USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 Single : A 9 MET CE :methyl 165:sc= -0.873 (180deg=-1.36) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.48! C(o=-3.5!,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= -1.33 (180deg=-2.93!) USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.723 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= 0.763 (180deg=0.654) USER MOD Single : A 27 SER OG : rot -60:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 150:sc= -2.07! USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0493) USER MOD Single : A 38 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 103:sc= 0.163 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.5) USER MOD Single : A 70 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.063) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= 0.683 (180deg=0.522) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.274 (180deg=-0.596) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 120:sc= -1.3 USER MOD Single : A 86 MET CE :methyl 173:sc= -2.87! (180deg=-2.9!) USER MOD Single : A 87 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.567 -15.328 7.196 1.00 53.01 N ATOM 38 CA VAL A 5 -12.154 -14.087 6.770 1.00 71.14 C ATOM 39 C VAL A 5 -13.684 -14.150 6.909 1.00 64.11 C ATOM 40 O VAL A 5 -14.297 -15.124 6.475 1.00 52.33 O ATOM 41 CB VAL A 5 -11.811 -13.840 5.289 1.00 45.14 C ATOM 42 CG1 VAL A 5 -12.190 -12.447 4.840 1.00 15.12 C ATOM 43 CG2 VAL A 5 -10.359 -14.151 4.991 1.00 42.44 C ATOM 0 HA VAL A 5 -11.760 -13.283 7.391 1.00 71.14 H new ATOM 0 HB VAL A 5 -12.417 -14.533 4.705 1.00 45.14 H new ATOM 0 HG11 VAL A 5 -11.929 -12.320 3.789 1.00 15.12 H new ATOM 0 HG12 VAL A 5 -13.263 -12.303 4.967 1.00 15.12 H new ATOM 0 HG13 VAL A 5 -11.652 -11.713 5.439 1.00 15.12 H new ATOM 0 HG21 VAL A 5 -10.156 -13.964 3.936 1.00 42.44 H new ATOM 0 HG22 VAL A 5 -9.718 -13.515 5.602 1.00 42.44 H new ATOM 0 HG23 VAL A 5 -10.157 -15.197 5.220 1.00 42.44 H new ATOM 53 N PRO A 6 -14.323 -13.126 7.516 1.00 31.24 N ATOM 54 CA PRO A 6 -15.787 -13.074 7.624 1.00 22.50 C ATOM 55 C PRO A 6 -16.427 -12.854 6.250 1.00 33.53 C ATOM 56 O PRO A 6 -15.865 -12.147 5.394 1.00 41.40 O ATOM 57 CB PRO A 6 -16.068 -11.855 8.516 1.00 73.43 C ATOM 58 CG PRO A 6 -14.744 -11.379 9.021 1.00 42.43 C ATOM 59 CD PRO A 6 -13.677 -11.966 8.141 1.00 1.03 C ATOM 0 HA PRO A 6 -16.194 -14.002 8.025 1.00 22.50 H new ATOM 0 HB2 PRO A 6 -16.572 -11.070 7.952 1.00 73.43 H new ATOM 0 HB3 PRO A 6 -16.724 -12.124 9.344 1.00 73.43 H new ATOM 0 HG2 PRO A 6 -14.698 -10.290 9.003 1.00 42.43 H new ATOM 0 HG3 PRO A 6 -14.597 -11.687 10.056 1.00 42.43 H new ATOM 0 HD2 PRO A 6 -13.338 -11.249 7.394 1.00 1.03 H new ATOM 0 HD3 PRO A 6 -12.802 -12.261 8.720 1.00 1.03 H new ATOM 67 N ALA A 7 -17.607 -13.411 6.039 1.00 0.34 N ATOM 68 CA ALA A 7 -18.276 -13.325 4.770 1.00 22.14 C ATOM 69 C ALA A 7 -19.021 -12.012 4.606 1.00 33.03 C ATOM 70 O ALA A 7 -20.253 -11.958 4.587 1.00 23.14 O ATOM 71 CB ALA A 7 -19.182 -14.504 4.543 1.00 64.33 C ATOM 0 H ALA A 7 -18.121 -13.934 6.748 1.00 0.34 H new ATOM 0 HA ALA A 7 -17.503 -13.351 4.002 1.00 22.14 H new ATOM 0 HB1 ALA A 7 -19.671 -14.406 3.574 1.00 64.33 H new ATOM 0 HB2 ALA A 7 -18.595 -15.423 4.562 1.00 64.33 H new ATOM 0 HB3 ALA A 7 -19.937 -14.539 5.329 1.00 64.33 H new ATOM 77 N ASP A 8 -18.255 -10.973 4.554 1.00 62.52 N ATOM 78 CA ASP A 8 -18.712 -9.604 4.322 1.00 0.35 C ATOM 79 C ASP A 8 -17.505 -8.808 3.932 1.00 2.23 C ATOM 80 O ASP A 8 -17.563 -7.884 3.122 1.00 5.24 O ATOM 81 CB ASP A 8 -19.357 -8.997 5.592 1.00 53.14 C ATOM 82 CG ASP A 8 -19.862 -7.568 5.394 1.00 43.41 C ATOM 83 OD1 ASP A 8 -21.024 -7.383 4.950 1.00 73.31 O ATOM 84 OD2 ASP A 8 -19.121 -6.608 5.693 1.00 10.43 O ATOM 0 H ASP A 8 -17.244 -11.037 4.675 1.00 62.52 H new ATOM 0 HA ASP A 8 -19.474 -9.590 3.542 1.00 0.35 H new ATOM 0 HB2 ASP A 8 -20.189 -9.628 5.905 1.00 53.14 H new ATOM 0 HB3 ASP A 8 -18.627 -9.007 6.401 1.00 53.14 H new ATOM 89 N MET A 9 -16.387 -9.220 4.482 1.00 24.21 N ATOM 90 CA MET A 9 -15.129 -8.574 4.237 1.00 21.10 C ATOM 91 C MET A 9 -14.336 -9.400 3.264 1.00 52.02 C ATOM 92 O MET A 9 -14.475 -10.633 3.214 1.00 71.05 O ATOM 93 CB MET A 9 -14.324 -8.455 5.543 1.00 12.14 C ATOM 94 CG MET A 9 -15.043 -7.715 6.650 1.00 34.12 C ATOM 95 SD MET A 9 -15.381 -5.984 6.268 1.00 55.02 S ATOM 96 CE MET A 9 -13.727 -5.312 6.249 1.00 53.22 C ATOM 0 H MET A 9 -16.329 -10.018 5.115 1.00 24.21 H new ATOM 0 HA MET A 9 -15.317 -7.578 3.836 1.00 21.10 H new ATOM 0 HB2 MET A 9 -14.073 -9.456 5.894 1.00 12.14 H new ATOM 0 HB3 MET A 9 -13.384 -7.946 5.332 1.00 12.14 H new ATOM 0 HG2 MET A 9 -15.985 -8.222 6.861 1.00 34.12 H new ATOM 0 HG3 MET A 9 -14.443 -7.767 7.558 1.00 34.12 H new ATOM 0 HE1 MET A 9 -13.738 -4.331 5.773 1.00 53.22 H new ATOM 0 HE2 MET A 9 -13.362 -5.215 7.271 1.00 53.22 H new ATOM 0 HE3 MET A 9 -13.070 -5.979 5.691 1.00 53.22 H new ATOM 106 N ILE A 10 -13.547 -8.752 2.487 1.00 74.15 N ATOM 107 CA ILE A 10 -12.638 -9.432 1.625 1.00 61.34 C ATOM 108 C ILE A 10 -11.222 -9.258 2.167 1.00 15.23 C ATOM 109 O ILE A 10 -10.828 -8.158 2.572 1.00 71.51 O ATOM 110 CB ILE A 10 -12.803 -9.032 0.099 1.00 53.32 C ATOM 111 CG1 ILE A 10 -12.723 -7.533 -0.164 1.00 4.42 C ATOM 112 CG2 ILE A 10 -14.074 -9.570 -0.484 1.00 41.31 C ATOM 113 CD1 ILE A 10 -11.342 -6.970 -0.252 1.00 21.32 C ATOM 0 H ILE A 10 -13.509 -7.734 2.427 1.00 74.15 H new ATOM 0 HA ILE A 10 -12.873 -10.496 1.628 1.00 61.34 H new ATOM 0 HB ILE A 10 -11.948 -9.492 -0.396 1.00 53.32 H new ATOM 0 HG12 ILE A 10 -13.245 -7.317 -1.096 1.00 4.42 H new ATOM 0 HG13 ILE A 10 -13.259 -7.013 0.630 1.00 4.42 H new ATOM 0 HG21 ILE A 10 -14.148 -9.274 -1.530 1.00 41.31 H new ATOM 0 HG22 ILE A 10 -14.075 -10.658 -0.414 1.00 41.31 H new ATOM 0 HG23 ILE A 10 -14.925 -9.171 0.068 1.00 41.31 H new ATOM 0 HD11 ILE A 10 -11.397 -5.898 -0.441 1.00 21.32 H new ATOM 0 HD12 ILE A 10 -10.817 -7.146 0.687 1.00 21.32 H new ATOM 0 HD13 ILE A 10 -10.803 -7.454 -1.066 1.00 21.32 H new ATOM 125 N ASN A 11 -10.491 -10.329 2.253 1.00 32.42 N ATOM 126 CA ASN A 11 -9.159 -10.264 2.798 1.00 73.24 C ATOM 127 C ASN A 11 -8.242 -9.964 1.667 1.00 44.14 C ATOM 128 O ASN A 11 -8.087 -10.763 0.761 1.00 60.25 O ATOM 129 CB ASN A 11 -8.806 -11.591 3.470 1.00 11.33 C ATOM 130 CG ASN A 11 -7.516 -11.612 4.308 1.00 63.22 C ATOM 131 OD1 ASN A 11 -6.517 -10.862 3.939 1.00 1.35 O flip ATOM 132 ND2 ASN A 11 -7.438 -12.336 5.293 1.00 64.54 N flip ATOM 0 H ASN A 11 -10.789 -11.258 1.955 1.00 32.42 H new ATOM 0 HA ASN A 11 -9.075 -9.489 3.560 1.00 73.24 H new ATOM 0 HB2 ASN A 11 -9.637 -11.879 4.114 1.00 11.33 H new ATOM 0 HB3 ASN A 11 -8.723 -12.354 2.696 1.00 11.33 H new ATOM 0 HD21 ASN A 11 -8.232 -12.915 5.564 1.00 64.54 H new ATOM 0 HD22 ASN A 11 -6.579 -12.359 5.842 1.00 64.54 H new ATOM 139 N LEU A 12 -7.653 -8.827 1.700 1.00 72.32 N ATOM 140 CA LEU A 12 -6.866 -8.387 0.605 1.00 3.51 C ATOM 141 C LEU A 12 -5.431 -8.163 0.994 1.00 54.54 C ATOM 142 O LEU A 12 -5.136 -7.556 2.031 1.00 22.01 O ATOM 143 CB LEU A 12 -7.491 -7.113 0.042 1.00 73.44 C ATOM 144 CG LEU A 12 -6.713 -6.362 -1.025 1.00 62.13 C ATOM 145 CD1 LEU A 12 -6.420 -7.221 -2.234 1.00 60.12 C ATOM 146 CD2 LEU A 12 -7.450 -5.105 -1.404 1.00 63.21 C ATOM 0 H LEU A 12 -7.701 -8.175 2.483 1.00 72.32 H new ATOM 0 HA LEU A 12 -6.855 -9.164 -0.159 1.00 3.51 H new ATOM 0 HB2 LEU A 12 -8.466 -7.371 -0.372 1.00 73.44 H new ATOM 0 HB3 LEU A 12 -7.668 -6.430 0.873 1.00 73.44 H new ATOM 0 HG LEU A 12 -5.744 -6.089 -0.606 1.00 62.13 H new ATOM 0 HD11 LEU A 12 -5.862 -6.639 -2.968 1.00 60.12 H new ATOM 0 HD12 LEU A 12 -5.829 -8.085 -1.932 1.00 60.12 H new ATOM 0 HD13 LEU A 12 -7.357 -7.559 -2.676 1.00 60.12 H new ATOM 0 HD21 LEU A 12 -6.888 -4.570 -2.169 1.00 63.21 H new ATOM 0 HD22 LEU A 12 -8.435 -5.364 -1.792 1.00 63.21 H new ATOM 0 HD23 LEU A 12 -7.561 -4.470 -0.525 1.00 63.21 H new ATOM 158 N ARG A 13 -4.543 -8.678 0.182 1.00 31.33 N ATOM 159 CA ARG A 13 -3.168 -8.436 