USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl -172:sc= -3.8! (180deg=-3.95!) USER MOD Set 1.2: A 84 THR OG1 : rot 49:sc= -0.453 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 77 TYR OH : rot -167:sc= 0.106 USER MOD Set 3.1: A 53 TYR OH : rot 24:sc= 0.241 USER MOD Set 3.2: A 106 GLN :FLIP amide:sc= -11.6! C(o=-13!,f=-11!) USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= -7.23! C(o=-8.7!,f=-7.5!) USER MOD Set 4.2: A 23 LYS NZ :NH3+ -150:sc= -0.256 (180deg=0) USER MOD Single : A 11 CYS SG : rot 80:sc= -2.33 USER MOD Single : A 12 HIS : no HE2:sc= -4.95! C(o=-4.9!,f=-5.1!) USER MOD Single : A 13 ASN : amide:sc= -5.8! C(o=-5.8!,f=-8.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -166:sc= -4.83! (180deg=-5.99!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.218 (180deg=-0.218) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.16) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.022 F(o=-0.58,f=-0.022) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.16) USER MOD Single : A 108 THR OG1 : rot 78:sc= -0.641 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.68! C(o=-12!,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.603 6.941 -6.644 1.00 42.31 N ATOM 54 CA GLU A 5 1.480 7.033 -7.569 1.00 14.11 C ATOM 55 C GLU A 5 1.346 8.448 -8.124 1.00 42.32 C ATOM 56 O GLU A 5 2.298 9.228 -8.102 1.00 33.22 O ATOM 57 CB GLU A 5 0.181 6.623 -6.871 1.00 61.21 C ATOM 58 CG GLU A 5 0.350 5.464 -5.903 1.00 3.11 C ATOM 59 CD GLU A 5 0.493 4.130 -6.609 1.00 71.22 C ATOM 60 OE1 GLU A 5 1.091 4.099 -7.705 1.00 32.31 O ATOM 61 OE2 GLU A 5 0.006 3.116 -6.065 1.00 42.41 O ATOM 0 HA GLU A 5 1.670 6.352 -8.399 1.00 14.11 H new ATOM 0 HB2 GLU A 5 -0.218 7.482 -6.331 1.00 61.21 H new ATOM 0 HB3 GLU A 5 -0.557 6.351 -7.626 1.00 61.21 H new ATOM 0 HG2 GLU A 5 1.229 5.639 -5.283 1.00 3.11 H new ATOM 0 HG3 GLU A 5 -0.510 5.426 -5.234 1.00 3.11 H new ATOM 68 N GLY A 6 0.157 8.772 -8.623 1.00 41.42 N ATOM 69 CA GLY A 6 -0.080 10.092 -9.178 1.00 43.30 C ATOM 70 C GLY A 6 -0.404 11.120 -8.112 1.00 33.31 C ATOM 71 O GLY A 6 -1.082 12.111 -8.381 1.00 13.51 O ATOM 0 H GLY A 6 -0.646 8.144 -8.653 1.00 41.42 H new ATOM 0 HA2 GLY A 6 0.802 10.413 -9.732 1.00 43.30 H new ATOM 0 HA3 GLY A 6 -0.903 10.041 -9.891 1.00 43.30 H new ATOM 75 N VAL A 7 0.079 10.882 -6.897 1.00 3.44 N ATOM 76 CA VAL A 7 -0.164 11.795 -5.786 1.00 24.45 C ATOM 77 C VAL A 7 1.081 12.615 -5.465 1.00 62.45 C ATOM 78 O VAL A 7 2.132 12.434 -6.081 1.00 21.34 O ATOM 79 CB VAL A 7 -0.603 11.034 -4.520 1.00 70.34 C ATOM 80 CG1 VAL A 7 -1.403 9.795 -4.893 1.00 62.31 C ATOM 81 CG2 VAL A 7 0.606 10.664 -3.675 1.00 22.51 C ATOM 0 H VAL A 7 0.641 10.065 -6.657 1.00 3.44 H new ATOM 0 HA VAL A 7 -0.966 12.464 -6.097 1.00 24.45 H new ATOM 0 HB VAL A 7 -1.245 11.687 -3.928 1.00 70.34 H new ATOM 0 HG11 VAL A 7 -1.705 9.270 -3.987 1.00 62.31 H new ATOM 0 HG12 VAL A 7 -2.290 10.090 -5.454 1.00 62.31 H new ATOM 0 HG13 VAL A 7 -0.788 9.136 -5.506 1.00 62.31 H new ATOM 0 HG21 VAL A 7 0.277 10.127 -2.785 1.00 22.51 H new ATOM 0 HG22 VAL A 7 1.275 10.029 -4.256 1.00 22.51 H new ATOM 0 HG23 VAL A 7 1.133 11.570 -3.378 1.00 22.51 H new ATOM 91 N VAL A 8 0.956 13.517 -4.498 1.00 12.41 N ATOM 92 CA VAL A 8 2.071 14.365 -4.094 1.00 42.11 C ATOM 93 C VAL A 8 3.327 13.538 -3.842 1.00 12.02 C ATOM 94 O VAL A 8 3.499 12.966 -2.765 1.00 62.33 O ATOM 95 CB VAL A 8 1.735 15.168 -2.823 1.00 73.14 C ATOM 96 CG1 VAL A 8 0.574 16.116 -3.082 1.00 50.24 C ATOM 97 CG2 VAL A 8 1.419 14.229 -1.669 1.00 4.25 C ATOM 0 H VAL A 8 0.093 13.680 -3.979 1.00 12.41 H new ATOM 0 HA VAL A 8 2.254 15.059 -4.915 1.00 42.11 H new ATOM 0 HB VAL A 8 2.606 15.764 -2.549 1.00 73.14 H new ATOM 0 HG11 VAL A 8 0.351 16.675 -2.173 1.00 50.24 H new ATOM 0 HG12 VAL A 8 0.842 16.810 -3.878 1.00 50.24 H new ATOM 0 HG13 VAL A 8 -0.304 15.543 -3.380 1.00 50.24 H new ATOM 0 HG21 VAL A 8 1.184 14.813 -0.779 1.00 4.25 H new ATOM 0 HG22 VAL A 8 0.564 13.606 -1.931 1.00 4.25 H new ATOM 0 HG23 VAL A 8 2.283 13.595 -1.469 1.00 4.25 H new ATOM 107 N ILE A 9 4.201 13.480 -4.841 1.00 11.01 N ATOM 108 CA ILE A 9 5.442 12.724 -4.726 1.00 51.15 C ATOM 109 C ILE A 9 6.179 13.069 -3.437 1.00 11.31 C ATOM 110 O ILE A 9 5.832 14.029 -2.750 1.00 12.15 O ATOM 111 CB ILE A 9 6.374 12.988 -5.924 1.00 21.23 C ATOM 112 CG1 ILE A 9 5.588 12.922 -7.235 1.00 33.15 C ATOM 113 CG2 ILE A 9 7.518 11.985 -5.935 1.00 42.10 C ATOM 114 CD1 ILE A 9 4.726 11.685 -7.361 1.00 10.23 C ATOM 0 H ILE A 9 4.073 13.947 -5.739 1.00 11.01 H new ATOM 0 HA ILE A 9 5.169 11.669 -4.713 1.00 51.15 H new ATOM 0 HB ILE A 9 6.794 13.989 -5.825 1.00 21.23 H new ATOM 0 HG12 ILE A 9 4.955 13.806 -7.315 1.00 33.15 H new ATOM 0 HG13 ILE A 9 6.287 12.954 -8.071 1.00 33.15 H new ATOM 0 HG21 ILE A 9 8.168 12.184 -6.787 1.00 42.10 H new ATOM 0 HG22 ILE A 9 8.091 12.076 -5.012 1.00 42.10 H new ATOM 0 HG23 ILE A 9 7.116 10.975 -6.014 1.00 42.10 H new ATOM 0 HD11 ILE A 9 4.198 11.705 -8.314 1.00 10.23 H new ATOM 0 HD12 ILE A 9 5.356 10.796 -7.314 1.00 10.23 H new ATOM 0 HD13 ILE A 9 4.003 11.661 -6.546 1.00 10.23 H new ATOM 126 N ALA A 10 7.199 12.281 -3.116 1.00 24.32 N ATOM 127 CA ALA A 10 7.988 12.505 -1.911 1.00 25.10 C ATOM 128 C ALA A 10 9.458 12.172 -2.147 1.00 73.30 C ATOM 129 O ALA A 10 9.875 11.022 -2.000 1.00 14.11 O ATOM 130 CB ALA A 10 7.437 11.680 -0.758 1.00 32.13 C ATOM 0 H ALA A 10 7.499 11.481 -3.674 1.00 24.32 H new ATOM 0 HA ALA A 10 7.919 13.562 -1.653 1.00 25.10 H new ATOM 0 HB1 ALA A 10 8.036 11.857 0.135 1.00 32.13 H new ATOM 0 HB2 ALA A 10 6.404 11.969 -0.565 1.00 32.13 H new ATOM 0 HB3 ALA A 10 7.476 10.622 -1.017 1.00 32.13 H new ATOM 136 N CYS A 11 10.237 13.183 -2.514 1.00 61.31 N ATOM 137 CA CYS A 11 11.661 12.996 -2.772 1.00 55.32 C ATOM 138 C CYS A 11 12.386 12.535 -1.512 1.00 52.41 C ATOM 139 O CYS A 11 11.772 12.359 -0.459 1.00 71.42 O ATOM 140 CB CYS A 11 12.281 14.296 -3.286 1.00 64.01 C ATOM 141 SG CYS A 11 13.075 15.293 -2.003 1.00 62.32 S ATOM 0 H CYS A 11 9.907 14.140 -2.640 1.00 61.31 H new ATOM 0 HA CYS A 11 11.770 12.224 -3.534 1.00 55.32 H new ATOM 0 HB2 CYS A 11 13.018 14.056 -4.053 1.00 64.01 H new ATOM 0 HB3 CYS A 11 11.504 14.892 -3.765 1.00 64.01 H new ATOM 0 HG CYS A 11 14.254 14.810 -1.746 1.00 62.32 H new ATOM 147 N HIS A 12 13.696 12.341 -1.627 1.00 73.11 N ATOM 148 CA HIS A 12 14.505 11.899 -0.497 1.00 1.11 C ATOM 149 C HIS A 12 15.968 11.746 -0.903 1.00 52.11 C ATOM 150 O HIS A 12 16.699 10.938 -0.333 1.00 31.14 O ATOM 151 CB HIS A 12 13.974 10.574 0.050 1.00 24.24 C ATOM 152 CG HIS A 12 13.795 10.569 1.537 1.00 34.23 C ATOM 153 ND1 HIS A 12 12.821 11.303 2.180 1.00 54.50 N ATOM 154 CD2 HIS A 12 14.470 9.911 2.509 1.00 42.44 C ATOM 155 CE1 HIS A 12 12.906 11.099 3.482 1.00 10.54 C ATOM 156 NE2 HIS A 12 13.899 10.258 3.708 1.00 12.12 N ATOM 0 H HIS A 12 14.220 12.483 -2.491 1.00 73.11 H new ATOM 0 HA HIS A 12 14.440 12.657 0.283 1.00 1.11 H new ATOM 0 HB2 HIS A 12 13.018 10.352 -0.424 1.00 24.24 H new ATOM 0 HB3 HIS A 12 14.661 9.774 -0.228 1.00 24.24 H new ATOM 0 HD1 HIS A 12 12.141 11.909 1.722 1.00 54.50 H new ATOM 0 HD2 HIS A 12 15.303 9.238 2.367 1.00 42.44 H new ATOM 0 HE1 HIS A 12 12.271 11.544 4.234 1.00 10.54 H new ATOM 164 N ASN A 13 16.387 12.528 -1.893 1.00 71.31 N ATOM 165 CA ASN A 13 17.762 12.478 -2.376 1.00 71.25 C ATOM 166 C ASN A 13 17.933 13.345 -3.620 1.00 3.21 C ATOM 167 O ASN A 13 18.775 13.067 -4.474 1.00 25.23 O ATOM 168 CB ASN A 13 18.163 11.035 -2.689 1.00 32.45 C ATOM 169 CG ASN A 13 17.138 10.323 -3.551 1.00 12.34 C ATOM 170 OD1 ASN A 13 16.197 9.714 -3.041 1.00 2.11 O ATOM 171 ND2 ASN A 13 17.316 10.398 -4.864 1.00 70.24 N ATOM 0 H ASN A 13 15.794 13.203 -2.376 1.00 71.31 H new ATOM 0 HA ASN A 13 18.411 12.866 -1.591 1.00 71.25 H new ATOM 0 HB2 ASN A 13 19.127 11.031 -3.198 1.00 32.45 H new ATOM 0 HB3 ASN A 13 18.293 10.487 -1.756 1.00 32.45 H new ATOM 0 HD21 ASN A 13 16.658 9.940 -5.495 1.00 70.24 H new ATOM 0 HD22 ASN A 13 18.110 10.914 -5.242 1.00 70.24 H new ATOM 178 N LYS A 14 17.129 14.399 -3.715 1.00 60.40 N ATOM 179 CA LYS A 14 17.191 15.309 -4.852 1.00 44.11 C ATOM 180 C LYS A 14 16.807 14.594 -6.144 1.00 3.15 C ATOM 181 O LYS A 14 15.741 14.841 -6.707 1.00 60.13 O ATOM 182 CB LYS A 14 18.597 15.900 -4.982 1.00 62.44 C ATOM 183 CG LYS A 14 18.951 16.322 -6.398 1.00 12.01 C ATOM 184 CD LYS A 14 19.861 17.538 -6.406 1.00 2.52 C ATOM 185 CE LYS A 14 19.202 18.732 -5.732 1.00 41.44 C ATOM 186 NZ LYS A 14 19.448 19.997 -6.480 1.00 70.52 N ATOM 0 H LYS A 14 16.426 14.644 -3.017 1.00 60.40 H new ATOM 0 HA LYS A 14 16.479 16.116 -4.679 1.00 44.11 H new ATOM 0 HB2 LYS A 14 18.681 16.764 -4.323 1.00 62.44 H new ATOM 0 HB3 LYS A 14 19.324 15.165 -4.638 1.00 62.44 H new ATOM 0 HG2 LYS A 14 19.441 15.496 -6.913 1.00 12.01 H new ATOM 0 HG3 LYS A 14 18.039 16.546 -6.951 1.00 12.01 H new ATOM 0 HD2 LYS A 14 20.794 17.299 -5.895 1.00 2.52 H new ATOM 0 HD3 LYS A 14 20.118 17.795 -7.434 1.00 2.52 H new ATOM 0 HE2 LYS A 14 18.129 18.559 -5.655 1.00 41.44 H new ATOM 0 HE3 LYS A 14 19.583 18.831 -4.716 1.00 41.44 H new ATOM 0 HZ1 LYS A 14 18.983 20.787 -5.989 1.00 70.52 H new ATOM 0 HZ2 LYS A 14 20.471 20.176 -6.532 1.00 70.52 H new ATOM 0 HZ3 LYS A 14 19.062 19.912 -7.442 1.00 70.52 H new ATOM 200 N ASP A 15 17.681 13.707 -6.606 1.00 24.15 N ATOM 201 CA ASP A 15 17.432 12.954 -7.829 1.00 62.13 C ATOM 202 C ASP A 15 15.940 12.700 -8.017 1.00 13.30 C ATOM 203 O ASP A 15 15.434 12.718 -9.139 1.00 23.33 O ATOM 204 CB ASP A 15 18.188 11.625 -7.798 1.00 61.43 C ATOM 205 CG ASP A 15 18.990 11.385 -9.063 1.00 34.34 C ATOM 206 OD1 ASP A 15 20.034 12.047 -9.237 1.00 73.12 O ATOM 207 OD2 ASP A 15 18.572 10.535 -9.878 1.00 3.50 O ATOM 0 H ASP A 15 18.569 13.492 -6.152 1.00 24.15 H new ATOM 0 HA ASP A 15 17.790 13.547 -8.670 1.00 62.13 H new ATOM 0 HB2 ASP A 15 18.858 11.612 -6.938 1.00 61.43 H new ATOM 0 HB3 ASP A 15 17.478 10.809 -7.661 1.00 61.43 H new ATOM 212 N GLU A 16 15.241 12.464 -6.911 1.00 20.10 N ATOM 213 CA GLU A 16 13.807 12.205 -6.955 1.00 73.21 C ATOM 214 C GLU A 16 13.020 13.510 -7.026 1.00 11.41 C ATOM 215 O GLU A 16 12.061 13.630 -7.789 1.00 61.30 O ATOM 216 CB GLU A 16 13.373 11.401 -5.727 1.00 41.32 C ATOM 217 CG GLU A 16 14.380 10.344 -5.305 1.00 12.30 C ATOM 218 CD GLU A 16 13.724 9.138 -4.661 1.00 51.15 C ATOM 219 OE1 GLU A 16 13.259 8.249 -5.405 1.00 53.24 O ATOM 220 OE2 GLU A 16 13.675 9.083 -3.415 1.00 64.20 O ATOM 0 H GLU A 16 15.644 12.447 -5.974 1.00 20.10 H new ATOM 0 HA GLU A 16 13.596 11.625 -7.853 1.00 73.21 H new ATOM 0 HB2 GLU A 16 13.207 12.085 -4.895 1.00 41.32 H new ATOM 0 HB3 GLU A 16 12.419 10.918 -5.938 1.00 41.32 H new ATOM 0 HG2 GLU A 16 14.949 10.021 -6.177 1.00 12.30 H new ATOM 0 HG3 GLU A 16 15.091 10.783 -4.605 1.00 12.30 H new ATOM 227 N PHE A 17 13.432 14.487 -6.224 1.00 70.14 N ATOM 228 CA PHE A 17 12.766 15.784 -6.194 1.00 74.31 C ATOM 229 C PHE A 17 12.694 16.391 -7.592 1.00 74.12 C ATOM 230 O PHE A 17 11.633 16.831 -8.036 1.00 32.14 O ATOM 231 CB PHE A 17 13.501 16.737 -5.249 1.00 74.42 C ATOM 232 CG PHE A 17 14.068 17.945 -5.938 1.00 70.42 C ATOM 233 CD1 PHE A 17 15.334 17.908 -6.499 1.00 62.33 C ATOM 234 CD2 PHE A 17 13.335 19.117 -6.024 1.00 42.51 C ATOM 235 CE1 PHE A 17 15.859 19.017 -7.134 1.00 43.53 C ATOM 236 CE2 PHE A 17 13.855 20.230 -6.658 1.00 53.12 C ATOM 237 CZ PHE A 17 15.119 20.181 -7.213 1.00 33.51 C ATOM 0 H PHE A 17 14.224 14.405 -5.586 1.00 70.14 H new ATOM 0 HA PHE A 17 11.750 15.634 -5.829 1.00 74.31 H new ATOM 0 HB2 PHE A 17 12.814 17.063 -4.468 1.00 74.42 H new ATOM 0 HB3 PHE A 17 14.309 16.196 -4.757 1.00 74.42 H new ATOM 0 HD1 PHE A 17 15.918 17.001 -6.439 1.00 62.33 H new ATOM 0 HD2 PHE A 17 12.347 19.162 -5.591 1.00 42.51 H new ATOM 0 HE1 PHE A 17 16.847 18.974 -7.568 1.00 43.53 H new ATOM 0 HE2 PHE A 17 13.273 21.138 -6.719 1.00 53.12 H new ATOM 0 HZ PHE A 17 15.528 21.050 -7.707 1.00 33.51 H new ATOM 247 N ASP A 18 13.829 16.411 -8.281 1.00 4.42 N ATOM 248 CA ASP A 18 13.896 16.964 -9.629 1.00 25.23 C ATOM 249 C ASP A 18 12.940 16.231 -10.565 1.00 23.05 C ATOM 250 O ASP A 18 12.379 16.825 -11.485 1.00 4.35 O ATOM 251 CB ASP A 18 15.325 16.876 -10.168 1.00 50.42 C ATOM 252 CG ASP A 18 16.020 18.224 -10.188 1.00 72.33 C ATOM 253 OD1 ASP A 18 15.367 19.222 -10.557 1.00 52.00 O ATOM 254 OD2 ASP A 18 17.217 18.280 -9.836 1.00 72.30 O ATOM 0 H ASP A 18 14.716 16.051 -7.929 1.00 4.42 H new ATOM 0 HA ASP A 18 13.597 18.011 -9.581 1.00 25.23 H new ATOM 0 HB2 ASP A 18 15.900 16.183 -9.554 1.00 50.42 H new ATOM 0 HB3 ASP A 18 15.305 16.466 -11.178 1.00 50.42 H new ATOM 259 N ALA A 19 12.760 14.936 -10.323 1.00 45.54 N ATOM 260 CA ALA A 19 11.872 14.123 -11.144 1.00 31.23 C ATOM 261 C ALA A 19 10.529 14.815 -11.350 1.00 73.43 C ATOM 262 O ALA A 19 9.782 14.478 -12.269 1.00 64.10 O ATOM 263 CB ALA A 19 11.671 12.755 -10.508 1.00 2.34 C ATOM 0 H ALA A 19 13.217 14.428 -9.566 1.00 45.54 H new ATOM 0 HA ALA A 19 12.338 13.993 -12.121 1.00 31.23 H new ATOM 0 HB1 ALA A 19 11.006 12.158 -11.132 1.00 2.34 H new ATOM 0 HB2 ALA A 19 12.633 12.251 -10.418 1.00 2.34 H new ATOM 0 HB3 ALA A 19 11.230 12.875 -9.518 1.00 2.34 H new ATOM 269 N GLN A 20 10.228 15.782 -10.490 1.00 32.34 N ATOM 270 CA GLN A 20 8.973 16.519 -10.578 1.00 41.21 C ATOM 271 C GLN A 20 9.209 17.934 -11.095 1.00 51.52 C ATOM 272 O GLN A 20 8.592 18.359 -12.072 1.00 3.42 O ATOM 273 CB GLN A 20 8.290 16.570 -9.211 1.00 13.44 C ATOM 274 CG GLN A 20 7.259 15.472 -9.004 1.00 50.30 C ATOM 275 CD GLN A 20 7.514 14.260 -9.878 1.00 5.20 C ATOM 276 OE1 GLN A 20 8.732 13.734 -9.820 1.00 10.24 O flip ATOM 277 NE2 GLN A 20 6.627 13.801 -10.598 1.00 45.51 N flip ATOM 0 H GLN A 20 10.836 16.074 -9.724 1.00 32.34 H new ATOM 0 HA GLN A 20 8.323 15.998 -11.281 1.00 41.21 H new ATOM 0 HB2 GLN A 20 9.049 16.496 -8.432 1.00 13.44 H new ATOM 0 HB3 GLN A 20 7.805 17.539 -9.092 1.00 13.44 H new ATOM 0 HG2 GLN A 20 7.263 15.168 -7.957 1.00 50.30 H new ATOM 0 HG3 GLN A 20 6.266 15.867 -9.217 1.00 50.30 H new ATOM 0 HE21 GLN A 20 5.705 14.237 -10.612 1.00 45.51 H new ATOM 0 HE22 GLN A 20 6.814 12.985 -11.181 1.00 45.51 H new ATOM 286 N MET A 21 10.105 18.659 -10.433 1.00 53.43 N ATOM 287 CA MET A 21 10.422 20.027 -10.827 1.00 41.24 C ATOM 288 C MET A 21 10.673 20.116 -12.329 1.00 64.23 C ATOM 289 O MET A 21 10.570 21.189 -12.925 1.00 22.13 O ATOM 290 CB MET A 21 11.648 20.529 -10.063 1.00 4.32 C ATOM 291 CG MET A 21 11.461 21.908 -9.451 1.00 54.23 C ATOM 292 SD MET A 21 10.992 21.839 -7.712 1.00 34.43 S ATOM 293 CE MET A 21 9.737 20.561 -7.750 1.00 70.22 C ATOM 0 H MET A 21 10.624 18.322 -9.622 1.00 53.43 H new ATOM 0 HA MET A 21 9.567 20.657 -10.582 1.00 41.24 H new ATOM 0 HB2 MET A 21 11.888 19.819 -9.272 1.00 4.32 H new ATOM 0 HB3 MET A 21 12.502 20.554 -10.739 1.00 4.32 H new ATOM 0 HG2 MET A 21 12.387 22.474 -9.551 1.00 54.23 H new ATOM 0 HG3 MET A 21 10.695 22.448 -10.008 1.00 54.23 H new ATOM 0 HE1 MET A 21 9.178 20.572 -6.814 1.00 70.22 H new ATOM 0 HE2 MET A 21 9.056 20.744 -8.582 1.00 70.22 H new ATOM 0 HE3 MET A 21 10.212 19.588 -7.877 1.00 70.22 H new ATOM 303 N THR A 22 11.004 18.981 -12.938 1.00 24.14 N ATOM 304 CA THR A 22 11.272 18.931 -14.369 1.00 72.04 C ATOM 305 C THR A 22 9.992 18.681 -15.159 1.00 42.34 C ATOM 306 O THR A 22 9.853 19.135 -16.295 1.00 71.15 O ATOM 307 CB THR A 22 12.296 17.832 -14.712 1.00 14.23 C ATOM 308 OG1 THR A 22 13.618 18.381 -14.722 1.00 41.03 O ATOM 309 CG2 THR A 22 11.989 17.209 -16.065 1.00 53.22 C ATOM 0 H THR A 22 11.093 18.084 -12.461 1.00 24.14 H new ATOM 0 HA THR A 22 11.685 19.901 -14.647 1.00 72.04 H new ATOM 0 HB THR A 22 12.232 17.055 -13.950 1.00 14.23 H new ATOM 0 HG1 THR A 22 14.263 17.676 -14.939 1.00 41.03 H new ATOM 0 HG21 THR A 22 12.725 16.436 -16.285 1.00 53.22 H new ATOM 0 HG22 THR A 22 10.993 16.766 -16.044 1.00 53.22 H new ATOM 0 HG23 THR A 22 12.028 17.978 -16.837 1.00 53.22 H new ATOM 317 N LYS A 23 9.059 17.957 -14.551 1.00 54.51 N ATOM 318 CA LYS A 23 7.788 17.648 -15.196 1.00 42.53 C ATOM 319 C LYS A 23 6.811 18.811 -15.058 1.00 52.43 C ATOM 320 O LYS A 23 5.596 18.623 -15.111 1.00 31.21 O ATOM 321 CB LYS A 23 7.179 16.382 -14.590 1.00 4.10 C ATOM 322 CG LYS A 23 7.400 15.138 -15.432 1.00 64.42 C ATOM 323 CD LYS A 23 8.203 14.090 -14.679 1.00 70.12 C ATOM 324 CE LYS A 23 7.438 13.560 -13.476 1.00 73.24 C ATOM 325 NZ LYS A 23 7.800 12.149 -13.166 1.00 41.11 N ATOM 0 H LYS A 23 9.159 17.573 -13.611 1.00 54.51 H new ATOM 0 HA LYS A 23 7.979 17.480 -16.256 1.00 42.53 H new ATOM 0 HB2 LYS A 23 7.606 16.221 -13.600 1.00 4.10 H new ATOM 0 HB3 LYS A 23 6.108 16.533 -14.454 1.00 4.10 H new ATOM 0 HG2 LYS A 23 6.437 14.719 -15.724 1.00 64.42 H new ATOM 0 HG3 LYS A 23 7.922 15.407 -16.350 1.00 64.42 H new ATOM 0 HD2 LYS A 23 8.446 13.265 -15.349 1.00 70.12 H new ATOM 0 HD3 LYS A 23 9.148 14.522 -14.349 1.00 70.12 H new ATOM 0 HE2 LYS A 23 7.645 14.187 -12.609 1.00 73.24 H new ATOM 0 HE3 LYS A 23 6.367 13.626 -13.669 1.00 73.24 H new ATOM 0 HZ1 LYS A 23 6.984 11.667 -12.738 1.00 41.11 H new ATOM 0 HZ2 LYS A 23 8.070 11.659 -14.043 1.00 41.11 H new ATOM 0 HZ3 LYS A 23 8.599 12.134 -12.501 1.00 41.11 H new ATOM 339 N ALA A 24 7.349 20.014 -14.883 1.00 25.41 N ATOM 340 CA ALA A 24 6.525 21.207 -14.741 1.00 73.02 C ATOM 341 C ALA A 24 6.878 22.247 -15.799 1.00 10.33 C ATOM 342 O ALA A 24 5.996 22.864 -16.397 1.00 62.22 O ATOM 343 CB ALA A 24 6.682 21.795 -13.347 1.00 20.34 C ATOM 0 H ALA A 24 8.353 20.187 -14.836 1.00 25.41 H new ATOM 0 HA ALA A 24 5.484 20.918 -14.886 1.00 73.02 H new ATOM 0 HB1 ALA A 24 6.060 22.686 -13.256 1.00 20.34 H new ATOM 0 HB2 ALA A 24 6.373 21.059 -12.605 1.00 20.34 H new ATOM 0 HB3 ALA A 24 7.726 22.062 -13.180 1.00 20.34 H new ATOM 349 N LYS A 25 8.173 22.439 -16.024 1.00 63.30 N ATOM 350 CA LYS A 25 8.644 23.404 -17.010 1.00 5.11 C ATOM 351 C LYS A 25 8.375 22.910 -18.428 1.00 33.15 C ATOM 352 O LYS A 25 8.004 23.688 -19.305 1.00 51.43 O ATOM 353 CB LYS A 25 10.141 23.664 -16.825 1.00 63.30 C ATOM 354 CG LYS A 25 10.986 22.402 -16.859 1.00 61.12 C ATOM 355 CD LYS A 25 11.928 22.329 -15.669 1.00 32.01 C ATOM 356 CE LYS A 25 12.668 23.641 -15.463 1.00 4.41 C ATOM 357 NZ LYS A 25 13.987 23.436 -14.803 1.00 4.43 N ATOM 0 H LYS A 25 8.916 21.938 -15.536 1.00 63.30 H new ATOM 0 HA LYS A 25 8.098 24.335 -16.859 1.00 5.11 H new ATOM 0 HB2 LYS A 25 10.483 24.341 -17.607 1.00 63.30 H new ATOM 0 HB3 LYS A 25 10.298 24.171 -15.873 1.00 63.30 H new ATOM 0 HG2 LYS A 25 10.335 21.527 -16.863 1.00 61.12 H new ATOM 0 HG3 LYS A 25 11.563 22.374 -17.783 1.00 61.12 H new ATOM 0 HD2 LYS A 25 11.362 22.084 -14.770 1.00 32.01 H new ATOM 0 HD3 LYS A 25 12.647 21.524 -15.822 1.00 32.01 H new ATOM 0 HE2 LYS A 25 12.816 24.130 -16.426 1.00 4.41 H new ATOM 0 HE3 LYS A 25 12.058 24.310 -14.856 1.00 4.41 H new ATOM 0 HZ1 LYS A 25 14.460 24.354 -14.680 1.00 4.43 H new ATOM 0 HZ2 LYS A 25 13.845 22.993 -13.873 1.00 4.43 H new ATOM 0 HZ3 LYS A 25 14.579 22.818 -15.394 1.00 4.43 H new ATOM 371 N GLU A 26 8.562 21.612 -18.643 1.00 23.54 N ATOM 372 CA GLU A 26 8.338 21.015 -19.954 1.00 61.11 C ATOM 373 C GLU A 26 6.890 20.558 -20.104 1.00 32.04 C ATOM 374 O GLU A 26 6.290 20.701 -21.168 1.00 73.43 O ATOM 375 CB GLU A 26 9.283 19.830 -20.168 1.00 52.55 C ATOM 376 CG GLU A 26 9.485 18.980 -18.925 1.00 50.54 C ATOM 377 CD GLU A 26 9.495 17.495 -19.230 1.00 33.04 C ATOM 378 OE1 GLU A 26 8.544 17.018 -19.885 1.00 22.04 O ATOM 379 OE2 GLU A 26 10.452 16.810 -18.813 1.00 72.31 O ATOM 0 H GLU A 26 8.868 20.954 -17.926 1.00 23.54 H new ATOM 0 HA GLU A 26 8.541 21.774 -20.709 1.00 61.11 H new ATOM 0 HB2 GLU A 26 8.889 19.202 -20.967 1.00 52.55 H new ATOM 0 HB3 GLU A 26 10.250 20.204 -20.503 1.00 52.55 H new ATOM 0 HG2 GLU A 26 10.426 19.256 -18.450 1.00 50.54 H new ATOM 0 HG3 GLU A 26 8.691 19.195 -18.209 1.00 50.54 H new ATOM 386 N ALA A 27 6.335 20.008 -19.028 1.00 63.55 N ATOM 387 CA ALA A 27 4.958 19.531 -19.039 1.00 31.23 C ATOM 388 C ALA A 27 3.978 20.687 -19.211 1.00 63.44 C ATOM 389 O ALA A 27 2.899 20.519 -19.778 1.00 44.24 O ATOM 390 CB ALA A 27 4.655 18.766 -17.759 1.00 14.12 C ATOM 0 H ALA A 27 6.818 19.882 -18.139 1.00 63.55 H new ATOM 0 HA ALA A 27 4.839 18.859 -19.889 1.00 31.23 H new ATOM 0 HB1 ALA A 27 3.623 18.415 -17.780 1.00 14.12 H new ATOM 0 HB2 ALA A 27 5.327 17.912 -17.678 1.00 14.12 H new ATOM 0 HB3 ALA A 27 4.797 19.422 -16.900 1.00 14.12 H new ATOM 396 N GLY A 28 4.362 21.860 -18.718 1.00 15.23 N ATOM 397 CA GLY A 28 3.505 23.026 -18.827 1.00 53.40 C ATOM 398 C GLY A 28 2.526 23.137 -17.675 1.00 3.15 C ATOM 399 O GLY A 28 1.374 23.529 -17.863 1.00 63.42 O ATOM 0 H GLY A 28 5.251 22.024 -18.245 1.00 15.23 H new ATOM 0 HA2 GLY A 28 4.122 23.924 -18.863 1.00 53.40 H new ATOM 0 HA3 GLY A 28 2.953 22.981 -19.766 1.00 53.40 H new ATOM 403 N LYS A 29 2.984 22.790 -16.477 1.00 21.25 N ATOM 404 CA LYS A 29 2.142 22.851 -15.288 1.00 11.22 C ATOM 405 C LYS A 29 2.890 23.493 -14.124 1.00 13.23 C ATOM 406 O LYS A 29 4.120 23.469 -14.074 1.00 34.43 O ATOM 407 CB LYS A 29 1.675 21.448 -14.896 1.00 34.43 C ATOM 408 CG LYS A 29 2.797 20.547 -14.409 1.00 73.34 C ATOM 409 CD LYS A 29 2.338 19.104 -14.283 1.00 62.42 C ATOM 410 CE LYS A 29 1.528 18.668 -15.494 1.00 53.45 C ATOM 411 NZ LYS A 29 1.576 17.193 -15.694 1.00 5.43 N ATOM 0 H LYS A 29 3.935 22.463 -16.304 1.00 21.25 H new ATOM 0 HA LYS A 29 1.272 23.465 -15.521 1.00 11.22 H new ATOM 0 HB2 LYS A 29 0.921 21.531 -14.113 1.00 34.43 H new ATOM 0 HB3 LYS A 29 1.193 20.982 -15.755 1.00 34.43 H new ATOM 0 HG2 LYS A 29 3.637 20.604 -15.101 1.00 73.34 H new ATOM 0 HG3 LYS A 29 3.156 20.901 -13.443 1.00 73.34 H new ATOM 0 HD2 LYS A 29 3.206 18.454 -14.171 1.00 62.42 H new ATOM 0 HD3 LYS A 29 1.736 18.990 -13.381 1.00 62.42 H new ATOM 0 HE2 LYS A 29 0.492 18.984 -15.370 1.00 53.45 H new ATOM 0 HE3 LYS A 29 1.909 19.167 -16.385 1.00 53.45 H new ATOM 0 HZ1 LYS A 29 1.012 16.937 -16.529 1.00 5.43 H new ATOM 0 HZ2 LYS A 29 2.562 16.894 -15.838 1.00 5.43 H new ATOM 0 HZ3 LYS A 29 1.188 16.716 -14.855 1.00 5.43 H new ATOM 425 N VAL A 30 2.139 24.066 -13.188 1.00 43.31 N ATOM 426 CA VAL A 30 2.731 24.712 -12.023 1.00 3.42 C ATOM 427 C VAL A 30 3.444 23.698 -11.135 1.00 14.42 C ATOM 428 O VAL A 30 3.198 22.496 -11.227 1.00 31.42 O ATOM 429 CB VAL A 30 1.667 25.450 -11.189 1.00 41.41 C ATOM 430 CG1 VAL A 30 1.770 25.058 -9.723 1.00 61.32 C ATOM 431 CG2 VAL A 30 1.809 26.956 -11.357 1.00 74.35 C ATOM 0 H VAL A 30 1.120 24.096 -13.214 1.00 43.31 H new ATOM 0 HA VAL A 30 3.455 25.436 -12.397 1.00 3.42 H new ATOM 0 HB VAL A 30 0.681 25.158 -11.550 1.00 41.41 H new ATOM 0 HG11 VAL A 30 1.010 25.590 -9.150 1.00 61.32 H new ATOM 0 HG12 VAL A 30 1.615 23.984 -9.622 