 40.10 C ATOM 1768 C TRP A 125 -9.312 10.429 3.541 1.00 62.41 C ATOM 1769 O TRP A 125 -10.441 10.002 3.140 1.00 44.34 O ATOM 1770 CB TRP A 125 -7.410 10.598 1.839 1.00 73.33 C ATOM 1771 CG TRP A 125 -8.376 11.236 0.865 1.00 51.44 C ATOM 1772 CD1 TRP A 125 -8.591 12.576 0.714 1.00 64.24 C ATOM 1773 CD2 TRP A 125 -9.243 10.589 -0.074 1.00 32.53 C ATOM 1774 NE1 TRP A 125 -9.526 12.801 -0.261 1.00 21.13 N ATOM 1775 CE2 TRP A 125 -9.944 11.603 -0.759 1.00 62.13 C ATOM 1776 CE3 TRP A 125 -9.494 9.267 -0.403 1.00 43.01 C ATOM 1777 CZ2 TRP A 125 -10.876 11.325 -1.748 1.00 60.23 C ATOM 1778 CZ3 TRP A 125 -10.419 8.987 -1.382 1.00 22.14 C ATOM 1779 CH2 TRP A 125 -11.102 10.016 -2.047 1.00 61.42 C ATOM 0 H TRP A 125 -9.091 8.226 2.193 1.00 72.22 H new ATOM 0 HA TRP A 125 -7.275 9.871 3.821 1.00 40.10 H new ATOM 0 HB2 TRP A 125 -6.770 11.382 2.244 1.00 73.33 H new ATOM 0 HB3 TRP A 125 -6.766 9.917 1.282 1.00 73.33 H new ATOM 0 HD1 TRP A 125 -8.094 13.348 1.283 1.00 64.24 H new ATOM 0 HE1 TRP A 125 -9.856 13.717 -0.565 1.00 21.13 H new ATOM 0 HE3 TRP A 125 -8.971 8.468 0.102 1.00 43.01 H new ATOM 0 HZ2 TRP A 125 -11.402 12.116 -2.261 1.00 60.23 H new ATOM 0 HZ3 TRP A 125 -10.622 7.959 -1.643 1.00 22.14 H new ATOM 0 HH2 TRP A 125 -11.822 9.765 -2.812 1.00 61.42 H new ATOM 1790 N ARG A 126 -9.168 11.356 4.460 1.00 45.13 N ATOM 1791 CA ARG A 126 -10.290 12.067 4.975 1.00 23.35 C ATOM 1792 C ARG A 126 -10.585 13.196 4.024 1.00 62.13 C ATOM 1793 O ARG A 126 -9.726 14.040 3.763 1.00 63.33 O ATOM 1794 CB ARG A 126 -10.034 12.605 6.399 1.00 22.43 C ATOM 1795 CG ARG A 126 -11.220 13.382 6.966 1.00 63.43 C ATOM 1796 CD ARG A 126 -10.955 13.972 8.351 1.00 60.10 C ATOM 1797 NE ARG A 126 -10.816 12.960 9.425 1.00 40.24 N ATOM 1798 CZ ARG A 126 -11.195 13.160 10.713 1.00 65.54 C ATOM 1799 NH1 ARG A 126 -11.934 14.206 11.052 1.00 4.10 N ATOM 1800 NH2 ARG A 126 -10.864 12.300 11.660 1.00 10.22 N ATOM 0 H ARG A 126 -8.271 11.629 4.862 1.00 45.13 H new ATOM 0 HA ARG A 126 -11.142 11.392 5.055 1.00 23.35 H new ATOM 0 HB2 ARG A 126 -9.804 11.770 7.061 1.00 22.43 H new ATOM 0 HB3 ARG A 126 -9.157 13.252 6.385 1.00 22.43 H new ATOM 0 HG2 ARG A 126 -11.478 14.188 6.279 1.00 63.43 H new ATOM 0 HG3 ARG A 126 -12.085 12.721 7.021 1.00 63.43 H new ATOM 0 HD2 ARG A 126 -10.045 14.570 8.311 1.00 60.10 H new ATOM 0 HD3 ARG A 126 -11.770 14.649 8.608 1.00 60.10 H new ATOM 0 