0.360 1.00 43.14 C ATOM 160 C ARG A 13 -2.701 -7.489 -0.707 1.00 42.21 C ATOM 161 O ARG A 13 -2.807 -7.767 -1.904 1.00 42.22 O ATOM 162 CB ARG A 13 -2.381 -9.723 0.300 1.00 51.14 C ATOM 163 CG ARG A 13 -0.949 -9.542 0.725 1.00 2.43 C ATOM 164 CD ARG A 13 -0.291 -10.864 0.911 1.00 65.11 C ATOM 165 NE ARG A 13 1.014 -10.731 1.552 1.00 42.10 N ATOM 166 CZ ARG A 13 1.294 -11.200 2.779 1.00 1.14 C ATOM 167 NH1 ARG A 13 0.348 -11.818 3.498 1.00 14.44 N ATOM 168 NH2 ARG A 13 2.505 -11.030 3.292 1.00 61.24 N ATOM 0 H ARG A 13 -4.771 -9.273 -0.614 1.00 31.33 H new ATOM 0 HA ARG A 13 -3.006 -7.995 1.343 1.00 43.14 H new ATOM 0 HB2 ARG A 13 -2.856 -10.466 0.941 1.00 51.14 H new ATOM 0 HB3 ARG A 13 -2.408 -10.115 -0.717 1.00 51.14 H new ATOM 0 HG2 ARG A 13 -0.411 -8.963 -0.026 1.00 2.43 H new ATOM 0 HG3 ARG A 13 -0.908 -8.974 1.655 1.00 2.43 H new ATOM 0 HD2 ARG A 13 -0.930 -11.507 1.516 1.00 65.11 H new ATOM 0 HD3 ARG A 13 -0.173 -11.352 -0.057 1.00 65.11 H new ATOM 0 HE ARG A 13 1.756 -10.255 1.039 1.00 42.10 H new ATOM 0 HH11 ARG A 13 -0.590 -11.934 3.114 1.00 14.44 H new ATOM 0 HH12 ARG A 13 0.565 -12.173 4.429 1.00 14.44 H new ATOM 0 HH21 ARG A 13 3.223 -10.543 2.755 1.00 61.24 H new ATOM 0 HH22 ARG A 13 2.719 -11.386 4.224 1.00 61.24 H new ATOM 182 N LEU A 14 -2.189 -6.406 -0.268 1.00 12.13 N ATOM 183 CA LEU A 14 -1.685 -5.365 -1.123 1.00 20.54 C ATOM 184 C LEU A 14 -0.175 -5.463 -1.177 1.00 54.23 C ATOM 185 O LEU A 14 0.505 -5.401 -0.134 1.00 21.23 O ATOM 186 CB LEU A 14 -2.091 -3.960 -0.589 1.00 22.23 C ATOM 187 CG LEU A 14 -3.589 -3.593 -0.510 1.00 14.30 C ATOM 188 CD1 LEU A 14 -4.264 -3.637 -1.852 1.00 0.31 C ATOM 189 CD2 LEU A 14 -4.356 -4.414 0.492 1.00 51.42 C ATOM 0 H LEU A 14 -2.099 -6.197 0.726 1.00 12.13 H new ATOM 0 HA LEU A 14 -2.111 -5.491 -2.118 1.00 20.54 H new ATOM 0 HB2 LEU A 14 -1.673 -3.855 0.412 1.00 22.23 H new ATOM 0 HB3 LEU A 14 -1.603 -3.215 -1.218 1.00 22.23 H new ATOM 0 HG LEU A 14 -3.603 -2.562 -0.156 1.00 14.30 H new ATOM 0 HD11 LEU A 14 -5.315 -3.371 -1.740 1.00 0.31 H new ATOM 0 HD12 LEU A 14 -3.781 -2.930 -2.526 1.00 0.31 H new ATOM 0 HD13 LEU A 14 -4.187 -4.643 -2.265 1.00 0.31 H new ATOM 0 HD21 LEU A 14 -5.401 -4.103 0.494 1.00 51.42 H new ATOM 0 HD22 LEU A 14 -4.292 -5.468 0.223 1.00 51.42 H new ATOM 0 HD23 LEU A 14 -3.931 -4.266 1.485 1.00 51.42 H new ATOM 201 N ILE A 15 0.360 -5.647 -2.354 1.00 32.44 N ATOM 202 CA ILE A 15 1.780 -5.716 -2.493 1.00 14.52 C ATOM 203 C ILE A 15 2.278 -4.421 -3.090 1.00 60.45 C ATOM 204 O ILE A 15 1.824 -4.010 -4.165 1.00 23.44 O ATOM 205 CB ILE A 15 2.228 -6.887 -3.385 1.00 14.31 C ATOM 206 CG1 ILE A 15 1.560 -8.199 -2.935 1.00 22.21 C ATOM 207 CG2 ILE A 15 3.746 -7.008 -3.311 1.00 10.23 C ATOM 208 CD1 ILE A 15 1.978 -9.407 -3.741 1.00 13.03 C ATOM 0 H ILE A 15 -0.166 -5.751 -3.222 1.00 32.44 H new ATOM 0 HA ILE A 15 2.202 -5.879 -1.501 1.00 14.52 H new ATOM 0 HB ILE A 15 1.925 -6.696 -4.415 1.00 14.31 H new ATOM 0 HG12 ILE A 15 1.797 -8.375 -1.886 1.00 22.21 H new ATOM 0 HG13 ILE A 15 0.478 -8.086 -3.003 1.00 22.21 H new ATOM 0 HG21 ILE A 15 4.076 -7.835 -3.939 1.00 10.23 H new ATOM 0 HG22 ILE A 15 4.202 -6.082 -3.661 1.00 10.23 H new ATOM 0 HG23 ILE A 15 4.046 -7.194 -2.280 1.00 10.23 H new ATOM 0 HD11 ILE A 15 1.465 -10.292 -3.364 1.00 13.03 H new ATOM 0 HD12 ILE A 15 1.716 -9.254 -4.788 1.00 13.03 H new ATOM 0 HD13 ILE A 15 3.055 -9.548 -3.654 1.00 13.03 H new ATOM 220 N LEU A 16 3.197 -3.795 -2.408 1.00 31.31 N ATOM 221 CA LEU A 16 3.737 -2.507 -2.824 1.00 24.24 C ATOM 222 C LEU A 16 4.783 -2.684 -3.933 1.00 34.33 C ATOM 223 O LEU A 16 5.241 -3.808 -4.194 1.00 32.34 O ATOM 224 CB LEU A 16 4.356 -1.798 -1.616 1.00 31.32 C ATOM 225 CG LEU A 16 3.419 -1.573 -0.419 1.00 52.32 C ATOM 226 CD1 LEU A 16 4.158 -0.896 0.721 1.00 1.21 C ATOM 227 CD2 LEU A 16 2.200 -0.755 -0.831 1.00 14.12 C ATOM 0 H LEU A 16 3.601 -4.155 -1.544 1.00 31.31 H new ATOM 0 HA LEU A 16 2.925 -1.899 -3.223 1.00 24.24 H new ATOM 0 HB2 LEU A 16 5.213 -2.380 -1.278 1.00 31.32 H new ATOM 0 HB3 LEU A 16 4.736 -0.830 -1.942 1.00 31.32 H new ATOM 0 HG LEU A 16 3.073 -2.547 -0.072 1.00 52.32 H new ATOM 0 HD11 LEU A 16 3.476 -0.746 1.558 1.00 1.21 H new ATOM 0 HD12 LEU A 16 4.990 -1.524 1.039 1.00 1.21 H new ATOM 0 HD13 LEU A 16 4.539 0.069 0.386 1.00 1.21 H new ATOM 0 HD21 LEU A 16 1.551 -0.609 0.033 1.00 14.12 H new ATOM 0 HD22 LEU A 16 2.524 0.214 -1.210 1.00 14.12 H new ATOM 0 HD23 LEU A 16 1.653 -1.285 -1.610 1.00 14.12 H new ATOM 239 N VAL A 17 5.182 -1.574 -4.558 1.00 24.44 N ATOM 240 CA VAL A 17 6.147 -1.591 -5.670 1.00 44.15 C ATOM 241 C VAL A 17 7.524 -2.101 -5.216 1.00 44.11 C ATOM 242 O VAL A 17 8.245 -2.737 -5.982 1.00 24.23 O ATOM 243 CB VAL A 17 6.291 -0.184 -6.337 1.00 43.04 C ATOM 244 CG1 VAL A 17 7.262 -0.220 -7.514 1.00 73.24 C ATOM 245 CG2 VAL A 17 4.947 0.316 -6.806 1.00 30.53 C ATOM 0 H VAL A 17 4.850 -0.641 -4.313 1.00 24.44 H new ATOM 0 HA VAL A 17 5.750 -2.282 -6.414 1.00 44.15 H new ATOM 0 HB VAL A 17 6.689 0.496 -5.584 1.00 43.04 H new ATOM 0 HG11 VAL A 17 7.338 0.775 -7.954 1.00 73.24 H new ATOM 0 HG12 VAL A 17 8.244 -0.539 -7.166 1.00 73.24 H new ATOM 0 HG13 VAL A 17 6.898 -0.922 -8.265 1.00 73.24 H new ATOM 0 HG21 VAL A 17 5.064 1.296 -7.268 1.00 30.53 H new ATOM 0 HG22 VAL A 17 4.533 -0.381 -7.535 1.00 30.53 H new ATOM 0 HG23 VAL A 17 4.271 0.395 -5.955 1.00 30.53 H new ATOM 255 N SER A 18 7.876 -1.851 -3.969 1.00 4.34 N ATOM 256 CA SER A 18 9.157 -2.317 -3.439 1.00 41.32 C ATOM 257 C SER A 18 9.118 -3.809 -3.060 1.00 74.22 C ATOM 258 O SER A 18 10.066 -4.331 -2.495 1.00 30.31 O ATOM 259 CB SER A 18 9.572 -1.471 -2.241 1.00 11.24 C ATOM 260 OG SER A 18 9.685 -0.104 -2.608 1.00 34.14 O ATOM 0 H SER A 18 7.303 -1.333 -3.303 1.00 4.34 H new ATOM 0 HA SER A 18 9.899 -2.205 -4.229 1.00 41.32 H new ATOM 0 HB2 SER A 18 8.839 -1.579 -1.442 1.00 11.24 H new ATOM 0 HB3 SER A 18 10.525 -1.828 -1.850 1.00 11.24 H new ATOM 0 HG SER A 18 9.950 0.424 -1.826 1.00 34.14 H new ATOM 266 N GLY A 19 8.016 -4.483 -3.370 1.00 11.23 N ATOM 267 CA GLY A 19 7.910 -5.901 -3.069 1.00 60.11 C ATOM 268 C GLY A 19 7.578 -6.139 -1.618 1.00 42.43 C ATOM 269 O GLY A 19 7.693 -7.252 -1.115 1.00 32.34 O ATOM 0 H GLY A 19 7.197 -4.076 -3.822 1.00 11.23 H new ATOM 0 HA2 GLY A 19 7.140 -6.350 -3.697 1.00 60.11 H new ATOM 0 HA3 GLY A 19 8.850 -6.396 -3.313 1.00 60.11 H new ATOM 273 N LYS A 20 7.171 -5.087 -0.953 1.00 33.22 N ATOM 274 CA LYS A 20 6.801 -5.147 0.439 1.00 42.13 C ATOM 275 C LYS A 20 5.342 -5.502 0.513 1.00 52.11 C ATOM 276 O LYS A 20 4.539 -4.983 -0.268 1.00 23.20 O ATOM 277 CB LYS A 20 7.065 -3.793 1.114 1.00 14.05 C ATOM 278 CG LYS A 20 8.525 -3.334 1.034 1.00 74.01 C ATOM 279 CD LYS A 20 9.508 -4.281 1.755 1.00 63.22 C ATOM 280 CE LYS A 20 9.479 -4.171 3.302 1.00 63.45 C ATOM 281 NZ LYS A 20 8.177 -4.512 3.922 1.00 72.41 N ATOM 0 H LYS A 20 7.086 -4.158 -1.365 1.00 33.22 H new ATOM 0 HA LYS A 20 7.394 -5.899 0.961 1.00 42.13 H new ATOM 0 HB2 LYS A 20 6.431 -3.037 0.651 1.00 14.05 H new ATOM 0 HB3 LYS A 20 6.771 -3.857 2.162 1.00 14.05 H new ATOM 0 HG2 LYS A 20 8.815 -3.251 -0.014 1.00 74.01 H new ATOM 0 HG3 LYS A 20 8.609 -2.337 1.468 1.00 74.01 H new ATOM 0 HD2 LYS A 20 9.280 -5.308 1.471 1.00 63.22 H new ATOM 0 HD3 LYS A 20 10.519 -4.071 1.406 1.00 63.22 H new ATOM 0 HE2 LYS A 20 10.245 -4.828 3.714 1.00 63.45 H new ATOM 0 HE3 LYS A 20 9.746 -3.153 3.585 1.00 63.45 H new ATOM 0 HZ1 LYS A 20 8.338 -4.920 4.865 1.00 72.41 H new ATOM 0 HZ2 LYS A 20 7.599 -3.652 4.011 1.00 72.41 H new ATOM 0 HZ3 LYS A 20 7.679 -5.204 3.326 1.00 72.41 H new ATOM 295 N THR A 21 4.983 -6.372 1.407 1.00 31.44 N ATOM 296 CA THR A 21 3.630 -6.826 1.450 1.00 22.33 C ATOM 297 C THR A 21 2.933 -6.483 2.759 1.00 42.22 C ATOM 298 O THR A 21 3.528 -6.567 3.844 1.00 14.21 O ATOM 299 CB THR A 21 3.540 -8.355 1.204 1.00 65.24 C ATOM 300 OG1 THR A 21 4.300 -9.080 2.189 1.00 31.13 O ATOM 301 CG2 THR A 21 4.051 -8.728 -0.168 1.00 61.54 C ATOM 0 H THR A 21 5.602 -6.777 2.109 