USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 652 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 18 TYR OH : rot -75:sc= 0.477 USER MOD Set 1.2: A 27 SER OG : rot -140:sc= 0 USER MOD Set 1.3: A 87 ASN : amide:sc= 0.41 X(o=0.89,f=1.1) USER MOD Single : A 1 SER N :NH3+ -129:sc= -0.158 (180deg=-1.59!) USER MOD Single : A 1 SER OG : rot 56:sc= 0.344 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.88 X(o=-2.9,f=-3.2) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0283) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.18) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 20:sc= 0.0418 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0925 K(o=-0.093,f=-1.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 40 MET CE :methyl 174:sc= 0 (180deg=-0.0327) USER MOD Single : A 43 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-3.9!) USER MOD Single : A 44 SER OG : rot -160:sc= -0.228 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.816 USER MOD Single : A 63 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-2.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.39) USER MOD Single : A 72 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-2.9) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= -0.606 USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -0.0604 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.584 1.442 -0.570 1.00 55.53 N ATOM 2 CA SER A 1 3.815 0.747 -1.596 1.00 15.13 C ATOM 3 C SER A 1 3.174 1.740 -2.561 1.00 33.21 C ATOM 4 O SER A 1 1.958 1.931 -2.579 1.00 35.51 O ATOM 5 CB SER A 1 2.735 -0.124 -0.951 1.00 12.24 C ATOM 6 OG SER A 1 1.888 0.648 -0.116 1.00 63.22 O ATOM 0 H1 SER A 1 5.539 1.035 -0.517 1.00 55.53 H new ATOM 0 H2 SER A 1 4.651 2.452 -0.811 1.00 55.53 H new ATOM 0 H3 SER A 1 4.111 1.336 0.350 1.00 55.53 H new ATOM 0 HA SER A 1 4.498 0.110 -2.158 1.00 15.13 H new ATOM 0 HB2 SER A 1 2.142 -0.608 -1.727 1.00 12.24 H new ATOM 0 HB3 SER A 1 3.203 -0.916 -0.367 1.00 12.24 H new ATOM 0 HG SER A 1 1.503 1.386 -0.633 1.00 63.22 H new ATOM 12 N PRO A 2 4.011 2.388 -3.384 1.00 2.43 N ATOM 13 CA PRO A 2 3.550 3.372 -4.368 1.00 2.33 C ATOM 14 C PRO A 2 2.770 2.729 -5.509 1.00 65.03 C ATOM 15 O PRO A 2 3.132 1.657 -5.996 1.00 1.32 O ATOM 16 CB PRO A 2 4.851 3.989 -4.889 1.00 73.31 C ATOM 17 CG PRO A 2 5.883 2.938 -4.668 1.00 23.14 C ATOM 18 CD PRO A 2 5.473 2.211 -3.417 1.00 74.32 C ATOM 0 HA PRO A 2 2.865 4.097 -3.929 1.00 2.33 H new ATOM 0 HB2 PRO A 2 4.771 4.250 -5.944 1.00 73.31 H new ATOM 0 HB3 PRO A 2 5.098 4.905 -4.352 1.00 73.31 H new ATOM 0 HG2 PRO A 2 5.933 2.256 -5.517 1.00 23.14 H new ATOM 0 HG3 PRO A 2 6.873 3.381 -4.555 1.00 23.14 H new ATOM 0 HD2 PRO A 2 5.750 1.157 -3.455 1.00 74.32 H new ATOM 0 HD3 PRO A 2 5.949 2.633 -2.532 1.00 74.32 H new ATOM 26 N LYS A 3 1.699 3.390 -5.934 1.00 34.44 N ATOM 27 CA LYS A 3 0.868 2.884 -7.020 1.00 34.23 C ATOM 28 C LYS A 3 1.002 3.760 -8.261 1.00 64.32 C ATOM 29 O LYS A 3 0.971 4.988 -8.174 1.00 64.22 O ATOM 30 CB LYS A 3 -0.598 2.823 -6.582 1.00 64.54 C ATOM 31 CG LYS A 3 -1.257 4.186 -6.472 1.00 50.43 C ATOM 32 CD LYS A 3 -2.673 4.079 -5.933 1.00 14.03 C ATOM 33 CE LYS A 3 -2.912 5.060 -4.795 1.00 31.11 C ATOM 34 NZ LYS A 3 -3.219 6.428 -5.297 1.00 70.21 N ATOM 0 H LYS A 3 1.386 4.278 -5.543 1.00 34.44 H new ATOM 0 HA LYS A 3 1.210 1.879 -7.267 1.00 34.23 H new ATOM 0 HB2 LYS A 3 -1.156 2.215 -7.294 1.00 64.54 H new ATOM 0 HB3 LYS A 3 -0.659 2.320 -5.617 1.00 64.54 H new ATOM 0 HG2 LYS A 3 -0.665 4.826 -5.817 1.00 50.43 H new ATOM 0 HG3 LYS A 3 -1.275 4.663 -7.452 1.00 50.43 H new ATOM 0 HD2 LYS A 3 -3.385 4.271 -6.736 1.00 14.03 H new ATOM 0 HD3 LYS A 3 -2.854 3.063 -5.583 1.00 14.03 H new ATOM 0 HE2 LYS A 3 -3.738 4.706 -4.178 1.00 31.11 H new ATOM 0 HE3 LYS A 3 -2.030 5.097 -4.156 1.00 31.11 H new ATOM 0 HZ1 LYS A 3 -3.375 7.067 -4.491 1.00 70.21 H new ATOM 0 HZ2 LYS A 3 -2.421 6.777 -5.865 1.00 70.21 H new ATOM 0 HZ3 LYS A 3 -4.076 6.398 -5.886 1.00 70.21 H new ATOM 48 N THR A 4 1.151 3.121 -9.418 1.00 31.34 N ATOM 49 CA THR A 4 1.290 3.841 -10.677 1.00 11.53 C ATOM 50 C THR A 4 0.193 3.448 -11.659 1.00 51.23 C ATOM 51 O THR A 4 -0.509 2.457 -11.456 1.00 61.13 O ATOM 52 CB THR A 4 2.662 3.580 -11.325 1.00 63.23 C ATOM 53 OG1 THR A 4 3.153 2.293 -10.932 1.00 11.43 O ATOM 54 CG2 THR A 4 3.663 4.654 -10.926 1.00 21.30 C ATOM 0 H THR A 4 1.178 2.105 -9.508 1.00 31.34 H new ATOM 0 HA THR A 4 1.203 4.902 -10.445 1.00 11.53 H new ATOM 0 HB THR A 4 2.538 3.606 -12.408 1.00 63.23 H new ATOM 0 HG1 THR A 4 4.025 2.134 -11.350 1.00 11.43 H new ATOM 0 HG21 THR A 4 4.625 4.448 -11.396 1.00 21.30 H new ATOM 0 HG22 THR A 4 3.301 5.629 -11.253 1.00 21.30 H new ATOM 0 HG23 THR A 4 3.782 4.656 -9.843 1.00 21.30 H new ATOM 62 N ILE A 5 0.051 4.230 -12.724 1.00 72.03 N ATOM 63 CA ILE A 5 -0.960 3.961 -13.739 1.00 52.22 C ATOM 64 C ILE A 5 -0.577 2.756 -14.591 1.00 41.13 C ATOM 65 O ILE A 5 0.487 2.164 -14.406 1.00 31.43 O ATOM 66 CB ILE A 5 -1.173 5.179 -14.658 1.00 60.31 C ATOM 67 CG1 ILE A 5 -0.113 5.204 -15.761 1.00 43.20 C ATOM 68 CG2 ILE A 5 -1.134 6.466 -13.849 1.00 12.32 C ATOM 69 CD1 ILE A 5 1.306 5.176 -15.236 1.00 53.03 C ATOM 0 H ILE A 5 0.623 5.055 -12.906 1.00 72.03 H new ATOM 0 HA ILE A 5 -1.889 3.748 -13.210 1.00 52.22 H new ATOM 0 HB ILE A 5 -2.154 5.096 -15.125 1.00 60.31 H new ATOM 0 HG12 ILE A 5 -0.265 4.349 -16.419 1.00 43.20 H new ATOM 0 HG13 ILE A 5 -0.251 6.100 -16.366 1.00 43.20 H new ATOM 0 HG21 ILE A 5 -1.286 7.317 -14.512 1.00 12.32 H new ATOM 0 HG22 ILE A 5 -1.922 6.447 -13.097 1.00 12.32 H new ATOM 0 HG23 ILE A 5 -0.166 6.557 -13.357 1.00 12.32 H new ATOM 0 HD11 ILE A 5 2.004 5.196 -16.073 1.00 53.03 H new ATOM 0 HD12 ILE A 5 1.476 6.045 -14.601 1.00 53.03 H new ATOM 0 HD13 ILE A 5 1.461 4.267 -14.656 1.00 53.03 H new ATOM 81 N LEU A 6 -1.449 2.399 -15.527 1.00 53.04 N ATOM 82 CA LEU A 6 -1.202 1.265 -16.411 1.00 71.10 C ATOM 83 C LEU A 6 -1.917 1.449 -17.746 1.00 30.42 C ATOM 84 O LEU A 6 -1.361 1.159 -18.804 1.00 51.24 O ATOM 85 CB LEU A 6 -1.663 -0.034 -15.747 1.00 43.02 C ATOM 86 CG LEU A 6 -0.593 -1.112 -15.568 1.00 33.03 C ATOM 87 CD1 LEU A 6 -1.110 -2.234 -14.680 1.00 41.15 C ATOM 88 CD2 LEU A 6 -0.154 -1.657 -16.919 1.00 23.33 C ATOM 0 H LEU A 6 -2.334 2.878 -15.694 1.00 53.04 H new ATOM 0 HA LEU A 6 -0.130 1.209 -16.599 1.00 71.10 H new ATOM 0 HB2 LEU A 6 -2.074 0.208 -14.767 1.00 43.02 H new ATOM 0 HB3 LEU A 6 -2.477 -0.453 -16.339 1.00 43.02 H new ATOM 0 HG LEU A 6 0.273 -0.661 -15.082 1.00 33.03 H new ATOM 0 HD11 LEU A 6 -0.336 -2.992 -14.564 1.00 41.15 H new ATOM 0 HD12 LEU A 6 -1.374 -1.832 -13.702 1.00 41.15 H new ATOM 0 HD13 LEU A 6 -1.992 -2.683 -15.137 1.00 41.15 H new ATOM 0 HD21 LEU A 6 0.608 -2.423 -16.772 1.00 23.33 H new ATOM 0 HD22 LEU A 6 -1.012 -2.092 -17.432 1.00 23.33 H new ATOM 0 HD23 LEU A 6 0.257 -0.847 -17.522 1.00 23.33 H new ATOM 100 N GLY A 7 -3.154 1.934 -17.687 1.00 64.13 N ATOM 101 CA GLY A 7 -3.924 2.150 -18.898 1.00 43.12 C ATOM 102 C GLY A 7 -4.375 3.589 -19.049 1.00 51.30 C ATOM 103 O GLY A 7 -4.384 4.349 -18.080 1.00 25.22 O ATOM 0 H GLY A 7 -3.636 2.181 -16.823 1.00 64.13 H new ATOM 0 HA2 GLY A 7 -3.323 1.868 -19.762 1.00 43.12 H new ATOM 0 HA3 GLY A 7 -4.797 1.498 -18.891 1.00 43.12 H new ATOM 107 N ILE A 8 -4.749 3.966 -20.267 1.00 74.31 N ATOM 108 CA ILE A 8 -5.203 5.324 -20.541 1.00 32.52 C ATOM 109 C ILE A 8 -6.391 5.324 -21.498 1.00 25.04 C ATOM 110 O ILE A 8 -6.462 4.505 -22.413 1.00 50.12 O ATOM 111 CB ILE A 8 -4.075 6.184 -21.140 1.00 11.01 C ATOM 112 CG1 ILE A 8 -4.588 7.592 -21.451 1.00 71.40 C ATOM 113 CG2 ILE A 8 -3.518 5.528 -22.395 1.00 10.15 C ATOM 114 CD1 ILE A 8 -3.538 8.498 -22.053 1.00 5.31 C ATOM 0 H ILE A 8 -4.747 3.350 -21.080 1.00 74.31 H new ATOM 0 HA ILE A 8 -5.508 5.754 -19.587 1.00 32.52 H new ATOM 0 HB ILE A 8 -3.271 6.264 -20.408 1.00 11.01 H new ATOM 0 HG12 ILE A 8 -5.431 7.519 -22.138 1.00 71.40 H new ATOM 0 HG13 ILE A 8 -4.963 8.044 -20.533 1.00 71.40 H new ATOM 0 HG21 ILE A 8 -2.722 6.148 -22.807 1.00 10.15 H new ATOM 0 HG22 ILE A 8 -3.120 4.544 -22.145 1.00 10.15 H new ATOM 0 HG23 ILE A 8 -4.313 5.421 -23.133 1.00 10.15 H new ATOM 0 HD11 ILE A 8 -3.972 9.479 -22.247 1.00 5.31 H new ATOM 0 HD12 ILE A 8 -2.705 8.601 -21.358 1.00 5.31 H new ATOM 0 HD13 ILE A 8 -3.179 8.068 -22.988 1.00 5.31 H new ATOM 126 N GLU A 9 -7.319 6.250 -21.279 1.00 73.23 N ATOM 127 CA GLU A 9 -8.503 6.357 -22.124 1.00 13.04 C ATOM 128 C GLU A 9 -8.886 7.818 -22.340 1.00 55.23 C ATOM 129 O GLU A 9 -9.056 8.575 -21.385 1.00 13.54 O ATOM 130 CB GLU A 9 -9.675 5.599 -21.496 1.00 22.20 C ATOM 131 CG GLU A 9 -10.327 4.599 -22.437 1.00 1.54 C ATOM 132 CD GLU A 9 -11.627 4.044 -21.888 1.00 1.31 C ATOM 133 OE1 GLU A 9 -12.663 4.731 -22.006 1.00 40.13 O ATOM 134 OE2 GLU A 9 -11.608 2.922 -21.340 1.00 3.10 O ATOM 0 H GLU A 9 -7.274 6.936 -20.525 1.00 73.23 H new ATOM 0 HA GLU A 9 -8.269 5.913 -23.092 1.00 13.04 H new ATOM 0 HB2 GLU A 9 -9.323 5.074 -20.608 1.00 22.20 H new ATOM 0 HB3 GLU A 9 -10.426 6.317 -21.165 1.00 22.20 H new ATOM 0 HG2 GLU A 9 -10.518 5.080 -23.397 1.00 1.54 H new ATOM 0 HG3 GLU A 9 -9.636 3.777 -22.624 1.00 1.54 H new ATOM 141 N VAL A 10 -9.020 8.208 -23.604 1.00 74.52 N ATOM 142 CA VAL A 10 -9.384 9.577 -23.948 1.00 2.12 C ATOM 143 C VAL A 10 -10.844 9.859 -23.612 1.00 1.03 C ATOM 144 O VAL A 10 -11.746 9.178 -24.099 1.00 54.41 O ATOM 145 CB VAL A 10 -9.148 9.862 -25.443 1.00 74.10 C ATOM 146 CG1 VAL A 10 -9.895 8.853 -26.303 1.00 4.31 C ATOM 147 CG2 VAL A 10 -9.569 11.283 -25.787 1.00 30.20 C ATOM 0 H VAL A 10 -8.882 7.594 -24.407 1.00 74.52 H new ATOM 0 HA VAL A 10 -8.745 10.232 -23.356 1.00 2.12 H new ATOM 0 HB VAL A 10 -8.083 9.763 -25.651 1.00 74.10 H new ATOM 0 HG11 VAL A 10 -9.717 9.070 -27.356 1.00 4.31 H new ATOM 0 HG12 VAL A 10 -9.541 7.848 -26.075 1.00 4.31 H new ATOM 0 HG13 