HE ARG A 126 -10.410 12.057 9.181 1.00 40.24 H new ATOM 0 HH11 ARG A 126 -12.227 14.876 10.341 1.00 4.10 H new ATOM 0 HH12 ARG A 126 -12.210 14.342 12.024 1.00 4.10 H new ATOM 0 HH21 ARG A 126 -10.316 11.472 11.428 1.00 10.22 H new ATOM 0 HH22 ARG A 126 -11.156 12.465 12.623 1.00 10.22 H new ATOM 1814 N ARG A 127 -11.753 13.185 3.484 1.00 21.44 N ATOM 1815 CA ARG A 127 -12.170 14.181 2.561 1.00 11.33 C ATOM 1816 C ARG A 127 -12.805 15.294 3.384 1.00 64.23 C ATOM 1817 O ARG A 127 -13.631 15.024 4.264 1.00 60.33 O ATOM 1818 CB ARG A 127 -13.165 13.536 1.570 1.00 21.11 C ATOM 1819 CG ARG A 127 -13.697 14.429 0.465 1.00 32.34 C ATOM 1820 CD ARG A 127 -14.647 13.645 -0.431 1.00 41.13 C ATOM 1821 NE ARG A 127 -15.247 14.477 -1.471 1.00 3.32 N ATOM 1822 CZ ARG A 127 -16.054 14.031 -2.452 1.00 11.42 C ATOM 1823 NH1 ARG A 127 -16.299 12.730 -2.589 1.00 13.30 N ATOM 1824 NH2 ARG A 127 -16.607 14.887 -3.292 1.00 35.44 N ATOM 0 H ARG A 127 -12.457 12.472 3.674 1.00 21.44 H new ATOM 0 HA ARG A 127 -11.350 14.595 1.974 1.00 11.33 H new ATOM 0 HB2 ARG A 127 -12.678 12.677 1.109 1.00 21.11 H new ATOM 0 HB3 ARG A 127 -14.013 13.155 2.138 1.00 21.11 H new ATOM 0 HG2 ARG A 127 -14.216 15.285 0.897 1.00 32.34 H new ATOM 0 HG3 ARG A 127 -12.869 14.822 -0.125 1.00 32.34 H new ATOM 0 HD2 ARG A 127 -14.106 12.821 -0.896 1.00 41.13 H new ATOM 0 HD3 ARG A 127 -15.436 13.205 0.178 1.00 41.13 H new ATOM 0 HE ARG A 127 -15.038 15.475 -1.452 1.00 3.32 H new ATOM 0 HH11 ARG A 127 -15.874 12.061 -1.947 1.00 13.30 H new ATOM 0 HH12 ARG A 127 -16.912 12.402 -3.336 1.00 13.30 H new ATOM 0 HH21 ARG A 127 -16.423 15.886 -3.197 1.00 35.44 H new ATOM 0 HH22 ARG A 127 -17.218 14.549 -4.035 1.00 35.44 H new ATOM 1838 N LYS A 128 -12.435 16.528 3.103 1.00 30.14 N ATOM 1839 CA LYS A 128 -12.898 17.708 3.870 1.00 61.24 C ATOM 1840 C LYS A 128 -14.421 17.887 3.751 1.00 13.23 C ATOM 1841 O LYS A 128 -15.042 18.626 4.504 1.00 12.23 O ATOM 1842 CB LYS A 128 -12.159 18.957 3.369 1.00 34.43 C ATOM 1843 CG LYS A 128 -12.443 20.247 4.145 1.00 75.15 C ATOM 1844 CD LYS A 128 -11.680 21.431 3.564 1.00 31.11 C ATOM 1845 CE LYS A 128 -12.131 21.756 2.141 1.00 5.44 C ATOM 1846 NZ LYS A 128 -11.297 22.801 1.534 1.00 55.34 N ATOM 0 H LYS A 128 -11.803 16.760 2.337 1.00 30.14 H new ATOM 0 HA LYS A 128 -12.673 17.555 4.926 1.00 61.24 H new ATOM 0 HB2 LYS A 128 -11.087 18.762 3.403 1.00 34.43 