USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 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 51 SER OG : rot -7:sc= 0.8 USER MOD Set 1.2: A 55 ASN : amide:sc= -1.29 K(o=-0.49,f=-2.1!) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= -0.576 F(o=-7.9!,f=-0.94) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -178:sc= -0.368 (180deg=-0.332) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 74:sc= 0.894 USER MOD Single : A 15 MET CE :methyl -159:sc= -0.665 (180deg=-1.16) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.528 F(o=-2,f=-0.53) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -175:sc= -0.437 USER MOD Single : A 32 GLN : amide:sc= -0.0057 X(o=-0.0057,f=0) USER MOD Single : A 35 MET CE :methyl -166:sc= 0 (180deg=-0.362) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.42 K(o=-0.42,f=-5.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.27) USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00261 F(o=-1.2,f=-0.0026) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0176 F(o=-1.7!,f=-0.018) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.5!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 1.53 (180deg=-0.614) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.459 13.977 1.436 1.00 0.59 N ATOM 78 CA PRO A 5 -11.257 14.449 2.183 1.00 0.58 C ATOM 79 C PRO A 5 -10.108 14.836 1.238 1.00 0.56 C ATOM 80 O PRO A 5 -10.074 14.414 0.099 1.00 0.67 O ATOM 81 CB PRO A 5 -10.881 13.238 3.039 1.00 0.62 C ATOM 82 CG PRO A 5 -11.303 12.072 2.212 1.00 0.73 C ATOM 83 CD PRO A 5 -12.593 12.509 1.515 1.00 0.58 C ATOM 0 HA PRO A 5 -11.454 15.348 2.767 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.812 13.213 3.249 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.394 13.253 4.000 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.535 11.808 1.485 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.471 11.192 2.832 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.687 12.060 0.526 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.476 12.216 2.083 1.00 0.58 H new ATOM 91 N PRO A 6 -9.174 15.628 1.701 1.00 0.55 N ATOM 92 CA PRO A 6 -8.011 16.065 0.874 1.00 0.57 C ATOM 93 C PRO A 6 -6.950 14.967 0.726 1.00 0.51 C ATOM 94 O PRO A 6 -5.992 15.119 -0.006 1.00 0.70 O ATOM 95 CB PRO A 6 -7.455 17.257 1.660 1.00 0.67 C ATOM 96 CG PRO A 6 -7.771 16.939 3.084 1.00 0.84 C ATOM 97 CD PRO A 6 -9.113 16.200 3.060 1.00 0.68 C ATOM 0 HA PRO A 6 -8.301 16.308 -0.148 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.382 17.369 1.506 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -7.921 18.192 1.348 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -6.992 16.320 3.528 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -7.836 17.848 3.682 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.156 15.423 3.824 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -9.946 16.877 3.247 1.00 0.68 H new ATOM 105 N TYR A 7 -7.101 13.866 1.413 1.00 0.42 N ATOM 106 CA TYR A 7 -6.086 12.781 1.296 1.00 0.36 C ATOM 107 C TYR A 7 -6.140 12.201 -0.118 1.00 0.34 C ATOM 108 O TYR A 7 -7.195 11.880 -0.629 1.00 0.36 O ATOM 109 CB TYR A 7 -6.388 11.668 2.306 1.00 0.34 C ATOM 110 CG TYR A 7 -6.633 12.268 3.675 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.668 13.093 4.271 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.838 12.012 4.342 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.909 13.654 5.532 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.079 12.575 5.600 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.115 13.396 6.196 1.00 0.47 C ATOM 116 OH TYR A 7 -7.353 13.952 7.436 1.00 0.54 O ATOM 0 H TYR A 7 -7.878 13.672 2.045 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.096 13.190 1.499 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.262 11.102 1.986 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.553 10.968 2.350 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.739 13.296 3.758 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.583 11.378 3.884 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.164 14.286 5.993 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.009 12.376 6.111 