1.00 61.32 H new ATOM 0 HG13 VAL A 30 2.758 25.319 -9.345 1.00 61.32 H new ATOM 0 HG21 VAL A 30 1.049 27.462 -10.761 1.00 74.35 H new ATOM 0 HG22 VAL A 30 2.799 27.268 -11.024 1.00 74.35 H new ATOM 0 HG23 VAL A 30 1.681 27.219 -12.407 1.00 74.35 H new ATOM 441 N VAL A 31 4.328 24.192 -10.274 1.00 13.04 N ATOM 442 CA VAL A 31 5.075 23.329 -9.367 1.00 4.33 C ATOM 443 C VAL A 31 4.683 23.585 -7.916 1.00 54.10 C ATOM 444 O VAL A 31 4.429 24.724 -7.523 1.00 2.22 O ATOM 445 CB VAL A 31 6.594 23.536 -9.520 1.00 21.11 C ATOM 446 CG1 VAL A 31 7.341 22.887 -8.364 1.00 54.42 C ATOM 447 CG2 VAL A 31 7.075 22.983 -10.853 1.00 53.11 C ATOM 0 H VAL A 31 4.544 25.185 -10.186 1.00 13.04 H new ATOM 0 HA VAL A 31 4.826 22.301 -9.632 1.00 4.33 H new ATOM 0 HB VAL A 31 6.801 24.606 -9.500 1.00 21.11 H new ATOM 0 HG11 VAL A 31 8.412 23.044 -8.489 1.00 54.42 H new ATOM 0 HG12 VAL A 31 7.016 23.334 -7.424 1.00 54.42 H new ATOM 0 HG13 VAL A 31 7.130 21.818 -8.349 1.00 54.42 H new ATOM 0 HG21 VAL A 31 8.150 23.138 -10.944 1.00 53.11 H new ATOM 0 HG22 VAL A 31 6.856 21.916 -10.905 1.00 53.11 H new ATOM 0 HG23 VAL A 31 6.564 23.498 -11.666 1.00 53.11 H new ATOM 457 N ILE A 32 4.635 22.519 -7.125 1.00 74.41 N ATOM 458 CA ILE A 32 4.274 22.628 -5.717 1.00 1.10 C ATOM 459 C ILE A 32 5.118 21.692 -4.859 1.00 61.51 C ATOM 460 O ILE A 32 4.811 20.506 -4.730 1.00 12.10 O ATOM 461 CB ILE A 32 2.784 22.310 -5.491 1.00 2.31 C ATOM 462 CG1 ILE A 32 1.918 23.091 -6.481 1.00 13.30 C ATOM 463 CG2 ILE A 32 2.385 22.634 -4.059 1.00 10.20 C ATOM 464 CD1 ILE A 32 1.253 22.218 -7.522 1.00 33.24 C ATOM 0 H ILE A 32 4.842 21.570 -7.435 1.00 74.41 H new ATOM 0 HA ILE A 32 4.465 23.660 -5.421 1.00 1.10 H new ATOM 0 HB ILE A 32 2.625 21.245 -5.660 1.00 2.31 H new ATOM 0 HG12 ILE A 32 1.150 23.634 -5.930 1.00 13.30 H new ATOM 0 HG13 ILE A 32 2.536 23.835 -6.984 1.00 13.30 H new ATOM 0 HG21 ILE A 32 1.329 22.404 -3.915 1.00 10.20 H new ATOM 0 HG22 ILE A 32 2.984 22.038 -3.371 1.00 10.20 H new ATOM 0 HG23 ILE A 32 2.556 23.693 -3.864 1.00 10.20 H new ATOM 0 HD11 ILE A 32 0.655 22.839 -8.190 1.00 33.24 H new ATOM 0 HD12 ILE A 32 2.015 21.695 -8.099 1.00 33.24 H new ATOM 0 HD13 ILE A 32 0.608 21.491 -7.029 1.00 33.24 H new ATOM 476 N ILE A 33 6.181 22.232 -4.273 1.00 64.25 N ATOM 477 CA ILE A 33 7.068 21.445 -3.425 1.00 71.02 C ATOM 478 C ILE A 33 6.746 21.655 -1.950 1.00 33.55 C ATOM 479 O ILE A 33 6.679 22.788 -1.473 1.00 24.31 O ATOM 480 CB ILE A 33 8.546 21.801 -3.672 1.00 12.20 C ATOM 481 CG1 ILE A 33 8.748 22.261 -5.117 1.00 53.13 C ATOM 482 CG2 ILE A 33 9.437 20.608 -3.361 1.00 3.34 C ATOM 483 CD1 ILE A 33 9.072 23.733 -5.243 1.00 55.32 C ATOM 0 H ILE A 33 6.449 23.211 -4.370 1.00 64.25 H new ATOM 0 HA ILE A 33 6.907 20.399 -3.685 1.00 71.02 H new ATOM 0 HB ILE A 33 8.823 22.620 -3.008 1.00 12.20 H new ATOM 0 HG12 ILE A 33 9.554 21.680 -5.565 1.00 53.13 H new ATOM 0 HG13 ILE A 33 7.845 22.046 -5.688 1.00 53.13 H new ATOM 0 HG21 ILE A 33 10.478 20.875 -3.540 1.00 3.34 H new ATOM 0 HG22 ILE A 33 9.310 20.322 -2.317 1.00 3.34 H new ATOM 0 HG23 ILE A 33 9.161 19.771 -4.003 1.00 3.34 H new ATOM 0 HD11 ILE A 33 9.202 23.988 -6.295 1.00 55.32 H new ATOM 0 HD12 ILE A 33 8.256 24.322 -4.825 1.00 55.32 H new ATOM 0 HD13 ILE A 33 9.992 23.951 -4.700 1.00 55.32 H new ATOM 495 N ASP A 34 6.548 20.555 -1.231 1.00 21.10 N ATOM 496 CA ASP A 34 6.236 20.617 0.192 1.00 12.21 C ATOM 497 C ASP A 34 7.470 20.306 1.033 1.00 34.14 C ATOM 498 O ASP A 34 7.711 19.155 1.399 1.00 54.23 O ATOM 499 CB ASP A 34 5.111 19.638 0.533 1.00 51.45 C ATOM 500 CG ASP A 34 4.601 19.813 1.949 1.00 33.24 C ATOM 501 OD1 ASP A 34 5.300 19.381 2.889 1.00 64.41 O ATOM 502 OD2 ASP A 34 3.501 20.381 2.119 1.00 62.21 O ATOM 0 H ASP A 34 6.598 19.610 -1.611 1.00 21.10 H new ATOM 0 HA ASP A 34 5.907 21.630 0.423 1.00 12.21 H new ATOM 0 HB2 ASP A 34 4.287 19.778 -0.167 1.00 51.45 H new ATOM 0 HB3 ASP A 34 5.470 18.617 0.403 1.00 51.45 H new ATOM 507 N PHE A 35 8.249 21.339 1.337 1.00 73.14 N ATOM 508 CA PHE A 35 9.459 21.176 2.133 1.00 23.41 C ATOM 509 C PHE A 35 9.128 20.634 3.521 1.00 64.13 C ATOM 510 O PHE A 35 8.021 20.153 3.765 1.00 23.11 O ATOM 511 CB PHE A 35 10.198 22.510 2.257 1.00 54.00 C ATOM 512 CG PHE A 35 11.037 22.844 1.057 1.00 4.03 C ATOM 513 CD1 PHE A 35 12.196 22.134 0.787 1.00 41.21 C ATOM 514 CD2 PHE A 35 10.668 23.868 0.200 1.00 3.33 C ATOM 515 CE1 PHE A 35 12.971 22.439 -0.316 1.00 61.34 C ATOM 516 CE2 PHE A 35 11.439 24.177 -0.905 1.00 11.14 C ATOM 517 CZ PHE A 35 12.592 23.462 -1.163 1.00 3.33 C ATOM 0 H PHE A 35 8.063 22.298 1.044 1.00 73.14 H new ATOM 0 HA PHE A 35 10.103 20.458 1.626 1.00 23.41 H new ATOM 0 HB2 PHE A 35 9.470 23.306 2.415 1.00 54.00 H new ATOM 0 HB3 PHE A 35 10.836 22.482 3.140 1.00 54.00 H new ATOM 0 HD1 PHE A 35 12.497 21.333 1.446 1.00 41.21 H new ATOM 0 HD2 PHE A 35 9.768 24.431 0.397 1.00 3.33 H new ATOM 0 HE1 PHE A 35 13.872 21.878 -0.515 1.00 61.34 H new ATOM 0 HE2 PHE A 35 11.140 24.977 -1.566 1.00 11.14 H new ATOM 0 HZ PHE A 35 13.196 23.702 -2.025 1.00 3.33 H new ATOM 527 N THR A 36 10.097 20.715 4.428 1.00 61.23 N ATOM 528 CA THR A 36 9.911 20.232 5.790 1.00 31.11 C ATOM 529 C THR A 36 11.250 20.042 6.494 1.00 53.01 C ATOM 530 O THR A 36 12.243 19.670 5.869 1.00 34.35 O ATOM 531 CB THR A 36 9.138 18.900 5.813 1.00 22.41 C ATOM 532 OG1 THR A 36 9.364 18.224 7.055 1.00 21.41 O ATOM 533 CG2 THR A 36 9.566 18.006 4.659 1.00 53.04 C ATOM 0 H THR A 36 11.019 21.111 4.243 1.00 61.23 H new ATOM 0 HA THR A 36 9.331 20.989 6.317 1.00 31.11 H new ATOM 0 HB THR A 36 8.076 19.120 5.707 1.00 22.41 H new ATOM 0 HG1 THR A 36 8.868 17.379 7.063 1.00 21.41 H new ATOM 0 HG21 THR A 36 9.007 17.071 4.696 1.00 53.04 H new ATOM 0 HG22 THR A 36 9.366 18.511 3.714 1.00 53.04 H new ATOM 0 HG23 THR A 36 10.632 17.794 4.739 1.00 53.04 H new ATOM 629 N ARG A 44 -0.949 14.360 9.128 1.00 3.33 N ATOM 630 CA ARG A 44 -2.005 13.439 9.528 1.00 74.42 C ATOM 631 C ARG A 44 -3.381 14.016 9.207 1.00 3.41 C ATOM 632 O ARG A 44 -4.211 13.359 8.579 1.00 63.13 O ATOM 633 CB ARG A 44 -1.905 13.132 11.023 1.00 34.12 C ATOM 634 CG ARG A 44 -0.773 12.181 11.376 1.00 73.25 C ATOM 635 CD ARG A 44 -1.038 11.462 12.689 1.00 1.34 C ATOM 636 NE ARG A 44 -1.069 12.385 13.821 1.00 33.11 N ATOM 637 CZ ARG A 44 -0.861 12.012 15.079 1.00 43.41 C ATOM 638 NH1 ARG A 44 -0.607 10.743 15.364 1.00 24.24 N ATOM 639 NH2 ARG A 44 -0.906 12.911 16.054 1.00 23.24 N ATOM 0 HA ARG A 44 -1.878 12.514 8.965 1.00 74.42 H new ATOM 0 HB2 ARG A 44 -1.767 14.066 11.568 1.00 34.12 H new ATOM 0 HB3 ARG A 44 -2.848 12.702 11.361 1.00 34.12 H new ATOM 0 HG2 ARG A 44 -0.649 11.449 10.578 1.00 73.25 H new ATOM 0 HG3 ARG A 44 0.162 12.737 11.447 1.00 73.25 H new ATOM 0 HD2 ARG A 44 -1.989 10.932 12.627 1.00 1.34 H new ATOM 0 HD3 ARG A 44 -0.265 10.712 12.854 1.00 1.34 H new ATOM 0 HE ARG A 44 -1.261 13.369 13.635 1.00 33.11 H new ATOM 0 HH11 ARG A 44 -0.571 10.050 14.617 1.00 24.24 H new ATOM 0 HH12 ARG A 44 -0.448 10.459 16.331 1.00 24.24 H new ATOM 0 HH21 ARG A 44 -1.100 13.889 15.838 1.00 23.24 H new ATOM 0 HH22 ARG A 44 -0.746 12.624 17.020 1.00 23.24 H new ATOM 653 N PHE A 45 -3.615 15.250 9.643 1.00 32.53 N ATOM 654 CA PHE A 45 -4.890 15.916 9.404 1.00 33.42 C ATOM 655 C PHE A 45 -4.994 16.388 7.957 1.00 73.41 C ATOM 656 O PHE A 45 -6.014 16.183 7.298 1.00 14.22 O ATOM 657 CB PHE A 45 -5.055 17.104 10.353 1.00 3.43 C ATOM 658 CG PHE A 45 -6.333 17.865 10.146 1.00 75.51 C ATOM 659 CD1 PHE A 45 -7.548 17.321 10.531 1.00 13.13 C ATOM 660 CD2 PHE A 45 -6.321 19.122 9.565 1.00 3.51 C ATOM 661 CE1 PHE A 45 -8.727 18.018 10.342 1.00 1.03 C ATOM 662 CE2 PHE A 45 -7.496 19.824 9.374 1.00 42.30 C ATOM 663 CZ PHE A 45 -8.701 19.271 9.762 1.00 65.11 C ATOM 0 H PHE A 45 -2.938 15.808 10.163 1.00 32.53 H new ATOM 0 HA PHE A 45 -5.688 15.197 9.591 1.00 33.42 H new ATOM 0 HB2 PHE A 45 -5.018 16.745 11.381 1.00 3.43 H new ATOM 0 HB3 PHE A 45 -4.212 17.783 10.222 1.00 3.43 H new ATOM 0 HD1 PHE A 45 -7.574 16.341 10.984 1.00 13.13 H new ATOM 0 HD2 PHE A 45 -5.382 19.559 9.258 1.00 3.51 H new ATOM 0 HE1 PHE A 45 -9.667 17.583 10.648 1.00 1.03 H new ATOM 0 HE2 PHE A 45 -7.472 20.804 8.922 1.00 42.30 H new ATOM 0 HZ PHE A 45 -9.621 19.817 9.612 1.00 65.11 H new ATOM 673 N ILE A 46 -3.932 17.020 7.469 1.00 13.15 N ATOM 674 CA ILE A 46 -3.903 17.521 6.101 1.00 75.32 C ATOM 675 C ILE A 46 -3.304 16.490 5.151 1.00 64.32 C ATOM 676 O ILE A 46 -3.279 16.690 3.937 1.00 61.31 O ATOM 677 CB ILE A 46 -3.097 18.829 5.997 1.00 70.33 C ATOM 678 CG1 ILE A 46 -3.611 19.679 4.833 1.00 11.23 C ATOM 679 CG2 ILE A 46 -1.616 18.526 5.824 1.00 31.54 C ATOM 680 CD1 ILE A 46 -3.684 21.156 5.151 1.00 51.32 C ATOM 0 H ILE A 46 -3.080 17.197 8.001 1.00 13.15 H new ATOM 0 HA ILE A 46 -4.936 17.718 5.815 1.00 75.32 H new ATOM 0 HB ILE A 46 -3.228 19.393 6.920 1.00 70.33 H new ATOM 0 HG12 ILE A 46 -2.960 19.533 3.971 1.00 11.23 H new ATOM 0 HG13 ILE A 46 -4.602 19.328 4.547 1.00 11.23 H new ATOM 0 HG21 ILE A 46 -1.059 19.460 5.752 1.00 31.54 H new ATOM 0 HG22 ILE A 46 -1.259 17.956 6.682 1.00 31.54 H new ATOM 0 HG23 ILE A 46 -1.467 17.944 4.914 1.00 31.54 H new ATOM 0 HD11 ILE A 46 -4.056 21.697 4.281 1.00 51.32 H new ATOM 0 HD12 ILE A 46 -4.358 21.314 5.993 1.00 51.32 H new ATOM 0 HD13 ILE A 46 -2.690 21.522 5.408 1.00 51.32 H new ATOM 692 N ALA A 47 -2.822 15.385 5.712 1.00 13.42 N ATOM 693 CA ALA A 47 -2.226 14.321 4.915 1.00 30.20 C ATOM 694 C ALA A 47 -3.113 13.961 3.728 1.00 40.42 C ATOM 695 O ALA A 47 -2.671 13.929 2.579 1.00 21.12 O ATOM 696 CB ALA A 47 -1.973 13.093 5.778 1.00 13.51 C ATOM 0 H ALA A 47 -2.833 15.204 6.716 1.00 13.42 H new ATOM 0 HA ALA A 47 -1.273 14.682 4.527 1.00 30.20 H new ATOM 0 HB1 ALA A 47 -1.528 12.306 5.169 1.00 13.51 H new ATOM 0 HB2 ALA A 47 -1.293 13.353 6.590 1.00 13.51 H new ATOM 0 HB3 ALA A 47 -2.917 12.740 6.194 1.00 13.51 H new ATOM 702 N PRO A 48 -4.395 13.684 4.008 1.00 21.14 N ATOM 703 CA PRO A 48 -5.371 13.322 2.976 1.00 23.52 C ATOM 704 C PRO A 48 -5.721 14.498 2.071 1.00 32.24 C ATOM 705 O PRO A 48 -6.523 14.365 1.147 1.00 50.34 O ATOM 706 CB PRO A 48 -6.595 12.884 3.784 1.00 54.53 C ATOM 707 CG PRO A 48 -6.466 13.599 5.085 1.00 72.15 C ATOM 708 CD PRO A 48 -4.991 13.703 5.355 1.00 44.11 C ATOM 0 HA PRO A 48 -4.989 12.553 2.305 1.00 23.52 H new ATOM 0 HB2 PRO A 48 -7.521 13.151 3.276 1.00 54.53 H new ATOM 0 HB3 PRO A 48 -6.610 11.803 3.926 1.00 54.53 H new ATOM 0 HG2 PRO A 48 -6.924 14.587 5.035 1.00 72.15 H new ATOM 0 HG3 PRO A 48 -6.971 13.053 5.882 1.00 72.15 H new ATOM 0 HD2 PRO A 48 -4.744 14.620 5.891 1.00 44.11 H new ATOM 0 HD3 PRO A 48 -4.634 12.872 5.964 1.00 44.11 H new ATOM 716 N VAL A 49 -5.115 15.649 2.343 1.00 0.15 N ATOM 717 CA VAL A 49 -5.362 16.849 1.553 1.00 71.24 C ATOM 718 C VAL A 49 -4.277 17.046 0.500 1.00 51.20 C ATOM 719 O VAL A 49 -4.563 17.405 -0.642 1.00 54.05 O ATOM 720 CB VAL A 49 -5.432 18.104 2.443 1.00 33.52 C ATOM 721 CG1 VAL A 49 -4.353 19.100 2.049 1.00 64.33 C ATOM 722 CG2 VAL A 49 -6.812 18.739 2.360 1.00 42.13 C ATOM 0 H VAL A 49 -4.449 15.776 3.105 1.00 0.15 H new ATOM 0 HA VAL A 49 -6.324 16.710 1.059 1.00 71.24 H new ATOM 0 HB VAL A 49 -5.256 17.805 3.476 1.00 33.52 H new ATOM 0 HG11 VAL A 49 -4.419 19.980 2.689 1.00 64.33 H new ATOM 0 HG12 VAL A 49 -3.372 18.639 2.166 1.00 64.33 H new ATOM 0 HG13 VAL A 49 -4.493 19.396 1.009 1.00 64.33 H new ATOM 0 HG21 VAL A 49 -6.844 19.624 2.995 1.00 42.13 H new ATOM 0 HG22 VAL A 49 -7.020 19.024 1.329 1.00 42.13 H new ATOM 0 HG23 VAL A 49 -7.562 18.024 2.697 1.00 42.13 H new ATOM 732 N PHE A 50 -3.030 16.809 0.892 1.00 2.12 N ATOM 733 CA PHE A 50 -1.900 16.961 -0.018 1.00 13.14 C ATOM 734 C PHE A 50 -1.980 15.950 -1.158 1.00 14.22 C ATOM 735 O PHE A 50 -2.296 16.303 -2.293 1.00 52.35 O ATOM 736 CB PHE A 50 -0.582 16.790 0.739 1.00 23.34 C ATOM 737 CG PHE A 50 -0.381 17.802 1.831 1.00 61.03 C ATOM 738 CD1 PHE A 50 -1.127 18.969 1.857 1.00 54.11 C ATOM 739 CD2 PHE A 50 0.554 17.586 2.830 1.00 13.45 C ATOM 740 CE1 PHE A 50 -0.944 19.902 2.860 1.00 40.55 C ATOM 741 CE2 PHE A 50 0.741 18.516 3.836 1.00 42.10 C ATOM 742 CZ PHE A 50 -0.009 19.675 3.851 1.00 55.21 C ATOM 0 H PHE A 50 -2.776 16.511 1.834 1.00 2.12 H new ATOM 0 HA PHE A 50 -1.940 17.964 -0.442 1.00 13.14 H new ATOM 0 HB2 PHE A 50 -0.548 15.790 1.171 1.00 23.34 H new ATOM 0 HB3 PHE A 50 0.245 16.861 0.033 1.00 23.34 H new ATOM 0 HD1 PHE A 50 -1.860 19.152 1.085 1.00 54.11 H new ATOM 0 HD2 PHE A 50 1.143 16.681 2.823 1.00 13.45 H new ATOM 0 HE1 PHE A 50 -1.532 20.808 2.869 1.00 40.55 H new ATOM 0 HE2 PHE A 50 1.473 18.336 4.609 1.00 42.10 H new ATOM 0 HZ PHE A 50 0.135 20.403 4.636 1.00 55.21 H new ATOM 752 N ALA A 51 -1.691 14.691 -0.846 1.00 13.24 N ATOM 753 CA ALA A 51 -1.732 13.628 -1.842 1.00 44.44 C ATOM 754 C ALA A 51 -2.994 13.721 -2.693 1.00 42.31 C ATOM 755 O ALA A 51 -2.926 13.721 -3.922 1.00 1.04 O ATOM 756 CB ALA A 51 -1.647 12.268 -1.167 1.00 31.32 C ATOM 0 H ALA A 51 -1.426 14.382 0.089 1.00 13.24 H new ATOM 0 HA ALA A 51 -0.872 13.748 -2.501 1.00 44.44 H new ATOM 0 HB1 ALA A 51 -1.679 11.484 -1.923 1.00 31.32 H new ATOM 0 HB2 ALA A 51 -0.713 12.196 -0.609 1.00 31.32 H new ATOM 0 HB3 ALA A 51 -2.488 12.148 -0.484 1.00 31.32 H new ATOM 762 N GLU A 52 -4.144 13.800 -2.031 1.00 21.11 N ATOM 763 CA GLU A 52 -5.421 13.892 -2.728 1.00 73.41 C ATOM 764 C GLU A 52 -5.426 15.066 -3.703 1.00 30.32 C ATOM 765 O GLU A 52 -5.961 14.967 -4.808 1.00 3.34 O ATOM 766 CB GLU A 52 -6.566 14.043 -1.724 1.00 42.41 C ATOM 767 CG GLU A 52 -6.843 15.485 -1.331 1.00 32.44 C ATOM 768 CD GLU A 52 -8.152 15.643 -0.582 1.00 54.43 C ATOM 769 OE1 GLU A 52 -9.029 14.766 -0.729 1.00 30.11 O ATOM 770 OE2 GLU A 52 -8.301 16.644 0.149 1.00 3.42 O ATOM 0 H GLU A 52 -4.217 13.802 -1.014 1.00 21.11 H new ATOM 0 HA GLU A 52 -5.563 12.972 -3.294 1.00 73.41 H new ATOM 0 HB2 GLU A 52 -7.471 13.611 -2.150 1.00 42.41 H new ATOM 0 HB3 GLU A 52 -6.330 13.469 -0.828 1.00 42.41 H new ATOM 0 HG2 GLU A 52 -6.026 15.852 -0.709 1.00 32.44 H new ATOM 0 HG3 GLU A 52 -6.864 16.105 -2.228 1.00 32.44 H new ATOM 777 N TYR A 53 -4.827 16.176 -3.285 1.00 75.44 N ATOM 778 CA TYR A 53 -4.765 17.370 -4.119 1.00 42.12 C ATOM 779 C TYR A 53 -3.905 17.127 -5.356 1.00 75.31 C ATOM 780 O TYR A 53 -4.312 17.430 -6.477 1.00 44.33 O ATOM 781 CB TYR A 53 -4.205 18.547 -3.319 1.00 42.31 C ATOM 782 CG TYR A 53 -5.190 19.132 -2.333 1.00 11.34 C ATOM 783 CD1 TYR A 53 -6.500 18.673 -2.274 1.00 53.14 C ATOM 784 CD2 TYR A 53 -4.812 20.145 -1.460 1.00 25.34 C ATOM 785 CE1 TYR A 53 -7.404 19.205 -1.375 1.00 73.12 C ATOM 786 CE2 TYR A 53 -5.708 20.681 -0.556 1.00 53.33 C ATOM 787 CZ TYR A 53 -7.003 20.208 -0.518 1.00 54.40 C ATOM 788 OH TYR A 53 -7.900 20.741 0.379 1.00 11.44 O ATOM 0 H TYR A 53 -4.378 16.273 -2.374 1.00 75.44 H new ATOM 0 HA TYR A 53 -5.778 17.608 -4.444 1.00 42.12 H new ATOM 0 HB2 TYR A 53 -3.316 18.219 -2.780 1.00 42.31 H new ATOM 0 HB3 TYR A 53 -3.889 19.328 -4.011 1.00 42.31 H new ATOM 0 HD1 TYR A 53 -6.817 17.886 -2.943 1.00 53.14 H new ATOM 0 HD2 TYR A 53 -3.800 20.520 -1.489 1.00 25.34 H new ATOM 0 HE1 TYR A 53 -8.419 18.837 -1.344 1.00 73.12 H new ATOM 0 HE2 TYR A 53 -5.396 21.466 0.117 1.00 53.33 H new ATOM 0 HH TYR A 53 -8.611 20.090 0.556 1.00 11.44 H new ATOM 798 N ALA A 54 -2.715 16.576 -5.142 1.00 71.33 N ATOM 799 CA ALA A 54 -1.798 16.288 -6.239 1.00 15.25 C ATOM 800 C ALA A 54 -2.545 15.737 -7.449 1.00 13.44 C ATOM 801 O ALA A 54 -2.290 16.139 -8.584 1.00 74.43 O ATOM 802 CB ALA A 54 -0.726 15.308 -5.787 1.00 32.14 C ATOM 0 H ALA A 54 -2.363 16.320 -4.220 1.00 71.33 H new ATOM 0 HA ALA A 54 -1.320 17.222 -6.535 1.00 15.25 H new ATOM 0 HB1 ALA A 54 -0.049 15.102 -6.616 1.00 32.14 H new ATOM 0 HB2 ALA A 54 -0.165 15.739 -4.958 1.00 32.14 H new ATOM 0 HB3 ALA A 54 -1.195 14.379 -5.463 1.00 32.14 H new ATOM 808 N LYS A 55 -3.469 14.815 -7.199 1.00 4.14 N ATOM 809 CA LYS A 55 -4.254 14.209 -8.267 1.00 62.41 C ATOM 810 C LYS A 55 -5.421 15.108 -8.662 1.00 63.15 C ATOM 811 O LYS A 55 -5.686 15.314 -9.847 1.00 45.20 O ATOM 812 CB LYS A 55 -4.777 12.839 -7.829 1.00 33.02 C ATOM 813 CG LYS A 55 -3.717 11.959 -7.189 1.00 75.11 C ATOM 814 CD LYS A 55 -4.339 10.885 -6.313 1.00 33.34 C ATOM 815 CE LYS A 55 -5.279 9.991 -7.108 1.00 65.00 C ATOM 816 NZ LYS A 55 -4.593 8.764 -7.599 1.00 62.24 N ATOM 0 H LYS A 55 -3.692 14.471 -6.265 1.00 4.14 H new ATOM 0 HA LYS A 55 -3.606 14.083 -9.134 1.00 62.41 H new ATOM 0 HB2 LYS A 55 -5.595 12.981 -7.122 1.00 33.02 H new ATOM 0 HB3 LYS A 55 -5.190 12.323 -8.696 1.00 33.02 H new ATOM 0 HG2 LYS A 55 -3.113 11.491 -7.967 1.00 75.11 H new ATOM 0 HG3 LYS A 55 -3.045 12.574 -6.590 1.00 75.11 H new ATOM 0 HD2 LYS A 55 -3.552 10.279 -5.864 1.00 33.34 H new ATOM 0 HD3 LYS A 55 -4.886 11.353 -5.495 1.00 33.34 H new ATOM 0 HE2 LYS A 55 -6.126 9.708 -6.483 1.00 65.00 H new ATOM 0 HE3 LYS A 55 -5.679 10.547 -7.956 1.00 65.00 H new ATOM 0 HZ1 LYS A 55 -5.266 8.181 -8.136 1.00 62.24 H new ATOM 0 HZ2 LYS A 55 -3.800 9.033 -8.215 1.00 62.24 H new ATOM 0 HZ3 LYS A 55 -4.233 8.220 -6.789 1.00 62.24 H new ATOM 830 N LYS A 56 -6.115 15.642 -7.663 1.00 41.14 N ATOM 831 CA LYS A 56 -7.252 16.522 -7.906 1.00 0.01 C ATOM 832 C LYS A 56 -6.852 17.697 -8.793 1.00 23.50 C ATOM 833 O LYS A 56 -7.671 18.230 -9.540 1.00 55.45 O ATOM 834 CB LYS A 56 -7.815 17.039 -6.580 1.00 42.11 C ATOM 835 CG LYS A 56 -8.589 15.992 -5.798 1.00 62.01 C ATOM 836 CD LYS A 56 -9.939 16.520 -5.344 1.00 53.23 C ATOM 837 CE LYS A 56 -9.786 17.656 -4.344 1.00 31.42 C ATOM 838 NZ LYS A 56 -10.530 17.387 -3.082 1.00 1.10 N ATOM 0 H LYS A 56 -5.910 15.481 -6.677 1.00 41.14 H new ATOM 0 HA LYS A 56 -8.021 15.946 -8.421 1.00 0.01 H new ATOM 0 HB2 LYS A 56 -6.994 17.406 -5.965 1.00 42.11 H new ATOM 0 HB3 LYS A 56 -8.469 17.888 -6.779 1.00 42.11 H new ATOM 0 HG2 LYS A 56 -8.733 15.107 -6.418 1.00 62.01 H new ATOM 0 HG3 LYS A 56 -8.008 15.682 -4.930 1.00 62.01 H new ATOM 0 HD2 LYS A 56 -10.504 16.869 -6.209 1.00 53.23 H new ATOM 0 HD3 LYS A 56 -10.514 15.711 -4.893 1.00 53.23 H new ATOM 0 HE2 LYS A 56 -8.730 17.802 -4.119 1.00 31.42 H new ATOM 0 HE3 LYS A 56 -10.148 18.583 -4.789 1.00 31.42 H new ATOM 0 HZ1 LYS A 56 -10.401 18.184 -2.426 1.00 1.10 H new ATOM 0 HZ2 LYS A 56 -11.542 17.273 -3.293 1.00 1.10 H new ATOM 0 HZ3 LYS A 56 -10.167 16.516 -2.644 1.00 1.10 H new ATOM 852 N PHE A 57 -5.586 18.093 -8.706 1.00 54.33 N ATOM 853 CA PHE A 57 -5.077 19.205 -9.502 1.00 34.53 C ATOM 854 C PHE A 57 -4.095 18.711 -10.560 1.00 73.20 C ATOM 855 O PHE A 57 -2.881 18.701 -10.360 1.00 5.33 O ATOM 856 CB PHE A 57 -4.397 20.236 -8.599 1.00 65.34 C ATOM 857 CG PHE A 57 -5.342 21.261 -8.042 1.00 4.41 C ATOM 858 CD1 PHE A 57 -5.640 22.409 -8.758 1.00 55.12 C ATOM 859 CD2 PHE A 57 -5.931 21.078 -6.801 1.00 63.12 C ATOM 860 CE1 PHE A 57 -6.510 23.355 -8.248 1.00 71.22 C ATOM 861 CE2 PHE A 57 -6.801 22.020 -6.286 1.00 73.15 C ATOM 862 CZ PHE A 57 -7.090 23.160 -7.010 1.00 54.32 C ATOM 0 H PHE A 57 -4.894 17.661 -8.093 1.00 54.33 H new ATOM 0 HA PHE A 57 -5.921 19.675 -10.007 1.00 34.53 H new ATOM 0 HB2 PHE A 57 -3.908 19.718 -7.774 1.00 65.34 H new ATOM 0 HB3 PHE A 57 -3.616 20.743 -9.165 1.00 65.34 H new ATOM 0 HD1 PHE A 57 -5.187 22.567 -9.726 1.00 55.12 H new ATOM 0 HD2 PHE A 57 -5.708 20.189 -6.230 1.00 63.12 H new ATOM 0 HE1 PHE A 57 -6.736 24.245 -8.817 1.00 71.22 H new ATOM 0 HE2 PHE A 57 -7.255 21.865 -5.318 1.00 73.15 H new ATOM 0 HZ PHE A 57 -7.769 23.898 -6.609 1.00 54.32 H new ATOM 872 N PRO A 58 -4.633 18.290 -11.715 1.00 24.24 N ATOM 873 CA PRO A 58 -3.822 17.787 -12.828 1.00 34.31 C ATOM 874 C PRO A 58 -3.007 18.889 -13.496 1.00 30.42 C ATOM 875 O PRO A 58 -2.225 18.629 -14.409 1.00 22.40 O ATOM 876 CB PRO A 58 -4.864 17.228 -13.800 1.00 60.15 C ATOM 877 CG PRO A 58 -6.110 17.986 -13.498 1.00 40.51 C ATOM 878 CD PRO A 58 -6.073 18.273 -12.022 1.00 45.05 C ATOM 0 HA PRO A 58 -3.088 17.052 -12.498 1.00 34.31 H new ATOM 0 HB2 PRO A 58 -4.555 17.370 -14.836 1.00 60.15 H new ATOM 0 HB3 PRO A 58 -5.007 16.157 -13.654 1.00 60.15 H new ATOM 0 HG2 PRO A 58 -6.154 18.910 -14.074 1.00 40.51 H new ATOM 0 HG3 PRO A 58 -6.994 17.405 -13.760 1.00 40.51 H new ATOM 0 HD2 PRO A 58 -6.546 19.226 -11.786 1.00 45.05 H new ATOM 0 HD3 PRO A 58 -6.597 17.507 -11.450 1.00 45.05 H new ATOM 886 N GLY A 59 -3.195 20.121 -13.033 1.00 52.04 N ATOM 887 CA GLY A 59 -2.470 21.244 -13.598 1.00 24.12 C ATOM 888 C GLY A 59 -1.173 21.524 -12.865 1.00 23.35 C ATOM 889 O GLY A 59 -0.579 22.589 -13.025 1.00 2.51 O ATOM 0 H GLY A 59 -3.836 20.361 -12.277 1.00 52.04 H new ATOM 0 HA2 GLY A 59 -2.255 21.043 -14.647 1.00 24.12 H new ATOM 0 HA3 GLY A 59 -3.101 22.133 -13.567 1.00 24.12 H new ATOM 893 N ALA A 60 -0.733 20.565 -12.056 1.00 71.11 N ATOM 894 CA ALA A 60 0.502 20.713 -11.296 1.00 15.23 C ATOM 895 C ALA A 60 1.219 19.376 -11.148 1.00 45.02 C ATOM 896 O ALA A 60 0.661 18.323 -11.457 1.00 24.13 O ATOM 897 CB ALA A 60 0.210 21.312 -9.928 1.00 21.24 C ATOM 0 H ALA A 60 -1.214 19.677 -11.910 1.00 71.11 H new ATOM 0 HA ALA A 60 1.159 21.388 -11.844 1.00 15.23 H new ATOM 0 HB1 ALA A 60 1.141 21.417 -9.371 1.00 21.24 H new ATOM 0 HB2 ALA A 60 -0.252 22.292 -10.051 1.00 21.24 H new ATOM 0 HB3 ALA A 60 -0.468 20.657 -9.381 1.00 21.24 H new ATOM 903 N VAL A 61 2.461 19.425 -10.675 1.00 52.02 N ATOM 904 CA VAL A 61 3.255 18.217 -10.486 1.00 43.15 C ATOM 905 C VAL A 61 3.222 17.759 -9.033 1.00 35.31 C ATOM 906 O VAL A 61 3.234 16.561 -8.748 1.00 0.01 O ATOM 907 CB VAL A 61 4.720 18.437 -10.910 1.00 73.43 C ATOM 908 CG1 VAL A 61 4.822 18.584 -12.421 1.00 3.33 C ATOM 909 CG2 VAL A 61 5.301 19.654 -10.207 1.00 32.44 C ATOM 0 H VAL A 61 2.938 20.288 -10.416 1.00 52.02 H new ATOM 0 HA VAL A 61 2.813 17.446 -11.117 1.00 43.15 H new ATOM 0 HB VAL A 61 5.301 17.564 -10.614 1.00 73.43 H new ATOM 0 HG11 VAL A 61 5.864 18.739 -12.702 1.00 3.33 H new ATOM 0 HG12 VAL A 61 4.447 17.680 -12.901 1.00 3.33 H new ATOM 0 HG13 VAL A 61 4.228 19.439 -12.744 1.00 3.33 H new ATOM 0 HG21 VAL A 61 6.336 19.794 -10.518 1.00 32.44 H new ATOM 0 HG22 VAL A 61 4.720 20.538 -10.470 1.00 32.44 H new ATOM 0 HG23 VAL A 61 5.264 19.503 -9.128 1.00 32.44 H new ATOM 919 N PHE A 62 3.178 18.720 -8.116 1.00 63.31 N ATOM 920 CA PHE A 62 3.143 18.415 -6.690 1.00 41.24 C ATOM 921 C PHE A 62 4.335 17.551 -6.289 1.00 72.34 C ATOM 922 O PHE A 62 4.947 16.889 -7.129 1.00 1.22 O ATOM 923 CB PHE A 62 1.838 17.702 -6.332 1.00 13.13 C ATOM 924 CG PHE A 62 0.627 18.586 -6.424 1.00 11.14 C ATOM 925 CD1 PHE A 62 0.018 18.825 -7.645 1.00 63.01 C ATOM 926 CD2 PHE A 62 0.098 19.179 -5.288 1.00 73.33 C ATOM 927 CE1 PHE A 62 -1.096 19.638 -7.733 1.00 73.32 C ATOM 928 CE2 PHE A 62 -1.017 19.992 -5.370 1.00 62.22 