1.00 31.44 H new ATOM 0 HA THR A 21 3.114 -6.298 0.648 1.00 22.33 H new ATOM 0 HB THR A 21 2.486 -8.623 1.279 1.00 65.24 H new ATOM 0 HG1 THR A 21 4.764 -9.828 1.759 1.00 31.13 H new ATOM 0 HG21 THR A 21 3.973 -9.807 -0.305 1.00 61.54 H new ATOM 0 HG22 THR A 21 3.456 -8.222 -0.928 1.00 61.54 H new ATOM 0 HG23 THR A 21 5.094 -8.425 -0.263 1.00 61.54 H new ATOM 309 N LYS A 22 1.700 -6.055 2.647 1.00 5.52 N ATOM 310 CA LYS A 22 0.825 -5.888 3.800 1.00 43.32 C ATOM 311 C LYS A 22 -0.511 -6.506 3.480 1.00 23.42 C ATOM 312 O LYS A 22 -0.940 -6.497 2.324 1.00 55.24 O ATOM 313 CB LYS A 22 0.605 -4.428 4.254 1.00 14.20 C ATOM 314 CG LYS A 22 1.808 -3.681 4.832 1.00 25.35 C ATOM 315 CD LYS A 22 1.312 -2.406 5.523 1.00 0.10 C ATOM 316 CE LYS A 22 2.423 -1.523 6.094 1.00 32.12 C ATOM 317 NZ LYS A 22 3.305 -0.954 5.042 1.00 74.53 N ATOM 0 H LYS A 22 1.266 -5.810 1.757 1.00 5.52 H new ATOM 0 HA LYS A 22 1.328 -6.381 4.632 1.00 43.32 H new ATOM 0 HB2 LYS A 22 0.236 -3.862 3.399 1.00 14.20 H new ATOM 0 HB3 LYS A 22 -0.186 -4.424 5.004 1.00 14.20 H new ATOM 0 HG2 LYS A 22 2.339 -4.314 5.543 1.00 25.35 H new ATOM 0 HG3 LYS A 22 2.513 -3.431 4.040 1.00 25.35 H new ATOM 0 HD2 LYS A 22 0.732 -1.822 4.808 1.00 0.10 H new ATOM 0 HD3 LYS A 22 0.635 -2.685 6.331 1.00 0.10 H new ATOM 0 HE2 LYS A 22 1.976 -0.710 6.666 1.00 32.12 H new ATOM 0 HE3 LYS A 22 3.025 -2.108 6.789 1.00 32.12 H new ATOM 0 HZ1 LYS A 22 3.893 -0.201 5.452 1.00 74.53 H new ATOM 0 HZ2 LYS A 22 3.918 -1.703 4.660 1.00 74.53 H new ATOM 0 HZ3 LYS A 22 2.722 -0.560 4.276 1.00 74.53 H new ATOM 331 N GLU A 23 -1.164 -7.042 4.464 1.00 23.32 N ATOM 332 CA GLU A 23 -2.424 -7.678 4.237 1.00 61.32 C ATOM 333 C GLU A 23 -3.392 -7.246 5.330 1.00 22.31 C ATOM 334 O GLU A 23 -3.045 -7.273 6.520 1.00 15.31 O ATOM 335 CB GLU A 23 -2.215 -9.184 4.259 1.00 1.41 C ATOM 336 CG GLU A 23 -3.359 -9.982 3.709 1.00 53.30 C ATOM 337 CD GLU A 23 -3.092 -11.463 3.796 1.00 44.30 C ATOM 338 OE1 GLU A 23 -2.363 -11.994 2.939 1.00 12.11 O ATOM 339 OE2 GLU A 23 -3.584 -12.114 4.735 1.00 53.21 O ATOM 0 H GLU A 23 -0.845 -7.052 5.433 1.00 23.32 H new ATOM 0 HA GLU A 23 -2.840 -7.394 3.270 1.00 61.32 H new ATOM 0 HB2 GLU A 23 -1.317 -9.421 3.689 1.00 1.41 H new ATOM 0 HB3 GLU A 23 -2.032 -9.497 5.287 1.00 1.41 H new ATOM 0 HG2 GLU A 23 -4.269 -9.742 4.259 1.00 53.30 H new ATOM 0 HG3 GLU A 23 -3.532 -9.703 2.670 1.00 53.30 H new ATOM 346 N PHE A 24 -4.576 -6.834 4.936 1.00 71.12 N ATOM 347 CA PHE A 24 -5.588 -6.337 5.866 1.00 32.42 C ATOM 348 C PHE A 24 -6.964 -6.742 5.396 1.00 62.23 C ATOM 349 O PHE A 24 -7.154 -7.092 4.219 1.00 60.24 O ATOM 350 CB PHE A 24 -5.560 -4.797 5.983 1.00 21.13 C ATOM 351 CG PHE A 24 -4.289 -4.194 6.513 1.00 3.20 C ATOM 352 CD1 PHE A 24 -4.066 -4.101 7.874 1.00 14.44 C ATOM 353 CD2 PHE A 24 -3.326 -3.711 5.649 1.00 32.54 C ATOM 354 CE1 PHE A 24 -2.903 -3.536 8.362 1.00 13.42 C ATOM 355 CE2 PHE A 24 -2.166 -3.146 6.129 1.00 54.14 C ATOM 356 CZ PHE A 24 -1.953 -3.058 7.488 1.00 64.43 C ATOM 0 H PHE A 24 -4.874 -6.831 3.960 1.00 71.12 H new ATOM 0 HA PHE A 24 -5.363 -6.771 6.840 1.00 32.42 H new ATOM 0 HB2 PHE A 24 -5.754 -4.375 4.997 1.00 21.13 H new ATOM 0 HB3 PHE A 24 -6.381 -4.488 6.629 1.00 21.13 H new ATOM 0 HD1 PHE A 24 -4.809 -4.474 8.564 1.00 14.44 H new ATOM 0 HD2 PHE A 24 -3.485 -3.777 4.583 1.00 32.54 H new ATOM 0 HE1 PHE A 24 -2.740 -3.470 9.428 1.00 13.42 H new ATOM 0 HE2 PHE A 24 -1.423 -2.772 5.441 1.00 54.14 H new ATOM 0 HZ PHE A 24 -1.043 -2.615 7.866 1.00 64.43 H new ATOM 366 N LEU A 25 -7.914 -6.729 6.295 1.00 53.21 N ATOM 367 CA LEU A 25 -9.280 -6.958 5.916 1.00 70.04 C ATOM 368 C LEU A 25 -9.858 -5.652 5.402 1.00 35.13 C ATOM 369 O LEU A 25 -9.809 -4.622 6.089 1.00 52.13 O ATOM 370 CB LEU A 25 -10.120 -7.446 7.106 1.00 14.22 C ATOM 371 CG LEU A 25 -9.750 -8.794 7.726 1.00 21.21 C ATOM 372 CD1 LEU A 25 -10.656 -9.081 8.911 1.00 42.14 C ATOM 373 CD2 LEU A 25 -9.874 -9.905 6.697 1.00 53.12 C ATOM 0 H LEU A 25 -7.766 -6.563 7.290 1.00 53.21 H new ATOM 0 HA LEU A 25 -9.306 -7.730 5.147 1.00 70.04 H new ATOM 0 HB2 LEU A 25 -10.066 -6.689 7.889 1.00 14.22 H new ATOM 0 HB3 LEU A 25 -11.160 -7.498 6.785 1.00 14.22 H new ATOM 0 HG LEU A 25 -8.715 -8.751 8.066 1.00 21.21 H new ATOM 0 HD11 LEU A 25 -10.388 -10.042 9.349 1.00 42.14 H new ATOM 0 HD12 LEU A 25 -10.538 -8.296 9.658 1.00 42.14 H new ATOM 0 HD13 LEU A 25 -11.693 -9.111 8.577 1.00 42.14 H new ATOM 0 HD21 LEU A 25 -9.607 -10.857 7.156 1.00 53.12 H new ATOM 0 HD22 LEU A 25 -10.901 -9.952 6.334 1.00 53.12 H new ATOM 0 HD23 LEU A 25 -9.203 -9.704 5.862 1.00 53.12 H new ATOM 385 N PHE A 26 -10.390 -5.686 4.225 1.00 74.05 N ATOM 386 CA PHE A 26 -11.025 -4.538 3.630 1.00 3.11 C ATOM 387 C PHE A 26 -12.389 -4.943 3.148 1.00 15.21 C ATOM 388 O PHE A 26 -12.750 -6.121 3.209 1.00 53.43 O ATOM 389 CB PHE A 26 -10.191 -3.942 2.470 1.00 54.34 C ATOM 390 CG PHE A 26 -8.891 -3.270 2.878 1.00 54.44 C ATOM 391 CD1 PHE A 26 -8.895 -1.959 3.337 1.00 33.23 C ATOM 392 CD2 PHE A 26 -7.673 -3.929 2.778 1.00 73.10 C ATOM 393 CE1 PHE A 26 -7.718 -1.324 3.685 1.00 74.54 C ATOM 394 CE2 PHE A 26 -6.501 -3.300 3.129 1.00 4.53 C ATOM 395 CZ PHE A 26 -6.517 -1.999 3.583 1.00 12.23 C ATOM 0 H PHE A 26 -10.400 -6.518 3.635 1.00 74.05 H new ATOM 0 HA PHE A 26 -11.107 -3.756 4.384 1.00 3.11 H new ATOM 0 HB2 PHE A 26 -9.961 -4.740 1.763 1.00 54.34 H new ATOM 0 HB3 PHE A 26 -10.806 -3.214 1.940 1.00 54.34 H new ATOM 0 HD1 PHE A 26 -9.832 -1.428 3.423 1.00 33.23 H new ATOM 0 HD2 PHE A 26 -7.645 -4.948 2.420 1.00 73.10 H new ATOM 0 HE1 PHE A 26 -7.737 -0.303 4.036 1.00 74.54 H new ATOM 0 HE2 PHE A 26 -5.563 -3.829 3.048 1.00 4.53 H new ATOM 0 HZ PHE A 26 -5.595 -1.509 3.858 1.00 12.23 H new ATOM 405 N SER A 27 -13.149 -4.020 2.698 1.00 41.03 N ATOM 406 CA SER A 27 -14.434 -4.340 2.220 1.00 44.11 C ATOM 407 C SER A 27 -14.358 -4.392 0.719 1.00 3.21 C ATOM 408 O SER A 27 -13.505 -3.732 0.117 1.00 75.43 O ATOM 409 CB SER A 27 -15.474 -3.303 2.679 1.00 22.40 C ATOM 410 OG SER A 27 -15.217 -2.024 2.139 1.00 3.24 O ATOM 0 H SER A 27 -12.901 -3.032 2.651 1.00 41.03 H new ATOM 0 HA SER A 27 -14.753 -5.302 2.620 1.00 44.11 H new ATOM 0 HB2 SER A 27 -16.470 -3.630 2.379 1.00 22.40 H new ATOM 0 HB3 SER A 27 -15.472 -3.244 3.767 1.00 22.40 H new ATOM 0 HG SER A 27 -14.335 -1.716 2.434 1.00 3.24 H new ATOM 416 N PRO A 28 -15.219 -5.162 0.082 1.00 43.13 N ATOM 417 CA PRO A 28 -15.266 -5.260 -1.375 1.00 4.21 C ATOM 418 C PRO A 28 -15.597 -3.907 -2.039 1.00 63.34 C ATOM 419 O PRO A 28 -15.446 -3.738 -3.255 1.00 33.01 O ATOM 420 CB PRO A 28 -16.375 -6.294 -1.609 1.00 74.12 C ATOM 421 CG PRO A 28 -17.198 -6.219 -0.379 1.00 62.02 C ATOM 422 CD PRO A 28 -16.210 -6.044 0.710 1.00 23.02 C ATOM 0 HA PRO A 28 -14.309 -5.545 -1.813 1.00 4.21 H new ATOM 0 HB2 PRO A 28 -16.961 -6.057 -2.497 1.00 74.12 H new ATOM 0 HB3 PRO A 28 -15.965 -7.293 -1.755 1.00 74.12 H new ATOM 0 HG2 PRO A 28 -17.898 -5.385 -0.419 1.00 62.02 H new ATOM 0 HG3 PRO A 28 -17.788 -7.125 -0.239 1.00 62.02 H new ATOM 0 HD2 PRO A 28 -16.655 -5.592 1.596 1.00 23.02 H new ATOM 0 HD3 PRO A 28 -15.773 -6.993 1.021 1.00 23.02 H new ATOM 430 N ASN A 29 -16.014 -2.950 -1.217 1.00 44.41 N ATOM 431 CA ASN A 29 -16.405 -1.635 -1.669 1.00 40.42 C ATOM 432 C ASN A 29 -15.276 -0.622 -1.540 1.00 74.41 C ATOM 433 O ASN A 29 -15.434 0.525 -1.944 1.00 34.53 O ATOM 434 CB ASN A 29 -17.633 -1.143 -0.901 1.00 31.20 C ATOM 435 CG ASN A 29 -18.839 -2.023 -1.120 1.00 13.24 C ATOM 436 OD1 ASN A 29 -19.065 -2.995 -0.385 1.00 53.34 O ATOM 437 ND2 ASN A 29 -19.623 -1.705 -2.122 1.00 21.21 N ATOM 0 H ASN A 29 -16.088 -3.075 -0.207 1.00 44.41 H new ATOM 0 HA ASN A 29 -16.651 -1.725 -2.727 1.00 40.42 H new ATOM 0 HB2 ASN A 29 -17.402 -1.106 0.164 1.00 31.20 H new ATOM 0 HB3 ASN A 29 -17.868 -0.125 -1.211 1.00 31.20 H new ATOM 0 HD21 ASN A 29 -20.452 -2.265 -2.319 1.00 21.21 H new ATOM 0 HD22 ASN A 29 -19.404 -0.897 -2.705 1.00 21.21 H new ATOM 444 N ASP A 30 -14.146 -1.023 -0.971 1.00 21.12 N ATOM 445 