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.236 13.673 7.755 1.00 0.54 H new ATOM 126 N SER A 8 -5.011 12.057 -0.752 1.00 0.35 N ATOM 127 CA SER A 8 -5.002 11.492 -2.129 1.00 0.38 C ATOM 128 C SER A 8 -5.311 9.998 -2.053 1.00 0.32 C ATOM 129 O SER A 8 -5.214 9.389 -1.005 1.00 0.30 O ATOM 130 CB SER A 8 -3.625 11.698 -2.761 1.00 0.46 C ATOM 131 OG SER A 8 -3.677 11.318 -4.130 1.00 1.39 O ATOM 0 H SER A 8 -4.096 12.306 -0.377 1.00 0.35 H new ATOM 0 HA SER A 8 -5.753 11.995 -2.738 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.323 12.742 -2.672 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.878 11.104 -2.235 1.00 0.46 H new ATOM 0 HG SER A 8 -2.797 11.450 -4.540 1.00 1.39 H new ATOM 137 N TYR A 9 -5.680 9.397 -3.150 1.00 0.34 N ATOM 138 CA TYR A 9 -5.987 7.941 -3.122 1.00 0.34 C ATOM 139 C TYR A 9 -4.737 7.189 -2.667 1.00 0.35 C ATOM 140 O TYR A 9 -4.814 6.187 -1.985 1.00 0.36 O ATOM 141 CB TYR A 9 -6.402 7.478 -4.520 1.00 0.39 C ATOM 142 CG TYR A 9 -7.752 8.067 -4.850 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.916 7.448 -4.382 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.841 9.233 -5.620 1.00 1.32 C ATOM 145 CE1 TYR A 9 -10.169 7.993 -4.681 1.00 1.23 C ATOM 146 CE2 TYR A 9 -9.095 9.778 -5.921 1.00 1.32 C ATOM 147 CZ TYR A 9 -10.259 9.159 -5.451 1.00 0.44 C ATOM 148 OH TYR A 9 -11.495 9.698 -5.745 1.00 0.50 O ATOM 0 H TYR A 9 -5.782 9.848 -4.059 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.806 7.741 -2.431 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.663 7.794 -5.256 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.446 6.390 -4.559 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.847 6.548 -3.789 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.943 9.712 -5.982 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -11.067 7.515 -4.318 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -9.164 10.677 -6.516 1.00 1.32 H new ATOM 0 HH TYR A 9 -11.379 10.506 -6.287 1.00 0.50 H new ATOM 158 N ILE A 10 -3.582 7.677 -3.028 1.00 0.38 N ATOM 159 CA ILE A 10 -2.324 7.003 -2.604 1.00 0.42 C ATOM 160 C ILE A 10 -2.167 7.180 -1.091 1.00 0.38 C ATOM 161 O ILE A 10 -1.758 6.279 -0.386 1.00 0.39 O ATOM 162 CB ILE A 10 -1.133 7.663 -3.308 1.00 0.50 C ATOM 163 CG1 ILE A 10 -1.306 7.585 -4.832 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.161 6.953 -2.901 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.553 6.143 -5.284 1.00 0.96 C ATOM 0 H ILE A 10 -3.456 8.513 -3.598 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.361 5.945 -2.862 1.00 0.42 H new ATOM 0 HB ILE A 10 -1.084 8.711 -3.012 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -2.141 8.214 -5.139 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -0.415 7.976 -5.323 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.007 7.423 -3.402 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.292 7.026 -1.821 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.106 5.903 -3.189 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.672 6.117 -6.367 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.705 5.521 -4.997 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -2.458 5.763 -4.810 1.00 0.96 H new ATOM 177 N ALA A 11 -2.490 8.343 -0.591 1.00 0.36 N ATOM 178 CA ALA A 11 -2.362 8.601 0.872 1.00 0.36 C ATOM 179 C ALA A 11 -3.343 7.721 1.649 1.00 0.32 C ATOM 180 O ALA A 11 -3.004 7.145 2.663 1.00 0.32 O ATOM 181 CB ALA A 11 -2.674 10.073 1.152 1.00 0.38 C ATOM 0 H ALA A 11 -2.839 9.130 -1.138 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.346 8.368 1.189 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.582 10.268 2.221 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.972 10.704 0.607 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.690 10.297 0.829 1.00 0.38 H new ATOM 187 N LEU A 12 -4.556 7.605 1.182 1.00 0.32 N ATOM 188 CA LEU A 12 -5.545 6.757 1.901 1.00 0.31 C ATOM 189 C LEU A 12 -5.007 5.328 1.952 1.00 0.30 C ATOM 190 O LEU A 12 -5.115 4.646 2.952 1.00 0.32 O ATOM 191 CB LEU A 12 -6.881 6.787 1.152 1.00 0.33 C ATOM 192 CG LEU A 12 -7.523 8.176 1.275 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.696 8.273 0.295 