C ATOM 929 CZ PHE A 62 -1.614 20.223 -6.594 1.00 62.31 C ATOM 0 H PHE A 62 3.166 19.716 -8.335 1.00 63.31 H new ATOM 0 HA PHE A 62 3.198 19.355 -6.141 1.00 41.24 H new ATOM 0 HB2 PHE A 62 1.706 16.848 -6.996 1.00 13.13 H new ATOM 0 HB3 PHE A 62 1.915 17.308 -5.318 1.00 13.13 H new ATOM 0 HD1 PHE A 62 0.419 18.370 -8.539 1.00 63.01 H new ATOM 0 HD2 PHE A 62 0.562 19.004 -4.329 1.00 73.33 H new ATOM 0 HE1 PHE A 62 -1.561 19.816 -8.691 1.00 73.32 H new ATOM 0 HE2 PHE A 62 -1.421 20.446 -4.477 1.00 62.22 H new ATOM 0 HZ PHE A 62 -2.484 20.860 -6.660 1.00 62.31 H new ATOM 939 N LEU A 63 4.659 17.562 -5.001 1.00 72.41 N ATOM 940 CA LEU A 63 5.778 16.779 -4.487 1.00 13.31 C ATOM 941 C LEU A 63 6.261 17.333 -3.150 1.00 52.44 C ATOM 942 O LEU A 63 6.184 18.536 -2.900 1.00 43.53 O ATOM 943 CB LEU A 63 6.928 16.774 -5.495 1.00 72.24 C ATOM 944 CG LEU A 63 8.337 16.697 -4.906 1.00 73.23 C ATOM 945 CD1 LEU A 63 8.970 15.349 -5.213 1.00 25.33 C ATOM 946 CD2 LEU A 63 9.201 17.829 -5.442 1.00 24.31 C ATOM 0 H LEU A 63 4.163 18.104 -4.293 1.00 72.41 H new ATOM 0 HA LEU A 63 5.434 15.756 -4.333 1.00 13.31 H new ATOM 0 HB2 LEU A 63 6.791 15.928 -6.168 1.00 72.24 H new ATOM 0 HB3 LEU A 63 6.858 17.678 -6.100 1.00 72.24 H new ATOM 0 HG LEU A 63 8.265 16.803 -3.824 1.00 73.23 H new ATOM 0 HD11 LEU A 63 9.972 15.312 -4.786 1.00 25.33 H new ATOM 0 HD12 LEU A 63 8.362 14.555 -4.780 1.00 25.33 H new ATOM 0 HD13 LEU A 63 9.030 15.213 -6.293 1.00 25.33 H new ATOM 0 HD21 LEU A 63 10.200 17.759 -5.012 1.00 24.31 H new ATOM 0 HD22 LEU A 63 9.267 17.754 -6.527 1.00 24.31 H new ATOM 0 HD23 LEU A 63 8.756 18.786 -5.171 1.00 24.31 H new ATOM 958 N LYS A 64 6.761 16.448 -2.295 1.00 14.11 N ATOM 959 CA LYS A 64 7.260 16.848 -0.985 1.00 23.54 C ATOM 960 C LYS A 64 8.772 16.661 -0.899 1.00 33.55 C ATOM 961 O LYS A 64 9.309 15.650 -1.351 1.00 61.34 O ATOM 962 CB LYS A 64 6.572 16.036 0.115 1.00 10.45 C ATOM 963 CG LYS A 64 7.498 15.062 0.823 1.00 41.12 C ATOM 964 CD LYS A 64 6.721 14.071 1.673 1.00 51.21 C ATOM 965 CE LYS A 64 5.535 13.495 0.914 1.00 43.21 C ATOM 966 NZ LYS A 64 5.075 12.206 1.500 1.00 71.11 N ATOM 0 H LYS A 64 6.831 15.448 -2.486 1.00 14.11 H new ATOM 0 HA LYS A 64 7.033 17.905 -0.844 1.00 23.54 H new ATOM 0 HB2 LYS A 64 6.149 16.721 0.850 1.00 10.45 H new ATOM 0 HB3 LYS A 64 5.740 15.482 -0.320 1.00 10.45 H new ATOM 0 HG2 LYS A 64 8.092 14.523 0.086 1.00 41.12 H new ATOM 0 HG3 LYS A 64 8.196 15.614 1.453 1.00 41.12 H new ATOM 0 HD2 LYS A 64 7.381 13.262 1.986 1.00 51.21 H new ATOM 0 HD3 LYS A 64 6.370 14.564 2.579 1.00 51.21 H new ATOM 0 HE2 LYS A 64 4.714 14.212 0.924 1.00 43.21 H new ATOM 0 HE3 LYS A 64 5.811 13.342 -0.129 1.00 43.21 H new ATOM 0 HZ1 LYS A 64 4.266 11.846 0.955 1.00 71.11 H new ATOM 0 HZ2 LYS A 64 5.850 11.513 1.467 1.00 71.11 H new ATOM 0 HZ3 LYS A 64 4.787 12.357 2.488 1.00 71.11 H new ATOM 980 N VAL A 65 9.452 17.641 -0.313 1.00 64.13 N ATOM 981 CA VAL A 65 10.902 17.583 -0.165 1.00 72.14 C ATOM 982 C VAL A 65 11.307 17.639 1.303 1.00 1.41 C ATOM 983 O VAL A 65 10.591 18.199 2.134 1.00 24.32 O ATOM 984 CB VAL A 65 11.590 18.735 -0.921 1.00 54.32 C ATOM 985 CG1 VAL A 65 13.079 18.761 -0.615 1.00 2.13 C ATOM 986 CG2 VAL A 65 11.347 18.610 -2.418 1.00 11.23 C ATOM 0 H VAL A 65 9.023 18.485 0.067 1.00 64.13 H new ATOM 0 HA VAL A 65 11.226 16.634 -0.592 1.00 72.14 H new ATOM 0 HB VAL A 65 11.158 19.677 -0.583 1.00 54.32 H new ATOM 0 HG11 VAL A 65 13.548 19.582 -1.158 1.00 2.13 H new ATOM 0 HG12 VAL A 65 13.228 18.902 0.455 1.00 2.13 H new ATOM 0 HG13 VAL A 65 13.530 17.818 -0.923 1.00 2.13 H new ATOM 0 HG21 VAL A 65 11.840 19.432 -2.937 1.00 11.23 H new ATOM 0 HG22 VAL A 65 11.751 17.662 -2.774 1.00 11.23 H new ATOM 0 HG23 VAL A 65 10.276 18.646 -2.617 1.00 11.23 H new ATOM 996 N ASP A 66 12.459 17.057 1.616 1.00 45.22 N ATOM 997 CA ASP A 66 12.962 17.042 2.985 1.00 51.43 C ATOM 998 C ASP A 66 14.206 17.915 3.116 1.00 3.03 C ATOM 999 O ASP A 66 15.261 17.597 2.568 1.00 65.40 O ATOM 1000 CB ASP A 66 13.280 15.611 3.418 1.00 32.54 C ATOM 1001 CG ASP A 66 13.383 15.471 4.925 1.00 53.24 C ATOM 1002 OD1 ASP A 66 12.695 16.230 5.639 1.00 33.04 O ATOM 1003 OD2 ASP A 66 14.151 14.603 5.388 1.00 34.25 O ATOM 0 H ASP A 66 13.063 16.589 0.940 1.00 45.22 H new ATOM 0 HA ASP A 66 12.186 17.446 3.636 1.00 51.43 H new ATOM 0 HB2 ASP A 66 12.505 14.941 3.046 1.00 32.54 H new ATOM 0 HB3 ASP A 66 14.219 15.297 2.962 1.00 32.54 H new ATOM 1008 N VAL A 67 14.075 19.018 3.846 1.00 12.14 N ATOM 1009 CA VAL A 67 15.188 19.937 4.050 1.00 2.22 C ATOM 1010 C VAL A 67 16.132 19.425 5.133 1.00 41.55 C ATOM 1011 O VAL A 67 16.745 20.209 5.857 1.00 4.41 O ATOM 1012 CB VAL A 67 14.692 21.342 4.440 1.00 50.34 C ATOM 1013 CG1 VAL A 67 13.497 21.742 3.588 1.00 73.31 C ATOM 1014 CG2 VAL A 67 14.343 21.393 5.919 1.00 22.44 C ATOM 0 H VAL A 67 13.208 19.297 4.306 1.00 12.14 H new ATOM 0 HA VAL A 67 15.725 19.999 3.103 1.00 2.22 H new ATOM 0 HB VAL A 67 15.495 22.055 4.255 1.00 50.34 H new ATOM 0 HG11 VAL A 67 13.160 22.737 3.878 1.00 73.31 H new ATOM 0 HG12 VAL A 67 13.785 21.748 2.537 1.00 73.31 H new ATOM 0 HG13 VAL A 67 12.688 21.027 3.738 1.00 73.31 H new ATOM 0 HG21 VAL A 67 13.995 22.393 6.176 1.00 22.44 H new ATOM 0 HG22 VAL A 67 13.557 20.669 6.133 1.00 22.44 H new ATOM 0 HG23 VAL A 67 15.227 21.154 6.510 1.00 22.44 H new ATOM 1024 N ASP A 68 16.244 18.106 5.236 1.00 22.12 N ATOM 1025 CA ASP A 68 17.115 17.488 6.230 1.00 42.25 C ATOM 1026 C ASP A 68 18.086 16.514 5.570 1.00 43.00 C ATOM 1027 O ASP A 68 19.050 16.067 6.192 1.00 54.52 O ATOM 1028 CB ASP A 68 16.283 16.761 7.287 1.00 61.01 C ATOM 1029 CG ASP A 68 16.769 17.037 8.696 1.00 13.03 C ATOM 1030 OD1 ASP A 68 17.643 16.288 9.180 1.00 21.14 O ATOM 1031 OD2 ASP A 68 16.275 18.003 9.315 1.00 71.40 O ATOM 0 H ASP A 68 15.743 17.444 4.644 1.00 22.12 H new ATOM 0 HA ASP A 68 17.692 18.277 6.713 1.00 42.25 H new ATOM 0 HB2 ASP A 68 15.241 17.067 7.199 1.00 61.01 H new ATOM 0 HB3 ASP A 68 16.317 15.688 7.098 1.00 61.01 H new ATOM 1036 N GLU A 69 17.825 16.189 4.308 1.00 74.31 N ATOM 1037 CA GLU A 69 18.675 15.266 3.566 1.00 61.34 C ATOM 1038 C GLU A 69 19.139 15.890 2.253 1.00 62.34 C ATOM 1039 O GLU A 69 20.234 15.601 1.767 1.00 31.24 O ATOM 1040 CB GLU A 69 17.927 13.960 3.286 1.00 1.42 C ATOM 1041 CG GLU A 69 16.735 14.128 2.359 1.00 45.34 C ATOM 1042 CD GLU A 69 15.781 12.952 2.417 1.00 73.34 C ATOM 1043 OE1 GLU A 69 16.262 11.801 2.474 1.00 34.45 O ATOM 1044 OE2 GLU A 69 14.553 13.182 2.404 1.00 64.42 O ATOM 0 H GLU A 69 17.032 16.551 3.778 1.00 74.31 H new ATOM 0 HA GLU A 69 19.552 15.050 4.176 1.00 61.34 H new ATOM 0 HB2 GLU A 69 18.619 13.242 2.847 1.00 1.42 H new ATOM 0 HB3 GLU A 69 17.585 13.537 4.231 1.00 1.42 H new ATOM 0 HG2 GLU A 69 16.199 15.039 2.624 1.00 45.34 H new ATOM 0 HG3 GLU A 69 17.090 14.253 1.336 1.00 45.34 H new ATOM 1051 N LEU A 70 18.299 16.746 1.682 1.00 2.22 N ATOM 1052 CA LEU A 70 18.622 17.412 0.425 1.00 73.23 C ATOM 1053 C LEU A 70 18.361 18.912 0.520 1.00 22.30 C ATOM 1054 O LEU A 70 18.144 19.581 -0.490 1.00 61.35 O ATOM 1055 CB LEU A 70 17.801 16.812 -0.718 1.00 32.41 C ATOM 1056 CG LEU A 70 16.364 17.317 -0.849 1.00 75.32 C ATOM 1057 CD1 LEU A 70 15.849 17.101 -2.264 1.00 20.11 C ATOM 1058 CD2 LEU A 70 15.460 16.623 0.160 1.00 3.44 C ATOM 0 H LEU A 70 17.389 16.995 2.069 1.00 2.22 H new ATOM 0 HA LEU A 70 19.682 17.259 0.223 1.00 73.23 H new ATOM 0 HB2 LEU A 70 18.321 17.010 -1.655 1.00 32.41 H new ATOM 0 HB3 LEU A 70 17.774 15.730 -0.590 1.00 32.41 H new ATOM 0 HG LEU A 70 16.355 18.387 -0.640 1.00 75.32 H new ATOM 0 HD11 LEU A 70 14.825 17.466 -2.338 1.00 20.11 H new ATOM 0 HD12 LEU A 70 16.480 17.644 -2.968 1.00 20.11 H new ATOM 0 HD13 LEU A 70 15.873 16.037 -2.501 1.00 20.11 H new ATOM 0 HD21 LEU A 70 14.441 16.995 0.052 1.00 3.44 H new ATOM 0 HD22 LEU A 70 15.474 15.548 -0.018 1.00 3.44 H new ATOM 0 HD23 LEU A 70 15.816 16.829 1.169 1.00 3.44 H new ATOM 1070 N LYS A 71 18.386 19.435 1.741 1.00 23.21 N ATOM 1071 CA LYS A 71 18.157 20.856 1.970 1.00 54.42 C ATOM 1072 C LYS A 71 18.673 21.686 0.799 1.00 5.41 C ATOM 1073 O LYS A 71 18.079 22.701 0.436 1.00 23.04 O ATOM 1074 CB LYS A 71 18.839 21.302 3.265 1.00 14.32 C ATOM 1075 CG LYS A 71 19.822 20.285 3.816 1.00 22.43 C ATOM 1076 CD LYS A 71 21.057 20.958 4.392 1.00 32.54 C ATOM 1077 CE LYS A 71 22.099 21.223 3.317 1.00 5.34 C ATOM 1078 NZ LYS A 71 22.937 22.412 3.639 1.00 53.23 N ATOM 0 H LYS A 71 18.563 18.895 2.588 1.00 23.21 H new ATOM 0 HA LYS A 71 17.082 21.015 2.060 1.00 54.42 H new ATOM 0 HB2 LYS A 71 19.363 22.241 3.085 1.00 14.32 H new ATOM 0 HB3 LYS A 71 18.076 21.502 4.017 1.00 14.32 H new ATOM 0 HG2 LYS A 71 19.336 19.690 4.590 1.00 22.43 H new ATOM 0 HG3 LYS A 71 20.118 19.597 3.024 1.00 22.43 H new ATOM 0 HD2 LYS A 71 20.773 21.898 4.865 1.00 32.54 H new ATOM 0 HD3 LYS A 71 21.487 20.327 5.170 1.00 32.54 H new ATOM 0 HE2 LYS A 71 22.738 20.347 3.207 1.00 5.34 H new ATOM 0 HE3 LYS A 71 21.602 21.377 2.359 1.00 5.34 H new ATOM 0 HZ1 LYS A 71 23.689 22.510 2.927 1.00 53.23 H new ATOM 0 HZ2 LYS A 71 22.344 23.266 3.636 1.00 53.23 H new ATOM 0 HZ3 LYS A 71 23.365 22.291 4.579 1.00 53.23 H new ATOM 1092 N GLU A 72 19.782 21.247 0.212 1.00 63.02 N ATOM 1093 CA GLU A 72 20.377 21.950 -0.919 1.00 3.25 C ATOM 1094 C GLU A 72 19.299 22.566 -1.805 1.00 72.02 C ATOM 1095 O GLU A 72 19.518 23.594 -2.446 1.00 64.45 O ATOM 1096 CB GLU A 72 21.246 20.996 -1.741 1.00 40.31 C ATOM 1097 CG GLU A 72 20.446 20.056 -2.627 1.00 24.53 C ATOM 1098 CD GLU A 72 21.145 18.728 -2.848 1.00 40.02 C ATOM 1099 OE1 GLU A 72 22.378 18.731 -3.042 1.00 45.12 O ATOM 1100 OE2 GLU A 72 20.457 17.686 -2.827 1.00 63.30 O ATOM 0 H GLU A 72 20.286 20.409 0.500 1.00 63.02 H new ATOM 0 HA GLU A 72 21.002 22.752 -0.527 1.00 3.25 H new ATOM 0 HB2 GLU A 72 21.924 21.580 -2.364 1.00 40.31 H new ATOM 0 HB3 GLU A 72 21.864 20.406 -1.064 1.00 40.31 H new ATOM 0 HG2 GLU A 72 19.470 19.878 -2.175 1.00 24.53 H new ATOM 0 HG3 GLU A 72 20.268 20.534 -3.590 1.00 24.53 H new ATOM 1107 N VAL A 73 18.132 21.929 -1.837 1.00 2.55 N ATOM 1108 CA VAL A 73 17.019 22.414 -2.643 1.00 75.34 C ATOM 1109 C VAL A 73 16.321 23.589 -1.968 1.00 42.44 C ATOM 1110 O VAL A 73 16.056 24.612 -2.599 1.00 44.40 O ATOM 1111 CB VAL A 73 15.987 21.299 -2.903 1.00 2.51 C ATOM 1112 CG1 VAL A 73 14.777 21.853 -3.639 1.00 73.01 C ATOM 1113 CG2 VAL A 73 16.621 20.159 -3.684 1.00 62.24 C ATOM 0 H VAL A 73 17.934 21.076 -1.314 1.00 2.55 H new ATOM 0 HA VAL A 73 17.437 22.742 -3.595 1.00 75.34 H new ATOM 0 HB VAL A 73 15.650 20.908 -1.943 1.00 2.51 H new ATOM 0 HG11 VAL A 73 14.059 21.052 -3.814 1.00 73.01 H new ATOM 0 HG12 VAL A 73 14.311 22.633 -3.037 1.00 73.01 H new ATOM 0 HG13 VAL A 73 15.093 22.272 -4.594 1.00 73.01 H new ATOM 0 HG21 VAL A 73 15.878 19.380 -3.859 1.00 62.24 H new ATOM 0 HG22 VAL A 73 16.987 20.533 -4.640 1.00 62.24 H new ATOM 0 HG23 VAL A 73 17.453 19.746 -3.114 1.00 62.24 H new ATOM 1123 N ALA A 74 16.027 23.436 -0.682 1.00 14.04 N ATOM 1124 CA ALA A 74 15.362 24.486 0.080 1.00 2.04 C ATOM 1125 C ALA A 74 16.247 25.722 0.199 1.00 41.33 C ATOM 1126 O ALA A 74 15.751 26.841 0.330 1.00 63.24 O ATOM 1127 CB ALA A 74 14.980 23.974 1.461 1.00 14.43 C ATOM 0 H ALA A 74 16.239 22.595 -0.145 1.00 14.04 H new ATOM 0 HA ALA A 74 14.455 24.770 -0.454 1.00 2.04 H new ATOM 0 HB1 ALA