CA ASP A 30 -13.004 -0.093 -0.869 1.00 2.44 C ATOM 446 C ASP A 30 -12.326 0.083 -2.222 1.00 35.22 C ATOM 447 O ASP A 30 -12.397 -0.798 -3.086 1.00 32.32 O ATOM 448 CB ASP A 30 -11.962 -0.518 0.187 1.00 42.23 C ATOM 449 CG ASP A 30 -12.442 -0.438 1.616 1.00 52.15 C ATOM 450 OD1 ASP A 30 -12.567 0.667 2.162 1.00 64.54 O ATOM 451 OD2 ASP A 30 -12.707 -1.474 2.225 1.00 22.31 O ATOM 0 H ASP A 30 -13.987 -1.952 -0.582 1.00 21.12 H new ATOM 0 HA ASP A 30 -13.422 0.859 -0.540 1.00 2.44 H new ATOM 0 HB2 ASP A 30 -11.651 -1.542 -0.021 1.00 42.23 H new ATOM 0 HB3 ASP A 30 -11.078 0.111 0.079 1.00 42.23 H new ATOM 456 N SER A 31 -11.693 1.216 -2.423 1.00 74.21 N ATOM 457 CA SER A 31 -10.994 1.472 -3.654 1.00 32.00 C ATOM 458 C SER A 31 -9.531 1.061 -3.536 1.00 71.20 C ATOM 459 O SER A 31 -8.801 1.586 -2.702 1.00 21.41 O ATOM 460 CB SER A 31 -11.115 2.943 -4.030 1.00 23.13 C ATOM 461 OG SER A 31 -12.474 3.301 -4.202 1.00 54.43 O ATOM 0 H SER A 31 -11.650 1.976 -1.744 1.00 74.21 H new ATOM 0 HA SER A 31 -11.449 0.875 -4.445 1.00 32.00 H new ATOM 0 HB2 SER A 31 -10.666 3.561 -3.253 1.00 23.13 H new ATOM 0 HB3 SER A 31 -10.563 3.136 -4.950 1.00 23.13 H new ATOM 0 HG SER A 31 -12.535 4.249 -4.442 1.00 54.43 H new ATOM 467 N ALA A 32 -9.127 0.127 -4.390 1.00 23.41 N ATOM 468 CA ALA A 32 -7.766 -0.458 -4.440 1.00 51.23 C ATOM 469 C ALA A 32 -6.642 0.590 -4.352 1.00 10.43 C ATOM 470 O ALA A 32 -5.664 0.372 -3.667 1.00 1.44 O ATOM 471 CB ALA A 32 -7.634 -1.218 -5.734 1.00 72.05 C ATOM 0 H ALA A 32 -9.749 -0.266 -5.096 1.00 23.41 H new ATOM 0 HA ALA A 32 -7.652 -1.105 -3.570 1.00 51.23 H new ATOM 0 HB1 ALA A 32 -6.639 -1.660 -5.797 1.00 72.05 H new ATOM 0 HB2 ALA A 32 -8.385 -2.007 -5.770 1.00 72.05 H new ATOM 0 HB3 ALA A 32 -7.782 -0.537 -6.572 1.00 72.05 H new ATOM 477 N SER A 33 -6.792 1.709 -5.039 1.00 75.42 N ATOM 478 CA SER A 33 -5.766 2.747 -5.037 1.00 15.51 C ATOM 479 C SER A 33 -5.668 3.444 -3.673 1.00 53.14 C ATOM 480 O SER A 33 -4.570 3.726 -3.179 1.00 44.31 O ATOM 481 CB SER A 33 -6.064 3.750 -6.131 1.00 35.54 C ATOM 482 OG SER A 33 -7.410 4.201 -6.037 1.00 42.51 O ATOM 0 H SER A 33 -7.612 1.926 -5.606 1.00 75.42 H new ATOM 0 HA SER A 33 -4.800 2.279 -5.227 1.00 15.51 H new ATOM 0 HB2 SER A 33 -5.383 4.598 -6.051 1.00 35.54 H new ATOM 0 HB3 SER A 33 -5.894 3.295 -7.107 1.00 35.54 H new ATOM 0 HG SER A 33 -7.471 5.120 -6.372 1.00 42.51 H new ATOM 488 N ASP A 34 -6.824 3.712 -3.074 1.00 42.24 N ATOM 489 CA ASP A 34 -6.892 4.321 -1.746 1.00 30.30 C ATOM 490 C ASP A 34 -6.268 3.358 -0.774 1.00 53.11 C ATOM 491 O ASP A 34 -5.487 3.741 0.095 1.00 75.30 O ATOM 492 CB ASP A 34 -8.357 4.575 -1.346 1.00 32.22 C ATOM 493 CG ASP A 34 -8.514 5.235 0.021 1.00 64.50 C ATOM 494 OD1 ASP A 34 -8.623 4.513 1.042 1.00 24.41 O ATOM 495 OD2 ASP A 34 -8.575 6.476 0.089 1.00 71.15 O ATOM 0 H ASP A 34 -7.735 3.516 -3.490 1.00 42.24 H new ATOM 0 HA ASP A 34 -6.367 5.276 -1.744 1.00 30.30 H new ATOM 0 HB2 ASP A 34 -8.826 5.206 -2.101 1.00 32.22 H new ATOM 0 HB3 ASP A 34 -8.894 3.626 -1.345 1.00 32.22 H new ATOM 500 N ILE A 35 -6.593 2.089 -0.969 1.00 75.03 N ATOM 501 CA ILE A 35 -6.064 1.023 -0.170 1.00 44.21 C ATOM 502 C ILE A 35 -4.547 0.951 -0.316 1.00 72.05 C ATOM 503 O ILE A 35 -3.858 0.895 0.664 1.00 72.43 O ATOM 504 CB ILE A 35 -6.661 -0.338 -0.557 1.00 65.53 C ATOM 505 CG1 ILE A 35 -8.167 -0.353 -0.402 1.00 0.44 C ATOM 506 CG2 ILE A 35 -6.067 -1.404 0.297 1.00 5.51 C ATOM 507 CD1 ILE A 35 -8.776 -1.678 -0.772 1.00 74.30 C ATOM 0 H ILE A 35 -7.238 1.780 -1.696 1.00 75.03 H new ATOM 0 HA ILE A 35 -6.334 1.240 0.864 1.00 44.21 H new ATOM 0 HB ILE A 35 -6.427 -0.520 -1.606 1.00 65.53 H new ATOM 0 HG12 ILE A 35 -8.424 -0.115 0.630 1.00 0.44 H new ATOM 0 HG13 ILE A 35 -8.600 0.428 -1.027 1.00 0.44 H new ATOM 0 HG21 ILE A 35 -6.491 -2.369 0.022 1.00 5.51 H new ATOM 0 HG22 ILE A 35 -4.987 -1.427 0.151 1.00 5.51 H new ATOM 0 HG23 ILE A 35 -6.287 -1.196 1.344 1.00 5.51 H new ATOM 0 HD11 ILE A 35 -9.857 -1.631 -0.642 1.00 74.30 H new ATOM 0 HD12 ILE A 35 -8.546 -1.906 -1.813 1.00 74.30 H new ATOM 0 HD13 ILE A 35 -8.367 -2.458 -0.130 1.00 74.30 H new ATOM 519 N ALA A 36 -4.062 0.959 -1.555 1.00 11.25 N ATOM 520 CA ALA A 36 -2.633 0.928 -1.873 1.00 65.33 C ATOM 521 C ALA A 36 -1.854 1.974 -1.097 1.00 0.31 C ATOM 522 O ALA A 36 -0.795 1.686 -0.555 1.00 12.30 O ATOM 523 CB ALA A 36 -2.427 1.155 -3.360 1.00 73.22 C ATOM 0 H ALA A 36 -4.659 0.988 -2.381 1.00 11.25 H new ATOM 0 HA ALA A 36 -2.259 -0.055 -1.586 1.00 65.33 H new ATOM 0 HB1 ALA A 36 -1.361 1.130 -3.588 1.00 73.22 H new ATOM 0 HB2 ALA A 36 -2.936 0.372 -3.922 1.00 73.22 H new ATOM 0 HB3 ALA A 36 -2.835 2.126 -3.640 1.00 73.22 H new ATOM 529 N LYS A 37 -2.373 3.178 -1.037 1.00 41.22 N ATOM 530 CA LYS A 37 -1.697 4.225 -0.321 1.00 11.42 C ATOM 531 C LYS A 37 -1.845 3.957 1.199 1.00 1.35 C ATOM 532 O LYS A 37 -0.892 4.086 1.956 1.00 4.32 O ATOM 533 CB LYS A 37 -2.264 5.596 -0.749 1.00 11.41 C ATOM 534 CG LYS A 37 -1.372 6.811 -0.444 1.00 25.11 C ATOM 535 CD LYS A 37 -1.182 7.080 1.040 1.00 61.22 C ATOM 536 CE LYS A 37 -0.138 8.153 1.296 1.00 73.22 C ATOM 537 NZ LYS A 37 -0.444 9.438 0.630 1.00 52.02 N ATOM 0 H LYS A 37 -3.254 3.452 -1.472 1.00 41.22 H new ATOM 0 HA LYS A 37 -0.632 4.240 -0.555 1.00 11.42 H new ATOM 0 HB2 LYS A 37 -2.457 5.570 -1.822 1.00 11.41 H new ATOM 0 HB3 LYS A 37 -3.225 5.741 -0.256 1.00 11.41 H new ATOM 0 HG2 LYS A 37 -0.395 6.656 -0.903 1.00 25.11 H new ATOM 0 HG3 LYS A 37 -1.807 7.695 -0.910 1.00 25.11 H new ATOM 0 HD2 LYS A 37 -2.132 7.387 1.477 1.00 61.22 H new ATOM 0 HD3 LYS A 37 -0.884 6.158 1.540 1.00 61.22 H new ATOM 0 HE2 LYS A 37 -0.054 8.319 2.370 1.00 73.22 H new ATOM 0 HE3 LYS A 37 0.832 7.795 0.952 1.00 73.22 H new ATOM 0 HZ1 LYS A 37 0.259 10.151 0.911 1.00 52.02 H new ATOM 0 HZ2 LYS A 37 -0.414 9.310 -0.402 1.00 52.02 H new ATOM 0 HZ3 LYS A 37 -1.393 9.758 0.911 1.00 52.02 H new ATOM 551 N HIS A 38 -3.045 3.536 1.591 1.00 44.42 N ATOM 552 CA HIS A 38 -3.404 3.199 2.987 1.00 52.42 C ATOM 553 C HIS A 38 -2.457 2.114 3.547 1.00 70.41 C ATOM 554 O HIS A 38 -1.996 2.192 4.679 1.00 75.42 O ATOM 555 CB HIS A 38 -4.867 2.689 2.985 1.00 35.33 C ATOM 556 CG HIS A 38 -5.477 2.306 4.303 1.00 35.43 C ATOM 557 ND1 HIS A 38 -6.584 2.931 4.809 1.00 11.33 N ATOM 558 CD2 HIS A 38 -5.193 1.301 5.167 1.00 4.14 C ATOM 559 CE1 HIS A 38 -6.957 2.337 5.918 1.00 2.12 C ATOM 560 NE2 HIS A 38 -6.131 1.345 6.157 1.00 34.34 N ATOM 0 H HIS A 38 -3.820 3.413 0.940 1.00 44.42 H new ATOM 0 HA HIS A 38 -3.307 4.078 3.624 1.00 52.42 H new ATOM 0 HB2 HIS A 38 -5.491 3.464 2.540 1.00 35.33 H new ATOM 0 HB3 HIS A 38 -4.918 1.821 2.327 1.00 35.33 H new ATOM 0 HD2 HIS A 38 -4.377 0.598 5.087 1.00 4.14 H new ATOM 0 HE1 HIS A 38 -7.801 2.617 6.531 1.00 2.12 H new ATOM 0 HE2 HIS A 38 -6.182 0.710 6.954 1.00 34.34 H new ATOM 569 N VAL A 39 -2.225 1.102 2.745 1.00 4.13 N ATOM 570 CA VAL A 39 -1.350 -0.001 3.080 1.00 74.43 C ATOM 571 C VAL A 39 0.113 0.374 2.931 1.00 22.34 C ATOM 572 O VAL A 39 0.965 -0.205 3.589 1.00 71.45 O ATOM 573 CB VAL A 39 -1.676 -1.271 2.298 1.00 62.13 C ATOM 574 CG1 VAL A 39 -3.099 -1.714 2.608 1.00 53.22 C ATOM 575 CG2 VAL A 39 -1.508 -1.035 0.835 1.00 12.32 C ATOM 0 H VAL A 39 -2.648 1.019 1.820 1.00 4.13 H new ATOM 0 HA VAL A 39 -1.532 -0.223 4.132 1.00 74.43 H new ATOM 0 HB VAL A 39 -0.988 -2.061 2.598 1.00 62.13 H new ATOM 0 HG11 VAL A 39 -3.328 -2.621 2.048 1.00 53.22 H new ATOM 0 HG12 VAL A 39 -3.194 -1.913 3.675 1.00 53.22 H new ATOM 0 HG13 VAL A 39 -3.796 -0.926 2.323 1.00 53.22 H new ATOM 0 HG21 VAL A 39 -1.744 -1.949 0.290 1.00 12.32 H new ATOM 0 HG22 VAL A 39 -2.180 -0.238 0.515 1.00 12.32 H new ATOM 0 HG23 VAL A 39 -0.478 -0.745 0.629 1.00 12.32 H new ATOM 585 N TYR A 40 0.404 1.305 2.002 1.00 64.32 N ATOM 586 CA TYR A 40 1.772 1.813 1.797 1.00 74.34 C ATOM 587 C TYR A 40 2.365 2.153 3.155 1.00 12.13 C ATOM 588 O TYR A 40 3.462 1.711 3.457 1.00 22.11 O ATOM 589 CB TYR A 40 1.759 3.051 0.871 1.00 50.43 C ATOM 590 CG TYR A 40 