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.037 8.413 2.707 1.00 0.36 C ATOM 0 H LEU A 12 -4.903 8.059 0.337 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.701 7.130 2.913 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.724 6.542 0.102 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.552 6.030 1.559 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.773 8.933 1.044 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.158 9.257 0.376 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.333 8.125 -0.722 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.433 7.506 0.533 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.488 9.403 2.772 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.782 7.657 2.956 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.205 8.346 3.408 1.00 0.36 H new ATOM 206 N ILE A 13 -4.411 4.877 0.884 1.00 0.31 N ATOM 207 CA ILE A 13 -3.843 3.502 0.869 1.00 0.32 C ATOM 208 C ILE A 13 -2.634 3.456 1.805 1.00 0.29 C ATOM 209 O ILE A 13 -2.426 2.498 2.519 1.00 0.30 O ATOM 210 CB ILE A 13 -3.398 3.159 -0.555 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.629 3.041 -1.458 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.630 1.833 -0.558 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.194 2.947 -2.923 1.00 0.49 C ATOM 0 H ILE A 13 -4.293 5.404 0.019 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.593 2.783 1.200 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.746 3.949 -0.927 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.208 2.159 -1.184 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.278 3.905 -1.317 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.317 1.596 -1.575 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.751 1.920 0.081 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.275 1.038 -0.182 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -5.075 2.863 -3.559 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.634 3.842 -3.194 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.563 2.069 -3.060 1.00 0.49 H new ATOM 225 N THR A 14 -1.831 4.485 1.800 1.00 0.29 N ATOM 226 CA THR A 14 -0.630 4.499 2.683 1.00 0.31 C ATOM 227 C THR A 14 -1.043 4.580 4.154 1.00 0.32 C ATOM 228 O THR A 14 -0.463 3.935 5.005 1.00 0.34 O ATOM 229 CB THR A 14 0.241 5.707 2.330 1.00 0.35 C ATOM 230 OG1 THR A 14 0.650 5.613 0.973 1.00 0.37 O ATOM 231 CG2 THR A 14 1.469 5.746 3.243 1.00 0.39 C ATOM 0 H THR A 14 -1.955 5.317 1.223 1.00 0.29 H new ATOM 0 HA THR A 14 -0.069 3.577 2.530 1.00 0.31 H new ATOM 0 HB THR A 14 -0.334 6.622 2.471 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.108 5.823 0.388 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.085 6.608 2.987 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.148 5.825 4.282 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.050 4.833 3.111 1.00 0.39 H new ATOM 239 N MET A 15 -2.036 5.366 4.468 1.00 0.33 N ATOM 240 CA MET A 15 -2.472 5.479 5.889 1.00 0.37 C ATOM 241 C MET A 15 -3.142 4.179 6.335 1.00 0.34 C ATOM 242 O MET A 15 -2.995 3.746 7.460 1.00 0.36 O ATOM 243 CB MET A 15 -3.451 6.644 6.047 1.00 0.44 C ATOM 244 CG MET A 15 -2.701 7.966 5.868 1.00 0.49 C ATOM 245 SD MET A 15 -3.802 9.345 6.269 1.00 0.67 S ATOM 246 CE MET A 15 -4.978 9.105 4.914 1.00 1.14 C ATOM 0 H MET A 15 -2.563 5.933 3.804 1.00 0.33 H new ATOM 0 HA MET A 15 -1.596 5.662 6.511 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.250 6.564 5.310 1.00 0.44 H new ATOM 0 HB3 MET A 15 -3.919 6.609 7.031 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.823 7.988 6.514 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.345 8.058 4.842 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.521 10.033 4.735 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.439 8.820 4.011 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.683 8.317 5.179 1.00 1.14 H new ATOM 256 N ALA A 16 -3.887 3.563 5.462 1.00 0.32 N ATOM 257 CA ALA A 16 -4.582 2.299 5.833 1.00 0.31 C ATOM 258 C ALA A 16 -3.557 1.262 6.297 1.00 0.29 C ATOM 259 O ALA A 16 -3.759 0.572 7.277 1.00 0.31 O ATOM 260 CB ALA A 16 -5.328 1.766 4.610 1.00 0.31 C ATOM 0 H ALA A 16 -4.045 3.880 4.506 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.286 