VAL A 10 -10.963 8.918 -26.095 1.00 4.31 H new ATOM 0 HG21 VAL A 10 -9.395 11.467 -26.847 1.00 30.20 H new ATOM 0 HG22 VAL A 10 -10.628 11.413 -25.565 1.00 30.20 H new ATOM 0 HG23 VAL A 10 -8.985 11.989 -25.196 1.00 30.20 H new ATOM 157 N SER A 11 -11.069 10.868 -22.776 1.00 21.32 N ATOM 158 CA SER A 11 -12.420 11.238 -22.371 1.00 41.43 C ATOM 159 C SER A 11 -12.618 12.749 -22.458 1.00 23.23 C ATOM 160 O SER A 11 -13.413 13.324 -21.715 1.00 42.12 O ATOM 161 CB SER A 11 -12.699 10.757 -20.946 1.00 64.22 C ATOM 162 OG SER A 11 -14.048 10.351 -20.800 1.00 34.21 O ATOM 0 H SER A 11 -10.333 11.443 -22.366 1.00 21.32 H new ATOM 0 HA SER A 11 -13.121 10.757 -23.052 1.00 41.43 H new ATOM 0 HB2 SER A 11 -12.037 9.925 -20.703 1.00 64.22 H new ATOM 0 HB3 SER A 11 -12.478 11.557 -20.239 1.00 64.22 H new ATOM 0 HG SER A 11 -14.200 10.047 -19.881 1.00 34.21 H new ATOM 168 N GLN A 12 -11.888 13.384 -23.369 1.00 70.53 N ATOM 169 CA GLN A 12 -11.982 14.827 -23.553 1.00 13.03 C ATOM 170 C GLN A 12 -13.194 15.190 -24.405 1.00 32.53 C ATOM 171 O GLN A 12 -13.438 14.579 -25.445 1.00 24.01 O ATOM 172 CB GLN A 12 -10.707 15.364 -24.204 1.00 62.03 C ATOM 173 CG GLN A 12 -10.530 14.924 -25.649 1.00 1.04 C ATOM 174 CD GLN A 12 -11.240 15.837 -26.628 1.00 53.41 C ATOM 175 OE1 GLN A 12 -12.012 15.381 -27.472 1.00 14.40 O ATOM 176 NE2 GLN A 12 -10.983 17.136 -26.521 1.00 23.40 N ATOM 0 H GLN A 12 -11.225 12.922 -23.991 1.00 70.53 H new ATOM 0 HA GLN A 12 -12.101 15.285 -22.571 1.00 13.03 H new ATOM 0 HB2 GLN A 12 -10.719 16.453 -24.163 1.00 62.03 H new ATOM 0 HB3 GLN A 12 -9.846 15.033 -23.624 1.00 62.03 H new ATOM 0 HG2 GLN A 12 -9.467 14.897 -25.889 1.00 1.04 H new ATOM 0 HG3 GLN A 12 -10.909 13.909 -25.765 1.00 1.04 H new ATOM 0 HE21 GLN A 12 -10.336 17.471 -25.807 1.00 23.40 H new ATOM 0 HE22 GLN A 12 -11.432 17.799 -27.153 1.00 23.40 H new ATOM 185 N GLU A 13 -13.950 16.186 -23.956 1.00 14.43 N ATOM 186 CA GLU A 13 -15.138 16.628 -24.677 1.00 42.54 C ATOM 187 C GLU A 13 -14.887 17.965 -25.370 1.00 15.23 C ATOM 188 O GLU A 13 -14.075 18.779 -24.929 1.00 32.30 O ATOM 189 CB GLU A 13 -16.326 16.751 -23.722 1.00 14.43 C ATOM 190 CG GLU A 13 -17.188 15.501 -23.658 1.00 3.33 C ATOM 191 CD GLU A 13 -18.609 15.794 -23.217 1.00 40.04 C ATOM 192 OE1 GLU A 13 -18.830 15.957 -21.999 1.00 53.11 O ATOM 193 OE2 GLU A 13 -19.499 15.860 -24.090 1.00 74.32 O ATOM 0 H GLU A 13 -13.761 16.702 -23.097 1.00 14.43 H new ATOM 0 HA GLU A 13 -15.369 15.882 -25.437 1.00 42.54 H new ATOM 0 HB2 GLU A 13 -15.956 16.978 -22.722 1.00 14.43 H new ATOM 0 HB3 GLU A 13 -16.945 17.593 -24.032 1.00 14.43 H new ATOM 0 HG2 GLU A 13 -17.207 15.026 -24.639 1.00 3.33 H new ATOM 0 HG3 GLU A 13 -16.737 14.788 -22.968 1.00 3.33 H new ATOM 200 N PRO A 14 -15.601 18.198 -26.481 1.00 53.21 N ATOM 201 CA PRO A 14 -15.475 19.434 -27.259 1.00 4.44 C ATOM 202 C PRO A 14 -16.043 20.643 -26.523 1.00 3.05 C ATOM 203 O PRO A 14 -17.163 20.603 -26.013 1.00 62.20 O ATOM 204 CB PRO A 14 -16.291 19.145 -28.521 1.00 23.12 C ATOM 205 CG PRO A 14 -17.279 18.111 -28.104 1.00 64.41 C ATOM 206 CD PRO A 14 -16.587 17.273 -27.064 1.00 35.00 C ATOM 0 HA PRO A 14 -14.433 19.685 -27.457 1.00 4.44 H new ATOM 0 HB2 PRO A 14 -16.788 20.044 -28.885 1.00 23.12 H new ATOM 0 HB3 PRO A 14 -15.656 18.783 -29.329 1.00 23.12 H new ATOM 0 HG2 PRO A 14 -18.179 18.573 -27.698 1.00 64.41 H new ATOM 0 HG3 PRO A 14 -17.589 17.502 -28.953 1.00 64.41 H new ATOM 0 HD2 PRO A 14 -17.287 16.906 -26.313 1.00 35.00 H new ATOM 0 HD3 PRO A 14 -16.107 16.400 -27.506 1.00 35.00 H new ATOM 214 N LYS A 15 -15.264 21.718 -26.470 1.00 44.14 N ATOM 215 CA LYS A 15 -15.689 22.940 -25.798 1.00 51.02 C ATOM 216 C LYS A 15 -14.676 24.060 -26.013 1.00 53.22 C ATOM 217 O LYS A 15 -14.882 24.947 -26.843 1.00 22.54 O ATOM 218 CB LYS A 15 -15.873 22.685 -24.301 1.00 13.05 C ATOM 219 CG LYS A 15 -17.320 22.761 -23.844 1.00 21.00 C ATOM 220 CD LYS A 15 -17.935 24.114 -24.162 1.00 61.53 C ATOM 221 CE LYS A 15 -19.203 24.353 -23.357 1.00 60.42 C ATOM 222 NZ LYS A 15 -20.019 25.461 -23.925 1.00 14.34 N ATOM 0 H LYS A 15 -14.334 21.768 -26.885 1.00 44.14 H new ATOM 0 HA LYS A 15 -16.642 23.249 -26.228 1.00 51.02 H new ATOM 0 HB2 LYS A 15 -15.475 21.700 -24.057 1.00 13.05 H new ATOM 0 HB3 LYS A 15 -15.286 23.413 -23.742 1.00 13.05 H new ATOM 0 HG2 LYS A 15 -17.898 21.975 -24.330 1.00 21.00 H new ATOM 0 HG3 LYS A 15 -17.374 22.579 -22.771 1.00 21.00 H new ATOM 0 HD2 LYS A 15 -17.213 24.902 -23.948 1.00 61.53 H new ATOM 0 HD3 LYS A 15 -18.163 24.170 -25.226 1.00 61.53 H new ATOM 0 HE2 LYS A 15 -19.797 23.439 -23.335 1.00 60.42 H new ATOM 0 HE3 LYS A 15 -18.940 24.587 -22.326 1.00 60.42 H new ATOM 0 HZ1 LYS A 15 -20.670 25.820 -23.198 1.00 14.34 H new ATOM 0 HZ2 LYS A 15 -19.392 26.229 -24.238 1.00 14.34 H new ATOM 0 HZ3 LYS A 15 -20.566 25.109 -24.736 1.00 14.34 H new ATOM 236 N LYS A 16 -13.581 24.014 -25.262 1.00 34.21 N ATOM 237 CA LYS A 16 -12.534 25.023 -25.371 1.00 74.45 C ATOM 238 C LYS A 16 -13.135 26.422 -25.462 1.00 45.04 C ATOM 239 O LYS A 16 -12.703 27.241 -26.273 1.00 45.43 O ATOM 240 CB LYS A 16 -11.661 24.750 -26.598 1.00 73.14 C ATOM 241 CG LYS A 16 -10.176 24.939 -26.342 1.00 52.33 C ATOM 242 CD LYS A 16 -9.503 23.629 -25.968 1.00 14.31 C ATOM 243 CE LYS A 16 -9.267 22.755 -27.190 1.00 32.12 C ATOM 244 NZ LYS A 16 -8.193 21.751 -26.954 1.00 44.23 N ATOM 0 H LYS A 16 -13.395 23.288 -24.570 1.00 34.21 H new ATOM 0 HA LYS A 16 -11.917 24.970 -24.474 1.00 74.45 H new ATOM 0 HB2 LYS A 16 -11.836 23.729 -26.938 1.00 73.14 H new ATOM 0 HB3 LYS A 16 -11.969 25.412 -27.407 1.00 73.14 H new ATOM 0 HG2 LYS A 16 -9.702 25.351 -27.233 1.00 52.33 H new ATOM 0 HG3 LYS A 16 -10.033 25.664 -25.541 1.00 52.33 H new ATOM 0 HD2 LYS A 16 -8.552 23.835 -25.477 1.00 14.31 H new ATOM 0 HD3 LYS A 16 -10.123 23.092 -25.250 1.00 14.31 H new ATOM 0 HE2 LYS A 16 -10.192 22.242 -27.454 1.00 32.12 H new ATOM 0 HE3 LYS A 16 -8.997 23.383 -28.039 1.00 32.12 H new ATOM 0 HZ1 LYS A 16 -7.838 21.401 -27.867 1.00 44.23 H new ATOM 0 HZ2 LYS A 16 -7.414 22.194 -26.426 1.00 44.23 H new ATOM 0 HZ3 LYS A 16 -8.576 20.956 -26.404 1.00 44.23 H new ATOM 258 N ASP A 17 -14.131 26.689 -24.625 1.00 63.01 N ATOM 259 CA ASP A 17 -14.788 27.991 -24.609 1.00 73.54 C ATOM 260 C ASP A 17 -14.760 28.597 -23.210 1.00 22.11 C ATOM 261 O ASP A 17 -15.002 27.908 -22.219 1.00 20.33 O ATOM 262 CB ASP A 17 -16.233 27.861 -25.094 1.00 14.55 C ATOM 263 CG ASP A 17 -16.330 27.736 -26.601 1.00 42.43 C ATOM 264 OD1 ASP A 17 -15.323 28.015 -27.286 1.00 23.53 O ATOM 265 OD2 ASP A 17 -17.412 27.360 -27.097 1.00 31.51 O ATOM 0 H ASP A 17 -14.501 26.021 -23.949 1.00 63.01 H new ATOM 0 HA ASP A 17 -14.245 28.654 -25.282 1.00 73.54 H new ATOM 0 HB2 ASP A 17 -16.691 26.988 -24.630 1.00 14.55 H new ATOM 0 HB3 ASP A 17 -16.802 28.731 -24.767 1.00 14.55 H new ATOM 270 N TYR A 18 -14.462 29.889 -23.137 1.00 3.23 N ATOM 271 CA TYR A 18 -14.398 30.588 -21.858 1.00 61.34 C ATOM 272 C TYR A 18 -14.873 32.030 -22.002 1.00 2.53 C ATOM 273 O TYR A 18 -14.800 32.616 -23.083 1.00 13.21 O ATOM 274 CB TYR A 18 -12.970 30.561 -21.309 1.00 54.05 C ATOM 275 CG TYR A 18 -12.866 29.971 -19.921 1.00 74.34 C ATOM 276 CD1 TYR A 18 -13.070 28.613 -19.705 1.00 44.41 C ATOM 277 CD2 TYR A 18 -12.564 30.770 -18.826 1.00 41.51 C ATOM 278 CE1 TYR A 18 -12.976 28.070 -18.438 1.00 53.25 C ATOM 279 CE2 TYR A 18 -12.467 30.236 -17.556 1.00 71.40 C ATOM 280 CZ TYR A 18 -12.675 28.885 -17.367 1.00 43.13 C ATOM 281 OH TYR A 18 -12.579 28.347 -16.104 1.00 54.52 O ATOM 0 H TYR A 18 -14.261 30.474 -23.948 1.00 3.23 H new ATOM 0 HA TYR A 18 -15.058 30.075 -21.158 1.00 61.34 H new ATOM 0 HB2 TYR A 18 -12.340 29.986 -21.987 1.00 54.05 H new ATOM 0 HB3 TYR A 18 -12.577 31.577 -21.293 1.00 54.05 H new ATOM 0 HD1 TYR A 18 -13.306 27.972 -20.541 1.00 44.41 H new ATOM 0 HD2 TYR A 18 -12.402 31.828 -18.970 1.00 41.51 H new ATOM 0 HE1 TYR A 18 -13.137 27.013 -18.287 1.00 53.25 H new ATOM 0 HE2 TYR A 18 -12.230 30.872 -16.716 1.00 71.40 H new ATOM 0 HH TYR A 18 -13.476 28.149 -15.764 1.00 54.52 H new ATOM 291 N LEU A 19 -15.358 32.598 -20.903 1.00 53.23 N ATOM 292 CA LEU A 19 -15.845 33.973 -20.904 1.00 12.40 C ATOM 293 C LEU A 19 -14.688 34.961 -20.790 1.00 71.21 C ATOM 294 O LEU A 19 -13.711 34.710 -20.085 1.00 22.50 O ATOM 295 CB LEU A 19 -16.829 34.188 -19.752 1.00 64.41 C ATOM 296 CG LEU A 19 -16.220 34.233 -18.350 1.00 35.31 C ATOM 297 CD1 LEU A 19 -16.036 35.672 -17.894 1.00 70.21 C ATOM 298 CD2 LEU A 19 -17.093 33.467 -17.365 1.00 45.15 C ATOM 0 H LEU A 19 -15.424 32.128 -20.000 1.00 53.23 H new ATOM 0 HA LEU A 19 -16.358 34.149 -21.850 1.00 12.40 H new ATOM 0 HB2 LEU A 19 -17.362 35.123 -19.925 1.00 64.41 H new ATOM 0 HB3 LEU A 19 -17.570 33.389 -19.779 1.00 64.41 H new ATOM 0 HG LEU A 19 -15.240 33.756 -18.384 1.00 35.31 H new ATOM 0 HD11 LEU A 19 -15.602 35.684 -16.894 1.00 70.21 H new ATOM 0 HD12 LEU A 19 -15.371 36.190 -18.585 1.00 70.21 H new ATOM 0 HD13 LEU A 19 -17.003 36.174 -17.875 1.00 70.21 H new ATOM 0 HD21 LEU A 19 -16.645 33.509 -16.372 1.00 45.15 H new ATOM 0 HD22 LEU A 19 -18.086 33.915 -17.334 1.00 45.15 H new ATOM 0 HD23 LEU A 19 -17.174 32.427 -17.683 1.00 45.15 H new ATOM 310 N VAL A 20 -14.807 36.086 -21.487 1.00 45.34 N ATOM 311 CA VAL A 20 -13.772 37.114 -21.462 1.00 73.42 C ATOM 312 C VAL A 20 -13.450 37.534 -20.033 1.00 24.44 C ATOM 313 O VAL A 20 -14.339 37.635 -19.189 1.00 2.24 O ATOM 314 CB VAL A 20 -14.196 38.356 -22.267 1.00 41.45 C ATOM 315 CG1 VAL A 20 -14.516 37.978 -23.705 1.00 63.45 C ATOM 316 CG2 VAL A 20 -15.387 39.037 -21.609 1.00 64.22 C ATOM 0 H VAL A 20 -15.609 36.309 -22.076 1.00 45.34 H new ATOM 0 HA VAL A 20 -12.883 36.680 -21.919 1.00 73.42 H new ATOM 0 HB VAL A 20 -13.364 39.060 -22.278 1.00 41.45 H new ATOM 0 HG11 VAL A 20 -14.814 38.869 -24.258 1.00 63.45 H new ATOM 0 HG12 VAL