H new ATOM 0 HB3 LYS A 128 -12.421 19.118 2.323 1.00 34.43 H new ATOM 0 HG2 LYS A 128 -13.512 20.457 4.124 1.00 75.15 H new ATOM 0 HG3 LYS A 128 -12.165 20.112 5.190 1.00 75.15 H new ATOM 0 HD2 LYS A 128 -11.826 22.304 4.200 1.00 31.11 H new ATOM 0 HD3 LYS A 128 -10.612 21.211 3.565 1.00 31.11 H new ATOM 0 HE2 LYS A 128 -12.087 20.854 1.530 1.00 5.44 H new ATOM 0 HE3 LYS A 128 -13.171 22.082 2.154 1.00 5.44 H new ATOM 0 HZ1 LYS A 128 -11.632 22.996 0.569 1.00 55.34 H new ATOM 0 HZ2 LYS A 128 -11.359 23.669 2.104 1.00 55.34 H new ATOM 0 HZ3 LYS A 128 -10.309 22.480 1.499 1.00 55.34 H new ATOM 1860 N ASP A 129 -14.999 17.162 2.819 1.00 62.35 N ATOM 1861 CA ASP A 129 -16.430 17.178 2.557 1.00 53.12 C ATOM 1862 C ASP A 129 -17.213 16.490 3.700 1.00 70.15 C ATOM 1863 O ASP A 129 -18.435 16.597 3.783 1.00 21.31 O ATOM 1864 CB ASP A 129 -16.709 16.491 1.218 1.00 25.52 C ATOM 1865 CG ASP A 129 -18.131 16.659 0.725 1.00 71.31 C ATOM 1866 OD1 ASP A 129 -18.439 17.722 0.138 1.00 65.55 O ATOM 1867 OD2 ASP A 129 -18.937 15.718 0.850 1.00 72.42 O ATOM 0 H ASP A 129 -14.481 16.531 2.207 1.00 62.35 H new ATOM 0 HA ASP A 129 -16.768 18.213 2.506 1.00 53.12 H new ATOM 0 HB2 ASP A 129 -16.026 16.889 0.468 1.00 25.52 H new ATOM 0 HB3 ASP A 129 -16.492 15.427 1.315 1.00 25.52 H new ATOM 1872 N GLY A 130 -16.491 15.812 4.590 1.00 55.00 N ATOM 1873 CA GLY A 130 -17.119 15.169 5.731 1.00 24.42 C ATOM 1874 C GLY A 130 -17.083 13.663 5.652 1.00 30.34 C ATOM 1875 O GLY A 130 -17.372 12.972 6.627 1.00 10.21 O ATOM 0 H GLY A 130 -15.479 15.697 4.540 1.00 55.00 H new ATOM 0 HA2 GLY A 130 -16.618 15.492 6.644 1.00 24.42 H new ATOM 0 HA3 GLY A 130 -18.155 15.499 5.802 1.00 24.42 H new ATOM 1879 N SER A 131 -16.754 13.152 4.508 1.00 61.12 N ATOM 1880 CA SER A 131 -16.653 11.746 4.315 1.00 43.25 C ATOM 1881 C SER A 131 -15.190 11.337 4.265 1.00 22.22 C ATOM 1882 O SER A 131 -14.307 12.172 4.111 1.00 10.41 O ATOM 1883 CB SER A 131 -17.342 11.366 3.012 1.00 44.43 C ATOM 1884 OG SER A 131 -18.710 11.751 3.029 1.00 34.45 O ATOM 0 H SER A 131 -16.547 13.706 3.677 1.00 61.12 H new ATOM 0 HA SER A 131 -17.136 11.229 5.144 1.00 43.25 H new ATOM 0 HB2 SER A 131 -16.836 11.846 2.175 1.00 44.43 H new ATOM 0 HB3 SER A 131 -17.265 10.290 2.856 1.00 44.43 H new ATOM 0 HG SER A 131 -19.132 11.498 2.181 1.00 34.45 H new ATOM 1890 N CYS A 132 -14.952 10.094 4.395 1.00 43.35 N ATOM 