A 74 14.484 24.768 2.019 1.00 14.43 H new ATOM 0 HB2 ALA A 74 14.304 23.125 1.360 1.00 14.43 H new ATOM 0 HB3 ALA A 74 15.878 23.662 1.994 1.00 14.43 H new ATOM 1133 N GLU A 75 17.559 25.512 0.152 1.00 10.14 N ATOM 1134 CA GLU A 75 18.512 26.611 0.256 1.00 21.21 C ATOM 1135 C GLU A 75 18.426 27.523 -0.964 1.00 72.13 C ATOM 1136 O GLU A 75 18.742 28.711 -0.890 1.00 33.41 O ATOM 1137 CB GLU A 75 19.935 26.069 0.402 1.00 65.55 C ATOM 1138 CG GLU A 75 20.062 24.959 1.432 1.00 12.21 C ATOM 1139 CD GLU A 75 21.342 25.056 2.239 1.00 31.23 C ATOM 1140 OE1 GLU A 75 22.335 25.601 1.714 1.00 22.25 O ATOM 1141 OE2 GLU A 75 21.350 24.586 3.397 1.00 55.15 O ATOM 0 H GLU A 75 17.986 24.592 0.043 1.00 10.14 H new ATOM 0 HA GLU A 75 18.260 27.194 1.142 1.00 21.21 H new ATOM 0 HB2 GLU A 75 20.274 25.696 -0.565 1.00 65.55 H new ATOM 0 HB3 GLU A 75 20.600 26.887 0.679 1.00 65.55 H new ATOM 0 HG2 GLU A 75 19.207 24.996 2.107 1.00 12.21 H new ATOM 0 HG3 GLU A 75 20.028 23.994 0.927 1.00 12.21 H new ATOM 1148 N LYS A 76 17.996 26.959 -2.088 1.00 22.21 N ATOM 1149 CA LYS A 76 17.867 27.719 -3.325 1.00 71.04 C ATOM 1150 C LYS A 76 16.592 28.556 -3.319 1.00 11.31 C ATOM 1151 O LYS A 76 16.555 29.653 -3.877 1.00 4.32 O ATOM 1152 CB LYS A 76 17.864 26.775 -4.530 1.00 15.00 C ATOM 1153 CG LYS A 76 16.475 26.313 -4.937 1.00 10.20 C ATOM 1154 CD LYS A 76 16.516 24.953 -5.613 1.00 54.01 C ATOM 1155 CE LYS A 76 16.096 25.043 -7.072 1.00 53.23 C ATOM 1156 NZ LYS A 76 15.849 23.699 -7.663 1.00 31.55 N ATOM 0 H LYS A 76 17.731 25.977 -2.167 1.00 22.21 H new ATOM 0 HA LYS A 76 18.722 28.391 -3.400 1.00 71.04 H new ATOM 0 HB2 LYS A 76 18.333 27.278 -5.376 1.00 15.00 H new ATOM 0 HB3 LYS A 76 18.475 25.902 -4.299 1.00 15.00 H new ATOM 0 HG2 LYS A 76 15.834 26.264 -4.056 1.00 10.20 H new ATOM 0 HG3 LYS A 76 16.031 27.043 -5.613 1.00 10.20 H new ATOM 0 HD2 LYS A 76 17.524 24.543 -5.548 1.00 54.01 H new ATOM 0 HD3 LYS A 76 15.857 24.263 -5.085 1.00 54.01 H new ATOM 0 HE2 LYS A 76 15.192 25.647 -7.153 1.00 53.23 H new ATOM 0 HE3 LYS A 76 16.872 25.553 -7.642 1.00 53.23 H new ATOM 0 HZ1 LYS A 76 15.565 23.804 -8.658 1.00 31.55 H new ATOM 0 HZ2 LYS A 76 16.719 23.131 -7.609 1.00 31.55 H new ATOM 0 HZ3 LYS A 76 15.091 23.222 -7.135 1.00 31.55 H new ATOM 1170 N TYR A 77 15.549 28.033 -2.684 1.00 4.15 N ATOM 1171 CA TYR A 77 14.272 28.732 -2.605 1.00 43.33 C ATOM 1172 C TYR A 77 14.176 29.549 -1.320 1.00 61.12 C ATOM 1173 O TYR A 77 13.348 30.451 -1.206 1.00 10.42 O ATOM 1174 CB TYR A 77 13.115 27.734 -2.676 1.00 43.34 C ATOM 1175 CG TYR A 77 13.045 26.981 -3.985 1.00 64.52 C ATOM 1176 CD1 TYR A 77 13.384 27.597 -5.184 1.00 21.54 C ATOM 1177 CD2 TYR A 77 12.641 25.652 -4.023 1.00 64.52 C ATOM 1178 CE1 TYR A 77 13.321 26.912 -6.382 1.00 32.24 C ATOM 1179 CE2 TYR A 77 12.577 24.958 -5.216 1.00 55.55 C ATOM 1180 CZ TYR A 77 12.917 25.593 -6.393 1.00 13.01 C ATOM 1181 OH TYR A 77 12.854 24.907 -7.584 1.00 52.02 O ATOM 0 H TYR A 77 15.563 27.127 -2.216 1.00 4.15 H new ATOM 0 HA TYR A 77 14.207 29.414 -3.453 1.00 43.33 H new ATOM 0 HB2 TYR A 77 13.213 27.018 -1.860 1.00 43.34 H new ATOM 0 HB3 TYR A 77 12.177 28.267 -2.522 1.00 43.34 H new ATOM 0 HD1 TYR A 77 13.702 28.629 -5.179 1.00 21.54 H new ATOM 0 HD2 TYR A 77 12.372 25.153 -3.104 1.00 64.52 H new ATOM 0 HE1 TYR A 77 13.587 27.406 -7.305 1.00 32.24 H new ATOM 0 HE2 TYR A 77 12.263 23.925 -5.227 1.00 55.55 H new ATOM 0 HH TYR A 77 12.357 24.072 -7.455 1.00 52.02 H new ATOM 1191 N ASN A 78 15.031 29.225 -0.355 1.00 72.45 N ATOM 1192 CA ASN A 78 15.044 29.927 0.922 1.00 15.24 C ATOM 1193 C ASN A 78 13.833 29.541 1.767 1.00 3.34 C ATOM 1194 O ASN A 78 12.903 30.330 1.936 1.00 4.34 O ATOM 1195 CB ASN A 78 15.060 31.440 0.696 1.00 10.30 C ATOM 1196 CG ASN A 78 15.422 32.209 1.952 1.00 13.02 C ATOM 1197 OD1 ASN A 78 16.480 31.775 2.627 1.00 2.14 O flip ATOM 1198 ND2 ASN A 78 14.757 33.181 2.311 1.00 43.53 N flip ATOM 0 H ASN A 78 15.724 28.480 -0.434 1.00 72.45 H new ATOM 0 HA ASN A 78 15.947 29.637 1.459 1.00 15.24 H new ATOM 0 HB2 ASN A 78 15.774 31.679 -0.092 1.00 10.30 H new ATOM 0 HB3 ASN A 78 14.079 31.763 0.346 1.00 10.30 H new ATOM 0 HD21 ASN A 78 13.951 33.479 1.761 1.00 43.53 H new ATOM 0 HD22 ASN A 78 15.012 33.688 3.159 1.00 43.53 H new ATOM 1246 N MET A 82 10.929 24.403 7.015 1.00 45.41 N ATOM 1247 CA MET A 82 9.500 24.320 7.291 1.00 50.21 C ATOM 1248 C MET A 82 8.767 23.614 6.155 1.00 41.24 C ATOM 1249 O MET A 82 9.292 23.450 5.053 1.00 55.42 O ATOM 1250 CB MET A 82 8.917 25.719 7.498 1.00 15.22 C ATOM 1251 CG MET A 82 9.952 26.756 7.903 1.00 63.25 C ATOM 1252 SD MET A 82 9.847 28.263 6.919 1.00 13.41 S ATOM 1253 CE MET A 82 9.797 27.584 5.262 1.00 13.25 C ATOM 0 HA MET A 82 9.365 23.739 8.203 1.00 50.21 H new ATOM 0 HB2 MET A 82 8.433 26.042 6.576 1.00 15.22 H new ATOM 0 HB3 MET A 82 8.143 25.671 8.264 1.00 15.22 H new ATOM 0 HG2 MET A 82 9.819 27.004 8.956 1.00 63.25 H new ATOM 0 HG3 MET A 82 10.949 26.328 7.800 1.00 63.25 H new ATOM 0 HE1 MET A 82 9.875 28.392 4.535 1.00 13.25 H new ATOM 0 HE2 MET A 82 10.629 26.893 5.127 1.00 13.25 H new ATOM 0 HE3 MET A 82 8.857 27.053 5.115 1.00 13.25 H new ATOM 1263 N PRO A 83 7.526 23.185 6.426 1.00 14.21 N ATOM 1264 CA PRO A 83 6.695 22.490 5.439 1.00 55.13 C ATOM 1265 C PRO A 83 6.235 23.413 4.315 1.00 64.21 C ATOM 1266 O PRO A 83 5.272 23.116 3.607 1.00 20.15 O ATOM 1267 CB PRO A 83 5.495 22.009 6.260 1.00 43.53 C ATOM 1268 CG PRO A 83 5.419 22.956 7.408 1.00 73.32 C ATOM 1269 CD PRO A 83 6.837 23.346 7.718 1.00 42.31 C ATOM 0 HA PRO A 83 7.239 21.686 4.943 1.00 55.13 H new ATOM 0 HB2 PRO A 83 4.579 22.027 5.670 1.00 43.53 H new ATOM 0 HB3 PRO A 83 5.634 20.983 6.601 1.00 43.53 H new ATOM 0 HG2 PRO A 83 4.821 23.831 7.153 1.00 73.32 H new ATOM 0 HG3 PRO A 83 4.946 22.486 8.271 1.00 73.32 H new ATOM 0 HD2 PRO A 83 6.901 24.371 8.082 1.00 42.31 H new ATOM 0 HD3 PRO A 83 7.271 22.707 8.487 1.00 42.31 H new ATOM 1277 N THR A 84 6.931 24.534 4.155 1.00 50.53 N ATOM 1278 CA THR A 84 6.594 25.501 3.117 1.00 2.13 C ATOM 1279 C THR A 84 6.301 24.806 1.793 1.00 40.24 C ATOM 1280 O THR A 84 7.113 24.024 1.298 1.00 74.25 O ATOM 1281 CB THR A 84 7.730 26.520 2.909 1.00 41.30 C ATOM 1282 OG1 THR A 84 7.367 27.782 3.480 1.00 53.43 O ATOM 1283 CG2 THR A 84 8.035 26.696 1.429 1.00 53.20 C ATOM 0 H THR A 84 7.731 24.795 4.731 1.00 50.53 H new ATOM 0 HA THR A 84 5.701 26.028 3.453 1.00 2.13 H new ATOM 0 HB THR A 84 8.623 26.141 3.405 1.00 41.30 H new ATOM 0 HG1 THR A 84 7.035 27.645 4.392 1.00 53.43 H new ATOM 0 HG21 THR A 84 8.840 27.420 1.307 1.00 53.20 H new ATOM 0 HG22 THR A 84 8.340 25.740 1.004 1.00 53.20 H new ATOM 0 HG23 THR A 84 7.144 27.054 0.914 1.00 53.20 H new ATOM 1291 N PHE A 85 5.137 25.097 1.222 1.00 14.01 N ATOM 1292 CA PHE A 85 4.736 24.499 -0.046 1.00 42.44 C ATOM 1293 C PHE A 85 5.273 25.310 -1.223 1.00 34.33 C ATOM 1294 O PHE A 85 4.546 25.601 -2.174 1.00 30.22 O ATOM 1295 CB PHE A 85 3.211 24.404 -0.131 1.00 4.40 C ATOM 1296 CG PHE A 85 2.699 22.993 -0.151 1.00 70.31 C ATOM 1297 CD1 PHE A 85 3.009 22.144 -1.202 1.00 12.22 C ATOM 1298 CD2 PHE A 85 1.908 22.514 0.881 1.00 71.13 C ATOM 1299 CE1 PHE A 85 2.538 20.845 -1.223 1.00 52.01 C ATOM 1300 CE2 PHE A 85 1.434 21.215 0.865 1.00 3.51 C ATOM 1301 CZ PHE A 85 1.751 20.380 -0.188 1.00 33.32 C ATOM 0 H PHE A 85 4.454 25.744 1.618 1.00 14.01 H new ATOM 0 HA PHE A 85 5.158 23.495 -0.095 1.00 42.44 H new ATOM 0 HB2 PHE A 85 2.774 24.929 0.719 1.00 4.40 H new ATOM 0 HB3 PHE A 85 2.872 24.918 -1.031 1.00 4.40 H new ATOM 0 HD1 PHE A 85 3.625 22.502 -2.013 1.00 12.22 H new ATOM 0 HD2 PHE A 85 1.659 23.163 1.708 1.00 71.13 H new ATOM 0 HE1 PHE A 85 2.785 20.194 -2.048 1.00 52.01 H new ATOM 0 HE2 PHE A 85 0.817 20.854 1.675 1.00 3.51 H new ATOM 0 HZ PHE A 85 1.384 19.364 -0.202 1.00 33.32 H new ATOM 1311 N LEU A 86 6.549 25.672 -1.151 1.00 32.31 N ATOM 1312 CA LEU A 86 7.184 26.449 -2.209 1.00 42.31 C ATOM 1313 C LEU A 86 6.586 26.108 -3.570 1.00 30.20 C ATOM 1314 O LEU A 86 6.208 24.964 -3.824 1.00 54.12 O ATOM 1315 CB LEU A 86 8.692 26.192 -2.223 1.00 20.11 C ATOM 1316 CG LEU A 86 9.580 27.418 -2.436 1.00 4.11 C ATOM 1317 CD1 LEU A 86 8.977 28.338 -3.486 1.00 2.32 C ATOM 1318 CD2 LEU A 86 9.784 28.163 -1.125 1.00 3.22 C ATOM 0 H LEU A 86 7.164 25.440 -0.371 1.00 32.31 H new ATOM 0 HA LEU A 86 7.003 27.505 -2.008 1.00 42.31 H new ATOM 0 HB2 LEU A 86 8.970 25.727 -1.277 1.00 20.11 H new ATOM 0 HB3 LEU A 86 8.910 25.469 -3.009 1.00 20.11 H new ATOM 0 HG LEU A 86 10.553 27.081 -2.794 1.00 4.11 H new ATOM 0 HD11 LEU A 86 9.623 29.205 -3.624 1.00 2.32 H new ATOM 0 HD12 LEU A 86 8.884 27.801 -4.430 1.00 2.32 H new ATOM 0 HD13 LEU A 86 7.992 28.668 -3.158 1.00 2.32 H new ATOM 0 HD21 LEU A 86 10.419 29.033 -1.296 1.00 3.22 H new ATOM 0 HD22 LEU A 86 8.819 28.489 -0.737 1.00 3.22 H new ATOM 0 HD23 LEU A 86 10.261 27.502 -0.401 1.00 3.22 H new ATOM 1330 N PHE A 87 6.505 27.107 -4.443 1.00 24.14 N ATOM 1331 CA PHE A 87 5.954 26.912 -5.779 1.00 5.33 C ATOM 1332 C PHE A 87 6.952 27.351 -6.847 1.00 74.23 C ATOM 1333 O PHE A 87 7.626 28.371 -6.701 1.00 32.32 O ATOM 1334 CB PHE A 87 4.648 27.693 -5.933 1.00 52.23 C ATOM 1335 CG PHE A 87 3.511 27.123 -5.135 1.00 34.03 C ATOM 1336 CD1 PHE A 87 3.495 27.229 -3.753 1.00 64.52 C ATOM 1337 CD2 PHE A 87 2.457 26.482 -5.765 1.00 74.05 C ATOM 1338 CE1 PHE A 87 2.451 26.704 -3.016 1.00 74.02 C ATOM 1339 CE2 PHE A 87 1.409 25.956 -5.034 1.00 33.34 C ATOM 1340 CZ PHE A 87 1.405 26.068 -3.657 1.00 64.11 C ATOM 0 H PHE A 87 6.814 28.060 -4.249 1.00 24.14 H new ATOM 0 HA PHE A 87 5.751 25.849 -5.911 1.00 5.33 H new ATOM 0 HB2 PHE A 87 4.814 28.726 -5.628 1.00 52.23 H new ATOM 0 HB3 PHE A 87 4.368 27.713 -6.986 1.00 52.23 H new ATOM 0 HD1 PHE A 87 4.308 27.728 -3.246 1.00 64.52 H new ATOM 0 HD2 PHE A 87 2.454 26.392 -6.841 1.00 74.05 H new ATOM 0 HE1 PHE A 87 2.452 26.791 -1.939 1.00 74.02 H new ATOM 0 HE2 PHE A 87 0.594 25.458 -5.538 1.00 33.34 H new ATOM 0 HZ PHE A 87 0.586 25.660 -3.083 1.00 64.11 H new ATOM 1350 N ILE A 88 7.039 26.573 -7.921 1.00 23.22 N ATOM 1351 CA ILE A 88 7.953 26.881 -9.014 1.00 70.50 C ATOM 1352 C ILE A 88 7.221 26.905 -10.352 1.00 2.54 C ATOM 1353 O ILE A 88 7.357 25.990 -11.164 1.00 4.31 O ATOM 1354 CB ILE A 88 9.104 25.860 -9.090 1.00 73.32 C ATOM 1355 CG1 ILE A 88 9.639 25.556 -7.689 1.00 52.12 C ATOM 1356 CG2 ILE A 88 10.217 26.382 -9.986 1.00 54.14 C ATOM 1357 CD1 ILE A 88 10.357 26.724 -7.050 1.00 51.24 C ATOM 0 H ILE A 88 6.488 25.725 -8.057 1.00 23.22 H new ATOM 0 HA ILE A 88 8.367 27.869 -8.811 1.00 70.50 H new ATOM 0 HB ILE A 88 8.721 24.935 -9.521 1.00 73.32 H new ATOM 0 HG12 ILE A 88 8.809 25.256 -7.049 1.00 52.12 H new ATOM 0 HG13 ILE A 88 10.321 24.708 -7.745 1.00 52.12 H new ATOM 0 HG21 ILE A 88 11.023 25.649 -10.029 1.00 54.14 H new ATOM 0 HG22 ILE A 88 9.827 26.552 -10.989 1.00 54.14 H new ATOM 0 HG23 ILE A 88 10.600 27.319 -9.582 1.00 54.14 H new ATOM 0 HD11 ILE A 88 10.709 26.437 -6.059 1.00 51.24 H new ATOM 0 HD12 ILE A 88 11.208 27.011 -7.668 1.00 51.24 H new ATOM 0 HD13 ILE A 88 9.672 27.568 -6.961 1.00 51.24 H new ATOM 1369 N LYS A 89 6.445 27.960 -10.576 1.00 1.55 N ATOM 1370 CA LYS A 89 5.693 28.108 -11.816 1.00 2.31 C ATOM 1371 C LYS A 89 6.612 28.512 -12.965 1.00 22.34 C ATOM 1372 O LYS A 89 7.312 29.522 -12.887 1.00 34.11 O ATOM 1373 CB LYS A 89 4.586 