2.492 6.643 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.840 0.840 4.871 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.059 2.504 4.279 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.618 1.573 3.806 1.00 0.31 H new ATOM 266 N ILE A 17 -2.459 1.146 5.604 1.00 0.27 N ATOM 267 CA ILE A 17 -1.422 0.154 6.010 1.00 0.28 C ATOM 268 C ILE A 17 -0.945 0.488 7.422 1.00 0.30 C ATOM 269 O ILE A 17 -0.842 -0.365 8.279 1.00 0.33 O ATOM 270 CB ILE A 17 -0.243 0.243 5.040 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.745 -0.069 3.633 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.828 -0.778 5.431 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.342 0.262 2.610 1.00 0.32 C ATOM 0 H ILE A 17 -2.234 1.695 4.774 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.837 -0.854 5.991 1.00 0.28 H new ATOM 0 HB ILE A 17 0.188 1.244 5.075 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.018 -1.122 3.559 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.645 0.509 3.421 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.666 -0.711 4.737 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.177 -0.570 6.442 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.405 -1.782 5.393 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.022 0.037 1.607 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.594 1.320 2.676 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.230 -0.336 2.816 1.00 0.32 H new ATOM 285 N GLN A 18 -0.647 1.734 7.659 1.00 0.32 N ATOM 286 CA GLN A 18 -0.166 2.148 9.009 1.00 0.36 C ATOM 287 C GLN A 18 -1.301 2.023 10.031 1.00 0.36 C ATOM 288 O GLN A 18 -1.095 1.613 11.156 1.00 0.38 O ATOM 289 CB GLN A 18 0.295 3.607 8.961 1.00 0.44 C ATOM 290 CG GLN A 18 1.557 3.722 8.104 1.00 0.51 C ATOM 291 CD GLN A 18 2.717 2.990 8.784 1.00 1.09 C ATOM 292 OE1 GLN A 18 3.380 2.085 8.116 1.00 1.76 O flip ATOM 293 NE2 GLN A 18 3.020 3.241 9.933 1.00 1.82 N flip ATOM 0 H GLN A 18 -0.716 2.487 6.975 1.00 0.32 H new ATOM 0 HA GLN A 18 0.662 1.503 9.302 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.495 4.234 8.548 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.495 3.969 9.970 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.376 3.297 7.117 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.813 4.771 7.958 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.502 3.948 10.454 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.793 2.745 10.377 1.00 1.82 H new ATOM 302 N ASN A 19 -2.494 2.388 9.650 1.00 0.37 N ATOM 303 CA ASN A 19 -3.646 2.308 10.595 1.00 0.42 C ATOM 304 C ASN A 19 -4.087 0.854 10.776 1.00 0.43 C ATOM 305 O ASN A 19 -4.848 0.536 11.668 1.00 0.58 O ATOM 306 CB ASN A 19 -4.811 3.132 10.041 1.00 0.51 C ATOM 307 CG ASN A 19 -4.461 4.620 10.118 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.406 5.322 9.018 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -4.230 5.148 11.187 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.723 2.740 8.720 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.340 2.704 11.563 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.014 2.848 9.009 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.718 2.930 10.611 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -4.273 4.600 12.046 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -3.993 6.139 11.226 1.00 1.28 H new ATOM 316 N ALA A 20 -3.626 -0.031 9.936 1.00 0.39 N ATOM 317 CA ALA A 20 -4.035 -1.460 10.064 1.00 0.47 C ATOM 318 C ALA A 20 -3.230 -2.129 11.186 1.00 0.53 C ATOM 319 O ALA A 20 -2.100 -1.759 11.438 1.00 0.63 O ATOM 320 CB ALA A 20 -3.752 -2.178 8.743 1.00 0.49 C ATOM 0 H ALA A 20 -2.986 0.172 9.168 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.098 -1.517 10.300 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -4.048 -3.224 8.827 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.319 -1.703 7.942 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.687 -2.119 8.518 1.00 0.49 H new ATOM 326 N PRO A 21 -3.788 -3.114 11.849 1.00 0.71 N ATOM 327 CA PRO A 21 -3.074 -3.836 12.944 1.00 0.87 C ATOM 328 C PRO A 21 -1.870 -4.597 12.385 1.00 0.80 C ATOM 329 O PRO A 21 -0.796 -4.594 12.954 1.00 