1891 CA CYS A 132 -13.639 9.538 4.221 1.00 43.32 C ATOM 1892 C CYS A 132 -13.761 8.422 3.228 1.00 42.12 C ATOM 1893 O CYS A 132 -14.781 7.728 3.208 1.00 22.21 O ATOM 1894 CB CYS A 132 -13.074 9.046 5.543 1.00 12.44 C ATOM 1895 SG CYS A 132 -14.083 7.810 6.393 1.00 74.35 S ATOM 0 H CYS A 132 -15.667 9.405 4.630 1.00 43.35 H new ATOM 0 HA CYS A 132 -12.946 10.296 3.856 1.00 43.32 H new ATOM 0 HB2 CYS A 132 -12.085 8.625 5.364 1.00 12.44 H new ATOM 0 HB3 CYS A 132 -12.941 9.902 6.205 1.00 12.44 H new ATOM 0 HG CYS A 132 -15.342 8.070 6.200 1.00 74.35 H new ATOM 1901 N TRP A 133 -12.791 8.249 2.386 1.00 73.34 N ATOM 1902 CA TRP A 133 -12.917 7.247 1.374 1.00 70.54 C ATOM 1903 C TRP A 133 -11.581 6.600 1.142 1.00 64.14 C ATOM 1904 O TRP A 133 -10.544 7.177 1.475 1.00 51.43 O ATOM 1905 CB TRP A 133 -13.476 7.867 0.082 1.00 74.32 C ATOM 1906 CG TRP A 133 -14.166 6.881 -0.809 1.00 10.33 C ATOM 1907 CD1 TRP A 133 -15.216 6.104 -0.461 1.00 50.24 C ATOM 1908 CD2 TRP A 133 -13.895 6.590 -2.188 1.00 32.42 C ATOM 1909 NE1 TRP A 133 -15.620 5.340 -1.518 1.00 33.43 N ATOM 1910 CE2 TRP A 133 -14.828 5.618 -2.594 1.00 13.12 C ATOM 1911 CE3 TRP A 133 -12.961 7.052 -3.116 1.00 41.23 C ATOM 1912 CZ2 TRP A 133 -14.853 5.103 -3.882 1.00 33.11 C ATOM 1913 CZ3 TRP A 133 -12.987 6.540 -4.397 1.00 21.02 C ATOM 1914 CH2 TRP A 133 -13.926 5.577 -4.769 1.00 74.32 C ATOM 0 H TRP A 133 -11.918 8.777 2.377 1.00 73.34 H new ATOM 0 HA TRP A 133 -13.618 6.479 1.701 1.00 70.54 H new ATOM 0 HB2 TRP A 133 -14.177 8.660 0.344 1.00 74.32 H new ATOM 0 HB3 TRP A 133 -12.660 8.333 -0.470 1.00 74.32 H new ATOM 0 HD1 TRP A 133 -15.672 6.090 0.518 1.00 50.24 H new ATOM 0 HE1 TRP A 133 -16.389 4.670 -1.505 1.00 33.43 H new ATOM 0 HE3 TRP A 133 -12.231 7.797 -2.837 1.00 41.23 H new ATOM 0 HZ2 TRP A 133 -15.577 4.356 -4.173 1.00 33.11 H new ATOM 0 HZ3 TRP A 133 -12.269 6.890 -5.124 1.00 21.02 H new ATOM 0 HH2 TRP A 133 -13.921 5.197 -5.780 1.00 74.32 H new ATOM 1925 N LEU A 134 -11.606 5.395 0.652 1.00 21.14 N ATOM 1926 CA LEU A 134 -10.413 4.677 0.335 1.00 61.51 C ATOM 1927 C LEU A 134 -9.759 5.299 -0.867 1.00 23.24 C ATOM 1928 O LEU A 134 -10.350 5.383 -1.944 1.00 62.22 O ATOM 1929 CB LEU A 134 -10.671 3.174 0.095 1.00 5.31 C ATOM 1930 CG LEU A 134 -10.940 2.286 1.332 1.00 64.22 C ATOM 1931 CD1 LEU A 134 -12.221 2.670 2.061 1.00 22.44 C ATOM 1932 CD2 LEU A 134 -10.969 0.821 