3.122 3.573 0.441 1.00 64.13 C ATOM 591 CD1 TYR A 40 3.773 3.023 -0.654 1.00 44.12 C ATOM 592 CD2 TYR A 40 3.743 4.629 1.107 1.00 1.11 C ATOM 593 CE1 TYR A 40 4.998 3.499 -1.075 1.00 65.33 C ATOM 594 CE2 TYR A 40 4.977 5.110 0.687 1.00 70.11 C ATOM 595 CZ TYR A 40 5.595 4.537 -0.404 1.00 13.33 C ATOM 596 OH TYR A 40 6.821 5.013 -0.841 1.00 34.12 O ATOM 0 H TYR A 40 -0.291 1.720 1.382 1.00 64.32 H new ATOM 0 HA TYR A 40 2.384 1.052 1.312 1.00 74.34 H new ATOM 0 HB2 TYR A 40 1.187 2.806 -0.024 1.00 50.43 H new ATOM 0 HB3 TYR A 40 1.227 3.855 1.379 1.00 50.43 H new ATOM 0 HD1 TYR A 40 3.311 2.205 -1.188 1.00 44.12 H new ATOM 0 HD2 TYR A 40 3.258 5.079 1.961 1.00 1.11 H new ATOM 0 HE1 TYR A 40 5.486 3.056 -1.931 1.00 65.33 H new ATOM 0 HE2 TYR A 40 5.449 5.927 1.212 1.00 70.11 H new ATOM 0 HH TYR A 40 7.111 5.749 -0.263 1.00 34.12 H new ATOM 870 N LEU A 58 -1.774 5.812 -9.268 1.00 34.54 N ATOM 871 CA LEU A 58 -2.379 4.757 -8.493 1.00 15.23 C ATOM 872 C LEU A 58 -3.221 3.895 -9.375 1.00 70.53 C ATOM 873 O LEU A 58 -4.286 4.314 -9.838 1.00 20.10 O ATOM 874 CB LEU A 58 -3.245 5.313 -7.346 1.00 64.41 C ATOM 875 CG LEU A 58 -2.546 6.117 -6.236 1.00 43.02 C ATOM 876 CD1 LEU A 58 -3.559 6.588 -5.207 1.00 71.34 C ATOM 877 CD2 LEU A 58 -1.468 5.287 -5.565 1.00 60.51 C ATOM 0 HA LEU A 58 -1.573 4.169 -8.055 1.00 15.23 H new ATOM 0 HB2 LEU A 58 -4.013 5.949 -7.786 1.00 64.41 H new ATOM 0 HB3 LEU A 58 -3.757 4.473 -6.877 1.00 64.41 H new ATOM 0 HG LEU A 58 -2.075 6.988 -6.693 1.00 43.02 H new ATOM 0 HD11 LEU A 58 -3.050 7.155 -4.428 1.00 71.34 H new ATOM 0 HD12 LEU A 58 -4.301 7.222 -5.691 1.00 71.34 H new ATOM 0 HD13 LEU A 58 -4.054 5.725 -4.762 1.00 71.34 H new ATOM 0 HD21 LEU A 58 -0.988 5.877 -4.784 1.00 60.51 H new ATOM 0 HD22 LEU A 58 -1.916 4.397 -5.124 1.00 60.51 H new ATOM 0 HD23 LEU A 58 -0.724 4.990 -6.304 1.00 60.51 H new ATOM 889 N ARG A 59 -2.746 2.723 -9.632 1.00 73.43 N ATOM 890 CA ARG A 59 -3.460 1.766 -10.422 1.00 40.33 C ATOM 891 C ARG A 59 -3.217 0.370 -9.917 1.00 11.44 C ATOM 892 O ARG A 59 -2.140 0.066 -9.381 1.00 51.21 O ATOM 893 CB ARG A 59 -3.199 1.935 -11.933 1.00 21.42 C ATOM 894 CG ARG A 59 -1.748 2.060 -12.344 1.00 42.41 C ATOM 895 CD ARG A 59 -1.640 2.235 -13.849 1.00 0.21 C ATOM 896 NE ARG A 59 -0.247 2.356 -14.316 1.00 4.30 N ATOM 897 CZ ARG A 59 0.153 2.087 -15.571 1.00 33.23 C ATOM 898 NH1 ARG A 59 -0.714 1.633 -16.469 1.00 35.13 N ATOM 899 NH2 ARG A 59 1.417 2.261 -15.913 1.00 3.41 N ATOM 0 H ARG A 59 -1.840 2.395 -9.297 1.00 73.43 H new ATOM 0 HA ARG A 59 -4.526 1.959 -10.304 1.00 40.33 H new ATOM 0 HB2 ARG A 59 -3.632 1.081 -12.454 1.00 21.42 H new ATOM 0 HB3 ARG A 59 -3.731 2.822 -12.277 1.00 21.42 H new ATOM 0 HG2 ARG A 59 -1.292 2.911 -11.838 1.00 42.41 H new ATOM 0 HG3 ARG A 59 -1.197 1.172 -12.034 1.00 42.41 H new ATOM 0 HD2 ARG A 59 -2.110 1.385 -14.343 1.00 0.21 H new ATOM 0 HD3 ARG A 59 -2.196 3.124 -14.147 1.00 0.21 H new ATOM 0 HE ARG A 59 0.457 2.663 -13.645 1.00 4.30 H new ATOM 0 HH11 ARG A 59 -1.689 1.487 -16.208 1.00 35.13 H new ATOM 0 HH12 ARG A 59 -0.405 1.431 -17.420 1.00 35.13 H new ATOM 0 HH21 ARG A 59 2.090 2.599 -15.225 1.00 3.41 H new ATOM 0 HH22 ARG A 59 1.720 2.057 -16.865 1.00 3.41 H new ATOM 913 N LEU A 60 -4.210 -0.467 -10.058 1.00 64.22 N ATOM 914 CA LEU A 60 -4.154 -1.797 -9.508 1.00 33.31 C ATOM 915 C LEU A 60 -3.839 -2.847 -10.530 1.00 22.20 C ATOM 916 O LEU A 60 -4.434 -2.886 -11.611 1.00 34.41 O ATOM 917 CB LEU A 60 -5.435 -2.197 -8.744 1.00 12.53 C ATOM 918 CG LEU A 60 -6.771 -2.114 -9.501 1.00 63.40 C ATOM 919 CD1 LEU A 60 -7.787 -2.998 -8.832 1.00 44.32 C ATOM 920 CD2 LEU A 60 -7.296 -0.698 -9.478 1.00 52.22 C ATOM 0 H LEU A 60 -5.075 -0.250 -10.553 1.00 64.22 H new ATOM 0 HA LEU A 60 -3.330 -1.752 -8.796 1.00 33.31 H new ATOM 0 HB2 LEU A 60 -5.311 -3.222 -8.393 1.00 12.53 H new ATOM 0 HB3 LEU A 60 -5.510 -1.564 -7.860 1.00 12.53 H new ATOM 0 HG LEU A 60 -6.604 -2.433 -10.530 1.00 63.40 H new ATOM 0 HD11 LEU A 60 -8.733 -2.937 -9.370 1.00 44.32 H new ATOM 0 HD12 LEU A 60 -7.432 -4.029 -8.837 1.00 44.32 H new ATOM 0 HD13 LEU A 60 -7.934 -2.670 -7.803 1.00 44.32 H new ATOM 0 HD21 LEU A 60 -8.242 -0.652 -10.017 1.00 52.22 H new ATOM 0 HD22 LEU A 60 -7.451 -0.384 -8.446 1.00 52.22 H new ATOM 0 HD23 LEU A 60 -6.574 -0.035 -9.955 1.00 52.22 H new ATOM 932 N ILE A 61 -2.921 -3.699 -10.169 1.00 13.01 N ATOM 933 CA ILE A 61 -2.543 -4.825 -10.958 1.00 2.00 C ATOM 934 C ILE A 61 -3.194 -6.043 -10.344 1.00 42.14 C ATOM 935 O ILE A 61 -2.915 -6.409 -9.183 1.00 30.33 O ATOM 936 CB ILE A 61 -1.014 -5.014 -10.932 1.00 41.13 C ATOM 937 CG1 ILE A 61 -0.331 -3.788 -11.502 1.00 32.54 C ATOM 938 CG2 ILE A 61 -0.600 -6.272 -11.699 1.00 62.13 C ATOM 939 CD1 ILE A 61 1.176 -3.817 -11.417 1.00 51.41 C ATOM 0 H ILE A 61 -2.404 -3.622 -9.293 1.00 13.01 H new ATOM 0 HA ILE A 61 -2.857 -4.678 -11.991 1.00 2.00 H new ATOM 0 HB ILE A 61 -0.700 -5.141 -9.896 1.00 41.13 H new ATOM 0 HG12 ILE A 61 -0.622 -3.678 -12.547 1.00 32.54 H new ATOM 0 HG13 ILE A 61 -0.696 -2.906 -10.975 1.00 32.54 H new ATOM 0 HG21 ILE A 61 0.484 -6.379 -11.664 1.00 62.13 H new ATOM 0 HG22 ILE A 61 -1.066 -7.146 -11.244 1.00 62.13 H new ATOM 0 HG23 ILE A 61 -0.923 -6.188 -12.737 1.00 62.13 H new ATOM 0 HD11 ILE A 61 1.582 -2.902 -11.847 1.00 51.41 H new ATOM 0 HD12 ILE A 61 1.480 -3.893 -10.373 1.00 51.41 H new ATOM 0 HD13 ILE A 61 1.555 -4.677 -11.969 1.00 51.41 H new ATOM 951 N TYR A 62 -4.021 -6.690 -11.092 1.00 1.15 N ATOM 952 CA TYR A 62 -4.732 -7.812 -10.578 1.00 62.34 C ATOM 953 C TYR A 62 -4.080 -9.072 -11.063 1.00 65.31 C ATOM 954 O TYR A 62 -4.550 -9.728 -12.000 1.00 1.24 O ATOM 955 CB TYR A 62 -6.217 -7.717 -10.944 1.00 51.10 C ATOM 956 CG TYR A 62 -7.129 -8.807 -10.410 1.00 71.11 C ATOM 957 CD1 TYR A 62 -7.222 -9.065 -9.053 1.00 52.14 C ATOM 958 CD2 TYR A 62 -7.929 -9.547 -11.274 1.00 41.55 C ATOM 959 CE1 TYR A 62 -8.080 -10.026 -8.565 1.00 43.52 C ATOM 960 CE2 TYR A 62 -8.787 -10.514 -10.799 1.00 43.24 C ATOM 961 CZ TYR A 62 -8.865 -10.747 -9.448 1.00 31.31 C ATOM 962 OH TYR A 62 -9.727 -11.707 -8.974 1.00 32.50 O ATOM 0 H TYR A 62 -4.223 -6.461 -12.065 1.00 1.15 H new ATOM 0 HA TYR A 62 -4.691 -7.823 -9.489 1.00 62.34 H new ATOM 0 HB2 TYR A 62 -6.593 -6.757 -10.590 1.00 51.10 H new ATOM 0 HB3 TYR A 62 -6.298 -7.709 -12.031 1.00 51.10 H new ATOM 0 HD1 TYR A 62 -6.610 -8.502 -8.364 1.00 52.14 H new ATOM 0 HD2 TYR A 62 -7.877 -9.360 -12.336 1.00 41.55 H new ATOM 0 HE1 TYR A 62 -8.140 -10.215 -7.503 1.00 43.52 H new ATOM 0 HE2 TYR A 62 -9.395 -11.086 -11.485 1.00 43.24 H new ATOM 0 HH TYR A 62 -10.643 -11.358 -8.984 1.00 32.50 H new ATOM 972 N GLN A 63 -2.919 -9.336 -10.457 1.00 50.13 N ATOM 973 CA GLN A 63 -2.053 -10.468 -10.740 1.00 31.24 C ATOM 974 C GLN A 63 -1.357 -10.362 -12.101 1.00 21.54 C ATOM 975 O GLN A 63 -0.136 -10.519 -12.190 1.00 73.00 O ATOM 976 CB GLN A 63 -2.782 -11.790 -10.540 1.00 2.42 C ATOM 977 CG GLN A 63 -3.213 -12.015 -9.097 1.00 11.44 C ATOM 978 CD GLN A 63 -4.088 -13.236 -8.919 1.00 74.22 C ATOM 979 OE1 GLN A 63 -3.607 -14.346 -8.676 1.00 44.22 O ATOM 980 NE2 GLN A 63 -5.374 -13.047 -9.036 1.00 32.15 N ATOM 0 H GLN A 63 -2.546 -8.734 -9.723 1.00 50.13 H new ATOM 0 HA GLN A 63 -1.245 -10.442 -10.008 1.00 31.24 H new ATOM 0 HB2 GLN A 63 -3.660 -11.816 -11.185 1.00 2.42 H new ATOM 0 HB3 GLN A 63 -2.133 -12.608 -10.852 1.00 2.42 H new ATOM 0 HG2 GLN A 63 -2.326 -12.117 -8.472 1.00 11.44 H new ATOM 0 HG3 GLN A 63 -3.752 -11.136 -8.744 1.00 11.44 H new ATOM 0 HE21 GLN A 63 -5.736 -12.115 -9.237 1.00 32.15 H new ATOM 0 HE22 GLN A 63 -6.017 -13.831 -8.926 1.00 32.15 H new ATOM 989 N GLY A 64 -2.114 -10.062 -13.129 1.00 25.31 N ATOM 990 CA GLY A 64 -1.560 -9.947 -14.446 1.00 12.42 C ATOM 991 C GLY A 64 -1.367 -8.511 -14.889 1.00 41.52 C ATOM 992 O GLY A 64 -0.236 -8.057 -15.057 1.00 54.10 O ATOM 0 H GLY A 64 -3.118 -9.894 -13.073 1.00 25.31 H new ATOM 0 HA2 GLY A 64 -0.600 -10.462 -14.475 1.00 12.42 H new ATOM 0 HA3 GLY A 64 -2.215 -10.454 -15.154 1.00 