A 20 -13.633 37.540 -24.171 1.00 63.45 H new ATOM 0 HG13 VAL A 20 -15.331 37.254 -23.718 1.00 63.45 H new ATOM 0 HG21 VAL A 20 -15.673 39.913 -22.192 1.00 64.22 H new ATOM 0 HG22 VAL A 20 -16.225 38.341 -21.564 1.00 64.22 H new ATOM 0 HG23 VAL A 20 -15.117 39.345 -20.599 1.00 64.22 H new ATOM 326 N GLY A 21 -12.170 37.777 -19.768 1.00 4.34 N ATOM 327 CA GLY A 21 -11.752 38.184 -18.439 1.00 5.12 C ATOM 328 C GLY A 21 -11.188 37.032 -17.630 1.00 44.54 C ATOM 329 O GLY A 21 -10.573 37.242 -16.584 1.00 70.34 O ATOM 0 H GLY A 21 -11.415 37.699 -20.450 1.00 4.34 H new ATOM 0 HA2 GLY A 21 -10.999 38.968 -18.522 1.00 5.12 H new ATOM 0 HA3 GLY A 21 -12.602 38.614 -17.910 1.00 5.12 H new ATOM 333 N ASP A 22 -11.398 35.813 -18.114 1.00 41.44 N ATOM 334 CA ASP A 22 -10.906 34.623 -17.429 1.00 54.53 C ATOM 335 C ASP A 22 -9.923 33.857 -18.309 1.00 10.44 C ATOM 336 O ASP A 22 -9.315 32.880 -17.872 1.00 14.13 O ATOM 337 CB ASP A 22 -12.074 33.716 -17.038 1.00 25.14 C ATOM 338 CG ASP A 22 -12.977 34.351 -15.999 1.00 73.21 C ATOM 339 OD1 ASP A 22 -12.537 35.316 -15.340 1.00 14.04 O ATOM 340 OD2 ASP A 22 -14.125 33.883 -15.846 1.00 41.03 O ATOM 0 H ASP A 22 -11.906 35.623 -18.978 1.00 41.44 H new ATOM 0 HA ASP A 22 -10.385 34.942 -16.526 1.00 54.53 H new ATOM 0 HB2 ASP A 22 -12.659 33.478 -17.927 1.00 25.14 H new ATOM 0 HB3 ASP A 22 -11.685 32.774 -16.651 1.00 25.14 H new ATOM 345 N SER A 23 -9.772 34.307 -19.550 1.00 55.42 N ATOM 346 CA SER A 23 -8.867 33.661 -20.493 1.00 4.41 C ATOM 347 C SER A 23 -9.318 32.234 -20.789 1.00 0.40 C ATOM 348 O SER A 23 -10.073 31.637 -20.020 1.00 42.23 O ATOM 349 CB SER A 23 -7.441 33.653 -19.938 1.00 62.33 C ATOM 350 OG SER A 23 -7.153 34.859 -19.252 1.00 71.32 O ATOM 0 H SER A 23 -10.265 35.117 -19.926 1.00 55.42 H new ATOM 0 HA SER A 23 -8.885 34.229 -21.423 1.00 4.41 H new ATOM 0 HB2 SER A 23 -7.316 32.808 -19.262 1.00 62.33 H new ATOM 0 HB3 SER A 23 -6.731 33.517 -20.754 1.00 62.33 H new ATOM 0 HG SER A 23 -6.237 34.828 -18.906 1.00 71.32 H new ATOM 356 N LEU A 24 -8.851 31.693 -21.909 1.00 4.35 N ATOM 357 CA LEU A 24 -9.205 30.336 -22.308 1.00 70.22 C ATOM 358 C LEU A 24 -8.752 29.324 -21.261 1.00 23.22 C ATOM 359 O LEU A 24 -7.649 29.425 -20.722 1.00 34.21 O ATOM 360 CB LEU A 24 -8.577 30.001 -23.662 1.00 51.44 C ATOM 361 CG LEU A 24 -7.112 29.564 -23.633 1.00 51.12 C ATOM 362 CD1 LEU A 24 -6.654 29.142 -25.020 1.00 65.43 C ATOM 363 CD2 LEU A 24 -6.232 30.683 -23.096 1.00 50.44 C ATOM 0 H LEU A 24 -8.226 32.174 -22.557 1.00 4.35 H new ATOM 0 HA LEU A 24 -10.290 30.281 -22.394 1.00 70.22 H new ATOM 0 HB2 LEU A 24 -9.163 29.207 -24.125 1.00 51.44 H new ATOM 0 HB3 LEU A 24 -8.661 30.877 -24.306 1.00 51.44 H new ATOM 0 HG LEU A 24 -7.022 28.706 -22.966 1.00 51.12 H new ATOM 0 HD11 LEU A 24 -5.609 28.834 -24.980 1.00 65.43 H new ATOM 0 HD12 LEU A 24 -7.265 28.309 -25.367 1.00 65.43 H new ATOM 0 HD13 LEU A 24 -6.759 29.980 -25.709 1.00 65.43 H new ATOM 0 HD21 LEU A 24 -5.193 30.354 -23.083 1.00 50.44 H new ATOM 0 HD22 LEU A 24 -6.327 31.560 -23.737 1.00 50.44 H new ATOM 0 HD23 LEU A 24 -6.545 30.938 -22.084 1.00 50.44 H new ATOM 375 N ASP A 25 -9.608 28.348 -20.979 1.00 41.11 N ATOM 376 CA ASP A 25 -9.294 27.315 -19.999 1.00 14.14 C ATOM 377 C ASP A 25 -10.230 26.120 -20.150 1.00 54.01 C ATOM 378 O ASP A 25 -11.213 25.990 -19.418 1.00 44.42 O ATOM 379 CB ASP A 25 -9.394 27.880 -18.581 1.00 12.30 C ATOM 380 CG ASP A 25 -9.127 26.831 -17.519 1.00 52.53 C ATOM 381 OD1 ASP A 25 -10.093 26.172 -17.080 1.00 1.53 O ATOM 382 OD2 ASP A 25 -7.952 26.669 -17.129 1.00 35.03 O ATOM 0 H ASP A 25 -10.525 28.251 -21.415 1.00 41.11 H new ATOM 0 HA ASP A 25 -8.273 26.979 -20.177 1.00 14.14 H new ATOM 0 HB2 ASP A 25 -8.681 28.697 -18.468 1.00 12.30 H new ATOM 0 HB3 ASP A 25 -10.388 28.301 -18.430 1.00 12.30 H new ATOM 387 N LEU A 26 -9.920 25.250 -21.105 1.00 35.33 N ATOM 388 CA LEU A 26 -10.734 24.065 -21.353 1.00 75.15 C ATOM 389 C LEU A 26 -10.971 23.286 -20.064 1.00 22.14 C ATOM 390 O LEU A 26 -10.033 22.996 -19.321 1.00 62.53 O ATOM 391 CB LEU A 26 -10.058 23.165 -22.389 1.00 43.42 C ATOM 392 CG LEU A 26 -10.614 21.746 -22.511 1.00 42.33 C ATOM 393 CD1 LEU A 26 -12.025 21.773 -23.077 1.00 32.20 C ATOM 394 CD2 LEU A 26 -9.705 20.890 -23.381 1.00 43.21 C ATOM 0 H LEU A 26 -9.111 25.343 -21.720 1.00 35.33 H new ATOM 0 HA LEU A 26 -11.699 24.393 -21.740 1.00 75.15 H new ATOM 0 HB2 LEU A 26 -10.132 23.648 -23.364 1.00 43.42 H new ATOM 0 HB3 LEU A 26 -8.998 23.098 -22.146 1.00 43.42 H new ATOM 0 HG LEU A 26 -10.652 21.304 -21.515 1.00 42.33 H new ATOM 0 HD11 LEU A 26 -12.405 20.754 -23.157 1.00 32.20 H new ATOM 0 HD12 LEU A 26 -12.671 22.350 -22.416 1.00 32.20 H new ATOM 0 HD13 LEU A 26 -12.012 22.234 -24.065 1.00 32.20 H new ATOM 0 HD21 LEU A 26 -10.116 19.883 -23.457 1.00 43.21 H new ATOM 0 HD22 LEU A 26 -9.635 21.329 -24.376 1.00 43.21 H new ATOM 0 HD23 LEU A 26 -8.712 20.843 -22.934 1.00 43.21 H new ATOM 406 N SER A 27 -12.230 22.949 -19.804 1.00 71.32 N ATOM 407 CA SER A 27 -12.590 22.204 -18.603 1.00 52.41 C ATOM 408 C SER A 27 -13.365 20.939 -18.960 1.00 2.31 C ATOM 409 O SER A 27 -13.730 20.156 -18.085 1.00 33.45 O ATOM 410 CB SER A 27 -13.425 23.080 -17.666 1.00 63.31 C ATOM 411 OG SER A 27 -14.622 23.503 -18.295 1.00 32.41 O ATOM 0 H SER A 27 -13.018 23.180 -20.409 1.00 71.32 H new ATOM 0 HA SER A 27 -11.670 21.914 -18.095 1.00 52.41 H new ATOM 0 HB2 SER A 27 -13.664 22.524 -16.760 1.00 63.31 H new ATOM 0 HB3 SER A 27 -12.843 23.950 -17.362 1.00 63.31 H new ATOM 0 HG SER A 27 -14.804 24.436 -18.057 1.00 32.41 H new ATOM 417 N GLU A 28 -13.611 20.748 -20.252 1.00 41.23 N ATOM 418 CA GLU A 28 -14.343 19.579 -20.725 1.00 42.01 C ATOM 419 C GLU A 28 -13.384 18.500 -21.219 1.00 64.04 C ATOM 420 O GLU A 28 -13.756 17.334 -21.347 1.00 42.42 O ATOM 421 CB GLU A 28 -15.307 19.972 -21.846 1.00 41.34 C ATOM 422 CG GLU A 28 -16.628 20.531 -21.345 1.00 71.51 C ATOM 423 CD GLU A 28 -17.328 19.595 -20.379 1.00 22.43 C ATOM 424 OE1 GLU A 28 -17.092 18.371 -20.461 1.00 54.22 O ATOM 425 OE2 GLU A 28 -18.111 20.087 -19.539 1.00 61.33 O ATOM 0 H GLU A 28 -13.314 21.387 -20.989 1.00 41.23 H new ATOM 0 HA GLU A 28 -14.915 19.177 -19.888 1.00 42.01 H new ATOM 0 HB2 GLU A 28 -14.826 20.714 -22.483 1.00 41.34 H new ATOM 0 HB3 GLU A 28 -15.504 19.098 -22.467 1.00 41.34 H new ATOM 0 HG2 GLU A 28 -16.451 21.488 -20.854 1.00 71.51 H new ATOM 0 HG3 GLU A 28 -17.282 20.725 -22.195 1.00 71.51 H new ATOM 432 N GLY A 29 -12.146 18.899 -21.497 1.00 23.54 N ATOM 433 CA GLY A 29 -11.152 17.955 -21.974 1.00 70.23 C ATOM 434 C GLY A 29 -10.440 17.240 -20.843 1.00 3.50 C ATOM 435 O GLY A 29 -9.333 17.620 -20.459 1.00 53.22 O ATOM 0 H GLY A 29 -11.814 19.859 -21.400 1.00 23.54 H new ATOM 0 HA2 GLY A 29 -11.634 17.219 -22.618 1.00 70.23 H new ATOM 0 HA3 GLY A 29 -10.419 18.482 -22.585 1.00 70.23 H new ATOM 439 N ARG A 30 -11.075 16.204 -20.306 1.00 55.14 N ATOM 440 CA ARG A 30 -10.497 15.437 -19.210 1.00 64.10 C ATOM 441 C ARG A 30 -10.094 14.041 -19.676 1.00 72.14 C ATOM 442 O ARG A 30 -10.647 13.514 -20.642 1.00 40.23 O ATOM 443 CB ARG A 30 -11.491 15.333 -18.052 1.00 24.52 C ATOM 444 CG ARG A 30 -12.785 14.628 -18.422 1.00 73.31 C ATOM 445 CD ARG A 30 -13.956 15.597 -18.459 1.00 54.14 C ATOM 446 NE ARG A 30 -15.239 14.911 -18.332 1.00 72.12 N ATOM 447 CZ ARG A 30 -15.665 14.351 -17.205 1.00 42.50 C ATOM 448 NH1 ARG A 30 -14.914 14.397 -16.114 1.00 4.25 N ATOM 449 NH2 ARG A 30 -16.844 13.745 -17.168 1.00 55.11 N ATOM 0 H ARG A 30 -11.991 15.876 -20.613 1.00 55.14 H new ATOM 0 HA ARG A 30 -9.603 15.958 -18.867 1.00 64.10 H new ATOM 0 HB2 ARG A 30 -11.020 14.800 -17.227 1.00 24.52 H new ATOM 0 HB3 ARG A 30 -11.723 16.335 -17.692 1.00 24.52 H new ATOM 0 HG2 ARG A 30 -12.675 14.151 -19.396 1.00 73.31 H new ATOM 0 HG3 ARG A 30 -12.989 13.837 -17.701 1.00 73.31 H new ATOM 0 HD2 ARG A 30 -13.852 16.323 -17.652 1.00 54.14 H new ATOM 0 HD3 ARG A 30 -13.935 16.156 -19.395 1.00 54.14 H new ATOM 0 HE ARG A 30 -15.841 14.859 -19.154 1.00 72.12 H new ATOM 0 HH11 ARG A 30 -14.007 14.863 -16.138 1.00 4.25 H new ATOM 0 HH12 ARG A 30 -15.243 13.966 -15.250 1.00 4.25 H new ATOM 0 HH21 ARG A 30 -17.425 13.708 -18.005 1.00 55.11 H new ATOM 0 HH22 ARG A 30 -17.170 13.316 -16.302 1.00 55.11 H new ATOM 463 N PHE A 31 -9.128 13.447 -18.984 1.00 43.11 N ATOM 464 CA PHE A 31 -8.650 12.113 -19.328 1.00 21.01 C ATOM 465 C PHE A 31 -8.840 11.149 -18.160 1.00 52.41 C ATOM 466 O PHE A 31 -8.772 11.546 -16.997 1.00 75.21 O ATOM 467 CB PHE A 31 -7.173 12.164 -19.726 1.00 75.14 C ATOM 468 CG PHE A 31 -6.257 12.506 -18.587 1.00 45.10 C ATOM 469 CD1 PHE A 31 -6.097 13.821 -18.180 1.00 20.34 C ATOM 470 CD2 PHE A 31 -5.554 11.513 -17.924 1.00 3.12 C ATOM 471 CE1 PHE A 31 -5.254 14.139 -17.131 1.00 52.13 C ATOM 472 CE2 PHE A 31 -4.710 11.825 -16.875 1.00 10.44 C ATOM 473 CZ PHE A 31 -4.559 13.140 -16.479 1.00 11.03 C ATOM 0 H PHE A 31 -8.661 13.868 -18.181 1.00 43.11 H new ATOM 0 HA PHE A 31 -9.235 11.752 -20.174 1.00 21.01 H new ATOM 0 HB2 PHE A 31 -6.882 11.198 -20.138 1.00 75.14 H new ATOM 0 HB3 PHE A 31 -7.044 12.900 -20.519 1.00 75.14 H new ATOM 0 HD1 PHE A 31 -6.637 14.606 -18.688 1.00 20.34 H new ATOM 0 HD2 PHE A 31 -5.667 10.484 -18.230 1.00 3.12 H new ATOM 0 HE1 PHE A 31 -5.139 15.168 -16.822 1.00 52.13 H new ATOM 0 HE2 PHE A 31 -4.169 11.042 -16.365 1.00 10.44 H new ATOM 0 HZ PHE A 31 -3.898 13.386 -15.661 1.00 11.03 H new ATOM 483 N ALA A 32 -9.079 9.882 -18.480 1.00 32.32 N ATOM 484 CA ALA A 32 -9.278 8.861 -17.459 1.00 20.15 C ATOM 485 C ALA A 32 -8.079 7.922 -17.380 1.00 70.12 C ATOM 486 O ALA A 32 -7.739 7.250 -18.354 1.00 74.21 O ATOM 487 CB ALA A 32 -10.550 8.074 -17.739 1.00 44.03 C ATOM 0 H ALA A 32 -9.140 9.538 -19.438 1.00 32.32 H new ATOM 0 HA ALA A 32 -9.379 9.361 -16.496 1.00 20.15 H new ATOM 0 HB1 ALA A 32 -10.685 7.315 -16.968 