0.931 1.00 51.14 C ATOM 0 H LEU A 134 -12.466 4.881 0.460 1.00 21.14 H new ATOM 0 HA LEU A 134 -9.747 4.744 1.195 1.00 61.51 H new ATOM 0 HB2 LEU A 134 -11.525 3.083 -0.576 1.00 5.31 H new ATOM 0 HB3 LEU A 134 -9.808 2.765 -0.431 1.00 5.31 H new ATOM 0 HG LEU A 134 -10.120 2.451 2.031 1.00 64.22 H new ATOM 0 HD11 LEU A 134 -12.361 2.015 2.921 1.00 22.44 H new ATOM 0 HD12 LEU A 134 -12.151 3.704 2.400 1.00 22.44 H new ATOM 0 HD13 LEU A 134 -13.069 2.567 1.385 1.00 22.44 H new ATOM 0 HD21 LEU A 134 -11.159 0.207 1.811 1.00 51.14 H new ATOM 0 HD22 LEU A 134 -11.760 0.660 0.198 1.00 51.14 H new ATOM 0 HD23 LEU A 134 -10.009 0.544 0.496 1.00 51.14 H new ATOM 1944 N HIS A 135 -8.564 5.754 -0.663 1.00 31.11 N ATOM 1945 CA HIS A 135 -7.788 6.372 -1.687 1.00 41.43 C ATOM 1946 C HIS A 135 -7.348 5.285 -2.646 1.00 62.21 C ATOM 1947 O HIS A 135 -7.563 5.368 -3.868 1.00 2.23 O ATOM 1948 CB HIS A 135 -6.555 7.064 -1.059 1.00 0.14 C ATOM 1949 CG HIS A 135 -5.647 7.761 -2.036 1.00 32.44 C ATOM 1950 ND1 HIS A 135 -4.661 7.125 -2.764 1.00 13.42 N ATOM 1951 CD2 HIS A 135 -5.596 9.058 -2.402 1.00 53.31 C ATOM 1952 CE1 HIS A 135 -4.057 8.028 -3.526 1.00 4.11 C ATOM 1953 NE2 HIS A 135 -4.586 9.226 -3.351 1.00 34.42 N ATOM 0 H HIS A 135 -8.092 5.705 0.240 1.00 31.11 H new ATOM 0 HA HIS A 135 -8.371 7.127 -2.214 1.00 41.43 H new ATOM 0 HB2 HIS A 135 -6.901 7.792 -0.325 1.00 0.14 H new ATOM 0 HB3 HIS A 135 -5.975 6.317 -0.517 1.00 0.14 H new ATOM 0 HD1 HIS A 135 -4.435 6.131 -2.723 1.00 13.42 H new ATOM 0 HD2 HIS A 135 -6.235 9.842 -2.022 1.00 53.31 H new ATOM 0 HE1 HIS A 135 -3.241 7.812 -4.200 1.00 4.11 H new ATOM 1961 N SER A 136 -6.791 4.247 -2.068 1.00 61.52 N ATOM 1962 CA SER A 136 -6.258 3.133 -2.795 1.00 14.22 C ATOM 1963 C SER A 136 -5.766 2.107 -1.810 1.00 44.51 C ATOM 1964 O SER A 136 -5.877 2.304 -0.616 1.00 50.33 O ATOM 1965 CB SER A 136 -5.118 3.598 -3.740 1.00 11.31 C ATOM 1966 OG SER A 136 -4.173 4.421 -3.063 1.00 44.04 O ATOM 0 H SER A 136 -6.697 4.157 -1.056 1.00 61.52 H new ATOM 0 HA SER A 136 -7.034 2.688 -3.418 1.00 14.22 H new ATOM 0 HB2 SER A 136 -4.611 2.727 -4.154 1.00 11.31 H new ATOM 0 HB3 SER A 136 -5.543 4.148 -4.580 1.00 11.31 H new ATOM 0 HG SER A 136 -3.757 3.912 -2.337 1.00 44.04 H new ATOM 1972 N VAL A 137 -5.298 1.010 -2.289 1.00 20.45 N ATOM 1973 CA VAL A 137 -4.681 0.002 -1.474 1.00 34.32 C ATOM 1974 C VAL A 137 -3.588 -0.570 -2.325 1.00 22.51 C ATOM 1975 O VAL A 137 -3.783 -0.741 -3.521 1.00 12.21 O ATOM 1976 CB VAL A 137 -5.653 -1.152 -1.110 1.00 12.33 C ATOM 1977 CG1 VAL A 137 -4.990 -2.179 -0.197 1.00 0.21 C ATOM 1978 CG2 VAL A 137 -6.980 -0.676 -0.519 1.00 60.41 C ATOM 0 H VAL A 137 -5.330 0.774 -3.281 1.00 20.45 H new ATOM 0 HA VAL A 137 -4.341 0.442 -0.537 1.00 34.32 H new ATOM 0 HB VAL A 137 -5.896 -1.634 -2.057 1.00 12.33 H new ATOM 0 HG11 VAL A 137 -5.701 -2.971 0.036 1.00 0.21 H new ATOM 0 HG12 VAL A 137 -4.122 -2.606 -0.700 1.00 0.21 H new ATOM 0 HG13 VAL A 137 -4.672 -1.694 0.726 1.00 0.21 H new ATOM 0 HG21 VAL A 137 -7.606 -1.538 -0.290 1.00 60.41 H new ATOM 0 HG22 VAL A 137 -6.790 -0.112 0.394 1.00 60.41 H new ATOM 0 HG23 VAL A 137 -7.491 -0.038 -1.240 1.00 60.41 H new ATOM 1988 N LYS A 138 -2.466 -0.820 -1.766 1.00 43.43 N ATOM 1989 CA LYS A 138 -1.384 -1.361 -2.510 1.00 62.34 C ATOM 1990 C LYS A 138 -0.830 -2.568 -1.802 1.00 44.45 C ATOM 1991 O LYS A 138 -0.567 -2.543 -0.603 1.00 2.52 O ATOM 1992 CB LYS A 138 -0.311 -0.287 -2.719 1.00 25.34 C ATOM 1993 CG LYS A 138 0.908 -0.705 -3.513 1.00 53.33 C ATOM 1994 CD LYS A 138 1.805 0.497 -3.744 1.00 74.14 C ATOM 1995 CE LYS A 138 3.055 0.137 -4.508 1.00 5.44 C ATOM 1996 NZ LYS A 138 3.883 1.328 -4.806 1.00 74.42 N ATOM 0 H LYS A 138 -2.266 -0.657 -0.779 1.00 43.43 H new ATOM 0 HA LYS A 138 -1.734 -1.681 -3.491 1.00 62.34 H new ATOM 0 HB2 LYS A 138 -0.771 0.564 -3.221 1.00 25.34 H new ATOM 0 HB3 LYS A 138 0.020 0.061 -1.741 1.00 25.34 H new ATOM 0 HG2 LYS A 138 1.454 -1.481 -2.977 1.00 53.33 H new ATOM 0 HG3 LYS A 138 0.603 -1.132 -4.468 1.00 53.33 H new ATOM 0 HD2 LYS A 138 1.253 1.260 -4.293 1.00 74.14 H new ATOM 0 HD3 LYS A 138 2.081 0.932 -2.783 1.00 74.14 H new ATOM 0 HE2 LYS A 138 3.641 -0.577 -3.929 1.00 5.44 H new ATOM 0 HE3 LYS A 138 2.781 -0.357 -5.440 1.00 5.44 H new ATOM 0 HZ1 LYS A 138 4.732 1.038 -5.332 1.00 74.42 H new ATOM 0 HZ2 LYS A 138 3.333 1.999 -5.380 1.00 74.42 H new ATOM 0 HZ3 LYS A 138 4.166 1.785 -3.916 1.00 74.42 H new ATOM 2010 N PHE A 139 -0.687 -3.609 -2.536 1.00 71.43 N ATOM 2011 CA PHE A 139 -0.135 -4.827 -2.062 1.00 54.53 C ATOM 2012 C PHE A 139 1.197 -5.006 -2.709 1.00 30.35 C ATOM 2013 O PHE A 139 1.337 -4.799 -3.919 1.00 21.43 O ATOM 2014 CB PHE A 139 -1.041 -6.009 -2.421 1.00 42.12 C ATOM 2015 CG PHE A 139 -2.392 -5.937 -1.790 1.00 54.11 C ATOM 2016 