1.04 O ATOM 330 CB PRO A 21 -4.132 -4.795 13.513 1.00 1.10 C ATOM 331 CG PRO A 21 -5.125 -4.976 12.409 1.00 1.29 C ATOM 332 CD PRO A 21 -5.143 -3.655 11.637 1.00 0.94 C ATOM 0 HA PRO A 21 -2.676 -3.168 13.708 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.687 -5.747 13.803 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.603 -4.379 14.403 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -4.840 -5.804 11.760 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.113 -5.209 12.807 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.352 -3.811 10.579 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.909 -2.979 12.016 1.00 0.94 H new ATOM 340 N GLU A 22 -2.048 -5.222 11.249 1.00 0.72 N ATOM 341 CA GLU A 22 -0.935 -5.966 10.589 1.00 0.83 C ATOM 342 C GLU A 22 -0.680 -5.303 9.235 1.00 0.80 C ATOM 343 O GLU A 22 -1.598 -5.013 8.495 1.00 1.16 O ATOM 344 CB GLU A 22 -1.334 -7.433 10.391 1.00 0.98 C ATOM 345 CG GLU A 22 -2.676 -7.513 9.661 1.00 1.51 C ATOM 346 CD GLU A 22 -3.150 -8.968 9.629 1.00 2.01 C ATOM 347 OE1 GLU A 22 -3.267 -9.555 10.692 1.00 2.51 O ATOM 348 OE2 GLU A 22 -3.386 -9.471 8.543 1.00 2.63 O ATOM 0 H GLU A 22 -2.933 -5.248 10.743 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.035 -5.939 11.203 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -0.567 -7.954 9.818 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -1.405 -7.933 11.357 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -3.414 -6.889 10.165 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -2.574 -7.130 8.646 1.00 1.51 H new ATOM 355 N LYS A 23 0.554 -5.032 8.916 1.00 0.66 N ATOM 356 CA LYS A 23 0.856 -4.355 7.624 1.00 0.68 C ATOM 357 C LYS A 23 0.566 -5.302 6.457 1.00 0.56 C ATOM 358 O LYS A 23 0.358 -4.874 5.339 1.00 0.59 O ATOM 359 CB LYS A 23 2.323 -3.930 7.604 1.00 0.84 C ATOM 360 CG LYS A 23 2.554 -2.886 8.700 1.00 0.96 C ATOM 361 CD LYS A 23 4.019 -2.447 8.696 1.00 0.79 C ATOM 362 CE LYS A 23 4.245 -1.416 9.804 1.00 1.23 C ATOM 363 NZ LYS A 23 3.496 -0.166 9.491 1.00 2.02 N ATOM 0 H LYS A 23 1.366 -5.250 9.493 1.00 0.66 H new ATOM 0 HA LYS A 23 0.225 -3.472 7.522 1.00 0.68 H new ATOM 0 HB2 LYS A 23 2.968 -4.794 7.765 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.582 -3.516 6.629 1.00 0.84 H new ATOM 0 HG2 LYS A 23 1.906 -2.025 8.537 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.292 -3.302 9.673 1.00 0.96 H new ATOM 0 HD2 LYS A 23 4.669 -3.309 8.848 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.279 -2.019 7.728 1.00 0.79 H new ATOM 0 HE2 LYS A 23 3.914 -1.819 10.761 1.00 1.23 H new ATOM 0 HE3 LYS A 23 5.309 -1.199 9.900 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 3.680 0.543 10.229 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.807 0.204 8.570 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 2.477 -0.372 9.455 1.00 2.02 H new ATOM 377 N LYS A 24 0.544 -6.582 6.704 1.00 0.49 N ATOM 378 CA LYS A 24 0.258 -7.543 5.601 1.00 0.43 C ATOM 379 C LYS A 24 -1.251 -7.594 5.356 1.00 0.44 C ATOM 380 O LYS A 24 -1.800 -8.619 5.002 1.00 0.75 O ATOM 381 CB LYS A 24 0.759 -8.939 5.981 1.00 0.41 C ATOM 382 CG LYS A 24 2.288 -8.955 5.986 1.00 0.45 C ATOM 383 CD LYS A 24 2.781 -10.353 6.366 1.00 0.50 C ATOM 384 CE LYS A 24 4.311 -10.374 6.372 1.00 0.59 C ATOM 385 NZ LYS A 24 4.785 -11.701 6.860 1.00 1.55 N ATOM 0 H LYS A 24 0.711 -7.004 7.618 1.00 0.49 H new ATOM 0 HA LYS A 24 0.769 -7.215 4.696 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.380 -9.217 6.964 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.380 -9.677 5.273 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.669 -8.678 5.003 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.668 -8.219 6.694 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.400 -10.629 7.349 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.400 -11.089 5.658 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.692 -10.186 5.368 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.694 -9.580 7.013 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.825 -11.718 6.865 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.431 -11.863 7.825 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.430 -12.449 6.231 1.00 1.55 H new ATOM 399 N ILE A 25 -1.927 -6.493 5.544 1.00 0.35 N ATOM 400 CA ILE A 25 -3.401 -6.472 5.324 1.00 0.34 C ATOM 401 C ILE A 25 -3.710 -6.922 3.893 1.00 0.31 C ATOM 402 O ILE A 25 -2.890 -6.804 3.004 1.00 0.33 O ATOM 403 CB ILE A 25 -3.930 -5.051 5.545 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.441 -5.024 5.307 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.244 -4.087 4.575 1.00 0.38 C ATOM 406 CD1 ILE A 25 -6.011 -3.696 5.808 1.00 0.47 C ATOM 0 H ILE A 25 -1.521 -5.606 5.841 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.885 -7.150 6.027 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.717 -4.744 6.569 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.655 -5.147 4.245 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.917 -5.856 5.826 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.623 -3.078 4.736 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.168 -4.102 4.747 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.451 -4.394 3.550 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -7.088 -3.675 5.639 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.809 -3.592 6.874 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.543 -2.873 5.268 1.00 0.47 H new ATOM 418 N THR A 26 -4.884 -7.447 3.667 1.00 0.30 N ATOM 419 CA THR A 26 -5.241 -7.918 2.298 1.00 0.31 C ATOM 420 C THR A 26 -5.655 -6.735 1.426 1.00 0.28 C ATOM 421 O THR A 26 -5.970 -5.666 1.911 1.00 0.27 O ATOM 422 CB THR A 26 -6.407 -8.906 2.389 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.522 -8.266 2.993 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.994 -10.117 3.227 1.00 0.81 C ATOM 0 H THR A 26 -5.611 -7.570 4.371 1.00 0.30 H new ATOM 0 HA THR A 26 -4.373 -8.405 1.853 1.00 0.31 H new ATOM 0 HB THR A 26 -6.677 -9.239 1.387 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.270 -8.897 3.050 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.827 -10.818 3.289 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.140 -10.608 2.760 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.720 -9.789 4.230 1.00 0.81 H new ATOM 432 N LEU A 27 -5.654 -6.924 0.136 1.00 0.31 N ATOM 433 CA LEU A 27 -6.042 -5.820 -0.783 1.00 0.34 C ATOM 434 C LEU A 27 -7.479 -5.400 -0.458 1.00 0.30 C ATOM 435 O LEU A 27 -7.769 -4.237 -0.264 1.00 0.31 O ATOM 436 CB LEU A 27 -5.961 -6.343 -2.224 1.00 0.44 C ATOM 437 CG LEU A 27 -6.348 -5.258 -3.240 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.387 -4.067 -3.123 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.254 -5.853 -4.649 1.00 0.68 C ATOM 0 H LEU A 27 -5.400 -7.799 -0.322 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.379 -4.962 -0.667 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -4.949 -6.691 -2.429 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.622 -7.202 -2.338 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.363 -4.914 -3.044 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -5.667 -3.301 -3.846 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.442 -3.653 -2.116 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.369 -4.400 -3.323 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.526 -5.095 -5.383 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.234 -6.189 -4.835 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.935 -6.700 -4.733 1.00 0.68 H new ATOM 451 N ASN A 28 -8.372 -6.350 -0.379 1.00 0.30 N ATOM 452 CA ASN A 28 -9.795 -6.033 -0.060 1.00 0.31 C ATOM 453 C ASN A 28 -9.895 -5.362 1.312 1.00 0.29 C ATOM 454 O ASN A 28 -10.666 -4.444 1.510 1.00 0.32 O ATOM 455 CB ASN A 28 -10.608 -7.330 -0.046 1.00 0.36 C ATOM 456 CG ASN A 28 -10.736 -7.868 -1.473 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.175 -8.895 -1.799 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.457 -7.214 -2.342 1.00 1.25 N ATOM 0 H ASN A 28 -8.175 -7.340 -0.523 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.186 -5.353 -0.817 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.122 -8.069 0.590 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.597 -7.147 0.375 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.550 -7.565 -3.295 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.928 -6.352 -2.068 1.00 1.25 H new ATOM 465 N GLY A 29 -9.133 -5.818 2.267 1.00 0.28 N ATOM 466 CA GLY A 29 -9.203 -5.207 3.624 1.00 0.29 C ATOM 467 C GLY A 29 -8.985 -3.698 3.513 1.00 0.28 C ATOM 468 O GLY A 29 -9.614 -2.918 4.201 1.00 0.29 O ATOM 0 H GLY A 29 -8.467 -6.584 2.167 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.172 -5.413 4.078 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.447 -5.648 4.273 1.00 0.29 H new ATOM 472 N ILE A 30 -8.099 -3.278 2.653 1.00 0.26 N ATOM 473 CA ILE A 30 -7.842 -1.819 2.500 1.00 0.27 C ATOM 474 C ILE A 30 -9.128 -1.110 2.068 1.00 0.27 C ATOM 475 O ILE A 30 -9.441 -0.036 2.540 1.00 0.29 O ATOM 476 CB ILE A 30 -6.757 -1.603 1.443 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.445 -2.223 1.930 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.557 -0.103 1.214 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.429 -2.232 0.787 1.00 0.35 C ATOM 0 H ILE A 30 -7.542 -3.883 2.049 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.510 -1.408 3.453 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.060 -2.075 0.508 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.054 -1.655 2.774 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.620 -3.239 2.283 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -5.784 0.050 0.461 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.492 0.340 0.870 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.253 0.370 2.148 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.495 -2.674 1.134 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.821 -2.819 -0.044 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.246 -1.210 0.455 1.00 0.35 H new ATOM 491 N TYR A 31 -9.873 -1.695 1.167 1.00 0.28 N ATOM 492 CA TYR A 31 -11.133 -1.036 0.706 1.00 0.30 C ATOM 493 C TYR A 31 -12.083 -0.835 1.893 1.00 0.30 C ATOM 494 O TYR A 31 -12.698 0.202 2.040 1.00 0.32 O ATOM 495 CB TYR A 31 -11.821 -1.918 -0.341 1.00 0.36 C ATOM 496 CG TYR A 31 -11.088 -1.807 -1.656 1.00 0.38 C ATOM 497 CD1 TYR A 31 -9.806 -2.345 -1.773 1.00 1.36 C ATOM 498 CD2 TYR A 31 -11.683 -1.177 -2.753 1.00 1.20 C ATOM 499 CE1 TYR A 31 -9.112 -2.258 -2.983 1.00 1.40 C ATOM 500 CE2 TYR A 31 -10.991 -1.088 -3.964 1.00 1.23 C ATOM 501 CZ TYR A 31 -9.705 -1.628 -4.080 1.00 0.58 C ATOM 502 OH TYR A 31 -9.025 -1.539 -5.276 1.00 0.72 O ATOM 0 H TYR A 31 -9.667 -2.594 0.732 1.00 0.28 H new ATOM 0 HA TYR A 31 -10.886 -0.068 0.270 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.833 -2.955 -0.006 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -12.859 -1.611 -0.465 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -9.348 -2.831 -0.924 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -12.675 -0.760 -2.665 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -8.120 -2.677 -3.070 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -11.450 -0.601 -4.812 1.00 1.23 H new ATOM 0 HH TYR A 31 -9.546 -1.003 -5.910 1.00 0.72 H new ATOM 512 N GLN A 32 -12.211 -1.825 2.732 1.00 0.31 N ATOM 513 CA GLN A 32 -13.125 -1.707 3.904 1.00 0.35 C ATOM 514 C GLN A 32 -12.682 -0.539 4.790 1.00 0.33 C ATOM 515 O GLN A 32 -13.492 0.199 5.315 1.00 0.34 O ATOM 516 CB GLN A 32 -13.093 -3.009 4.705 1.00 0.41 C ATOM 517 CG GLN A 32 -14.124 -2.940 5.832 1.00 1.25 C ATOM 518 CD GLN A 32 -14.112 -4.252 6.615 1.00 1.79 C ATOM 519 OE1 GLN A 32 -15.125 -4.912 6.734 1.00 2.35 O ATOM 520 NE2 GLN A 32 -12.998 -4.664 7.155 1.00 2.51 N ATOM 0 H GLN A 32 -11.720 -2.716 2.656 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.141 -1.522 3.556 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.308 -3.855 4.052 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.097 -3.170 5.118 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.897 -2.106 6.496 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -15.117 -2.759 5.420 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -12.147 -4.110 7.055 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -12.978 -5.540 7.677 1.00 2.51 H new ATOM 529 N PHE A 33 -11.401 -0.377 4.966 1.00 0.33 N ATOM 530 CA PHE A 33 -10.892 0.731 5.824 1.00 0.35 C ATOM 531 C PHE A 33 -11.347 2.081 5.261 1.00 0.32 C ATOM 