1.00 44.03 H new ATOM 0 HB2 ALA A 32 -11.405 8.751 -17.736 1.00 44.03 H new ATOM 0 HB3 ALA A 32 -10.472 7.592 -18.713 1.00 44.03 H new ATOM 493 N VAL A 33 -7.440 7.881 -16.215 1.00 75.31 N ATOM 494 CA VAL A 33 -6.279 7.024 -16.010 1.00 31.44 C ATOM 495 C VAL A 33 -6.611 5.862 -15.079 1.00 41.24 C ATOM 496 O VAL A 33 -7.322 6.030 -14.089 1.00 44.40 O ATOM 497 CB VAL A 33 -5.095 7.814 -15.423 1.00 45.42 C ATOM 498 CG1 VAL A 33 -5.349 8.152 -13.962 1.00 23.10 C ATOM 499 CG2 VAL A 33 -3.801 7.030 -15.580 1.00 63.15 C ATOM 0 H VAL A 33 -7.707 8.432 -15.399 1.00 75.31 H new ATOM 0 HA VAL A 33 -5.997 6.634 -16.988 1.00 31.44 H new ATOM 0 HB VAL A 33 -4.996 8.749 -15.975 1.00 45.42 H new ATOM 0 HG11 VAL A 33 -4.501 8.710 -13.565 1.00 23.10 H new ATOM 0 HG12 VAL A 33 -6.252 8.757 -13.880 1.00 23.10 H new ATOM 0 HG13 VAL A 33 -5.476 7.231 -13.392 1.00 23.10 H new ATOM 0 HG21 VAL A 33 -2.975 7.603 -15.160 1.00 63.15 H new ATOM 0 HG22 VAL A 33 -3.886 6.078 -15.055 1.00 63.15 H new ATOM 0 HG23 VAL A 33 -3.613 6.846 -16.638 1.00 63.15 H new ATOM 509 N ALA A 34 -6.091 4.683 -15.405 1.00 3.30 N ATOM 510 CA ALA A 34 -6.329 3.494 -14.597 1.00 74.32 C ATOM 511 C ALA A 34 -5.113 3.159 -13.740 1.00 73.34 C ATOM 512 O ALA A 34 -4.037 2.864 -14.261 1.00 51.11 O ATOM 513 CB ALA A 34 -6.691 2.314 -15.488 1.00 43.53 C ATOM 0 H ALA A 34 -5.502 4.526 -16.223 1.00 3.30 H new ATOM 0 HA ALA A 34 -7.165 3.701 -13.929 1.00 74.32 H new ATOM 0 HB1 ALA A 34 -6.866 1.433 -14.871 1.00 43.53 H new ATOM 0 HB2 ALA A 34 -7.594 2.547 -16.052 1.00 43.53 H new ATOM 0 HB3 ALA A 34 -5.872 2.116 -16.180 1.00 43.53 H new ATOM 519 N TYR A 35 -5.291 3.206 -12.425 1.00 11.50 N ATOM 520 CA TYR A 35 -4.207 2.911 -11.496 1.00 1.11 C ATOM 521 C TYR A 35 -3.998 1.406 -11.364 1.00 24.42 C ATOM 522 O TYR A 35 -4.905 0.616 -11.626 1.00 0.15 O ATOM 523 CB TYR A 35 -4.503 3.518 -10.124 1.00 13.33 C ATOM 524 CG TYR A 35 -4.346 5.021 -10.080 1.00 5.51 C ATOM 525 CD1 TYR A 35 -5.339 5.858 -10.573 1.00 11.41 C ATOM 526 CD2 TYR A 35 -3.203 5.605 -9.547 1.00 21.24 C ATOM 527 CE1 TYR A 35 -5.199 7.232 -10.536 1.00 13.33 C ATOM 528 CE2 TYR A 35 -3.055 6.978 -9.504 1.00 31.41 C ATOM 529 CZ TYR A 35 -4.056 7.787 -10.000 1.00 2.02 C ATOM 530 OH TYR A 35 -3.912 9.155 -9.960 1.00 63.04 O ATOM 0 H TYR A 35 -6.176 3.446 -11.978 1.00 11.50 H new ATOM 0 HA TYR A 35 -3.293 3.354 -11.892 1.00 1.11 H new ATOM 0 HB2 TYR A 35 -5.521 3.259 -9.833 1.00 13.33 H new ATOM 0 HB3 TYR A 35 -3.837 3.070 -9.386 1.00 13.33 H new ATOM 0 HD1 TYR A 35 -6.236 5.427 -10.993 1.00 11.41 H new ATOM 0 HD2 TYR A 35 -2.417 4.974 -9.160 1.00 21.24 H new ATOM 0 HE1 TYR A 35 -5.981 7.868 -10.925 1.00 13.33 H new ATOM 0 HE2 TYR A 35 -2.161 7.415 -9.085 1.00 31.41 H new ATOM 0 HH TYR A 35 -4.792 9.579 -10.041 1.00 63.04 H new ATOM 540 N SER A 36 -2.794 1.016 -10.955 1.00 74.31 N ATOM 541 CA SER A 36 -2.463 -0.395 -10.791 1.00 0.25 C ATOM 542 C SER A 36 -3.250 -1.007 -9.636 1.00 13.32 C ATOM 543 O SER A 36 -3.296 -2.226 -9.479 1.00 11.01 O ATOM 544 CB SER A 36 -0.962 -0.563 -10.545 1.00 13.40 C ATOM 545 OG SER A 36 -0.591 -0.039 -9.282 1.00 24.34 O ATOM 0 H SER A 36 -2.033 1.657 -10.731 1.00 74.31 H new ATOM 0 HA SER A 36 -2.735 -0.916 -11.709 1.00 0.25 H new ATOM 0 HB2 SER A 36 -0.698 -1.619 -10.596 1.00 13.40 H new ATOM 0 HB3 SER A 36 -0.402 -0.056 -11.331 1.00 13.40 H new ATOM 0 HG SER A 36 0.372 -0.160 -9.148 1.00 24.34 H new ATOM 551 N ASN A 37 -3.869 -0.150 -8.830 1.00 1.30 N ATOM 552 CA ASN A 37 -4.654 -0.605 -7.689 1.00 15.25 C ATOM 553 C ASN A 37 -6.130 -0.725 -8.057 1.00 11.11 C ATOM 554 O ASN A 37 -7.003 -0.665 -7.191 1.00 74.43 O ATOM 555 CB ASN A 37 -4.488 0.359 -6.512 1.00 21.33 C ATOM 556 CG ASN A 37 -4.755 -0.308 -5.176 1.00 65.41 C ATOM 557 OD1 ASN A 37 -4.607 -1.522 -5.036 1.00 21.53 O ATOM 558 ND2 ASN A 37 -5.150 0.485 -4.187 1.00 62.12 N ATOM 0 H ASN A 37 -3.842 0.863 -8.946 1.00 1.30 H new ATOM 0 HA ASN A 37 -4.289 -1.590 -7.398 1.00 15.25 H new ATOM 0 HB2 ASN A 37 -3.476 0.764 -6.517 1.00 21.33 H new ATOM 0 HB3 ASN A 37 -5.169 1.201 -6.637 1.00 21.33 H new ATOM 0 HD21 ASN A 37 -5.344 0.093 -3.266 1.00 62.12 H new ATOM 0 HD22 ASN A 37 -5.259 1.486 -4.349 1.00 62.12 H new ATOM 565 N ASP A 38 -6.400 -0.895 -9.346 1.00 52.15 N ATOM 566 CA ASP A 38 -7.770 -1.025 -9.830 1.00 63.41 C ATOM 567 C ASP A 38 -8.594 0.205 -9.466 1.00 12.42 C ATOM 568 O ASP A 38 -9.495 0.138 -8.628 1.00 63.13 O ATOM 569 CB ASP A 38 -8.421 -2.281 -9.249 1.00 30.22 C ATOM 570 CG ASP A 38 -7.473 -3.464 -9.218 1.00 3.45 C ATOM 571 OD1 ASP A 38 -7.271 -4.090 -10.279 1.00 30.14 O ATOM 572 OD2 ASP A 38 -6.933 -3.763 -8.132 1.00 22.13 O ATOM 0 H ASP A 38 -5.689 -0.946 -10.075 1.00 52.15 H new ATOM 0 HA ASP A 38 -7.739 -1.110 -10.916 1.00 63.41 H new ATOM 0 HB2 ASP A 38 -8.769 -2.071 -8.237 1.00 30.22 H new ATOM 0 HB3 ASP A 38 -9.299 -2.538 -9.841 1.00 30.22 H new ATOM 577 N THR A 39 -8.280 1.331 -10.100 1.00 30.12 N ATOM 578 CA THR A 39 -8.990 2.577 -9.841 1.00 44.42 C ATOM 579 C THR A 39 -8.921 3.509 -11.046 1.00 2.34 C ATOM 580 O THR A 39 -7.945 3.499 -11.795 1.00 62.11 O ATOM 581 CB THR A 39 -8.417 3.305 -8.610 1.00 61.12 C ATOM 582 OG1 THR A 39 -7.165 2.720 -8.234 1.00 40.31 O ATOM 583 CG2 THR A 39 -9.387 3.235 -7.440 1.00 61.14 C ATOM 0 H THR A 39 -7.538 1.405 -10.796 1.00 30.12 H new ATOM 0 HA THR A 39 -10.030 2.314 -9.647 1.00 44.42 H new ATOM 0 HB THR A 39 -8.264 4.352 -8.873 1.00 61.12 H new ATOM 0 HG1 THR A 39 -6.806 3.189 -7.452 1.00 40.31 H new ATOM 0 HG21 THR A 39 -8.961 3.756 -6.582 1.00 61.14 H new ATOM 0 HG22 THR A 39 -10.329 3.707 -7.720 1.00 61.14 H new ATOM 0 HG23 THR A 39 -9.567 2.192 -7.179 1.00 61.14 H new ATOM 591 N MET A 40 -9.963 4.315 -11.225 1.00 64.41 N ATOM 592 CA MET A 40 -10.018 5.255 -12.339 1.00 35.34 C ATOM 593 C MET A 40 -10.234 6.679 -11.837 1.00 44.12 C ATOM 594 O MET A 40 -11.031 6.913 -10.930 1.00 22.24 O ATOM 595 CB MET A 40 -11.139 4.867 -13.305 1.00 51.24 C ATOM 596 CG MET A 40 -10.723 3.826 -14.332 1.00 40.31 C ATOM 597 SD MET A 40 -12.072 3.359 -15.434 1.00 1.42 S ATOM 598 CE MET A 40 -11.893 4.586 -16.727 1.00 21.12 C ATOM 0 H MET A 40 -10.779 4.336 -10.614 1.00 64.41 H new ATOM 0 HA MET A 40 -9.064 5.214 -12.865 1.00 35.34 H new ATOM 0 HB2 MET A 40 -11.984 4.484 -12.733 1.00 51.24 H new ATOM 0 HB3 MET A 40 -11.485 5.760 -13.825 1.00 51.24 H new ATOM 0 HG2 MET A 40 -9.894 4.216 -14.923 1.00 40.31 H new ATOM 0 HG3 MET A 40 -10.357 2.938 -13.816 1.00 40.31 H new ATOM 0 HE1 MET A 40 -12.588 4.365 -17.537 1.00 21.12 H new ATOM 0 HE2 MET A 40 -12.109 5.575 -16.323 1.00 21.12 H new ATOM 0 HE3 MET A 40 -10.873 4.565 -17.109 1.00 21.12 H new ATOM 608 N GLU A 41 -9.517 7.627 -12.434 1.00 72.42 N ATOM 609 CA GLU A 41 -9.630 9.028 -12.046 1.00 72.40 C ATOM 610 C GLU A 41 -9.780 9.922 -13.273 1.00 71.14 C ATOM 611 O GLU A 41 -9.053 9.772 -14.255 1.00 14.10 O ATOM 612 CB GLU A 41 -8.405 9.456 -11.236 1.00 23.20 C ATOM 613 CG GLU A 41 -8.384 8.898 -9.823 1.00 21.12 C ATOM 614 CD GLU A 41 -7.242 9.453 -8.993 1.00 71.34 C ATOM 615 OE1 GLU A 41 -6.735 10.541 -9.336 1.00 50.42 O ATOM 616 OE2 GLU A 41 -6.855 8.799 -8.002 1.00 75.25 O ATOM 0 H GLU A 41 -8.853 7.450 -13.187 1.00 72.42 H new ATOM 0 HA GLU A 41 -10.521 9.137 -11.428 1.00 72.40 H new ATOM 0 HB2 GLU A 41 -7.504 9.134 -11.758 1.00 23.20 H new ATOM 0 HB3 GLU A 41 -8.374 10.545 -11.188 1.00 23.20 H new ATOM 0 HG2 GLU A 41 -9.330 9.127 -9.332 1.00 21.12 H new ATOM 0 HG3 GLU A 41 -8.302 7.812 -9.866 1.00 21.12 H new ATOM 623 N GLU A 42 -10.729 10.851 -13.209 1.00 4.10 N ATOM 624 CA GLU A 42 -10.975 11.768 -14.315 1.00 42.45 C ATOM 625 C GLU A 42 -10.739 13.214 -13.887 1.00 30.22 C ATOM 626 O GLU A 42 -11.172 13.633 -12.813 1.00 1.12 O ATOM 627 CB GLU A 42 -12.405 11.605 -14.834 1.00 13.44 C ATOM 628 CG GLU A 42 -12.775 10.168 -15.159 1.00 64.02 C ATOM 629 CD GLU A 42 -13.703 9.556 -14.128 1.00 54.43 C ATOM 630 OE1 GLU A 42 -14.895 9.930 -14.109 1.00 32.40 O ATOM 631 OE2 GLU A 42 -13.239 8.706 -13.341 1.00 71.42 O ATOM 0 H GLU A 42 -11.339 10.988 -12.403 1.00 4.10 H new ATOM 0 HA GLU A 42 -10.276 11.526 -15.115 1.00 42.45 H new ATOM 0 HB2 GLU A 42 -13.099 11.990 -14.087 1.00 13.44 H new ATOM 0 HB3 GLU A 42 -12.529 12.214 -15.729 1.00 13.44 H new ATOM 0 HG2 GLU A 42 -13.252 10.133 -16.138 1.00 64.02 H new ATOM 0 HG3 GLU A 42 -11.867 9.569 -15.225 1.00 64.02 H new ATOM 638 N HIS A 43 -10.049 13.971 -14.734 1.00 11.12 N ATOM 639 CA HIS A 43 -9.755 15.370 -14.443 1.00 71.14 C ATOM 640 C HIS A 43 -9.551 16.161 -15.732 1.00 55.10 C ATOM 641 O HIS A 43 -8.964 15.662 -16.692 1.00 3.43 O ATOM 642 CB HIS A 43 -8.510 15.479 -13.562 1.00 54.11 C ATOM 643 CG HIS A 43 -8.812 15.848 -12.142 1.00 54.13 C ATOM 644 ND1 HIS A 43 -9.747 16.800 -11.795 1.00 12.23 N ATOM 645 CD2 HIS A 43 -8.298 15.386 -10.979 1.00 31.52 C ATOM 646 CE1 HIS A 43 -9.794 16.909 -10.479 1.00 23.41 C ATOM 647 NE2 HIS A 43 -8.924 16.060 -9.960 1.00 12.50 N ATOM 0 H HIS A 43 -9.683 13.640 -15.627 1.00 11.12 H new ATOM 0 HA HIS A 43 -10.607 15.791 -13.909 1.00 71.14 H new ATOM 0 HB2 HIS A 43 -7.980 14.527 -13.577 1.00 54.11 H new ATOM 0 HB3 HIS A 43 -7.838 16.224 -13.987 1.00 54.11 H new ATOM 0 HD2 HIS A 43 -7.536 14.628 -10.872 1.00 31.52 H new ATOM 0 HE1 HIS A 43 -10.434 17.578 -9.922 1.00 23.41 H new ATOM 0 HE2 HIS A 43 -8.747 15.927 -8.964 1.00 12.50 H new ATOM 655 N SER A 44 -10.042 17.396 -15.746 1.00 41.50 N ATOM 656 CA SER A 44 -9.918 18.255 -16.918 1.00 62.13 C ATOM 657 C SER A 44 -8.950 19.403 -16.650 1.00 41.45 C ATOM 658 O SER A 44 -9.137 20.184 -15.717 1.00 33.44 O ATOM 659 CB SER A 44 -11.287 18.809 -17.318 1.00 4.10 C ATOM 660 OG SER A 44 -11.505 20.088 -16.748 1.00 50.12 O ATOM 0 H SER A 44 -10.529 17.824 -14.959 1.00 41.50 H new ATOM 0 HA SER A 44 -9.524 17.655 -17.738 1.00 62.13 H new ATOM 0 HB2 SER A 44 -11.353 18.875 -18.404 1.00 4.10 H new ATOM 0 HB3 SER A 