CD1 PHE A 139 -3.524 -5.705 -2.547 1.00 2.24 C ATOM 2017 CD2 PHE A 139 -2.523 -6.088 -0.436 1.00 51.21 C ATOM 2018 CE1 PHE A 139 -4.763 -5.631 -1.947 1.00 64.40 C ATOM 2019 CE2 PHE A 139 -3.749 -6.015 0.172 1.00 61.35 C ATOM 2020 CZ PHE A 139 -4.876 -5.785 -0.583 1.00 33.20 C ATOM 0 H PHE A 139 -0.960 -3.639 -3.518 1.00 71.43 H new ATOM 0 HA PHE A 139 -0.040 -4.791 -0.977 1.00 54.53 H new ATOM 0 HB2 PHE A 139 -1.156 -6.052 -3.504 1.00 42.12 H new ATOM 0 HB3 PHE A 139 -0.555 -6.935 -2.115 1.00 42.12 H new ATOM 0 HD1 PHE A 139 -3.438 -5.581 -3.616 1.00 2.24 H new ATOM 0 HD2 PHE A 139 -1.644 -6.268 0.165 1.00 51.21 H new ATOM 0 HE1 PHE A 139 -5.644 -5.452 -2.546 1.00 64.40 H new ATOM 0 HE2 PHE A 139 -3.830 -6.138 1.242 1.00 61.35 H new ATOM 0 HZ PHE A 139 -5.844 -5.726 -0.108 1.00 33.20 H new ATOM 2030 N ILE A 140 2.171 -5.350 -1.946 1.00 74.03 N ATOM 2031 CA ILE A 140 3.480 -5.555 -2.472 1.00 31.13 C ATOM 2032 C ILE A 140 4.008 -6.850 -1.954 1.00 54.20 C ATOM 2033 O ILE A 140 4.475 -6.959 -0.820 1.00 62.34 O ATOM 2034 CB ILE A 140 4.456 -4.361 -2.197 1.00 63.34 C ATOM 2035 CG1 ILE A 140 4.376 -3.894 -0.732 1.00 62.24 C ATOM 2036 CG2 ILE A 140 4.199 -3.210 -3.165 1.00 72.21 C ATOM 2037 CD1 ILE A 140 5.316 -2.759 -0.374 1.00 73.22 C ATOM 0 H ILE A 140 2.088 -5.498 -0.940 1.00 74.03 H new ATOM 0 HA ILE A 140 3.408 -5.601 -3.559 1.00 31.13 H new ATOM 0 HB ILE A 140 5.472 -4.717 -2.367 1.00 63.34 H new ATOM 0 HG12 ILE A 140 3.354 -3.581 -0.521 1.00 62.24 H new ATOM 0 HG13 ILE A 140 4.590 -4.743 -0.083 1.00 62.24 H new ATOM 0 HG21 ILE A 140 4.890 -2.394 -2.952 1.00 72.21 H new ATOM 0 HG22 ILE A 140 4.349 -3.555 -4.188 1.00 72.21 H new ATOM 0 HG23 ILE A 140 3.174 -2.857 -3.047 1.00 72.21 H new ATOM 0 HD11 ILE A 140 5.188 -2.499 0.677 1.00 73.22 H new ATOM 0 HD12 ILE A 140 6.346 -3.071 -0.548 1.00 73.22 H new ATOM 0 HD13 ILE A 140 5.090 -1.891 -0.993 1.00 73.22 H new ATOM 2049 N MET A 141 3.891 -7.849 -2.768 1.00 50.50 N ATOM 2050 CA MET A 141 4.252 -9.166 -2.359 1.00 12.12 C ATOM 2051 C MET A 141 5.696 -9.426 -2.639 1.00 44.44 C ATOM 2052 O MET A 141 6.227 -8.978 -3.669 1.00 0.15 O ATOM 2053 CB MET A 141 3.369 -10.215 -3.032 1.00 10.04 C ATOM 2054 CG MET A 141 1.883 -10.077 -2.715 1.00 34.12 C ATOM 2055 SD MET A 141 0.858 -11.330 -3.527 1.00 64.51 S ATOM 2056 CE MET A 141 1.449 -12.831 -2.739 1.00 3.01 C ATOM 0 H MET A 141 3.546 -7.776 -3.725 