29.151 -11.644 1.00 61.12 C ATOM 1374 CG LYS A 89 3.889 29.518 -12.943 1.00 22.41 C ATOM 1375 CD LYS A 89 3.200 30.868 -12.844 1.00 0.21 C ATOM 1376 CE LYS A 89 1.878 30.766 -12.100 1.00 35.14 C ATOM 1377 NZ LYS A 89 0.806 31.561 -12.761 1.00 1.44 N ATOM 0 H LYS A 89 6.320 28.726 -9.914 1.00 1.55 H new ATOM 0 HA LYS A 89 5.243 27.145 -12.055 1.00 2.31 H new ATOM 0 HB2 LYS A 89 3.846 28.771 -10.939 1.00 61.12 H new ATOM 0 HB3 LYS A 89 5.013 30.052 -11.203 1.00 61.12 H new ATOM 0 HG2 LYS A 89 4.617 29.539 -13.754 1.00 22.41 H new ATOM 0 HG3 LYS A 89 3.155 28.751 -13.192 1.00 22.41 H new ATOM 0 HD2 LYS A 89 3.853 31.574 -12.332 1.00 0.21 H new ATOM 0 HD3 LYS A 89 3.026 31.263 -13.845 1.00 0.21 H new ATOM 0 HE2 LYS A 89 1.573 29.721 -12.044 1.00 35.14 H new ATOM 0 HE3 LYS A 89 2.010 31.115 -11.076 1.00 35.14 H new ATOM 0 HZ1 LYS A 89 -0.079 31.465 -12.223 1.00 1.44 H new ATOM 0 HZ2 LYS A 89 1.085 32.562 -12.792 1.00 1.44 H new ATOM 0 HZ3 LYS A 89 0.662 31.211 -13.730 1.00 1.44 H new ATOM 1391 N ASP A 90 6.604 27.717 -14.029 1.00 45.32 N ATOM 1392 CA ASP A 90 7.436 27.993 -15.195 1.00 54.32 C ATOM 1393 C ASP A 90 8.864 27.508 -14.971 1.00 64.13 C ATOM 1394 O ASP A 90 9.646 27.389 -15.914 1.00 55.43 O ATOM 1395 CB ASP A 90 7.435 29.491 -15.505 1.00 43.03 C ATOM 1396 CG ASP A 90 7.657 29.778 -16.977 1.00 63.44 C ATOM 1397 OD1 ASP A 90 8.827 29.767 -17.414 1.00 63.45 O ATOM 1398 OD2 ASP A 90 6.661 30.012 -17.693 1.00 20.15 O ATOM 0 H ASP A 90 6.031 26.877 -14.109 1.00 45.32 H new ATOM 0 HA ASP A 90 7.018 27.454 -16.045 1.00 54.32 H new ATOM 0 HB2 ASP A 90 6.484 29.923 -15.193 1.00 43.03 H new ATOM 0 HB3 ASP A 90 8.214 29.980 -14.921 1.00 43.03 H new ATOM 1403 N GLY A 91 9.200 27.229 -13.715 1.00 54.21 N ATOM 1404 CA GLY A 91 10.534 26.761 -13.390 1.00 2.32 C ATOM 1405 C GLY A 91 11.376 27.830 -12.721 1.00 64.25 C ATOM 1406 O GLY A 91 12.552 27.995 -13.045 1.00 1.21 O ATOM 0 H GLY A 91 8.571 27.319 -12.917 1.00 54.21 H new ATOM 0 HA2 GLY A 91 10.462 25.895 -12.732 1.00 2.32 H new ATOM 0 HA3 GLY A 91 11.031 26.428 -14.301 1.00 2.32 H new ATOM 1410 N ALA A 92 10.773 28.558 -11.788 1.00 4.23 N ATOM 1411 CA ALA A 92 11.476 29.616 -11.072 1.00 51.22 C ATOM 1412 C ALA A 92 11.016 29.696 -9.620 1.00 64.33 C ATOM 1413 O ALA A 92 11.612 29.080 -8.737 1.00 60.22 O ATOM 1414 CB ALA A 92 11.267 30.953 -11.768 1.00 75.10 C ATOM 0 H ALA A 92 9.799 28.435 -11.510 1.00 4.23 H new ATOM 0 HA ALA A 92 12.540 29.379 -11.076 1.00 51.22 H new ATOM 0 HB1 ALA A 92 11.797 31.734 -11.223 1.00 75.10 H new ATOM 0 HB2 ALA A 92 11.651 30.897 -12.787 1.00 75.10 H new ATOM 0 HB3 ALA A 92 10.203 31.187 -11.794 1.00 75.10 H new ATOM 1420 N GLU A 93 9.954 30.459 -9.381 1.00 62.44 N ATOM 1421 CA GLU A 93 9.417 30.619 -8.035 1.00 71.04 C ATOM 1422 C GLU A 93 8.183 31.517 -8.045 1.00 42.14 C ATOM 1423 O GLU A 93 8.292 32.738 -8.155 1.00 62.13 O ATOM 1424 CB GLU A 93 10.480 31.205 -7.104 1.00 63.03 C ATOM 1425 CG GLU A 93 10.246 30.889 -5.637 1.00 34.52 C ATOM 1426 CD GLU A 93 11.524 30.921 -4.821 1.00 74.24 C ATOM 1427 OE1 GLU A 93 12.060 32.028 -4.603 1.00 74.42 O ATOM 1428 OE2 GLU A 93 11.988 29.840 -4.402 1.00 12.22 O ATOM 0 H GLU A 93 9.449 30.975 -10.101 1.00 62.44 H new ATOM 0 HA GLU A 93 9.126 29.635 -7.668 1.00 71.04 H new ATOM 0 HB2 GLU A 93 11.458 30.823 -7.397 1.00 63.03 H new ATOM 0 HB3 GLU A 93 10.508 32.287 -7.234 1.00 63.03 H new ATOM 0 HG2 GLU A 93 9.537 31.607 -5.223 1.00 34.52 H new ATOM 0 HG3 GLU A 93 9.789 29.903 -5.550 1.00 34.52 H new ATOM 1435 N ALA A 94 7.010 30.903 -7.931 1.00 24.34 N ATOM 1436 CA ALA A 94 5.756 31.645 -7.925 1.00 2.51 C ATOM 1437 C ALA A 94 5.408 32.124 -6.519 1.00 71.15 C ATOM 1438 O ALA A 94 4.840 33.202 -6.343 1.00 73.25 O ATOM 1439 CB ALA A 94 4.632 30.787 -8.486 1.00 41.41 C ATOM 0 H ALA A 94 6.902 29.893 -7.841 1.00 24.34 H new ATOM 0 HA ALA A 94 5.879 32.523 -8.559 1.00 2.51 H new ATOM 0 HB1 ALA A 94 3.701 31.354 -8.475 1.00 41.41 H new ATOM 0 HB2 ALA A 94 4.870 30.500 -9.510 1.00 41.41 H new ATOM 0 HB3 ALA A 94 4.518 29.892 -7.875 1.00 41.41 H new ATOM 1445 N ASP A 95 5.751 31.316 -5.523 1.00 23.04 N ATOM 1446 CA ASP A 95 5.475 31.657 -4.132 1.00 0.31 C ATOM 1447 C ASP A 95 5.484 30.410 -3.254 1.00 63.20 C ATOM 1448 O ASP A 95 5.745 29.304 -3.730 1.00 15.43 O ATOM 1449 CB ASP A 95 4.125 32.367 -4.017 1.00 71.22 C ATOM 1450 CG ASP A 95 4.271 33.868 -3.867 1.00 11.33 C ATOM 1451 OD1 ASP A 95 5.060 34.303 -3.002 1.00 51.54 O ATOM 1452 OD2 ASP A 95 3.595 34.608 -4.613 1.00 4.24 O ATOM 0 H ASP A 95 6.221 30.420 -5.652 1.00 23.04 H new ATOM 0 HA ASP A 95 6.261 32.328 -3.786 1.00 0.31 H new ATOM 0 HB2 ASP A 95 3.527 32.150 -4.902 1.00 71.22 H new ATOM 0 HB3 ASP A 95 3.581 31.970 -3.160 1.00 71.22 H new ATOM 1457 N LYS A 96 5.200 30.594 -1.969 1.00 53.54 N ATOM 1458 CA LYS A 96 5.175 29.485 -1.024 1.00 13.15 C ATOM 1459 C LYS A 96 3.935 29.553 -0.137 1.00 40.44 C ATOM 1460 O LYS A 96 3.196 30.538 -0.162 1.00 32.44 O ATOM 1461 CB LYS A 96 6.436 29.499 -0.157 1.00 33.44 C ATOM 1462 CG LYS A 96 6.540 30.716 0.746 1.00 64.12 C ATOM 1463 CD LYS A 96 7.544 31.723 0.210 1.00 61.24 C ATOM 1464 CE LYS A 96 8.970 31.333 0.568 1.00 41.05 C ATOM 1465 NZ LYS A 96 9.651 32.392 1.363 1.00 23.53 N ATOM 0 H LYS A 96 4.984 31.502 -1.558 1.00 53.54 H new ATOM 0 HA LYS A 96 5.142 28.556 -1.593 1.00 13.15 H new ATOM 0 HB2 LYS A 96 6.454 28.599 0.457 1.00 33.44 H new ATOM 0 HB3 LYS A 96 7.312 29.461 -0.804 1.00 33.44 H new ATOM 0 HG2 LYS A 96 5.562 31.188 0.836 1.00 64.12 H new ATOM 0 HG3 LYS A 96 6.836 30.403 1.747 1.00 64.12 H new ATOM 0 HD2 LYS A 96 7.446 31.794 -0.873 1.00 61.24 H new ATOM 0 HD3 LYS A 96 7.323 32.710 0.616 1.00 61.24 H new ATOM 0 HE2 LYS A 96 8.961 30.402 1.135 1.00 41.05 H new ATOM 0 HE3 LYS A 96 9.535 31.144 -0.345 1.00 41.05 H new ATOM 0 HZ1 LYS A 96 10.620 32.089 1.587 1.00 23.53 H new ATOM 0 HZ2 LYS A 96 9.683 33.273 0.812 1.00 23.53 H new ATOM 0 HZ3 LYS A 96 9.126 32.555 2.246 1.00 23.53 H new ATOM 1479 N VAL A 97 3.714 28.502 0.645 1.00 10.15 N ATOM 1480 CA VAL A 97 2.565 28.444 1.541 1.00 3.25 C ATOM 1481 C VAL A 97 2.936 27.794 2.869 1.00 24.15 C ATOM 1482 O VAL A 97 3.481 28.445 3.761 1.00 31.13 O ATOM 1483 CB VAL A 97 1.398 27.663 0.908 1.00 4.24 C ATOM 1484 CG1 VAL A 97 0.339 27.346 1.953 1.00 51.23 C ATOM 1485 CG2 VAL A 97 0.800 28.447 -0.250 1.00 35.03 C ATOM 0 H VAL A 97 4.315 27.679 0.677 1.00 10.15 H new ATOM 0 HA VAL A 97 2.250 29.472 1.718 1.00 3.25 H new ATOM 0 HB VAL A 97 1.782 26.720 0.518 1.00 4.24 H new ATOM 0 HG11 VAL A 97 -0.478 26.794 1.488 1.00 51.23 H new ATOM 0 HG12 VAL A 97 0.780 26.742 2.746 1.00 51.23 H new ATOM 0 HG13 VAL A 97 -0.045 28.275 2.375 1.00 51.23 H new ATOM 0 HG21 VAL A 97 -0.023 27.881 -0.686 1.00 35.03 H new ATOM 0 HG22 VAL A 97 0.429 29.406 0.113 1.00 35.03 H new ATOM 0 HG23 VAL A 97 1.565 28.617 -1.008 1.00 35.03 H new ATOM 1495 N VAL A 98 2.638 26.504 2.994 1.00 4.55 N ATOM 1496 CA VAL A 98 2.942 25.764 4.213 1.00 1.34 C ATOM 1497 C VAL A 98 2.170 24.451 4.266 1.00 73.03 C ATOM 1498 O VAL A 98 0.951 24.428 4.096 1.00 25.10 O ATOM 1499 CB VAL A 98 2.612 26.592 5.470 1.00 74.14 C ATOM 1500 CG1 VAL A 98 1.992 25.710 6.543 1.00 62.32 C ATOM 1501 CG2 VAL A 98 3.860 27.286 5.993 1.00 12.14 C ATOM 0 H VAL A 98 2.187 25.950 2.266 1.00 4.55 H new ATOM 0 HA VAL A 98 4.011 25.553 4.196 1.00 1.34 H new ATOM 0 HB VAL A 98 1.885 27.358 5.199 1.00 74.14 H new ATOM 0 HG11 VAL A 98 1.766 26.312 7.423 1.00 62.32 H new ATOM 0 HG12 VAL A 98 1.073 25.265 6.162 1.00 62.32 H new ATOM 0 HG13 VAL A 98 2.692 24.920 6.814 1.00 62.32 H new ATOM 0 HG21 VAL A 98 3.609 27.866 6.881 1.00 12.14 H new ATOM 0 HG22 VAL A 98 4.612 26.539 6.248 1.00 12.14 H new ATOM 0 HG23 VAL A 98 4.255 27.951 5.225 1.00 12.14 H new ATOM 1511 N GLY A 99 2.888 23.357 4.502 1.00 11.24 N ATOM 1512 CA GLY A 99 2.253 22.054 4.573 1.00 2.14 C ATOM 1513 C GLY A 99 1.538 21.828 5.891 1.00 50.53 C ATOM 1514 O GLY A 99 1.676 20.772 6.507 1.00 44.32 O ATOM 0 H GLY A 99 3.898 23.350 4.645 1.00 11.24 H new ATOM 0 HA2 GLY A 99 1.540 21.956 3.755 1.00 2.14 H new ATOM 0 HA3 GLY A 99 3.006 21.278 4.434 1.00 2.14 H new ATOM 1518 N ALA A 100 0.772 22.824 6.324 1.00 2.35 N ATOM 1519 CA ALA A 100 0.033 22.729 7.577 1.00 55.41 C ATOM 1520 C ALA A 100 -1.152 23.690 7.589 1.00 5.23 C ATOM 1521 O ALA A 100 -1.708 23.990 8.645 1.00 15.25 O ATOM 1522 CB ALA A 100 0.953 23.008 8.756 1.00 61.21 C ATOM 0 H ALA A 100 0.647 23.705 5.826 1.00 2.35 H new ATOM 0 HA ALA A 100 -0.354 21.714 7.666 1.00 55.41 H new ATOM 0 HB1 ALA A 100 0.387 22.933 9.685 1.00 61.21 H new ATOM 0 HB2 ALA A 100 1.764 22.279 8.765 1.00 61.21 H new ATOM 0 HB3 ALA A 100 1.368 24.012 8.664 1.00 61.21 H new ATOM 1528 N ARG A 101 -1.531 24.170 6.409 1.00 3.04 N ATOM 1529 CA ARG A 101 -2.648 25.099 6.285 1.00 23.34 C ATOM 1530 C ARG A 101 -3.672 24.586 5.277 1.00 22.23 C ATOM 1531 O ARG A 101 -3.383 24.471 4.086 1.00 52.31 O ATOM 1532 CB ARG A 101 -2.146 26.480 5.861 1.00 65.14 C ATOM 1533 CG ARG A 101 -2.016 27.462 7.014 1.00 63.15 C ATOM 1534 CD ARG A 101 -0.814 27.139 7.888 1.00 71.03 C ATOM 1535 NE ARG A 101 -0.528 28.207 8.842 1.00 53.34 N ATOM 1536 CZ ARG A 101 0.173 28.030 9.956 1.00 70.44 C ATOM 1537 NH1 ARG A 101 0.658 26.832 10.254 1.00 52.11 N ATOM 1538 NH2 ARG A 101 0.391 29.051 10.774 1.00 40.22 N ATOM 0 H ARG A 101 -1.081 23.931 5.525 1.00 3.04 H new ATOM 0 HA ARG A 101 -3.131 25.179 7.259 1.00 23.34 H new ATOM 0 HB2 ARG A 101 -1.176 26.371 5.376 1.00 65.14 H new ATOM 0 HB3 ARG A 101 -2.829 26.893 5.118 1.00 65.14 H new ATOM 0 HG2 ARG A 101 -1.921 28.475 6.622 1.00 63.15 H new ATOM 0 HG3 ARG A 101 -2.923 27.438 7.618 1.00 63.15 H new ATOM 0 HD2 ARG A 101 -0.998 26.210 8.428 1.00 71.03 H new ATOM 0 HD3 ARG A 101 0.059 26.973 7.257 1.00 71.03 H new ATOM 0 HE ARG A 101 -0.887 29.141 8.642 1.00 53.34 H new ATOM 0 HH11 ARG A 101 0.493 26.045 9.627 1.00 52.11 H new ATOM 0 HH12 ARG A 101 1.196 26.698 11.110 1.00 52.11 H new ATOM 0 HH21 ARG A 101 0.020 29.974 10.548 1.00 40.22 H new ATOM 0 HH22 ARG A 101 0.930 28.913 11.629 1.00 40.22 H new ATOM 1552 N LYS A 102 -4.870 24.278 5.763 1.00 25.31 N ATOM 1553 CA LYS A 102 -5.938 23.778 4.906 1.00 21.41 C ATOM 1554 C LYS A 102 -6.753 24.928 4.325 1.00 11.50 C ATOM 1555 O LYS A 102 -7.785 24.712 3.689 1.00 21.24 O ATOM 1556 CB LYS A 102 -6.853 22.837 5.693 1.00 20.13 C ATOM 1557 CG LYS A 102 -7.584 21.830 4.822 1.00 31.14 C ATOM 1558 CD LYS A 102 -7.082 20.416 5.063 1.00 11.11 C ATOM 1559 CE LYS A 102 -8.232 19.449 5.300 1.00 51.05 C ATOM 1560 NZ LYS A 102 -7.751 18.117 5.759 1.00 21.14 N ATOM 0 H LYS A 102 -5.125 24.366 6.747 1.00 25.31 H new ATOM 0 HA LYS A 102 -5.482 23.228 4.083 1.00 21.41 H new ATOM 0 HB2 LYS A 102 -6.259 22.301 6.433 1.00 20.13 H new ATOM 0 HB3 LYS A 102 -7.585 23.430 6.241 1.00 20.13 H new ATOM 0 HG2 LYS A 102 -8.653 21.878 5.028 1.00 31.14 H new ATOM 0 HG3 LYS A 102 -7.450 22.091 3.772 1.00 31.14 H new ATOM 0 HD2 LYS A 102 -6.498 20.085 4.204 1.00 11.11 H new ATOM 0 HD3 LYS A 102 -6.415 20.408 5.925 1.00 11.11 H new ATOM 0 HE2 LYS A 102 -8.910 19.867 6.044 1.00 51.05 H new ATOM 0 HE3 LYS A 102 -8.803 19.331 4.379 1.00 51.05 H new ATOM 0 HZ1 LYS A 102 -8.565 17.487 5.909 1.00 21.14 H new ATOM 0 HZ2 LYS A 102 -7.124 17.707 5.038 1.00 21.14 H new ATOM 0 HZ3 LYS A 102 -7.228 18.225 6.651 1.00 21.14 H new ATOM 1574 N ASP A 103 -6.283 26.151 4.546 1.00 42.01 N ATOM 1575 CA ASP A 103 -6.967 27.336 4.042 1.00 50.12 C ATOM 1576 C ASP A 103 -6.031 28.180 3.183 1.00 64.14 C ATOM 1577 O ASP A 103 -6.464 29.116 2.511 1.00 44.33 O ATOM 1578 CB ASP A 103 -7.506 28.173 5.203 1.00 32.42 C ATOM 1579 CG ASP A 103 -8.887 28.732 4.922 1.00 42.03 C ATOM 1580 OD1 ASP A 103 -9.628 28.114 4.128 1.00 25.24 O ATOM 1581 OD2 ASP A 103 -9.227 29.788 5.495 1.00 31.43 O ATOM 0 H ASP A 103 -5.431 26.347 5.071 1.00 42.01 H new ATOM 0 HA ASP A 103 -7.802 27.007 3.423 1.00 50.12 H new ATOM 0 HB2 ASP A 103 -7.542 27.560 6.103 1.00 32.42 H new ATOM 0 HB3 ASP A 103 -6.819 28.995 5.404 1.00 32.42 H new ATOM 1586 N ASP A 104 -4.746 27.843 3.210 1.00 30.33 N ATOM 1587 CA ASP A 104 -3.748 28.569 2.434 1.00 1.21 C ATOM 1588 C ASP A 104 -3.232 27.717 1.279 1.00 71.03 C ATOM 1589 O ASP A 104 -2.954 28.227 0.193 1.00 44.33 O ATOM 1590 CB ASP A 104 -2.584 28.994 3.330 1.00 24.25 C ATOM 1591 CG ASP A 104 -2.125 30.412 3.051 1.00 32.34 C ATOM 1592 OD1 ASP A 104 -2.361 30.901 1.927 1.00 44.23 O ATOM 1593 OD2 ASP A 104 -1.532 31.032 3.958 1.00 1.10 O ATOM 0 H ASP A 104 -4.371 27.071 3.761 1.00 30.33 H new ATOM 0 HA ASP A 104 -4.222 29.459 2.021 1.00 1.21 H new ATOM 0 HB2 ASP A 104 -2.885 28.912 4.374 1.00 24.25 H new ATOM 0 HB3 ASP A 104 -1.748 28.310 3.184 1.00 24.25 H new ATOM 1598 N LEU A 105 -3.106 26.417 1.520 1.00 61.21 N ATOM 1599 CA LEU A 105 -2.622 25.493 0.500 1.00 73.21 C ATOM 1600 C LEU A 105 -3.610 25.394 -0.658 1.00 52.31 C ATOM 1601 O LEU A 105 -3.399 25.983 -1.718 1.00 25.20 O ATOM 1602 CB LEU A 105 -2.391 24.108 1.107 1.00 64.13 C ATOM 1603 CG LEU A 105 -2.346 22.941 0.119 1.00 3.32 C ATOM 1604 CD1 LEU A 105 -1.040 22.952 -0.661 1.00 12.13 C ATOM 1605 CD2 LEU A 105 -2.522 21.618 0.849 1.00 33.30 C ATOM 0 H LEU A 105 -3.332 25.979 2.413 1.00 61.21 H new ATOM 0 HA LEU A 105 -1.677 25.877 0.116 1.00 73.21 H new ATOM 0 HB2 LEU A 105 -1.451 24.127 1.659 1.00 64.13 H new ATOM 0 HB3 LEU A 105 -3.182 23.914 1.831 1.00 64.13 H new ATOM 0 HG LEU A 105 -3.168 23.056 -0.587 1.00 3.32 H new ATOM 0 HD11 LEU A 105 -1.026 22.115 -1.359 1.00 12.13 H new ATOM 0 HD12 LEU A 105 -0.955 23.887 -1.214 1.00 12.13 H new ATOM 0 HD13 LEU A 105 -0.202 22.862 0.031 1.00 12.13 H new ATOM 0 HD21 LEU A 105 -2.487 20.799 0.131 1.00 33.30 H new ATOM 0 HD22 LEU A 105 -1.721 21.495 1.578 1.00 33.30 H new ATOM 0 HD23 LEU A 105 -3.484 21.611 1.362 1.00 33.30 H new ATOM 1617 N GLN A 106 -4.690 24.649 -0.446 1.00 62.44 N ATOM 1618 CA GLN A 106 -5.711 24.475 -1.473 1.00 20.14 C ATOM 1619 C GLN A 106 -6.114 25.818 -2.072 1.00 52.10 C ATOM 1620 O GLN A 106 -6.691 25.876 -3.157 1.00 13.21 O ATOM 1621 CB GLN A 106 -6.939 23.775 -0.887 1.00 3.20 C ATOM 1622 CG GLN A 106 -7.303 24.253 0.510 1.00 64.53 C ATOM 1623 CD GLN A 106 -6.350 23.736 1.570 1.00 44.34 C ATOM 1624 OE1 GLN A 106 -5.473 24.609 2.053 1.00 45.30 O flip ATOM 1625 NE2 GLN A 106 -6.401 22.566 1.950 1.00 64.51 N flip ATOM 0 H GLN A 106 -4.881 24.157 0.427 1.00 62.44 H new ATOM 0 HA GLN A 106 -5.292 23.855 -2.266 1.00 20.14 H new ATOM 0 HB2 GLN A 106 -7.789 23.935 -1.550 1.00 3.20 H new ATOM 0 HB3 GLN A 106 -6.755 22.701 -0.858 1.00 3.20 H new ATOM 0 HG2 GLN A 106 -7.304 25.343 0.528 1.00 64.53 H new ATOM 0 HG3 GLN A 106 -8.316 23.929 0.748 1.00 64.53 H new ATOM 0 HE21 GLN A 106 -7.091 21.930 1.551 1.00 64.51 H new ATOM 0 HE22 GLN A 106 -5.753 22.233 2.664 1.00 64.51 H new ATOM 1634 N ASN A 107 -5.806 26.896 -1.358 1.00 34.34 N ATOM 1635 CA ASN A 107 -6.138 28.239 -1.819 1.00 22.11 C ATOM 1636 C ASN A 107 -5.084 28.754 -2.795 1.00 11.45 C ATOM 1637 O ASN A 107 -5.391 29.513 -3.715 1.00 34.02 O ATOM 1638 CB ASN A 107 -6.258 29.194 -0.630 1.00 35.14 C ATOM 1639 CG ASN A 107 -7.696 29.390 -0.189 1.00 53.34 C ATOM 1640 OD1 ASN A 107 -8.291 30.442 -0.425 1.00 74.25 O ATOM 1641 ND2 ASN A 107 -8.262 28.376 0.455 1.00 65.34 N ATOM 0 H ASN A 107 -5.327 26.866 -0.458 1.00 34.34 H new ATOM 0 HA ASN A 107 -7.096 28.192 -2.337 1.00 22.11 H new ATOM 0 HB2 ASN A 107 -5.674 28.806 0.205 1.00 35.14 H new ATOM 0 HB3 ASN A 107 -5.828 30.159 -0.898 1.00 35.14 H new ATOM 0 HD21 ASN A 107 -9.227 28.451 0.776 1.00 65.34 H new ATOM 0 HD22 ASN A 107 -7.731 27.522 0.629 1.00 65.34 H new ATOM 1648 N THR A 108 -3.839 28.337 -2.587 1.00 60.05 N ATOM 1649 CA THR A 108 -2.739 28.756 -3.447 1.00 54.13 C ATOM 1650 C THR A 108 -2.711 27.945 -4.738 1.00 4.13 C ATOM 1651 O THR A 108 -2.480 28.489 -5.818 1.00 73.23 O ATOM 1652 CB THR A 108 -1.382 28.612 -2.734 1.00 0.34 C ATOM 1653 OG1 THR A 108 -1.267 29.594 -1.698 1.00 3.23 O ATOM 1654 CG2 THR A 108 -0.233 28.770 -3.719 1.00 34.34 C ATOM 0 H THR A 108 -3.567 27.709 -1.830 1.00 60.05 H new ATOM 0 HA THR A 108 -2.906 29.807 -3.685 1.00 54.13 H new ATOM 0 HB THR A 108 -1.330 27.615 -2.297 1.00 0.34 H new ATOM 0 HG1 THR A 108 -1.781 29.305 -0.915 1.00 3.23 H new ATOM 0 HG21 THR A 108 0.715 28.664 -3.192 1.00 34.34 H new ATOM 0 HG22 THR A 108 -0.307 28.003 -4.490 1.00 34.34 H new ATOM 0 HG23 THR A 108 -0.283 29.756 -4.181 1.00 34.34 H new ATOM 1662 N ILE A 109 -2.946 26.643 -4.618 1.00 72.01 N ATOM 1663 CA ILE A 109 -2.949 25.758 -5.776 1.00 41.13 C ATOM 1664 C ILE A 109 -3.970 26.213 -6.813 1.00 40.14 C ATOM 1665 O ILE A 109 -3.803 25.977 -8.010 1.00 72.21 O ATOM 1666 CB ILE A 109 -3.257 24.304 -5.373 1.00 64.10 C ATOM 1667 CG1 ILE A 109 -2.011 23.642 -4.779 1.00 55.00 C ATOM 1668 CG2 ILE A 109 -3.760 23.517 -6.574 1.00 21.54 C ATOM 1669 CD1 ILE A 109 -1.840 23.896 -3.298 1.00 14.42 C ATOM 0 H ILE A 109 -3.137 26.178 -3.731 1.00 72.01 H new ATOM 0 HA ILE A 109 -1.950 25.802 -6.209 1.00 41.13 H new ATOM 0 HB ILE A 109 -4.039 24.310 -4.614 1.00 64.10 H new ATOM 0 HG12 ILE A 109 -2.063 22.567 -4.951 1.00 55.00 H new ATOM 0 HG13 ILE A 109 -1.129 24.007 -5.306 1.00 55.00 H new ATOM 0 HG21 ILE A 109 -3.973 22.491 -6.273 1.00 21.54 H new ATOM 0 HG22 ILE A 109 -4.670 23.980 -6.957 1.00 21.54 H new ATOM 0 HG23 ILE A 109 -2.998 23.516 -7.353 1.00 21.54 H new ATOM 0 HD11 ILE A 109 -0.937 23.397 -2.945 1.00 14.42 H new ATOM 0 HD12 ILE A 109 -1.755 24.968 -3.120 1.00 14.42 H new ATOM 0 HD13 ILE A 109 -2.704 23.506 -2.760 1.00 14.42 H new ATOM 1681 N VAL A 110 -5.028 26.869 -6.346 1.00 44.14 N ATOM 1682 CA VAL A 110 -6.075 27.361 -7.233 1.00 72.34 C ATOM 1683 C VAL A 110 -5.637 28.633 -7.950 1.00 3.15 C ATOM 1684 O VAL A 110 -6.112 28.939 -9.043 1.00 73.12 O ATOM 1685 CB VAL A 110 -7.378 27.642 -6.461 1.00 40.14 C ATOM 1686 CG1 VAL A 110 -7.862 26.385 -5.754 1.00 42.41 C ATOM 1687 CG2 VAL A 110 -7.174 28.777 -5.469 1.00 52.34 C ATOM 0 H VAL A 110 -5.182 27.072 -5.358 1.00 44.14 H new ATOM 0 HA VAL A 110 -6.259 26.579 -7.969 1.00 72.34 H new ATOM 0 HB VAL A 110 -8.144 27.946 -7.174 1.00 40.14 H new ATOM 0 HG11 VAL A 110 -8.783 26.603 -5.214 1.00 42.41 H new ATOM 0 HG12 VAL A 110 -8.049 25.603 -6.490 1.00 42.41 H new ATOM 0 HG13 VAL A 110 -7.101 26.047 -5.051 1.00 42.41 H new ATOM 0 HG21 VAL A 110 -8.104 28.963 -4.932 1.00 52.34 H new ATOM 0 HG22 VAL A 110 -6.393 28.504 -4.759 1.00 52.34 H new ATOM 0 HG23 VAL A 110 -6.878 29.679 -6.004 1.00 52.34 H new ATOM 1697 N LYS A 111 -4.726 29.372 -7.326 1.00 2.42 N ATOM 1698 CA LYS A 111 -4.220 30.612 -7.903 1.00 41.10 C ATOM 1699 C LYS A 111 -3.086 30.333 -8.884 1.00 23.42 C ATOM 1700 O LYS A 111 -2.866 31.092 -9.828 1.00 14.42 O ATOM 1701 CB LYS A 111 -3.733 31.552 -6.798 1.00 23.22 C ATOM 1702 CG LYS A 111 -2.231 31.505 -6.578 1.00 24.44 C ATOM 1703 CD LYS A 111 -1.857 31.971 -5.181 1.00 22.14 C ATOM 1704 CE LYS A 111 -1.601 33.470 -5.143 1.00 72.20 C ATOM 1705 NZ LYS A 111 -0.865 33.876 -3.914 1.00 45.23 N ATOM 0 H LYS A 111 -4.323 29.134 -6.420 1.00 2.42 H new ATOM 0 HA LYS A 111 -5.036 31.090 -8.445 1.00 41.10 H new ATOM 0 HB2 LYS A 111 -4.024 32.573 -7.047 1.00 23.22 H new ATOM 0 HB3 LYS A 111 -4.237 31.295 -5.866 1.00 23.22 H new ATOM 0 HG2 LYS A 111 -1.872 30.487 -6.731 1.00 24.44 H new ATOM 0 HG3 LYS A 111 -1.734 32.133 -7.317 1.00 24.44 H new ATOM 0 HD2 LYS A 111 -2.658 31.720 -4.486 1.00 22.14 H new ATOM 0 HD3 LYS A 111 -0.966 31.440 -4.846 1.00 22.14 H new ATOM 0 HE2 LYS A 111 -1.028 33.763 -6.023 1.00 72.20 H new ATOM 0 HE3 LYS A 111 -2.551 34.002 -5.190 1.00 72.20 H new ATOM 0 HZ1 LYS A 111 -0.710 34.904 -3.926 1.00 45.23 H new ATOM 0 HZ2 LYS A 111 -1.423 33.620 -3.075 1.00 45.23 H new ATOM 0 HZ3 LYS A 111 0.053 33.388 -3.882 1.00 45.23 H new ATOM 1719 N HIS A 112 -2.368 29.237 -8.655 1.00 52.13 N ATOM 1720 CA HIS A 112 -1.257 28.856 -9.521 1.00 15.43 C ATOM 1721 C HIS A 112 -1.677 27.756 -10.491 1.00 11.30 C ATOM 1722 O HIS A 112 -1.416 27.840 -11.691 1.00 54.32 O ATOM 1723 CB HIS A 112 -0.068 28.387 -8.683 1.00 31.25 C ATOM 1724 CG HIS A 112 0.363 29.378 -7.646 1.00 12.21 C ATOM 1725 ND1 HIS A 112 0.813 29.199 -6.382 1.00 31.50 N flip ATOM 1726 CD2 HIS A 112 0.357 30.741 -7.859 1.00 70.51 C flip ATOM 1727 CE1 HIS A 112 1.069 30.443 -5.860 1.00 25.12 C flip ATOM 1728 NE2 HIS A 112 0.786 31.356 -6.772 1.00 64.34 N flip ATOM 0 H HIS A 112 -2.536 28.598 -7.878 1.00 52.13 H new ATOM 0 HA HIS A 112 -0.962 29.732 -10.099 1.00 15.43 H new ATOM 0 HB2 HIS A 112 -0.328 27.449 -8.192 1.00 31.25 H new ATOM 0 HB3 HIS A 112 0.772 28.178 -9.345 1.00 31.25 H new ATOM 0 HD1 HIS A 112 0.939 28.306 -5.906 1.00 31.50 H new ATOM 0 HD2 HIS A 112 0.049 31.229 -8.772 1.00 70.51 H new ATOM 0 HE1 HIS A 112 1.441 30.643 -4.866 1.00 25.12 H new ATOM 1736 N VAL A 113 -2.328 26.724 -9.963 1.00 1.52 N ATOM 1737 CA VAL A 113 -2.784 25.608 -10.782 1.00 21.10 C ATOM 1738 C VAL A 113 -4.229 25.805 -11.225 1.00 13.24 C ATOM 1739 O VAL A 113 -4.629 25.351 -12.296 1.00 12.03 O ATOM 1740 CB VAL A 113 -2.668 24.272 -10.024 1.00 74.11 C ATOM 1741 CG1 VAL A 113 -2.869 23.100 -10.973 1.00 45.34 C ATOM 1742 CG2 VAL A 113 -1.324 24.174 -9.319 1.00 41.24 C ATOM 0 H VAL A 113 -2.551 26.638 -8.971 1.00 1.52 H new ATOM 0 HA VAL A 113 -2.140 25.576 -11.661 1.00 21.10 H new ATOM 0 HB VAL A 113 -3.452 24.234 -9.268 1.00 74.11 H new ATOM 0 HG11 VAL A 113 -2.783 22.165 -10.420 1.00 45.34 H new ATOM 0 HG12 VAL A 113 -3.858 23.164 -11.426 1.00 45.34 H new ATOM 0 HG13 VAL A 113 -2.109 23.130 -11.754 1.00 45.34 H new ATOM 0 HG21 VAL A 113 -1.260 23.224 -8.789 1.00 41.24 H new ATOM 0 HG22 VAL A 113 -0.522 24.234 -10.055 1.00 41.24 H new ATOM 0 HG23 VAL A 113 -1.226 24.994 -8.608 1.00 41.24 H new ATOM 1752 N GLY A 114 -5.010 26.487 -10.392 1.00 2.33 N ATOM 1753 CA GLY A 114 -6.403 26.734 -10.715 1.00 30.43 C ATOM 1754 C GLY A 114 -6.575 27.851 -11.724 1.00 53.22 C ATOM 1755 O GLY A 114 -7.668 28.058 -12.251 1.00 31.20 O ATOM 0 H GLY A 114 -4.702 26.873 -9.499 1.00 2.33 H new ATOM 0 HA2 GLY A 114 -6.849 25.821 -11.109 1.00 30.43 H new ATOM 0 HA3 GLY A 114 -6.945 26.985 -9.803 1.00 30.43 H new ATOM 1759 N ALA A 115 -5.494 28.575 -11.993 1.00 41.33 N ATOM 1760 CA ALA A 115 -5.530 29.678 -12.946 1.00 73.43 C ATOM 1761 C ALA A 115 -6.836 30.457 -12.835 1.00 32.14 C ATOM 1762 O ALA A 115 -7.440 30.825 -13.843 1.00 14.24 O ATOM 1763 CB ALA A 115 -5.344 29.156 -14.364 1.00 11.34 C ATOM 0 H ALA A 115 -4.582 28.418 -11.564 1.00 41.33 H new ATOM 0 HA ALA A 115 -4.711 30.357 -12.709 1.00 73.43 H new ATOM 0 HB1 ALA A 115 -5.373 29.990 -15.065 1.00 11.34 H new ATOM 0 HB2 ALA A 115 -4.382 28.649 -14.442 1.00 11.34 H new ATOM 0 HB3 ALA A 115 -6.144 28.454 -14.601 1.00 11.34 H new