12.42 H new ATOM 996 N ARG A 65 -2.454 -7.782 -15.051 1.00 73.12 N ATOM 997 CA ARG A 65 -2.357 -6.438 -15.590 1.00 41.42 C ATOM 998 C ARG A 65 -3.119 -5.418 -14.762 1.00 61.24 C ATOM 999 O ARG A 65 -3.791 -5.773 -13.780 1.00 42.13 O ATOM 1000 CB ARG A 65 -2.744 -6.413 -17.104 1.00 65.22 C ATOM 1001 CG ARG A 65 -4.185 -6.840 -17.491 1.00 31.04 C ATOM 1002 CD ARG A 65 -5.242 -5.803 -17.117 1.00 50.03 C ATOM 1003 NE ARG A 65 -6.597 -6.198 -17.526 1.00 15.34 N ATOM 1004 CZ ARG A 65 -7.645 -5.355 -17.694 1.00 13.34 C ATOM 1005 NH1 ARG A 65 -7.499 -4.041 -17.505 1.00 11.50 N ATOM 1006 NH2 ARG A 65 -8.831 -5.840 -18.036 1.00 30.32 N ATOM 0 H ARG A 65 -3.399 -8.090 -14.822 1.00 73.12 H new ATOM 0 HA ARG A 65 -1.313 -6.133 -15.523 1.00 41.42 H new ATOM 0 HB2 ARG A 65 -2.585 -5.400 -17.473 1.00 65.22 H new ATOM 0 HB3 ARG A 65 -2.048 -7.060 -17.638 1.00 65.22 H new ATOM 0 HG2 ARG A 65 -4.227 -7.021 -18.565 1.00 31.04 H new ATOM 0 HG3 ARG A 65 -4.422 -7.784 -16.999 1.00 31.04 H new ATOM 0 HD2 ARG A 65 -5.224 -5.646 -16.039 1.00 50.03 H new ATOM 0 HD3 ARG A 65 -4.990 -4.850 -17.582 1.00 50.03 H new ATOM 0 HE ARG A 65 -6.763 -7.190 -17.698 1.00 15.34 H new ATOM 0 HH11 ARG A 65 -6.592 -3.663 -17.231 1.00 11.50 H new ATOM 0 HH12 ARG A 65 -8.294 -3.416 -17.634 1.00 11.50 H new ATOM 0 HH21 ARG A 65 -8.952 -6.844 -18.172 1.00 30.32 H new ATOM 0 HH22 ARG A 65 -9.622 -5.209 -18.163 1.00 30.32 H new ATOM 1020 N PHE A 66 -3.013 -4.162 -15.162 1.00 61.24 N ATOM 1021 CA PHE A 66 -3.692 -3.070 -14.494 1.00 64.33 C ATOM 1022 C PHE A 66 -5.137 -3.058 -14.942 1.00 24.33 C ATOM 1023 O PHE A 66 -5.410 -2.891 -16.136 1.00 32.41 O ATOM 1024 CB PHE A 66 -3.070 -1.733 -14.889 1.00 0.03 C ATOM 1025 CG PHE A 66 -1.596 -1.603 -14.646 1.00 23.51 C ATOM 1026 CD1 PHE A 66 -1.118 -1.137 -13.449 1.00 31.35 C ATOM 1027 CD2 PHE A 66 -0.693 -1.925 -15.637 1.00 44.44 C ATOM 1028 CE1 PHE A 66 0.241 -0.997 -13.241 1.00 62.44 C ATOM 1029 CE2 PHE A 66 0.663 -1.792 -15.437 1.00 3.42 C ATOM 1030 CZ PHE A 66 1.131 -1.325 -14.236 1.00 32.24 C ATOM 0 H PHE A 66 -2.451 -3.872 -15.962 1.00 61.24 H new ATOM 0 HA PHE A 66 -3.608 -3.208 -13.416 1.00 64.33 H new ATOM 0 HB2 PHE A 66 -3.261 -1.564 -15.949 1.00 0.03 H new ATOM 0 HB3 PHE A 66 -3.581 -0.940 -14.342 1.00 0.03 H new ATOM 0 HD1 PHE A 66 -1.810 -0.877 -12.661 1.00 31.35 H new ATOM 0 HD2 PHE A 66 -1.056 -2.288 -16.587 1.00 44.44 H new ATOM 0 HE1 PHE A 66 0.605 -0.629 -12.293 1.00 62.44 H new ATOM 0 HE2 PHE A 66 1.355 -2.055 -16.223 1.00 3.42 H new ATOM 0 HZ PHE A 66 2.193 -1.215 -14.073 1.00 32.24 H new ATOM 1040 N LEU A 67 -6.062 -3.248 -14.027 1.00 52.33 N ATOM 1041 CA LEU A 67 -7.464 -3.260 -14.419 1.00 63.53 C ATOM 1042 C LEU A 67 -7.981 -1.853 -14.601 1.00 12.23 C ATOM 1043 O LEU A 67 -8.562 -1.529 -15.625 1.00 11.32 O ATOM 1044 CB LEU A 67 -8.322 -3.985 -13.386 1.00 11.22 C ATOM 1045 CG LEU A 67 -8.024 -5.460 -13.152 1.00 64.14 C ATOM 1046 CD1 LEU A 67 -8.949 -5.996 -12.098 1.00 62.11 C ATOM 1047 CD2 LEU A 67 -8.189 -6.261 -14.425 1.00 22.35 C ATOM 0 H LEU A 67 -5.883 -3.393 -13.033 1.00 52.33 H new ATOM 0 HA LEU A 67 -7.531 -3.794 -15.367 1.00 63.53 H new ATOM 0 HB2 LEU A 67 -8.219 -3.464 -12.434 1.00 11.22 H new ATOM 0 HB3 LEU A 67 -9.365 -3.894 -13.688 1.00 11.22 H new ATOM 0 HG LEU A 67 -6.989 -5.552 -12.823 1.00 64.14 H new ATOM 0 HD11 LEU A 67 -8.736 -7.052 -11.930 1.00 62.11 H new ATOM 0 HD12 LEU A 67 -8.802 -5.444 -11.170 1.00 62.11 H new ATOM 0 HD13 LEU A 67 -9.982 -5.882 -12.428 1.00 62.11 H new ATOM 0 HD21 LEU A 67 -7.969 -7.310 -14.226 1.00 22.35 H new ATOM 0 HD22 LEU A 67 -9.214 -6.167 -14.784 1.00 22.35 H new ATOM 0 HD23 LEU A 67 -7.503 -5.884 -15.183 1.00 22.35 H new ATOM 1059 N HIS A 68 -7.713 -1.020 -13.622 1.00 12.01 N ATOM 1060 CA HIS A 68 -8.134 0.380 -13.593 1.00 54.30 C ATOM 1061 C HIS A 68 -7.320 1.113 -12.569 1.00 11.14 C ATOM 1062 O HIS A 68 -6.346 0.561 -12.036 1.00 14.30 O ATOM 1063 CB HIS A 68 -9.646 0.523 -13.246 1.00 1.03 C ATOM 1064 CG HIS A 68 -10.590 0.255 -14.380 1.00 14.43 C ATOM 1065 ND1 HIS A 68 -11.241 -0.947 -14.590 1.00 12.22 N ATOM 1066 CD2 HIS A 68 -10.992 1.063 -15.370 1.00 23.10 C ATOM 1067 CE1 HIS A 68 -11.990 -0.844 -15.664 1.00 34.13 C ATOM 1068 NE2 HIS A 68 -11.857 0.362 -16.152 1.00 1.35 N ATOM 0 H HIS A 68 -7.182 -1.296 -12.796 1.00 12.01 H new ATOM 0 HA HIS A 68 -7.977 0.802 -14.586 1.00 54.30 H new ATOM 0 HB2 HIS A 68 -9.881 -0.160 -12.430 1.00 1.03 H new ATOM 0 HB3 HIS A 68 -9.824 1.533 -12.878 1.00 1.03 H new ATOM 0 HD2 HIS A 68 -10.685 2.087 -15.520 1.00 23.10 H new ATOM 0 HE1 HIS A 68 -12.612 -1.625 -16.076 1.00 34.13 H new ATOM 0 HE2 HIS A 68 -12.326 0.719 -16.984 1.00 1.35 H new ATOM 1077 N GLY A 69 -7.691 2.344 -12.303 1.00 62.10 N ATOM 1078 CA GLY A 69 -7.050 3.095 -11.269 1.00 11.35 C ATOM 1079 C GLY A 69 -7.652 2.784 -9.924 1.00 54.43 C ATOM 1080 O GLY A 69 -6.945 2.597 -8.949 1.00 43.41 O ATOM 0 H GLY A 69 -8.435 2.840 -12.794 1.00 62.10 H new ATOM 0 HA2 GLY A 69 -5.984 2.867 -11.256 1.00 11.35 H new ATOM 0 HA3 GLY A 69 -7.145 4.161 -11.476 1.00 11.35 H new ATOM 1084 N ASN A 70 -8.966 2.710 -9.884 1.00 22.33 N ATOM 1085 CA ASN A 70 -9.687 2.409 -8.679 1.00 53.30 C ATOM 1086 C ASN A 70 -10.975 1.658 -8.959 1.00 24.04 C ATOM 1087 O ASN A 70 -12.056 2.218 -9.034 1.00 12.24 O ATOM 1088 CB ASN A 70 -9.907 3.645 -7.760 1.00 11.45 C ATOM 1089 CG ASN A 70 -10.662 4.810 -8.396 1.00 20.05 C ATOM 1090 OD1 ASN A 70 -10.060 5.663 -9.049 1.00 71.30 O ATOM 1091 ND2 ASN A 70 -11.953 4.887 -8.177 1.00 51.41 N ATOM 0 H ASN A 70 -9.563 2.859 -10.698 1.00 22.33 H new ATOM 0 HA ASN A 70 -9.044 1.739 -8.109 1.00 53.30 H new ATOM 0 HB2 ASN A 70 -10.451 3.324 -6.872 1.00 11.45 H new ATOM 0 HB3 ASN A 70 -8.934 4.005 -7.425 1.00 11.45 H new ATOM 0 HD21 ASN A 70 -12.488 5.670 -8.552 1.00 51.41 H new ATOM 0 HD22 ASN A 70 -12.422 4.164 -7.632 1.00 51.41 H new ATOM 1098 N VAL A 71 -10.831 0.405 -9.213 1.00 33.33 N ATOM 1099 CA VAL A 71 -11.956 -0.463 -9.355 1.00 50.32 C ATOM 1100 C VAL A 71 -12.063 -1.241 -8.040 1.00 70.34 C ATOM 1101 O VAL A 71 -11.031 -1.545 -7.422 1.00 64.03 O ATOM 1102 CB VAL A 71 -11.835 -1.364 -10.646 1.00 72.51 C ATOM 1103 CG1 VAL A 71 -10.630 -2.253 -10.640 1.00 53.40 C ATOM 1104 CG2 VAL A 71 -13.078 -2.160 -10.914 1.00 64.15 C ATOM 0 H VAL A 71 -9.927 -0.053 -9.329 1.00 33.33 H new ATOM 0 HA VAL A 71 -12.883 0.086 -9.519 1.00 50.32 H new ATOM 0 HB VAL A 71 -11.707 -0.658 -11.466 1.00 72.51 H new ATOM 0 HG11 VAL A 71 -10.609 -2.844 -11.556 1.00 53.40 H new ATOM 0 HG12 VAL A 71 -9.728 -1.643 -10.581 1.00 53.40 H new ATOM 0 HG13 VAL A 71 -10.674 -2.920 -9.779 1.00 53.40 H new ATOM 0 HG21 VAL A 71 -12.939 -2.761 -11.813 1.00 64.15 H new ATOM 0 HG22 VAL A 71 -13.280 -2.816 -10.067 1.00 64.15 H new ATOM 0 HG23 VAL A 71 -13.920 -1.483 -11.057 1.00 64.15 H new ATOM 1114 N THR A 72 -13.259 -1.498 -7.581 1.00 65.22 N ATOM 1115 CA THR A 72 -13.443 -2.088 -6.266 1.00 34.22 C ATOM 1116 C THR A 72 -13.175 -3.583 -6.266 1.00 64.53 C ATOM 1117 O THR A 72 -13.257 -4.235 -7.307 1.00 1.34 O ATOM 1118 CB THR A 72 -14.855 -1.790 -5.701 1.00 32.30 C ATOM 1119 OG1 THR A 72 -15.868 -2.250 -6.617 1.00 30.03 O ATOM 1120 CG2 THR A 72 -15.033 -0.298 -5.447 1.00 65.32 C ATOM 0 H THR A 72 -14.123 -1.312 -8.090 1.00 65.22 H new ATOM 0 HA THR A 72 -12.707 -1.621 -5.612 1.00 34.22 H new ATOM 0 HB THR A 72 -14.959 -2.321 -4.755 1.00 32.30 H new ATOM 0 HG1 THR A 72 -16.755 -2.057 -6.247 1.00 30.03 H new ATOM 0 HG21 THR A 72 -16.031 -0.113 -5.051 1.00 65.32 H new ATOM 0 HG22 THR A 72 -14.288 0.040 -4.726 1.00 65.32 H new ATOM 0 HG23 THR A 72 -14.907 0.248 -6.382 1.00 65.32 H new ATOM 1128 N LEU A 73 -12.868 -4.120 -5.091 1.00 12.14 N ATOM 1129 CA LEU A 73 -12.538 -5.519 -4.942 1.00 42.34 C ATOM 1130 C LEU A 73 -13.737 -6.402 -5.281 1.00 43.53 C ATOM 1131 O LEU A 73 -13.584 -7.510 -5.779 1.00 31.44 O ATOM 1132 CB LEU A 73 -12.039 -5.818 -3.528 1.00 12.53 C ATOM 1133 CG LEU A 73 -10.820 -5.020 -3.019 1.00 62.23 C ATOM 1134 CD1 LEU A 73 -9.686 -4.991 -4.022 1.00 52.33 C ATOM 1135 CD2 LEU A 73 -11.181 -3.632 -2.531 1.00 23.23 C ATOM 0 H LEU A 73 -12.843 -3.592 -4.219 1.00 12.14 H new ATOM 0 HA LEU A 73 -11.735 -5.746 -5.643 1.00 42.34 H new ATOM 0 HB2 LEU A 73 -12.865 -5.648 -2.837 1.00 12.53 H new ATOM 0 HB3 LEU A 73 -11.793 -6.878 -3.475 1.00 12.53 H new ATOM 0 HG LEU A 73 -10.457 -5.564 -2.147 1.00 62.23 H new ATOM 0 HD11 LEU A 73 -8.854 -4.417 -3.614 1.00 52.33 H new ATOM 0 HD12 LEU A 73 -9.357 -6.009 -4.229 1.00 52.33 H new ATOM 0 HD13 LEU A 73 -10.029 -4.526 -4.946 1.00 52.33 H new ATOM 0 HD21 LEU A 73 -10.281 -3.122 -2.186 1.00 23.23 H new ATOM 0 HD22 LEU A 73 -11.630 -3.065 -3.347 1.00 23.23 H new ATOM 0 HD23 LEU A 73 -11.892 -3.709 -1.708 1.00 23.23 H new ATOM 1147 N GLY A 74 -14.937 -5.889 -5.026 1.00 73.33 N ATOM 1148 CA GLY A 74 -16.146 -6.614 -5.385 1.00 41.31 C ATOM 1149 C GLY A 74 -16.268 -6.747 -6.890 1.00 63.22 C ATOM 1150 O GLY A 74 -16.680 -7.786 -7.409 1.00 41.11 O ATOM 0 H GLY A 74 -15.095 -4.986 -4.578 1.00 73.33 H new ATOM 0 HA2 GLY A 74 -16.131 -7.604 -4.928 1.00 41.31 H new ATOM 0 HA3 GLY A 74 -17.018 -6.094 -4.990 1.00 41.31 H new ATOM 1154 N ALA A 75 -15.850 -5.701 -7.586 1.00 11.02 N ATOM 1155 CA ALA A 75 -15.861 -5.654 -9.041 1.00 64.24 C ATOM 1156 C ALA A 75 -14.791 -6.586 -9.621 1.00 73.03 C ATOM 1157 O ALA A 75 -14.804 -6.910 -10.813 1.00 73.22 O ATOM 1158 CB ALA A 75 -15.664 -4.224 -9.524 1.00 22.41 C ATOM 0 H ALA A 75 -15.489 -4.851 -7.152 1.00 11.02 H new ATOM 0 HA ALA A 75 -16.832 -6.002 -9.394 1.00 64.24 H new ATOM 0 HB1 ALA A 75 -15.674 -4.203 -10.614 1.00 22.41 H new ATOM 0 HB2 ALA A 75 -16.469 -3.597 -9.142 1.00 22.41 H new ATOM 0 HB3 ALA A 75 -14.707 -3.847 -9.163 1.00 22.41 H new ATOM 1164 N LEU A 76 -13.860 -7.009 -8.769 1.00 51.21 N ATOM 1165 CA LEU A 76 -12.785 -7.910 -9.158 1.00 4.44 C ATOM 1166 C LEU A 76 -13.244 -9.372 -9.107 1.00 32.40 C ATOM 1167 O LEU A 76 -12.412 -10.287 -9.155 1.00 71.55 O ATOM 1168 CB LEU A 76 -11.608 -7.750 -8.225 1.00 44.51 C ATOM 1169 CG LEU A 76 -11.047 -6.364 -8.043 1.00 70.34 C ATOM 1170 CD1 LEU A 76 -9.897 -6.421 -7.116 1.00 41.42 C ATOM 1171 CD2 LEU A 76 -10.619 -5.773 -9.336 1.00 73.42 C ATOM 0 H LEU A 76 -13.832 -6.734 -7.787 1.00 51.21 H new ATOM 0 HA LEU A 76 -12.498 -7.656 -10.178 1.00 4.44 H new ATOM 0 HB2 LEU A 76 -11.903 -8.125 -7.245 1.00 44.51 H new ATOM 0 HB3 LEU A 76 -10.805 -8.393 -8.584 1.00 44.51 H new ATOM 0 HG LEU A 76 -11.832 -5.730 -7.631 1.00 70.34 H new ATOM 0 HD11 LEU A 76 -9.488 -5.420 -6.982 1.00 41.42 H new ATOM 0 HD12 LEU A 76 -10.225 -6.811 -6.153 1.00 41.42 H new ATOM 0 HD13 LEU A 76 -9.129 -7.074 -7.529 1.00 41.42 H new ATOM 0 HD21 LEU A 76 -10.220 -4.773 -9.165 1.00 73.42 H new ATOM 0 HD22 LEU A 76 -9.848 -6.399 -9.785 1.00 73.42 H new ATOM 0 HD23 LEU A 76 -11.474 -5.712 -10.009 1.00 73.42 H new ATOM 1183 N LYS A 77 -14.577 -9.580 -9.009 1.00 71.22 N ATOM 1184 CA LYS A 77 -15.203 -10.927 -9.018 1.00 12.10 C ATOM 1185 C LYS A 77 -14.825 -11.703 -7.754 1.00 10.01 C ATOM 1186 O LYS A 77 -14.877 -12.938 -7.718 1.00 3.13 O ATOM 1187 CB LYS A 77 -14.820 -11.755 -10.302 1.00 64.02 C ATOM 1188 CG LYS A 77 -15.279 -11.179 -11.668 1.00 11.33 C ATOM 1189 CD LYS A 77 -14.590 -9.862 -12.008 1.00 34.43 C ATOM 1190 CE LYS A 77 -15.060 -9.274 -13.318 1.00 41.21 C ATOM 1191 NZ LYS A 77 -14.453 -7.946 -13.548 1.00 55.04 N ATOM 0 H LYS A 77 -15.251 -8.820 -8.921 1.00 71.22 H new ATOM 0 HA LYS A 77 -16.283 -10.778 -9.038 1.00 12.10 H new ATOM 0 HB2 LYS A 77 -13.736 -11.863 -10.326 1.00 64.02 H new ATOM 0 HB3 LYS A 77 -15.238 -12.756 -10.198 1.00 64.02 H new ATOM 0 HG2 LYS A 77 -15.073 -11.906 -12.453 1.00 11.33 H new ATOM 0 HG3 LYS A 77 -16.358 -11.027 -11.650 1.00 11.33 H new ATOM 0 HD2 LYS A 77 -14.772 -9.145 -11.207 1.00 34.43 H new ATOM 0 HD3 LYS A 77 -13.513 -10.022 -12.053 1.00 34.43 H new ATOM 0 HE2 LYS A 77 -14.799 -9.944 -14.137 1.00 41.21 H new ATOM 0 HE3 LYS A 77 -16.146 -9.186 -13.313 1.00 41.21 H new ATOM 0 HZ1 LYS A 77 -14.990 -7.441 -14.282 1.00 55.04 H new ATOM 0 HZ2 LYS A 77 -14.473 -7.397 -12.665 1.00 55.04 H new ATOM 0 HZ3 LYS A 77 -13.468 -8.064 -13.860 1.00 55.04 H new ATOM 1205 N LEU A 78 -14.498 -10.975 -6.714 1.00 41.22 N ATOM 1206 CA LEU A 78 -14.059 -11.568 -5.474 1.00 40.40 C ATOM 1207 C LEU A 78 -15.224 -11.748 -4.512 1.00 15.12 C ATOM 1208 O LEU A 78 -15.932 -10.783 -4.201 1.00 2.52 O ATOM 1209 CB LEU A 78 -13.014 -10.673 -4.817 1.00 44.14 C ATOM 1210 CG LEU A 78 -11.778 -10.347 -5.649 1.00 12.35 C ATOM 1211 CD1 LEU A 78 -10.874 -9.391 -4.899 1.00 53.51 C ATOM 1212 CD2 LEU A 78 -11.023 -11.607 -6.020 1.00 31.31 C ATOM 0 H LEU A 78 -14.529 -9.956 -6.703 1.00 41.22 H new ATOM 0 HA LEU A 78 -13.632 -12.545 -5.700 1.00 40.40 H new ATOM 0 HB2 LEU A 78 -13.495 -9.735 -4.538 1.00 44.14 H new ATOM 0 HB3 LEU A 78 -12.687 -11.151 -3.893 1.00 44.14 H new ATOM 0 HG LEU A 78 -12.108 -9.867 -6.571 1.00 12.35 H new ATOM 0 HD11 LEU A 78 -9.996 -9.168 -5.506 1.00 53.51 H new ATOM 0 HD12 LEU A 78 -11.414 -8.468 -4.690 1.00 53.51 H new ATOM 0 HD13 LEU A 78 -10.560 -9.848 -3.961 1.00 53.51 H new ATOM 0 HD21 LEU A 78 -10.147 -11.345 -6.613 1.00 31.31 H new ATOM 0 HD22 LEU A 78 -10.707 -12.122 -5.113 1.00 31.31 H new ATOM 0 HD23 LEU A 78 -11.672 -12.262 -6.602 1.00 31.31 H new ATOM 1224 N PRO A 79 -15.478 -12.982 -4.065 1.00 3.23 N ATOM 1225 CA PRO A 79 -16.452 -13.242 -3.023 1.00 52.43 C ATOM 1226 C PRO A 79 -15.849 -12.919 -1.666 1.00 62.43 C ATOM 1227 O PRO A 79 -14.631 -12.679 -1.552 1.00 55.54 O ATOM 1228 CB PRO A 79 -16.711 -14.739 -3.143 1.00 43.02 C ATOM 1229 CG PRO A 79 -15.435 -15.283 -3.662 1.00 45.14 C ATOM 1230 CD PRO A 79 -14.863 -14.224 -4.562 1.00 20.32 C ATOM 0 HA PRO A 79 -17.359 -12.646 -3.119 1.00 52.43 H new ATOM 0 HB2 PRO A 79 -16.969 -15.178 -2.179 1.00 43.02 H new ATOM 0 HB3 PRO A 79 -17.539 -14.948 -3.821 1.00 43.02 H new ATOM 0 HG2 PRO A 79 -14.749 -15.513 -2.846 1.00 45.14 H new ATOM 0 HG3 PRO A 79 -15.601 -16.211 -4.209 1.00 45.14 H new ATOM 0 HD2 PRO A 79 -13.776 -14.187 -4.498 1.00 20.32 H new ATOM 0 HD3 PRO A 79 -15.115 -14.406 -5.607 1.00 20.32 H new ATOM 1238 N PHE A 80 -16.654 -12.939 -0.655 1.00 24.22 N ATOM 1239 CA PHE A 80 -16.192 -12.577 0.654 1.00 4.32 C ATOM 1240 C PHE A 80 -15.567 -13.797 1.308 1.00 54.05 C ATOM 1241 O PHE A 80 -15.657 -14.920 0.782 1.00 42.13 O ATOM 1242 CB PHE A 80 -17.356 -12.121 1.535 1.00 73.33 C ATOM 1243 CG PHE A 80 -18.329 -11.156 0.912 1.00 63.04 C ATOM 1244 CD1 PHE A 80 -17.927 -10.199 -0.007 1.00 50.20 C ATOM 1245 CD2 PHE A 80 -19.668 -11.237 1.242 1.00 32.53 C ATOM 1246 CE1 PHE A 80 -18.845 -9.342 -0.578 1.00 71.13 C ATOM 1247 CE2 PHE A 80 -20.592 -10.384 0.677 1.00 3.01 C ATOM 1248 CZ PHE A 80 -20.179 -9.435 -0.237 1.00 73.32 C ATOM 0 H PHE A 80 -17.638 -13.202 -0.706 1.00 24.22 H new ATOM 0 HA PHE A 80 -15.472 -11.765 0.553 1.00 4.32 H new ATOM 0 HB2 PHE A 80 -17.909 -13.004 1.855 1.00 73.33 H new ATOM 0 HB3 PHE A 80 -16.945 -11.660 2.433 1.00 73.33 H new ATOM 0 HD1 PHE A 80 -16.884 -10.124 -0.279 1.00 50.20 H new ATOM 0 HD2 PHE A 80 -19.996 -11.980 1.954 1.00 32.53 H new ATOM 0 HE1 PHE A 80 -18.520 -8.599 -1.291 1.00 71.13 H new ATOM 0 HE2 PHE A 80 -21.635 -10.458 0.948 1.00 3.01 H new ATOM 0 HZ PHE A 80 -20.899 -8.766 -0.685 1.00 73.32 H new ATOM 1258 N GLY A 81 -14.932 -13.582 2.429 1.00 71.23 N ATOM 1259 CA GLY A 81 -14.424 -14.682 3.210 1.00 3.14 C ATOM 1260 C GLY A 81 -13.177 -15.347 2.656 1.00 4.23 C ATOM 1261 O GLY A 81 -12.784 -16.406 3.142 1.00 32.15 O ATOM 0 H GLY A 81 -14.754 -12.658 2.823 1.00 71.23 H new ATOM 0 HA2 GLY A 81 -14.208 -14.323 4.216 1.00 3.14 H new ATOM 0 HA3 GLY A 81 -15.207 -15.434 3.301 1.00 3.14 H new ATOM 1265 N LYS A 82 -12.553 -14.764 1.658 1.00 0.13 N ATOM 1266 CA LYS A 82 -11.343 -15.356 1.138 1.00 52.24 C ATOM 1267 C LYS A 82 -10.226 -14.335 1.000 1.00 23.23 C ATOM 1268 O LYS A 82 -10.479 -13.120 1.009 1.00 24.13 O ATOM 1269 CB LYS A 82 -11.592 -16.195 -0.163 1.00 10.31 C ATOM 1270 CG LYS A 82 -12.085 -15.471 -1.430 