44 -12.070 18.124 -16.992 1.00 4.10 H new ATOM 0 HG SER A 44 -12.465 20.286 -16.746 1.00 50.12 H new ATOM 666 N PHE A 45 -7.914 19.501 -17.477 1.00 23.51 N ATOM 667 CA PHE A 45 -6.915 20.553 -17.330 1.00 64.50 C ATOM 668 C PHE A 45 -6.650 20.849 -15.857 1.00 11.41 C ATOM 669 O PHE A 45 -7.044 21.896 -15.341 1.00 50.34 O ATOM 670 CB PHE A 45 -7.375 21.825 -18.044 1.00 4.31 C ATOM 671 CG PHE A 45 -6.302 22.871 -18.155 1.00 52.12 C ATOM 672 CD1 PHE A 45 -5.061 22.556 -18.685 1.00 54.13 C ATOM 673 CD2 PHE A 45 -6.535 24.169 -17.730 1.00 51.12 C ATOM 674 CE1 PHE A 45 -4.073 23.516 -18.788 1.00 42.40 C ATOM 675 CE2 PHE A 45 -5.550 25.134 -17.831 1.00 34.21 C ATOM 676 CZ PHE A 45 -4.318 24.807 -18.361 1.00 41.05 C ATOM 0 H PHE A 45 -7.745 18.865 -18.256 1.00 23.51 H new ATOM 0 HA PHE A 45 -5.987 20.205 -17.785 1.00 64.50 H new ATOM 0 HB2 PHE A 45 -7.723 21.565 -19.044 1.00 4.31 H new ATOM 0 HB3 PHE A 45 -8.227 22.245 -17.509 1.00 4.31 H new ATOM 0 HD1 PHE A 45 -4.864 21.549 -19.021 1.00 54.13 H new ATOM 0 HD2 PHE A 45 -7.497 24.430 -17.315 1.00 51.12 H new ATOM 0 HE1 PHE A 45 -3.110 23.258 -19.202 1.00 42.40 H new ATOM 0 HE2 PHE A 45 -5.744 26.142 -17.496 1.00 34.21 H new ATOM 0 HZ PHE A 45 -3.547 25.559 -18.442 1.00 41.05 H new ATOM 686 N THR A 46 -5.980 19.920 -15.183 1.00 20.21 N ATOM 687 CA THR A 46 -5.664 20.080 -13.769 1.00 63.52 C ATOM 688 C THR A 46 -4.668 19.022 -13.306 1.00 0.53 C ATOM 689 O THR A 46 -3.807 19.292 -12.468 1.00 44.24 O ATOM 690 CB THR A 46 -6.930 19.993 -12.897 1.00 33.11 C ATOM 691 OG1 THR A 46 -6.587 20.160 -11.517 1.00 20.52 O ATOM 692 CG2 THR A 46 -7.632 18.657 -13.093 1.00 2.44 C ATOM 0 H THR A 46 -5.645 19.048 -15.594 1.00 20.21 H new ATOM 0 HA THR A 46 -5.220 21.069 -13.654 1.00 63.52 H new ATOM 0 HB THR A 46 -7.609 20.790 -13.201 1.00 33.11 H new ATOM 0 HG1 THR A 46 -7.398 20.105 -10.969 1.00 20.52 H new ATOM 0 HG21 THR A 46 -8.523 18.619 -12.467 1.00 2.44 H new ATOM 0 HG22 THR A 46 -7.918 18.546 -14.139 1.00 2.44 H new ATOM 0 HG23 THR A 46 -6.958 17.847 -12.814 1.00 2.44 H new ATOM 700 N ASP A 47 -4.791 17.819 -13.855 1.00 41.43 N ATOM 701 CA ASP A 47 -3.900 16.721 -13.499 1.00 43.41 C ATOM 702 C ASP A 47 -2.476 17.003 -13.968 1.00 43.22 C ATOM 703 O ASP A 47 -1.539 16.297 -13.597 1.00 72.42 O ATOM 704 CB ASP A 47 -4.401 15.411 -14.109 1.00 1.32 C ATOM 705 CG ASP A 47 -4.003 14.201 -13.287 1.00 74.10 C ATOM 706 OD1 ASP A 47 -2.797 13.881 -13.248 1.00 11.13 O ATOM 707 OD2 ASP A 47 -4.899 13.573 -12.684 1.00 22.22 O ATOM 0 H ASP A 47 -5.499 17.579 -14.549 1.00 41.43 H new ATOM 0 HA ASP A 47 -3.894 16.628 -12.413 1.00 43.41 H new ATOM 0 HB2 ASP A 47 -5.487 15.446 -14.197 1.00 1.32 H new ATOM 0 HB3 ASP A 47 -4.003 15.308 -15.118 1.00 1.32 H new ATOM 712 N GLU A 48 -2.322 18.040 -14.786 1.00 63.44 N ATOM 713 CA GLU A 48 -1.012 18.413 -15.307 1.00 61.33 C ATOM 714 C GLU A 48 -0.371 17.246 -16.053 1.00 45.12 C ATOM 715 O GLU A 48 0.849 17.185 -16.202 1.00 2.52 O ATOM 716 CB GLU A 48 -0.097 18.869 -14.169 1.00 41.30 C ATOM 717 CG GLU A 48 -0.230 20.346 -13.836 1.00 71.11 C ATOM 718 CD GLU A 48 1.077 20.960 -13.375 1.00 44.34 C ATOM 719 OE1 GLU A 48 2.085 20.821 -14.100 1.00 2.31 O ATOM 720 OE2 GLU A 48 1.093 21.579 -12.291 1.00 42.31 O ATOM 0 H GLU A 48 -3.087 18.636 -15.102 1.00 63.44 H new ATOM 0 HA GLU A 48 -1.149 19.238 -16.006 1.00 61.33 H new ATOM 0 HB2 GLU A 48 -0.320 18.283 -13.278 1.00 41.30 H new ATOM 0 HB3 GLU A 48 0.938 18.658 -14.439 1.00 41.30 H new ATOM 0 HG2 GLU A 48 -0.589 20.882 -14.715 1.00 71.11 H new ATOM 0 HG3 GLU A 48 -0.981 20.473 -13.057 1.00 71.11 H new ATOM 727 N GLY A 49 -1.203 16.320 -16.520 1.00 40.32 N ATOM 728 CA GLY A 49 -0.700 15.168 -17.244 1.00 62.41 C ATOM 729 C GLY A 49 -0.697 15.381 -18.745 1.00 10.42 C ATOM 730 O GLY A 49 0.049 14.725 -19.471 1.00 42.14 O ATOM 0 H GLY A 49 -2.217 16.347 -16.410 1.00 40.32 H new ATOM 0 HA2 GLY A 49 0.314 14.947 -16.910 1.00 62.41 H new ATOM 0 HA3 GLY A 49 -1.311 14.298 -17.005 1.00 62.41 H new ATOM 734 N VAL A 50 -1.535 16.302 -19.212 1.00 33.55 N ATOM 735 CA VAL A 50 -1.627 16.600 -20.636 1.00 32.23 C ATOM 736 C VAL A 50 -1.058 17.980 -20.946 1.00 73.31 C ATOM 737 O VAL A 50 -1.205 18.913 -20.158 1.00 41.31 O ATOM 738 CB VAL A 50 -3.085 16.534 -21.130 1.00 4.41 C ATOM 739 CG1 VAL A 50 -3.136 16.574 -22.650 1.00 4.34 C ATOM 740 CG2 VAL A 50 -3.772 15.286 -20.598 1.00 24.22 C ATOM 0 H VAL A 50 -2.160 16.854 -18.624 1.00 33.55 H new ATOM 0 HA VAL A 50 -1.040 15.843 -21.157 1.00 32.23 H new ATOM 0 HB VAL A 50 -3.619 17.405 -20.749 1.00 4.41 H new ATOM 0 HG11 VAL A 50 -4.174 16.526 -22.981 1.00 4.34 H new ATOM 0 HG12 VAL A 50 -2.684 17.500 -23.005 1.00 4.34 H new ATOM 0 HG13 VAL A 50 -2.587 15.724 -23.055 1.00 4.34 H new ATOM 0 HG21 VAL A 50 -4.801 15.256 -20.957 1.00 24.22 H new ATOM 0 HG22 VAL A 50 -3.240 14.401 -20.947 1.00 24.22 H new ATOM 0 HG23 VAL A 50 -3.768 15.305 -19.508 1.00 24.22 H new ATOM 750 N GLU A 51 -0.409 18.100 -22.100 1.00 11.41 N ATOM 751 CA GLU A 51 0.182 19.367 -22.514 1.00 3.31 C ATOM 752 C GLU A 51 -0.353 19.798 -23.877 1.00 23.13 C ATOM 753 O GLU A 51 -0.435 18.993 -24.805 1.00 40.32 O ATOM 754 CB GLU A 51 1.707 19.251 -22.566 1.00 1.01 C ATOM 755 CG GLU A 51 2.355 19.131 -21.197 1.00 44.20 C ATOM 756 CD GLU A 51 3.521 20.084 -21.018 1.00 43.12 C ATOM 757 OE1 GLU A 51 3.331 21.301 -21.226 1.00 23.41 O ATOM 758 OE2 GLU A 51 4.624 19.612 -20.670 1.00 42.42 O ATOM 0 H GLU A 51 -0.279 17.336 -22.764 1.00 11.41 H new ATOM 0 HA GLU A 51 -0.093 20.124 -21.779 1.00 3.31 H new ATOM 0 HB2 GLU A 51 1.977 18.380 -23.164 1.00 1.01 H new ATOM 0 HB3 GLU A 51 2.112 20.125 -23.075 1.00 1.01 H new ATOM 0 HG2 GLU A 51 1.609 19.327 -20.427 1.00 44.20 H new ATOM 0 HG3 GLU A 51 2.701 18.108 -21.051 1.00 44.20 H new ATOM 765 N ILE A 52 -0.715 21.071 -23.988 1.00 14.32 N ATOM 766 CA ILE A 52 -1.242 21.609 -25.236 1.00 62.01 C ATOM 767 C ILE A 52 -0.293 22.643 -25.833 1.00 12.34 C ATOM 768 O ILE A 52 0.273 23.468 -25.115 1.00 54.23 O ATOM 769 CB ILE A 52 -2.625 22.255 -25.032 1.00 20.10 C ATOM 770 CG1 ILE A 52 -3.706 21.177 -24.933 1.00 21.43 C ATOM 771 CG2 ILE A 52 -2.933 23.218 -26.169 1.00 3.13 C ATOM 772 CD1 ILE A 52 -3.616 20.345 -23.672 1.00 41.04 C ATOM 0 H ILE A 52 -0.653 21.749 -23.229 1.00 14.32 H new ATOM 0 HA ILE A 52 -1.341 20.770 -25.924 1.00 62.01 H new ATOM 0 HB ILE A 52 -2.612 22.818 -24.098 1.00 20.10 H new ATOM 0 HG12 ILE A 52 -4.686 21.652 -24.976 1.00 21.43 H new ATOM 0 HG13 ILE A 52 -3.632 20.519 -25.799 1.00 21.43 H new ATOM 0 HG21 ILE A 52 -3.914 23.666 -26.010 1.00 3.13 H new ATOM 0 HG22 ILE A 52 -2.176 24.002 -26.197 1.00 3.13 H new ATOM 0 HG23 ILE A 52 -2.930 22.677 -27.115 1.00 3.13 H new ATOM 0 HD11 ILE A 52 -4.413 19.601 -23.669 1.00 41.04 H new ATOM 0 HD12 ILE A 52 -2.650 19.842 -23.636 1.00 41.04 H new ATOM 0 HD13 ILE A 52 -3.720 20.992 -22.801 1.00 41.04 H new ATOM 784 N SER A 53 -0.125 22.594 -27.150 1.00 54.02 N ATOM 785 CA SER A 53 0.756 23.526 -27.844 1.00 23.41 C ATOM 786 C SER A 53 0.011 24.250 -28.960 1.00 53.33 C ATOM 787 O SER A 53 -0.897 23.695 -29.578 1.00 12.42 O ATOM 788 CB SER A 53 1.965 22.785 -28.420 1.00 34.55 C ATOM 789 OG SER A 53 3.165 23.199 -27.790 1.00 54.41 O ATOM 0 H SER A 53 -0.587 21.919 -27.758 1.00 54.02 H new ATOM 0 HA SER A 53 1.102 24.266 -27.122 1.00 23.41 H new ATOM 0 HB2 SER A 53 1.834 21.711 -28.289 1.00 34.55 H new ATOM 0 HB3 SER A 53 2.031 22.969 -29.492 1.00 34.55 H new ATOM 0 HG SER A 53 3.922 22.710 -28.175 1.00 54.41 H new ATOM 795 N GLY A 54 0.402 25.496 -29.213 1.00 72.35 N ATOM 796 CA GLY A 54 -0.239 26.277 -30.255 1.00 11.43 C ATOM 797 C GLY A 54 -1.337 27.172 -29.715 1.00 53.01 C ATOM 798 O GLY A 54 -1.919 27.968 -30.454 1.00 25.54 O ATOM 0 H GLY A 54 1.151 25.978 -28.715 1.00 72.35 H new ATOM 0 HA2 GLY A 54 0.509 26.889 -30.759 1.00 11.43 H new ATOM 0 HA3 GLY A 54 -0.658 25.604 -31.004 1.00 11.43 H new ATOM 802 N TYR A 55 -1.624 27.041 -28.425 1.00 2.53 N ATOM 803 CA TYR A 55 -2.663 27.842 -27.788 1.00 22.24 C ATOM 804 C TYR A 55 -2.127 29.215 -27.392 1.00 74.33 C ATOM 805 O TYR A 55 -0.991 29.343 -26.936 1.00 61.55 O ATOM 806 CB TYR A 55 -3.208 27.120 -26.554 1.00 64.11 C ATOM 807 CG TYR A 55 -2.600 27.598 -25.255 1.00 10.52 C ATOM 808 CD1 TYR A 55 -3.172 28.644 -24.541 1.00 33.23 C ATOM 809 CD2 TYR A 55 -1.454 27.004 -24.741 1.00 2.30 C ATOM 810 CE1 TYR A 55 -2.620 29.085 -23.354 1.00 30.43 C ATOM 811 CE2 TYR A 55 -0.895 27.438 -23.554 1.00 34.40 C ATOM 812 CZ TYR A 55 -1.482 28.478 -22.864 1.00 41.34 C ATOM 813 OH TYR A 55 -0.929 28.914 -21.682 1.00 34.44 O ATOM 0 H TYR A 55 -1.152 26.388 -27.800 1.00 2.53 H new ATOM 0 HA TYR A 55 -3.471 27.981 -28.506 1.00 22.24 H new ATOM 0 HB2 TYR A 55 -4.289 27.256 -26.511 1.00 64.11 H new ATOM 0 HB3 TYR A 55 -3.025 26.051 -26.659 1.00 64.11 H new ATOM 0 HD1 TYR A 55 -4.064 29.120 -24.921 1.00 33.23 H new ATOM 0 HD2 TYR A 55 -0.992 26.189 -25.278 1.00 2.30 H new ATOM 0 HE1 TYR A 55 -3.077 29.900 -22.813 1.00 30.43 H new ATOM 0 HE2 TYR A 55 -0.004 26.965 -23.169 1.00 34.40 H new ATOM 0 HH TYR A 55 -0.133 28.381 -21.477 1.00 34.44 H new ATOM 823 N ASP A 56 -2.955 30.238 -27.570 1.00 10.53 N ATOM 824 CA ASP A 56 -2.567 31.603 -27.230 1.00 73.24 C ATOM 825 C ASP A 56 -3.421 32.142 -26.087 1.00 73.01 C ATOM 826 O ASP A 56 -4.626 32.342 -26.240 1.00 41.21 O ATOM 827 CB ASP A 56 -2.698 32.512 -28.453 1.00 64.25 C ATOM 828 CG ASP A 56 -1.722 32.145 -29.554 1.00 62.22 C ATOM 829 OD1 ASP A 56 -0.675 31.540 -29.241 1.00 52.12 O ATOM 830 OD2 ASP A 56 -2.004 32.463 -30.728 1.00 53.15 O ATOM 0 H ASP A 56 -3.898 30.149 -27.947 1.00 10.53 H new ATOM 0 HA ASP A 56 -1.526 31.589 -26.907 1.00 73.24 H new ATOM 0 HB2 ASP A 56 -3.716 32.453 -28.839 1.00 64.25 H new ATOM 0 HB3 ASP A 56 -2.531 33.546 -28.153 1.00 64.25 H new ATOM 835 N ALA A 57 -2.789 32.374 -24.941 1.00 70.14 N ATOM 836 CA ALA A 