1.00 50.50 H new ATOM 0 HA MET A 141 4.093 -9.240 -1.283 1.00 12.12 H new ATOM 0 HB2 MET A 141 3.506 -10.151 -4.111 1.00 10.04 H new ATOM 0 HB3 MET A 141 3.704 -11.206 -2.726 1.00 10.04 H new ATOM 0 HG2 MET A 141 1.741 -10.145 -1.636 1.00 34.12 H new ATOM 0 HG3 MET A 141 1.544 -9.087 -3.020 1.00 34.12 H new ATOM 0 HE1 MET A 141 0.738 -13.638 -2.915 1.00 3.01 H new ATOM 0 HE2 MET A 141 2.418 -13.104 -3.156 1.00 3.01 H new ATOM 0 HE3 MET A 141 1.550 -12.664 -1.667 1.00 3.01 H new ATOM 2066 N SER A 142 6.331 -10.081 -1.687 1.00 3.41 N ATOM 2067 CA SER A 142 7.714 -10.524 -1.765 1.00 53.10 C ATOM 2068 C SER A 142 8.710 -9.369 -1.694 1.00 50.51 C ATOM 2069 O SER A 142 9.832 -9.461 -2.203 1.00 73.34 O ATOM 2070 CB SER A 142 7.912 -11.367 -3.018 1.00 41.20 C ATOM 2071 OG SER A 142 7.028 -12.480 -3.008 1.00 4.04 O ATOM 0 H SER A 142 5.884 -10.330 -0.805 1.00 3.41 H new ATOM 0 HA SER A 142 7.918 -11.139 -0.889 1.00 53.10 H new ATOM 0 HB2 SER A 142 7.733 -10.760 -3.905 1.00 41.20 H new ATOM 0 HB3 SER A 142 8.944 -11.714 -3.072 1.00 41.20 H new ATOM 0 HG SER A 142 7.164 -13.013 -3.819 1.00 4.04 H new ATOM 2077 N LYS A 143 8.332 -8.322 -1.011 1.00 73.24 N ATOM 2078 CA LYS A 143 9.205 -7.185 -0.823 1.00 54.55 C ATOM 2079 C LYS A 143 10.072 -7.415 0.391 1.00 32.40 C ATOM 2080 O LYS A 143 9.855 -8.376 1.133 1.00 61.22 O ATOM 2081 CB LYS A 143 8.423 -5.860 -0.761 1.00 64.03 C ATOM 2082 CG LYS A 143 8.172 -5.219 -2.140 1.00 60.44 C ATOM 2083 CD LYS A 143 7.527 -6.182 -3.130 1.00 15.05 C ATOM 2084 CE LYS A 143 7.377 -5.564 -4.502 1.00 1.00 C ATOM 2085 NZ LYS A 143 6.845 -6.527 -5.501 1.00 63.41 N ATOM 0 H LYS A 143 7.417 -8.229 -0.570 1.00 73.24 H new ATOM 0 HA LYS A 143 9.858 -7.090 -1.691 1.00 54.55 H new ATOM 0 HB2 LYS A 143 7.464 -6.038 -0.274 1.00 64.03 H new ATOM 0 HB3 LYS A 143 8.972 -5.154 -0.137 1.00 64.03 H new ATOM 0 HG2 LYS A 143 7.531 -4.346 -2.019 1.00 60.44 H new ATOM 0 HG3 LYS A 143 9.118 -4.865 -2.549 1.00 60.44 H new ATOM 0 HD2 LYS A 143 8.131 -7.086 -3.203 1.00 15.05 H new ATOM 0 HD3 LYS A 143 6.547 -6.483 -2.758 1.00 15.05 H new ATOM 0 HE2 LYS A 143 6.710 -4.704 -4.439 1.00 1.00 H new ATOM 0 HE3 LYS A 143 8.345 -5.193 -4.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 143 7.041 -6.176 -6.460 1.00 63.41 H new ATOM 0 HZ2 LYS A 143 7.303 -7.451 -5.370 1.00 63.41 H new ATOM 0 HZ3 LYS A 143 5.818 -6.629 -5.373 1.00 63.41 H new