1.00 61.04 C ATOM 1271 CD LYS A 82 -11.025 -14.551 -2.006 1.00 65.31 C ATOM 1272 CE LYS A 82 -11.373 -14.066 -3.387 1.00 2.51 C ATOM 1273 NZ LYS A 82 -11.407 -15.179 -4.366 1.00 51.32 N ATOM 0 H LYS A 82 -12.853 -13.903 1.200 1.00 0.13 H new ATOM 0 HA LYS A 82 -10.997 -16.078 1.878 1.00 52.24 H new ATOM 0 HB2 LYS A 82 -10.659 -16.700 -0.413 1.00 10.31 H new ATOM 0 HB3 LYS A 82 -12.319 -16.970 0.078 1.00 10.31 H new ATOM 0 HG2 LYS A 82 -12.372 -16.208 -2.180 1.00 61.04 H new ATOM 0 HG3 LYS A 82 -12.978 -14.892 -1.193 1.00 61.04 H new ATOM 0 HD2 LYS A 82 -10.894 -13.694 -1.345 1.00 65.31 H new ATOM 0 HD3 LYS A 82 -10.071 -15.077 -2.039 1.00 65.31 H new ATOM 0 HE2 LYS A 82 -12.344 -13.571 -3.365 1.00 2.51 H new ATOM 0 HE3 LYS A 82 -10.643 -13.322 -3.706 1.00 2.51 H new ATOM 0 HZ1 LYS A 82 -11.361 -14.794 -5.331 1.00 51.32 H new ATOM 0 HZ2 LYS A 82 -10.594 -15.808 -4.205 1.00 51.32 H new ATOM 0 HZ3 LYS A 82 -12.289 -15.717 -4.249 1.00 51.32 H new ATOM 1287 N THR A 83 -9.009 -14.820 0.878 1.00 55.51 N ATOM 1288 CA THR A 83 -7.848 -13.975 0.771 1.00 51.34 C ATOM 1289 C THR A 83 -7.450 -13.784 -0.688 1.00 74.10 C ATOM 1290 O THR A 83 -7.294 -14.749 -1.433 1.00 23.14 O ATOM 1291 CB THR A 83 -6.674 -14.574 1.567 1.00 21.34 C ATOM 1292 OG1 THR A 83 -7.109 -14.827 2.918 1.00 71.21 O ATOM 1293 CG2 THR A 83 -5.489 -13.610 1.597 1.00 41.20 C ATOM 0 H THR A 83 -8.800 -15.818 0.851 1.00 55.51 H new ATOM 0 HA THR A 83 -8.097 -13.000 1.190 1.00 51.34 H new ATOM 0 HB THR A 83 -6.358 -15.499 1.085 1.00 21.34 H new ATOM 0 HG1 THR A 83 -6.369 -15.210 3.434 1.00 71.21 H new ATOM 0 HG21 THR A 83 -4.672 -14.055 2.165 1.00 41.20 H new ATOM 0 HG22 THR A 83 -5.156 -13.411 0.578 1.00 41.20 H new ATOM 0 HG23 THR A 83 -5.792 -12.675 2.069 1.00 41.20 H new ATOM 1301 N THR A 84 -7.323 -12.549 -1.082 1.00 13.32 N ATOM 1302 CA THR A 84 -6.933 -12.201 -2.429 1.00 35.50 C ATOM 1303 C THR A 84 -5.579 -11.489 -2.406 1.00 40.33 C ATOM 1304 O THR A 84 -5.308 -10.703 -1.494 1.00 12.24 O ATOM 1305 CB THR A 84 -7.973 -11.256 -3.052 1.00 43.41 C ATOM 1306 OG1 THR A 84 -9.279 -11.830 -2.893 1.00 74.22 O ATOM 1307 CG2 THR A 84 -7.688 -11.052 -4.537 1.00 22.25 C ATOM 0 H THR A 84 -7.487 -11.745 -0.476 1.00 13.32 H new ATOM 0 HA THR A 84 -6.866 -13.115 -3.019 1.00 35.50 H new ATOM 0 HB THR A 84 -7.922 -10.290 -2.550 1.00 43.41 H new ATOM 0 HG1 THR A 84 -9.842 -11.223 -2.369 1.00 74.22 H new ATOM 0 HG21 THR A 84 -8.434 -10.380 -4.962 1.00 22.25 H new ATOM 0 HG22 THR A 84 -6.696 -10.617 -4.661 1.00 22.25 H new ATOM 0 HG23 THR A 84 -7.730 -12.012 -5.051 1.00 22.25 H new ATOM 1315 N VAL A 85 -4.736 -11.770 -3.377 1.00 45.41 N ATOM 1316 CA VAL A 85 -3.447 -11.120 -3.467 1.00 34.43 C ATOM 1317 C VAL A 85 -3.413 -10.183 -4.690 1.00 14.30 C ATOM 1318 O VAL A 85 -3.803 -10.570 -5.798 1.00 10.13 O ATOM 1319 CB VAL A 85 -2.289 -12.157 -3.535 1.00 15.50 C ATOM 1320 CG1 VAL A 85 -2.393 -13.039 -4.778 1.00 43.12 C ATOM 1321 CG2 VAL A 85 -0.939 -11.468 -3.453 1.00 12.12 C ATOM 0 H VAL A 85 -4.922 -12.447 -4.117 1.00 45.41 H new ATOM 0 HA VAL A 85 -3.301 -10.528 -2.563 1.00 34.43 H new ATOM 0 HB VAL A 85 -2.382 -12.813 -2.670 1.00 15.50 H new ATOM 0 HG11 VAL A 85 -1.567 -13.750 -4.790 1.00 43.12 H new ATOM 0 HG12 VAL A 85 -3.338 -13.581 -4.761 1.00 43.12 H new ATOM 0 HG13 VAL A 85 -2.348 -12.416 -5.671 1.00 43.12 H new ATOM 0 HG21 VAL A 85 -0.146 -12.214 -3.503 1.00 12.12 H new ATOM 0 HG22 VAL A 85 -0.835 -10.772 -4.285 1.00 12.12 H new ATOM 0 HG23 VAL A 85 -0.865 -10.922 -2.512 1.00 12.12 H new ATOM 1331 N MET A 86 -2.988 -8.953 -4.489 1.00 22.21 N ATOM 1332 CA MET A 86 -2.945 -7.975 -5.564 1.00 52.32 C ATOM 1333 C MET A 86 -1.692 -7.150 -5.526 1.00 43.34 C ATOM 1334 O MET A 86 -1.093 -6.960 -4.476 1.00 73.51 O ATOM 1335 CB MET A 86 -4.166 -7.076 -5.549 1.00 11.34 C ATOM 1336 CG MET A 86 -5.451 -7.801 -5.864 1.00 64.21 C ATOM 1337 SD MET A 86 -6.883 -6.748 -5.764 1.00 0.43 S ATOM 1338 CE MET A 86 -6.499 -5.552 -7.024 1.00 35.22 C ATOM 0 H MET A 86 -2.665 -8.602 -3.587 1.00 22.21 H new ATOM 0 HA MET A 86 -2.945 -8.540 -6.496 1.00 52.32 H new ATOM 0 HB2 MET A 86 -4.252 -6.610 -4.567 1.00 11.34 H new ATOM 0 HB3 MET A 86 -4.025 -6.273 -6.272 1.00 11.34 H new ATOM 0 HG2 MET A 86 -5.387 -8.225 -6.866 1.00 64.21 H new ATOM 0 HG3 MET A 86 -5.571 -8.635 -5.173 1.00 64.21 H new ATOM 0 HE1 MET A 86 -7.354 -4.893 -7.173 1.00 35.22 H new ATOM 0 HE2 MET A 86 -5.636 -4.962 -6.715 1.00 35.22 H new ATOM 0 HE3 MET A 86 -6.271 -6.067 -7.957 1.00 35.22 H new ATOM 1348 N HIS A 87 -1.294 -6.663 -6.675 1.00 52.32 N ATOM 1349 CA HIS A 87 -0.097 -5.854 -6.784 1.00 43.32 C ATOM 1350 C HIS A 87 -0.502 -4.428 -7.059 1.00 65.31 C ATOM 1351 O HIS A 87 -1.334 -4.174 -7.924 1.00 22.42 O ATOM 1352 CB HIS A 87 0.813 -6.351 -7.904 1.00 72.24 C ATOM 1353 CG HIS A 87 1.300 -7.762 -7.748 1.00 72.31 C ATOM 1354 ND1 HIS A 87 2.562 -8.081 -7.320 1.00 53.12 N ATOM 1355 CD2 HIS A 87 0.690 -8.946 -8.013 1.00 1.54 C ATOM 1356 CE1 HIS A 87 2.709 -9.388 -7.334 1.00 30.44 C ATOM 1357 NE2 HIS A 87 1.591 -9.935 -7.749 1.00 22.42 N ATOM 0 H HIS A 87 -1.784 -6.812 -7.557 1.00 52.32 H new ATOM 0 HA HIS A 87 0.458 -5.923 -5.848 1.00 43.32 H new ATOM 0 HB2 HIS A 87 0.277 -6.270 -8.850 1.00 72.24 H new ATOM 0 HB3 HIS A 87 1.677 -5.690 -7.970 1.00 72.24 H new ATOM 0 HD2 HIS A 87 -0.321 -9.080 -8.367 1.00 1.54 H new ATOM 0 HE1 HIS A 87 3.603 -9.923 -7.050 1.00 30.44 H new ATOM 0 HE2 HIS A 87 1.423 -10.935 -7.856 1.00 22.42 H new ATOM 1366 N LEU A 88 0.047 -3.510 -6.326 1.00 34.30 N ATOM 1367 CA LEU A 88 -0.318 -2.120 -6.471 1.00 62.04 C ATOM 1368 C LEU A 88 0.873 -1.290 -6.802 1.00 31.14 C ATOM 1369 O LEU A 88 1.990 -1.581 -6.359 1.00 31.13 O ATOM 1370 CB LEU A 88 -1.010 -1.560 -5.206 1.00 11.31 C ATOM 1371 CG LEU A 88 -2.433 -2.069 -4.869 1.00 51.13 C ATOM 1372 CD1 LEU A 88 -3.396 -1.760 -5.986 1.00 61.25 C ATOM 1373 CD2 LEU A 88 -2.444 -3.549 -4.545 1.00 14.43 C ATOM 0 H LEU A 88 0.755 -3.692 -5.615 1.00 34.30 H new ATOM 0 HA LEU A 88 -1.033 -2.069 -7.293 1.00 62.04 H new ATOM 0 HB2 LEU A 88 -0.368 -1.774 -4.352 1.00 11.31 H new ATOM 0 HB3 LEU A 88 -1.058 -0.476 -5.304 1.00 11.31 H new ATOM 0 HG LEU A 88 -2.760 -1.538 -3.975 1.00 51.13 H new ATOM 0 HD11 LEU A 88 -4.388 -2.128 -5.724 1.00 61.25 H new ATOM 0 HD12 LEU A 88 -3.439 -0.682 -6.142 1.00 61.25 H new ATOM 0 HD13 LEU A 88 -3.059 -2.246 -6.902 1.00 61.25 H new ATOM 0 HD21 LEU A 88 -3.462 -3.863 -4.315 1.00 14.43 H new ATOM 0 HD22 LEU A 88 -2.076 -4.112 -5.403 1.00 14.43 H new ATOM 0 HD23 LEU A 88 -1.802 -3.738 -3.684 1.00 14.43 H new ATOM 1385 N VAL A 89 0.661 -0.294 -7.609 1.00 0.12 N ATOM 1386 CA VAL A 89 1.701 0.620 -7.952 1.00 4.14 C ATOM 1387 C VAL A 89 1.330 2.022 -7.532 1.00 13.32 C ATOM 1388 O VAL A 89 0.173 2.444 -7.676 1.00 21.25 O ATOM 1389 CB VAL A 89 2.075 0.605 -9.471 1.00 75.12 C ATOM 1390 CG1 VAL A 89 2.654 -0.737 -9.877 1.00 41.23 C ATOM 1391 CG2 VAL A 89 0.876 0.929 -10.333 1.00 43.03 C ATOM 0 H VAL A 89 -0.239 -0.095 -8.046 1.00 0.12 H new ATOM 0 HA VAL A 89 2.585 0.286 -7.409 1.00 4.14 H new ATOM 0 HB VAL A 89 2.832 1.374 -9.626 1.00 75.12 H new ATOM 0 HG11 VAL A 89 2.905 -0.719 -10.938 1.00 41.23 H new ATOM 0 HG12 VAL A 89 3.554 -0.936 -9.295 1.00 41.23 H new ATOM 0 HG13 VAL A 89 1.920 -1.521 -9.691 1.00 41.23 H new ATOM 0 HG21 VAL A 89 1.167 0.911 -11.383 1.00 43.03 H new ATOM 0 HG22 VAL A 89 0.094 0.190 -10.161 1.00 43.03 H new ATOM 0 HG23 VAL A 89 0.501 1.920 -10.077 1.00 43.03 H new ATOM 1401 N ALA A 90 2.283 2.702 -6.968 1.00 72.23 N ATOM 1402 CA ALA A 90 2.147 4.078 -6.620 1.00 2.00 C ATOM 1403 C ALA A 90 3.375 4.781 -7.100 1.00 15.44 C ATOM 1404 O ALA A 90 4.477 4.208 -7.062 1.00 71.32 O ATOM 1405 CB ALA A 90 1.953 4.275 -5.132 1.00 63.25 C ATOM 0 H ALA A 90 3.193 2.305 -6.734 1.00 72.23 H new ATOM 0 HA ALA A 90 1.255 4.490 -7.092 1.00 2.00 H new ATOM 0 HB1 ALA A 90 1.854 5.339 -4.916 1.00 63.25 H new ATOM 0 HB2 ALA A 90 1.051 3.754 -4.811 1.00 63.25 H new ATOM 0 HB3 ALA A 90 2.814 3.874 -4.597 1.00 63.25 H new