57 -3.490 32.891 -23.773 1.00 35.52 C ATOM 837 C ALA A 57 -3.607 34.410 -23.830 1.00 35.10 C ATOM 838 O ALA A 57 -4.474 34.999 -23.184 1.00 24.21 O ATOM 839 CB ALA A 57 -2.779 32.462 -22.498 1.00 32.40 C ATOM 0 H ALA A 57 -1.792 32.212 -24.797 1.00 70.14 H new ATOM 0 HA ALA A 57 -4.498 32.475 -23.772 1.00 35.52 H new ATOM 0 HB1 ALA A 57 -3.314 32.855 -21.633 1.00 32.40 H new ATOM 0 HB2 ALA A 57 -2.753 31.374 -22.444 1.00 32.40 H new ATOM 0 HB3 ALA A 57 -1.760 32.849 -22.502 1.00 32.40 H new ATOM 845 N GLN A 58 -2.730 35.037 -24.606 1.00 50.53 N ATOM 846 CA GLN A 58 -2.735 36.489 -24.746 1.00 32.13 C ATOM 847 C GLN A 58 -3.551 36.916 -25.962 1.00 3.14 C ATOM 848 O GLN A 58 -3.381 38.020 -26.480 1.00 21.10 O ATOM 849 CB GLN A 58 -1.304 37.016 -24.866 1.00 32.03 C ATOM 850 CG GLN A 58 -0.898 37.937 -23.727 1.00 25.24 C ATOM 851 CD GLN A 58 0.437 38.614 -23.971 1.00 74.24 C ATOM 852 OE1 GLN A 58 0.576 39.423 -24.889 1.00 2.01 O ATOM 853 NE2 GLN A 58 1.427 38.286 -23.150 1.00 32.34 N ATOM 0 H GLN A 58 -2.007 34.563 -25.147 1.00 50.53 H new ATOM 0 HA GLN A 58 -3.197 36.913 -23.854 1.00 32.13 H new ATOM 0 HB2 GLN A 58 -0.616 36.171 -24.902 1.00 32.03 H new ATOM 0 HB3 GLN A 58 -1.201 37.551 -25.810 1.00 32.03 H new ATOM 0 HG2 GLN A 58 -1.667 38.697 -23.588 1.00 25.24 H new ATOM 0 HG3 GLN A 58 -0.846 37.363 -22.802 1.00 25.24 H new ATOM 0 HE21 GLN A 58 1.267 37.611 -22.402 1.00 32.34 H new ATOM 0 HE22 GLN A 58 2.348 38.709 -23.267 1.00 32.34 H new ATOM 862 N LYS A 59 -4.437 36.035 -26.413 1.00 24.20 N ATOM 863 CA LYS A 59 -5.280 36.320 -27.568 1.00 31.23 C ATOM 864 C LYS A 59 -6.213 35.149 -27.862 1.00 43.33 C ATOM 865 O LYS A 59 -5.796 34.136 -28.425 1.00 55.13 O ATOM 866 CB LYS A 59 -4.416 36.619 -28.795 1.00 30.41 C ATOM 867 CG LYS A 59 -4.444 38.077 -29.218 1.00 2.23 C ATOM 868 CD LYS A 59 -3.170 38.471 -29.946 1.00 63.12 C ATOM 869 CE LYS A 59 -2.173 39.133 -29.007 1.00 64.52 C ATOM 870 NZ LYS A 59 -1.043 39.758 -29.749 1.00 60.00 N ATOM 0 H LYS A 59 -4.590 35.117 -25.996 1.00 24.20 H new ATOM 0 HA LYS A 59 -5.886 37.196 -27.337 1.00 31.23 H new ATOM 0 HB2 LYS A 59 -3.386 36.331 -28.583 1.00 30.41 H new ATOM 0 HB3 LYS A 59 -4.755 36.002 -29.627 1.00 30.41 H new ATOM 0 HG2 LYS A 59 -5.303 38.252 -29.865 1.00 2.23 H new ATOM 0 HG3 LYS A 59 -4.572 38.709 -28.339 1.00 2.23 H new ATOM 0 HD2 LYS A 59 -2.717 37.586 -30.394 1.00 63.12 H new ATOM 0 HD3 LYS A 59 -3.412 39.153 -30.761 1.00 63.12 H new ATOM 0 HE2 LYS A 59 -2.682 39.892 -28.414 1.00 64.52 H new ATOM 0 HE3 LYS A 59 -1.784 38.392 -28.309 1.00 64.52 H new ATOM 0 HZ1 LYS A 59 -0.386 40.198 -29.074 1.00 60.00 H new ATOM 0 HZ2 LYS A 59 -0.541 39.029 -30.296 1.00 60.00 H new ATOM 0 HZ3 LYS A 59 -1.412 40.484 -30.396 1.00 60.00 H new ATOM 884 N THR A 60 -7.478 35.295 -27.480 1.00 4.34 N ATOM 885 CA THR A 60 -8.469 34.251 -27.703 1.00 71.20 C ATOM 886 C THR A 60 -9.342 34.571 -28.911 1.00 15.03 C ATOM 887 O THR A 60 -9.123 35.565 -29.601 1.00 53.24 O ATOM 888 CB THR A 60 -9.370 34.058 -26.469 1.00 12.33 C ATOM 889 OG1 THR A 60 -10.007 35.295 -26.129 1.00 41.22 O ATOM 890 CG2 THR A 60 -8.562 33.556 -25.282 1.00 31.41 C ATOM 0 H THR A 60 -7.840 36.127 -27.014 1.00 4.34 H new ATOM 0 HA THR A 60 -7.919 33.328 -27.889 1.00 71.20 H new ATOM 0 HB THR A 60 -10.128 33.314 -26.713 1.00 12.33 H new ATOM 0 HG1 THR A 60 -10.311 35.261 -25.198 1.00 41.22 H new ATOM 0 HG21 THR A 60 -9.220 33.427 -24.422 1.00 31.41 H new ATOM 0 HG22 THR A 60 -8.102 32.600 -25.533 1.00 31.41 H new ATOM 0 HG23 THR A 60 -7.785 34.280 -25.039 1.00 31.41 H new ATOM 898 N GLY A 61 -10.335 33.722 -29.160 1.00 22.33 N ATOM 899 CA GLY A 61 -11.227 33.933 -30.285 1.00 20.43 C ATOM 900 C GLY A 61 -11.242 32.757 -31.241 1.00 63.14 C ATOM 901 O GLY A 61 -12.306 32.248 -31.593 1.00 61.32 O ATOM 0 H GLY A 61 -10.537 32.892 -28.603 1.00 22.33 H new ATOM 0 HA2 GLY A 61 -12.237 34.110 -29.916 1.00 20.43 H new ATOM 0 HA3 GLY A 61 -10.922 34.831 -30.823 1.00 20.43 H new ATOM 905 N ARG A 62 -10.058 32.326 -31.665 1.00 20.33 N ATOM 906 CA ARG A 62 -9.939 31.204 -32.589 1.00 12.51 C ATOM 907 C ARG A 62 -8.499 30.706 -32.657 1.00 4.03 C ATOM 908 O ARG A 62 -7.863 30.760 -33.709 1.00 62.50 O ATOM 909 CB ARG A 62 -10.415 31.614 -33.984 1.00 62.52 C ATOM 910 CG ARG A 62 -10.849 30.441 -34.848 1.00 21.41 C ATOM 911 CD ARG A 62 -12.055 30.795 -35.704 1.00 0.14 C ATOM 912 NE ARG A 62 -11.697 31.663 -36.822 1.00 5.42 N ATOM 913 CZ ARG A 62 -12.551 32.032 -37.769 1.00 54.22 C ATOM 914 NH1 ARG A 62 -13.808 31.611 -37.734 1.00 20.25 N ATOM 915 NH2 ARG A 62 -12.150 32.825 -38.755 1.00 21.31 N ATOM 0 H ARG A 62 -9.168 32.737 -31.383 1.00 20.33 H new ATOM 0 HA ARG A 62 -10.568 30.393 -32.221 1.00 12.51 H new ATOM 0 HB2 ARG A 62 -11.249 32.309 -33.885 1.00 62.52 H new ATOM 0 HB3 ARG A 62 -9.612 32.150 -34.490 1.00 62.52 H new ATOM 0 HG2 ARG A 62 -10.023 30.136 -35.490 1.00 21.41 H new ATOM 0 HG3 ARG A 62 -11.090 29.589 -34.212 1.00 21.41 H new ATOM 0 HD2 ARG A 62 -12.509 29.881 -36.086 1.00 0.14 H new ATOM 0 HD3 ARG A 62 -12.805 31.290 -35.087 1.00 0.14 H new ATOM 0 HE ARG A 62 -10.738 32.005 -36.879 1.00 5.42 H new ATOM 0 HH11 ARG A 62 -14.121 31.002 -36.978 1.00 20.25 H new ATOM 0 HH12 ARG A 62 -14.462 31.896 -38.463 1.00 20.25 H new ATOM 0 HH21 ARG A 62 -11.184 33.152 -38.786 1.00 21.31 H new ATOM 0 HH22 ARG A 62 -12.808 33.107 -39.482 1.00 21.31 H new ATOM 929 N GLN A 63 -7.991 30.223 -31.527 1.00 74.43 N ATOM 930 CA GLN A 63 -6.626 29.716 -31.459 1.00 42.10 C ATOM 931 C GLN A 63 -6.608 28.192 -31.504 1.00 64.23 C ATOM 932 O GLN A 63 -7.490 27.533 -30.953 1.00 24.52 O ATOM 933 CB GLN A 63 -5.940 30.208 -30.183 1.00 40.55 C ATOM 934 CG GLN A 63 -6.257 31.655 -29.842 1.00 12.42 C ATOM 935 CD GLN A 63 -5.762 32.626 -30.896 1.00 74.11 C ATOM 936 OE1 GLN A 63 -4.661 32.476 -31.426 1.00 0.40 O ATOM 937 NE2 GLN A 63 -6.576 33.629 -31.207 1.00 22.54 N ATOM 0 H GLN A 63 -8.504 30.172 -30.647 1.00 74.43 H new ATOM 0 HA GLN A 63 -6.082 30.093 -32.325 1.00 42.10 H new ATOM 0 HB2 GLN A 63 -6.241 29.573 -29.350 1.00 40.55 H new ATOM 0 HB3 GLN A 63 -4.861 30.097 -30.294 1.00 40.55 H new ATOM 0 HG2 GLN A 63 -7.335 31.769 -29.726 1.00 12.42 H new ATOM 0 HG3 GLN A 63 -5.805 31.905 -28.882 1.00 12.42 H new ATOM 0 HE21 GLN A 63 -7.480 33.715 -30.743 1.00 22.54 H new ATOM 0 HE22 GLN A 63 -6.297 34.313 -31.910 1.00 22.54 H new ATOM 946 N THR A 64 -5.597 27.636 -32.166 1.00 0.13 N ATOM 947 CA THR A 64 -5.465 26.190 -32.285 1.00 24.35 C ATOM 948 C THR A 64 -4.836 25.590 -31.032 1.00 13.34 C ATOM 949 O THR A 64 -3.973 26.204 -30.403 1.00 41.10 O ATOM 950 CB THR A 64 -4.613 25.802 -33.508 1.00 3.10 C ATOM 951 OG1 THR A 64 -5.246 26.255 -34.709 1.00 52.35 O ATOM 952 CG2 THR A 64 -4.411 24.296 -33.572 1.00 34.41 C ATOM 0 H THR A 64 -4.858 28.166 -32.628 1.00 0.13 H new ATOM 0 HA THR A 64 -6.471 25.791 -32.411 1.00 24.35 H new ATOM 0 HB THR A 64 -3.638 26.279 -33.409 1.00 3.10 H new ATOM 0 HG1 THR A 64 -4.697 26.006 -35.482 1.00 52.35 H new ATOM 0 HG21 THR A 64 -3.806 24.047 -34.444 1.00 34.41 H new ATOM 0 HG22 THR A 64 -3.902 23.958 -32.669 1.00 34.41 H new ATOM 0 HG23 THR A 64 -5.380 23.802 -33.649 1.00 34.41 H new ATOM 960 N LEU A 65 -5.273 24.388 -30.673 1.00 55.15 N ATOM 961 CA LEU A 65 -4.753 23.704 -29.495 1.00 3.43 C ATOM 962 C LEU A 65 -4.566 22.215 -29.767 1.00 13.22 C ATOM 963 O LEU A 65 -5.500 21.526 -30.179 1.00 10.10 O ATOM 964 CB LEU A 65 -5.696 23.903 -28.307 1.00 52.31 C ATOM 965 CG LEU A 65 -5.769 25.320 -27.737 1.00 45.44 C ATOM 966 CD1 LEU A 65 -6.947 26.075 -28.332 1.00 13.31 C ATOM 967 CD2 LEU A 65 -5.869 25.280 -26.219 1.00 52.55 C ATOM 0 H LEU A 65 -5.987 23.867 -31.182 1.00 55.15 H new ATOM 0 HA LEU A 65 -3.781 24.135 -29.255 1.00 3.43 H new ATOM 0 HB2 LEU A 65 -6.699 23.603 -28.611 1.00 52.31 H new ATOM 0 HB3 LEU A 65 -5.390 23.227 -27.509 1.00 52.31 H new ATOM 0 HG LEU A 65 -4.854 25.847 -28.006 1.00 45.44 H new ATOM 0 HD11 LEU A 65 -6.983 27.081 -27.914 1.00 13.31 H new ATOM 0 HD12 LEU A 65 -6.831 26.135 -29.414 1.00 13.31 H new ATOM 0 HD13 LEU A 65 -7.873 25.551 -28.095 1.00 13.31 H new ATOM 0 HD21 LEU A 65 -5.920 26.297 -25.831 1.00 52.55 H new ATOM 0 HD22 LEU A 65 -6.767 24.735 -25.928 1.00 52.55 H new ATOM 0 HD23 LEU A 65 -4.992 24.779 -25.810 1.00 52.55 H new ATOM 979 N THR A 66 -3.354 21.723 -29.532 1.00 2.03 N ATOM 980 CA THR A 66 -3.045 20.316 -29.750 1.00 63.41 C ATOM 981 C THR A 66 -2.545 19.657 -28.469 1.00 54.12 C ATOM 982 O THR A 66 -1.416 19.893 -28.037 1.00 71.53 O ATOM 983 CB THR A 66 -1.984 20.138 -30.853 1.00 4.15 C ATOM 984 OG1 THR A 66 -1.601 21.415 -31.374 1.00 40.45 O ATOM 985 CG2 THR A 66 -2.514 19.263 -31.978 1.00 62.21 C ATOM 0 H THR A 66 -2.570 22.279 -29.190 1.00 2.03 H new ATOM 0 HA THR A 66 -3.971 19.835 -30.065 1.00 63.41 H new ATOM 0 HB THR A 66 -1.114 19.649 -30.414 1.00 4.15 H new ATOM 0 HG1 THR A 66 -0.925 21.294 -32.073 1.00 40.45 H new ATOM 0 HG21 THR A 66 -1.747 19.152 -32.745 1.00 62.21 H new ATOM 0 HG22 THR A 66 -2.777 18.282 -31.583 1.00 62.21 H new ATOM 0 HG23 THR A 66 -3.399 19.727 -32.414 1.00 62.21 H new ATOM 993 N LEU A 67 -3.392 18.831 -27.866 1.00 34.34 N ATOM 994 CA LEU A 67 -3.036 18.136 -26.633 1.00 14.41 C ATOM 995 C LEU A 67 -2.448 16.761 -26.933 1.00 12.32 C ATOM 996 O LEU A 67 -3.029 15.976 -27.683 1.00 12.03 O ATOM 997 CB LEU A 67 -4.264 17.993 -25.732 1.00 55.03 C ATOM 998 CG LEU A 67 -5.193 16.819 -26.045 1.00 23.21 C ATOM 999 CD1 LEU A 67 -4.766 15.581 -25.271 1.00 73.34 C ATOM 1000 CD2 LEU A 67 -6.636 17.180 -25.724 1.00 62.40 C ATOM 0 H LEU A 67 -4.330 18.626 -28.210 1.00 34.34 H new ATOM 0 HA LEU A 67 -2.281 18.728 -26.116 1.00 14.41 H new ATOM 0 HB2 LEU A 67 -3.924 17.896 -24.701 1.00 55.03 H new ATOM 0 HB3 LEU A 67 -4.843 18.915 -25.792 1.00 55.03 H new ATOM 0 HG LEU A 67 -5.124 16.599 -27.110 1.00 23.21 H new ATOM 0 HD11 LEU A 67 -5.438 14.755 -25.506 1.00 73.34 H new ATOM 0 HD12 LEU A 67 -3.748 15.311 -25.550 1.00 73.34 H new ATOM 0 HD13 LEU A 67 -4.806 15.789 -24.202 1.00 73.34 H new ATOM 0 HD21 LEU A 67 -7.283 16.333 -25.953 1.00 62.40 H new ATOM 0 HD22 LEU A 67 -6.723 17.427 -24.666 1.00 62.40 H new ATOM 0 HD23 LEU A 67 -6.938 18.039 -26.323 1.00 62.40 H new ATOM 1012 N HIS A 68 -1.293 16.476 -26.341 1.00 20.54 N ATOM 1013 CA HIS A 68 -0.627 15.193 -26.542 1.00 52.51 C ATOM 1014 C HIS A 68 -0.387 14.491 -25.209 1.00 73.54 C ATOM 1015 O HIS A 68 0.281 15.027 -24.325 1.00 31.50 O ATOM 1016 CB HIS A 68 0.701 15.394 -27.273 1.00 31.24 C ATOM 1017 CG HIS A 68 0.545 15.649 -28.740 1.00 73.42 C ATOM 1018 ND1 HIS A 68 1.246 14.954 -29.703 1.00 53.24 N ATOM 1019 CD2 HIS A 68 -0.240 16.527 -29.408 1.00 24.12 C ATOM 1020 CE1 HIS A 68 0.901 15.395 -30.900 1.00 13.41 C ATOM 1021 NE2 HIS A 68 0.000 16.350 -30.748 1.00 62.22 N ATOM 0 H HIS A 68 -0.799 17.115 -25.719 1.00 20.54 H new ATOM 0 HA HIS A 68 -1.277 14.565 -27.151 1.00 52.51 H new ATOM 0 HB2 HIS A 68 1.231 16.232 -26.821 1.00 31.24 H new ATOM 0 HB3 HIS A 68 1.322 14.510 -27.130 1.00 31.24 H new ATOM 0 HD2 HIS A 68 -0.927 17.235 -28.968 1.00 24.12 H new ATOM 0 HE1 HIS A 68 1.289 15.036 -31.842 1.00 13.41 H new ATOM 0 HE2 HIS A 68 -0.445 16.871 -31.504 1.00 62.22 H new ATOM 1029 N TYR A 69 -0.937 13.289 -25.073 1.00 0.14 N ATOM 1030 CA TYR A 69 -0.785 12.514 -23.847 1.00 14.33 C ATOM 1031 C TYR A 69 -0.583 11.035 -24.159 1.00 23.21 C ATOM 1032 O TYR A 69 -1.333 10.445 -24.936 1.00 40.52 O ATOM 1033 CB TYR A 69 -2.011 12.694 -22.950 1.00 14.41 C ATOM 1034 CG TYR A 69 -1.836 12.121 -21.562 1.00 5.53 C ATOM 1035 CD1 TYR A 69 -0.642 12.282 -20.869 1.00 64.30 C ATOM 1036 CD2 TYR A 69 -2.862 11.419 -20.943 1.00 54.32 C ATOM 1037 CE1 TYR A 69 -0.476 11.759 -19.601 1.00 0.42 C ATOM 1038 CE2 TYR A 69 -2.706 10.895 -19.675 1.00 32.12 C ATOM 1039 CZ TYR A 69 -1.511 11.067 -19.008 1.00 13.42 C ATOM 1040 OH TYR A 69 -1.351 10.545 -17.745 1.00 13.33 O ATOM 0 H TYR A 69 -1.492 12.831 -25.796 1.00 0.14 H new ATOM 0 HA TYR A 69 0.098 12.880 -23.323 1.00 14.33 H new ATOM 0 HB2 TYR A 69 -2.238 13.757 -22.869 1.00 14.41 H new ATOM 0 HB3 TYR A 69 -2.870 12.219 -23.424 1.00 14.41 H new ATOM 0 HD1 TYR A 69 0.170 12.825 -21.330 1.00 64.30 H new ATOM 0 HD2 TYR A 69 -3.799 11.280 -21.463 1.00 54.32 H new ATOM 0 HE1 TYR A 69 0.459 11.891 -19.077 1.00 0.42 H new ATOM 0 HE2 TYR A 69 -3.515 10.353 -19.208 1.00 32.12 H new ATOM 0 HH TYR A 69 -2.174 10.088 -17.473 1.00 13.33 H new ATOM 1050 N GLN A 70 0.437 10.442 -23.546 1.00 32.20 N ATOM 1051 CA GLN A 70 0.739 9.031 -23.758 1.00 10.20 C ATOM 1052 C GLN A 70 1.118 8.768 -25.212 1.00 12.13 C ATOM 1053 O GLN A 70 2.295 8.777 -25.568 1.00 63.21 O ATOM 1054 CB GLN A 70 -0.461 8.166 -23.367 1.00 4.43 C ATOM 1055 CG GLN A 70 -0.380 7.619 -21.951 1.00 63.50 C ATOM 1056 CD GLN A 70 0.852 6.764 -21.726 1.00 33.43 C ATOM 1057 OE1 GLN A 70 1.797 7.180 -21.055 1.00 51.44 O ATOM 1058 NE2 GLN A 70 0.847 5.559 -22.286 1.00 3.54 N ATOM 0 H GLN A 70 1.067 10.916 -22.899 1.00 32.20 H new ATOM 0 HA GLN A 70 1.588 8.768 -23.127 1.00 10.20 H new ATOM 0 HB2 GLN A 70 -1.372 8.756 -23.468 1.00 4.43 H new ATOM 0 HB3 GLN A 70 -0.541 7.333 -24.066 1.00 4.43 H new ATOM 0 HG2 GLN A 70 -0.376 8.449 -21.244 1.00 63.50 H new ATOM 0 HG3 GLN A 70 -1.271 7.027 -21.742 1.00 63.50 H new ATOM 0 HE21 GLN A 70 0.042 5.255 -22.834 1.00 3.54 H new ATOM 0 HE22 GLN A 70 1.648 4.938 -22.168 1.00 3.54 H new ATOM 1067 N GLY A 71 0.111 8.534 -26.048 1.00 33.23 N ATOM 1068 CA GLY A 71 0.359 8.271 -27.453 1.00 62.11 C ATOM 1069 C GLY A 71 -0.764 8.766 -28.343 1.00 23.11 C ATOM 1070 O GLY A 71 -0.835 8.411 -29.520 1.00 14.10 O ATOM 0 H GLY A 71 -0.872 8.522 -25.777 1.00 33.23 H new ATOM 0 HA2 GLY A 71 1.292 8.750 -27.750 1.00 62.11 H new ATOM 0 HA3 GLY A 71 0.490 7.199 -27.601 1.00 62.11 H new ATOM 1074 N HIS A 72 -1.645 9.587 -27.780 1.00 4.10 N ATOM 1075 CA HIS A 72 -2.771 10.131 -28.530 1.00 61.14 C ATOM 1076 C HIS A 72 -2.704 11.654 -28.583 1.00 11.33 C ATOM 1077 O HIS A 72 -2.196 12.294 -27.662 1.00 74.13 O ATOM 1078 CB HIS A 72 -4.092 9.688 -27.901 1.00 0.12 C ATOM 1079 CG HIS A 72 -4.411 10.395 -26.619 1.00 73.44 C ATOM 1080 ND1 HIS A 72 -4.917 11.677 -26.573 1.00 22.33 N ATOM 1081 CD2 HIS A 72 -4.296 9.990 -25.333 1.00 0.21 C ATOM 1082 CE1 HIS A 72 -5.097 12.031 -25.313 1.00 21.12 C ATOM 1083 NE2 HIS A 72 -4.728 11.025 -24.540 1.00 72.04 N ATOM 0 H HIS A 72 -1.601 9.890 -26.807 1.00 4.10 H new ATOM 0 HA HIS A 72 -2.716 9.747 -29.549 1.00 61.14 H new ATOM 0 HB2 HIS A 72 -4.900 9.860 -28.612 1.00 0.12 H new ATOM 0 HB3 HIS A 72 -4.055 8.615 -27.715 1.00 0.12 H new ATOM 0 HD1 HIS A 72 -5.120 12.260 -27.385 1.00 22.33 H new ATOM 0 HD2 HIS A 72 -3.932 9.031 -24.993 1.00 0.21 H new ATOM 0 HE1 HIS A 72 -5.481 12.981 -24.973 1.00 21.12 H new ATOM 1091 N GLU A 73 -3.219 12.228 -29.666 1.00 32.32 N ATOM 1092 CA GLU A 73 -3.216 13.676 -29.838 1.00 22.34 C ATOM 1093 C GLU A 73 -4.578 14.170 -30.317 1.00 24.01 C ATOM 1094 O GLU A 73 -5.189 13.576 -31.205 1.00 31.52 O ATOM 1095 CB GLU A 73 -2.131 14.091 -30.833 1.00 61.15 C ATOM 1096 CG GLU A 73 -2.208 13.353 -32.160 1.00 4.33 C ATOM 1097 CD GLU A 73 -1.048 12.398 -32.364 1.00 30.33 C ATOM 1098 OE1 GLU A 73 -0.805 11.560 -31.471 1.00 21.34 O ATOM 1099 OE2 GLU A 73 -0.384 12.488 -33.418 1.00 2.35 O ATOM 0 H GLU A 73 -3.643 11.712 -30.437 1.00 32.32 H new ATOM 0 HA GLU A 73 -3.004 14.131 -28.870 1.00 22.34 H new ATOM 0 HB2 GLU A 73 -2.210 15.162 -31.018 1.00 61.15 H new ATOM 0 HB3 GLU A 73 -1.153 13.915 -30.385 1.00 61.15 H new ATOM 0 HG2 GLU A 73 -3.144 12.797 -32.209 1.00 4.33 H new ATOM 0 HG3 GLU A 73 -2.225 14.078 -32.974 1.00 4.33 H new ATOM 1106 N VAL A 74 -5.047 15.262 -29.722 1.00 12.00 N ATOM 1107 CA VAL A 74 -6.336 15.837 -30.087 1.00 51.55 C ATOM 1108 C VAL A 74 -6.195 17.309 -30.462 1.00 23.50 C ATOM 1109 O VAL A 74 -5.572 18.087 -29.740 1.00 22.54 O ATOM 1110 CB VAL A 74 -7.355 15.707 -28.940 1.00 22.13 C ATOM 1111 CG1 VAL A 74 -8.744 16.111 -29.410 1.00 2.12 C ATOM 1112 CG2 VAL A 74 -7.360 14.288 -28.392 1.00 34.23 C ATOM 0 H VAL A 74 -4.554 15.766 -28.985 1.00 12.00 H new ATOM 0 HA VAL A 74 -6.698 15.278 -30.950 1.00 51.55 H new ATOM 0 HB VAL A 74 -7.060 16.382 -28.137 1.00 22.13 H new ATOM 0 HG11 VAL A 74 -9.450 16.012 -28.585 1.00 2.12 H new ATOM 0 HG12 VAL A 74 -8.726 17.146 -29.751 1.00 2.12 H new ATOM 0 HG13 VAL A 74 -9.053 15.464 -30.231 1.00 2.12 H new ATOM 0 HG21 VAL A 74 -8.086 14.213 -27.582 1.00 34.23 H new ATOM 0 HG22 VAL A 74 -7.630 13.592 -29.186 1.00 34.23 H new ATOM 0 HG23 VAL A 74 -6.368 14.040 -28.014 1.00 34.23 H new ATOM 1122 N SER A 75 -6.778 17.683 -31.596 1.00 42.41 N ATOM 1123 CA SER A 75 -6.714 19.061 -32.069 1.00 53.31 C ATOM 1124 C SER A 75 -8.087 19.724 -31.999 1.00 21.41 C ATOM 1125 O SER A 75 -9.093 19.138 -32.401 1.00 2.24 O ATOM 1126 CB SER A 75 -6.187 19.106 -33.504 1.00 44.34 C ATOM 1127 OG SER A 75 -5.559 20.347 -33.778 1.00 61.14 O ATOM 0 H SER A 75 -7.300 17.052 -32.204 1.00 42.41 H new ATOM 0 HA SER A 75 -6.031 19.610 -31.421 1.00 53.31 H new ATOM 0 HB2 SER A 75 -5.477 18.293 -33.660 1.00 44.34 H new ATOM 0 HB3 SER A 75 -7.009 18.949 -34.202 1.00 44.34 H new ATOM 0 HG SER A 75 -5.229 20.350 -34.701 1.00 61.14 H new ATOM 1133 N PHE A 76 -8.120 20.949 -31.485 1.00 71.22 N ATOM 1134 CA PHE A 76 -9.369 21.692 -31.361 1.00 24.14 C ATOM 1135 C PHE A 76 -9.114 23.196 -31.416 1.00 34.52 C ATOM 1136 O PHE A 76 -7.968 23.643 -31.390 1.00 1.51 O ATOM 1137 CB PHE A 76 -10.074 21.330 -30.052 1.00 4.24 C ATOM 1138 CG PHE A 76 -11.183 20.333 -30.224 1.00 73.02 C ATOM 1139 CD1 PHE A 76 -12.390 20.711 -30.791 1.00 32.25 C ATOM 1140 CD2 PHE A 76 -11.020 19.018 -29.821 1.00 24.33 C ATOM 1141 CE1 PHE A 76 -13.413 19.795 -30.950 1.00 12.24 C ATOM 1142 CE2 PHE A 76 -12.039 18.097 -29.978 1.00 0.43 C ATOM 1143 CZ PHE A 76 -13.237 18.487 -30.544 1.00 20.31 C ATOM 0 H PHE A 76 -7.297 21.448 -31.148 1.00 71.22 H new ATOM 0 HA PHE A 76 -10.011 21.419 -32.199 1.00 24.14 H new ATOM 0 HB2 PHE A 76 -9.341 20.928 -29.353 1.00 4.24 H new ATOM 0 HB3 PHE A 76 -10.478 22.237 -29.604 1.00 4.24 H new ATOM 0 HD1 PHE A 76 -12.533 21.732 -31.112 1.00 32.25 H new ATOM 0 HD2 PHE A 76 -10.085 18.708 -29.378 1.00 24.33 H new ATOM 0 HE1 PHE A 76 -14.349 20.102 -31.392 1.00 12.24 H new ATOM 0 HE2 PHE A 76 -11.899 17.075 -29.659 1.00 0.43 H new ATOM 0 HZ PHE A 76 -14.035 17.770 -30.669 1.00 20.31 H new ATOM 1153 N ASP A 77 -10.192 23.969 -31.493 1.00 23.13 N ATOM 1154 CA ASP A 77 -10.087 25.422 -31.551 1.00 42.33 C ATOM 1155 C ASP A 77 -10.706 26.062 -30.313 1.00 14.22 C ATOM 1156 O ASP A 77 -11.622 25.506 -29.706 1.00 54.54 O ATOM 1157 CB ASP A 77 -10.771 25.954 -32.812 1.00 31.13 C ATOM 1158 CG ASP A 77 -12.147 25.353 -33.021 1.00 12.14 C ATOM 1159 OD1 ASP A 77 -12.816 25.039 -32.014 1.00 61.21 O ATOM 1160 OD2 ASP A 77 -12.555 25.196 -34.191 1.00 12.43 O ATOM 0 H ASP A 77 -11.148 23.614 -31.517 1.00 23.13 H new ATOM 0 HA ASP A 77 -9.029 25.684 -31.582 1.00 42.33 H new ATOM 0 HB2 ASP A 77 -10.858 27.038 -32.745 1.00 31.13 H new ATOM 0 HB3 ASP A 77 -10.147 25.737 -33.679 1.00 31.13 H new ATOM 1165 N VAL A 78 -10.200 27.234 -29.942 1.00 25.32 N ATOM 1166 CA VAL A 78 -10.703 27.950 -28.776 1.00 21.55 C ATOM 1167 C VAL A 78 -11.278 29.305 -29.169 1.00 54.31 C ATOM 1168 O VAL A 78 -10.702 30.023 -29.987 1.00 42.22 O ATOM 1169 CB VAL A 78 -9.596 28.159 -27.725 1.00 52.30 C ATOM 1170 CG1 VAL A 78 -8.537 29.117 -28.249 1.00 63.31 C ATOM 1171 CG2 VAL A 78 -10.190 28.670 -26.421 1.00 0.20 C ATOM 0 H VAL A 78 -9.442 27.708 -30.433 1.00 25.32 H new ATOM 0 HA VAL A 78 -11.493 27.336 -28.344 1.00 21.55 H new ATOM 0 HB VAL A 78 -9.119 27.199 -27.529 1.00 52.30 H new ATOM 0 HG11 VAL A 78 -7.763 29.253 -27.493 1.00 63.31 H new ATOM 0 HG12 VAL A 78 -8.091 28.706 -29.155 1.00 63.31 H new ATOM 0 HG13 VAL A 78 -8.997 30.079 -28.475 1.00 63.31 H new ATOM 0 HG21 VAL A 78 -9.394 28.812 -25.690 1.00 0.20 H new ATOM 0 HG22 VAL A 78 -10.694 29.620 -26.598 1.00 0.20 H new ATOM 0 HG23 VAL A 78 -10.908 27.944 -26.039 1.00 0.20 H new ATOM 1181 N LEU A 79 -12.419 29.651 -28.581 1.00 64.34 N ATOM 1182 CA LEU A 79 -13.073 30.922 -28.870 1.00 35.02 C ATOM 1183 C LEU A 79 -13.695 31.513 -27.608 1.00 61.13 C ATOM 1184 O LEU A 79 -14.352 30.811 -26.840 1.00 30.23 O ATOM 1185 CB LEU A 79 -14.149 30.733 -29.941 1.00 63.22 C ATOM 1186 CG LEU A 79 -13.785 29.805 -31.101 1.00 21.33 C ATOM 1187 CD1 LEU A 79 -14.129 28.363 -30.759 1.00 12.31 C ATOM 1188 CD2 LEU A 79 -14.497 30.238 -32.374 1.00 30.51 C ATOM 0 H LEU A 79 -12.909 29.069 -27.902 1.00 64.34 H new ATOM 0 HA LEU A 79 -12.318 31.615 -29.241 1.00 35.02 H new ATOM 0 HB2 LEU A 79 -15.048 30.346 -29.461 1.00 63.22 H new ATOM 0 HB3 LEU A 79 -14.402 31.711 -30.350 1.00 63.22 H new ATOM 0 HG LEU A 79 -12.710 29.870 -31.270 1.00 21.33 H new ATOM 0 HD11 LEU A 79 -13.863 27.717 -31.596 1.00 12.31 H new ATOM 0 HD12 LEU A 79 -13.573 28.057 -29.873 1.00 12.31 H new ATOM 0 HD13 LEU A 79 -15.198 28.281 -30.563 1.00 12.31 H new ATOM 0 HD21 LEU A 79 -14.226 29.566 -33.189 1.00 30.51 H new ATOM 0 HD22 LEU A 79 -15.575 30.203 -32.218 1.00 30.51 H new ATOM 0 HD23 LEU A 79 -14.200 31.255 -32.629 1.00 30.51 H new ATOM 1200 N VAL A 80 -13.484 32.809 -27.402 1.00 52.13 N ATOM 1201 CA VAL A 80 -14.026 33.496 -26.236 1.00 33.10 C ATOM 1202 C VAL A 80 -15.324 34.219 -26.578 1.00 42.51 C ATOM 1203 O VAL A 80 -15.427 34.874 -27.616 1.00 23.14 O ATOM 1204 CB VAL A 80 -13.020 34.512 -25.665 1.00 3.30 C ATOM 1205 CG1 VAL A 80 -12.826 35.672 -26.630 1.00 15.33 C ATOM 1206 CG2 VAL A 80 -13.481 35.011 -24.304 1.00 0.21 C ATOM 0 H VAL A 80 -12.941 33.404 -28.028 1.00 52.13 H new ATOM 0 HA VAL A 80 -14.226 32.733 -25.484 1.00 33.10 H new ATOM 0 HB VAL A 80 -12.059 34.013 -25.537 1.00 3.30 H new ATOM 0 HG11 VAL A 80 -12.112 36.380 -26.209 1.00 15.33 H new ATOM 0 HG12 VAL A 80 -12.447 35.295 -27.580 1.00 15.33 H new ATOM 0 HG13 VAL A 80 -13.780 36.173 -26.793 1.00 15.33 H new ATOM 0 HG21 VAL A 80 -12.758 35.728 -23.915 1.00 0.21 H new ATOM 0 HG22 VAL A 80 -14.453 35.494 -24.404 1.00 0.21 H new ATOM 0 HG23 VAL A 80 -13.563 34.169 -23.616 1.00 0.21 H new ATOM 1216 N SER A 81 -16.313 34.098 -25.698 1.00 63.54 N ATOM 1217 CA SER A 81 -17.606 34.737 -25.909 1.00 11.45 C ATOM 1218 C SER A 81 -17.841 35.839 -24.880 1.00 4.24 C ATOM 1219 O SER A 81 -17.211 35.881 -23.822 1.00 42.05 O ATOM 1220 CB SER A 81 -18.730 33.702 -25.829 1.00 42.33 C ATOM 1221 OG SER A 81 -18.328 32.570 -25.078 1.00 70.22 O ATOM 0 H SER A 81 -16.243 33.563 -24.832 1.00 63.54 H new ATOM 0 HA SER A 81 -17.604 35.185 -26.903 1.00 11.45 H new ATOM 0 HB2 SER A 81 -19.611 34.152 -25.371 1.00 42.33 H new ATOM 0 HB3 SER A 81 -19.016 33.393 -26.834 1.00 42.33 H new ATOM 0 HG SER A 81 -18.997 31.860 -25.172 1.00 70.22 H new ATOM 1227 N PRO A 82 -18.769 36.754 -25.195 1.00 13.10 N ATOM 1228 CA PRO A 82 -19.110 37.873 -24.312 1.00 1.43 C ATOM 1229 C PRO A 82 -19.844 37.418 -23.056 1.00 35.25 C ATOM 1230 O PRO A 82 -21.025 37.073 -23.105 1.00 33.23 O ATOM 1231 CB PRO A 82 -20.023 38.744 -25.179 1.00 4.44 C ATOM 1232 CG PRO A 82 -20.614 37.803 -26.170 1.00 53.11 C ATOM 1233 CD PRO A 82 -19.559 36.766 -26.438 1.00 2.21 C ATOM 0 HA PRO A 82 -18.222 38.391 -23.950 1.00 1.43 H new ATOM 0 HB2 PRO A 82 -20.796 39.225 -24.580 1.00 4.44 H new ATOM 0 HB3 PRO A 82 -19.462 39.537 -25.672 1.00 4.44 H new ATOM 0 HG2 PRO A 82 -21.522 37.344 -25.779 1.00 53.11 H new ATOM 0 HG3 PRO A 82 -20.890 38.324 -27.086 1.00 53.11 H new ATOM 0 HD2 PRO A 82 -19.998 35.790 -26.644 1.00 2.21 H new ATOM 0 HD3 PRO A 82 -18.947 37.029 -27.301 1.00 2.21 H new ATOM 1241 N LYS A 83 -19.139 37.419 -21.930 1.00 23.02 N ATOM 1242 CA LYS A 83 -19.723 37.008 -20.659 1.00 75.40 C ATOM 1243 C LYS A 83 -20.397 35.645 -20.786 1.00 25.42 C ATOM 1244 O LYS A 83 -21.425 35.389 -20.160 1.00 2.22 O ATOM 1245 CB LYS A 83 -20.739 38.047 -20.181 1.00 55.52 C ATOM 1246 CG LYS A 83 -20.142 39.427 -19.967 1.00 13.43 C ATOM 1247 CD LYS A 83 -19.383 39.508 -18.653 1.00 41.40 C ATOM 1248 CE LYS A 83 -20.238 40.115 -17.551 1.00 52.44 C ATOM 1249 NZ LYS A 83 -20.503 41.562 -17.788 1.00 31.50 N ATOM 0 H LYS A 83 -18.160 37.701 -21.872 1.00 23.02 H new ATOM 0 HA LYS A 83 -18.919 36.931 -19.927 1.00 75.40 H new ATOM 0 HB2 LYS A 83 -21.545 38.118 -20.912 1.00 55.52 H new ATOM 0 HB3 LYS A 83 -21.185 37.704 -19.247 1.00 55.52 H new ATOM 0 HG2 LYS A 83 -19.470 39.666 -20.792 1.00 13.43 H new ATOM 0 HG3 LYS A 83 -20.936 40.174 -19.976 1.00 13.43 H new ATOM 0 HD2 LYS A 83 -19.060 38.510 -18.356 1.00 41.40 H new ATOM 0 HD3 LYS A 83 -18.483 40.107 -18.788 1.00 41.40 H new ATOM 0 HE2 LYS A 83 -21.184 39.578 -17.488 1.00 52.44 H new ATOM 0 HE3 LYS A 83 -19.736 39.990 -16.591 1.00 52.44 H new ATOM 0 HZ1 LYS A 83 -20.747 42.022 -16.888 1.00 31.50 H new ATOM 0 HZ2 LYS A 83 -19.653 42.010 -18.187 1.00 31.50 H new ATOM 0 HZ3 LYS A 83 -21.294 41.665 -18.455 1.00 31.50 H new ATOM 1263 N ALA A 84 -19.809 34.773 -21.599 1.00 23.35 N ATOM 1264 CA ALA A 84 -20.350 33.435 -21.804 1.00 21.00 C ATOM 1265 C ALA A 84 -19.312 32.367 -21.476 1.00 72.34 C ATOM 1266 O ALA A 84 -18.157 32.463 -21.889 1.00 70.25 O ATOM 1267 CB ALA A 84 -20.838 33.278 -23.236 1.00 73.53 C ATOM 0 H ALA A 84 -18.958 34.969 -22.126 1.00 23.35 H new ATOM 0 HA ALA A 84 -21.194 33.303 -21.127 1.00 21.00 H new ATOM 0 HB1 ALA A 84 -21.240 32.274 -23.376 1.00 73.53 H new ATOM 0 HB2 ALA A 84 -21.618 34.012 -23.437 1.00 73.53 H new ATOM 0 HB3 ALA A 84 -20.006 33.435 -23.923 1.00 73.53 H new ATOM 1273 N ALA A 85 -19.732 31.350 -20.731 1.00 61.40 N ATOM 1274 CA ALA A 85 -18.839 30.263 -20.349 1.00 62.33 C ATOM 1275 C ALA A 85 -19.626 29.049 -19.867 1.00 70.00 C ATOM 1276 O ALA A 85 -20.858 29.053 -19.873 1.00 62.41 O ATOM 1277 CB ALA A 85 -17.871 30.729 -19.272 1.00 30.33 C ATOM 0 H ALA A 85 -20.685 31.256 -20.380 1.00 61.40 H new ATOM 0 HA ALA A 85 -18.270 29.967 -21.230 1.00 62.33 H new ATOM 0 HB1 ALA A 85 -17.210 29.907 -18.996 1.00 30.33 H new ATOM 0 HB2 ALA A 85 -17.277 31.560 -19.652 1.00 30.33 H new ATOM 0 HB3 ALA A 85 -18.431 31.054 -18.395 1.00 30.33 H new ATOM 1283 N LEU A 86 -18.908 28.012 -19.451 1.00 33.35 N ATOM 1284 CA LEU A 86 -19.540 26.790 -18.965 1.00 71.41 C ATOM 1285 C LEU A 86 -18.521 25.886 -18.278 1.00 74.33 C ATOM 1286 O LEU A 86 -17.778 25.160 -18.937 1.00 23.14 O ATOM 1287 CB LEU A 86 -20.205 26.041 -20.122 1.00 44.41 C ATOM 1288 CG LEU A 86 -21.610 25.501 -19.853 1.00 44.23 C ATOM 1289 CD1 LEU A 86 -22.269 25.060 -21.151 1.00 12.24 C ATOM 1290 CD2 LEU A 86 -21.557 24.349 -18.861 1.00 31.21 C ATOM 0 H LEU A 86 -17.888 27.992 -19.440 1.00 33.35 H new ATOM 0 HA LEU A 86 -20.301 27.069 -18.236 1.00 71.41 H new ATOM 0 HB2 LEU A 86 -20.253 26.710 -20.981 1.00 44.41 H new ATOM 0 HB3 LEU A 86 -19.564 25.205 -20.404 1.00 44.41 H new ATOM 0 HG LEU A 86 -22.210 26.301 -19.418 1.00 44.23 H new ATOM 0 HD11 LEU A 86 -23.268 24.678 -20.940 1.00 12.24 H new ATOM 0 HD12 LEU A 86 -22.341 25.910 -21.830 1.00 12.24 H new ATOM 0 HD13 LEU A 86 -21.671 24.275 -21.614 1.00 12.24 H new ATOM 0 HD21 LEU A 86 -22.566 23.977 -18.681 1.00 31.21 H new ATOM 0 HD22 LEU A 86 -20.941 23.547 -19.268 1.00 31.21 H new ATOM 0 HD23 LEU A 86 -21.126 24.697 -17.922 1.00 31.21 H new ATOM 1302 N ASN A 87 -18.495 25.934 -16.950 1.00 54.23 N ATOM 1303 CA ASN A 87 -17.569 25.118 -16.174 1.00 10.23 C ATOM 1304 C ASN A 87 -18.293 23.944 -15.522 1.00 13.44 C ATOM 1305 O ASN A 87 -19.462 24.052 -15.148 1.00 45.44 O ATOM 1306 CB ASN A 87 -16.883 25.968 -15.102 1.00 14.00 C ATOM 1307 CG ASN A 87 -15.583 26.576 -15.591 1.00 12.42 C ATOM 1308 OD1 ASN A 87 -15.469 27.794 -15.732 1.00 10.13 O ATOM 1309 ND2 ASN A 87 -14.595 25.729 -15.852 1.00 70.33 N ATOM 0 H ASN A 87 -19.105 26.529 -16.389 1.00 54.23 H new ATOM 0 HA ASN A 87 -16.814 24.723 -16.854 1.00 10.23 H new ATOM 0 HB2 ASN A 87 -17.557 26.764 -14.787 1.00 14.00 H new ATOM 0 HB3 ASN A 87 -16.685 25.352 -14.225 1.00 14.00 H new ATOM 0 HD21 ASN A 87 -13.697 26.080 -16.184 1.00 70.33 H new ATOM 0 HD22 ASN A 87 -14.734 24.727 -15.721 1.00 70.33 H new ATOM 1316 N ASP A 88 -17.592 22.824 -15.387 1.00 44.53 N ATOM 1317 CA ASP A 88 -18.166 21.630 -14.779 1.00 14.44 C ATOM 1318 C ASP A 88 -17.515 21.340 -13.430 1.00 45.23 C ATOM 1319 O ASP A 88 -16.689 22.116 -12.950 1.00 61.02 O ATOM 1320 CB ASP A 88 -18.001 20.428 -15.709 1.00 24.42 C ATOM 1321 CG ASP A 88 -16.583 19.891 -15.714 1.00 43.12 C ATOM 1322 OD1 ASP A 88 -15.639 20.707 -15.777 1.00 53.34 O ATOM 1323 OD2 ASP A 88 -16.416 18.655 -15.654 1.00 53.14 O ATOM 0 H ASP A 88 -16.624 22.718 -15.691 1.00 44.53 H new ATOM 0 HA ASP A 88 -19.229 21.810 -14.617 1.00 14.44 H new ATOM 0 HB2 ASP A 88 -18.685 19.637 -15.401 1.00 24.42 H new ATOM 0 HB3 ASP A 88 -18.281 20.715 -16.722 1.00 24.42 H new ATOM 1328 N GLU A 89 -17.892 20.219 -12.825 1.00 75.51 N ATOM 1329 CA GLU A 89 -17.345 19.828 -11.531 1.00 74.21 C ATOM 1330 C GLU A 89 -17.646 20.885 -10.472 1.00 23.40 C ATOM 1331 O GLU A 89 -16.919 21.014 -9.487 1.00 54.12 O ATOM 1332 CB GLU A 89 -15.834 19.610 -11.636 1.00 15.10 C ATOM 1333 CG GLU A 89 -15.368 18.288 -11.050 1.00 1.21 C ATOM 1334 CD GLU A 89 -13.868 18.244 -10.831 1.00 70.02 C ATOM 1335 OE1 GLU A 89 -13.296 19.281 -10.435 1.00 11.20 O ATOM 1336 OE2 GLU A 89 -13.266 17.173 -11.056 1.00 53.34 O ATOM 0 H GLU A 89 -18.574 19.565 -13.210 1.00 75.51 H new ATOM 0 HA GLU A 89 -17.819 18.893 -11.232 1.00 74.21 H new ATOM 0 HB2 GLU A 89 -15.541 19.656 -12.685 1.00 15.10 H new ATOM 0 HB3 GLU A 89 -15.321 20.425 -11.125 1.00 15.10 H new ATOM 0 HG2 GLU A 89 -15.875 18.117 -10.101 1.00 1.21 H new ATOM 0 HG3 GLU A 89 -15.658 17.477 -11.717 1.00 1.21 H new TER 1343 GLU A 89