532 O PHE A 33 -11.801 2.943 5.987 1.00 0.34 O ATOM 533 CB PHE A 33 -9.361 0.662 5.843 1.00 0.40 C ATOM 534 CG PHE A 33 -8.792 1.769 6.699 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.575 1.560 8.066 1.00 1.23 C ATOM 536 CD2 PHE A 33 -8.471 3.004 6.121 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.038 2.585 8.855 1.00 1.27 C ATOM 538 CE2 PHE A 33 -7.933 4.028 6.908 1.00 1.37 C ATOM 539 CZ PHE A 33 -7.717 3.818 8.276 1.00 0.63 C ATOM 0 H PHE A 33 -10.680 -0.967 4.551 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.284 0.630 6.836 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.039 -0.306 6.228 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -8.975 0.745 4.827 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.822 0.608 8.512 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -8.639 3.166 5.067 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -7.872 2.424 9.910 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -7.684 4.979 6.461 1.00 1.37 H new ATOM 0 HZ PHE A 33 -7.302 4.608 8.884 1.00 0.63 H new ATOM 549 N ILE A 34 -11.225 2.277 3.978 1.00 0.28 N ATOM 550 CA ILE A 34 -11.648 3.572 3.375 1.00 0.27 C ATOM 551 C ILE A 34 -13.161 3.771 3.524 1.00 0.26 C ATOM 552 O ILE A 34 -13.618 4.815 3.945 1.00 0.27 O ATOM 553 CB ILE A 34 -11.273 3.571 1.890 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.748 3.645 1.760 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.908 4.775 1.185 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.337 3.238 0.347 1.00 0.59 C ATOM 0 H ILE A 34 -10.850 1.595 3.319 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.143 4.388 3.891 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.641 2.657 1.425 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.403 4.657 1.973 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.278 2.987 2.491 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.635 4.764 0.130 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.993 4.722 1.280 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.549 5.696 1.644 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.252 3.291 0.254 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.669 2.218 0.151 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.796 3.914 -0.374 1.00 0.59 H new ATOM 568 N MET A 35 -13.944 2.794 3.157 1.00 0.27 N ATOM 569 CA MET A 35 -15.424 2.954 3.251 1.00 0.29 C ATOM 570 C MET A 35 -15.865 3.147 4.706 1.00 0.29 C ATOM 571 O MET A 35 -16.713 3.967 4.997 1.00 0.31 O ATOM 572 CB MET A 35 -16.110 1.714 2.673 1.00 0.37 C ATOM 573 CG MET A 35 -15.910 1.690 1.155 1.00 0.44 C ATOM 574 SD MET A 35 -16.856 0.327 0.427 1.00 0.69 S ATOM 575 CE MET A 35 -15.749 -1.024 0.901 1.00 0.47 C ATOM 0 H MET A 35 -13.625 1.894 2.797 1.00 0.27 H new ATOM 0 HA MET A 35 -15.710 3.839 2.682 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.694 0.812 3.121 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.173 1.727 2.912 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.231 2.638 0.723 1.00 0.44 H new ATOM 0 HG3 MET A 35 -14.852 1.575 0.921 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.011 -1.922 0.342 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.719 -0.746 0.678 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.849 -1.219 1.969 1.00 0.47 H new ATOM 585 N ASP A 36 -15.319 2.395 5.622 1.00 0.31 N ATOM 586 CA ASP A 36 -15.741 2.541 7.046 1.00 0.37 C ATOM 587 C ASP A 36 -15.253 3.870 7.634 1.00 0.38 C ATOM 588 O ASP A 36 -15.959 4.518 8.381 1.00 0.45 O ATOM 589 CB ASP A 36 -15.173 1.383 7.867 1.00 0.43 C ATOM 590 CG ASP A 36 -15.885 0.086 7.480 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.902 0.169 6.810 1.00 1.17 O ATOM 592 OD2 ASP A 36 -15.402 -0.968 7.858 1.00 1.12 O ATOM 0 H ASP A 36 -14.603 1.689 5.449 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.830 2.528 7.084 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.102 1.289 7.690 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.304 1.579 8.931 1.00 0.43 H new ATOM 597 N ARG A 37 -14.054 4.280 7.321 1.00 0.39 N ATOM 598 CA ARG A 37 -13.539 5.561 7.889 1.00 0.46 C ATOM 599 C ARG A 37 -14.288 6.743 7.270 1.00 0.45 C ATOM 600 O ARG A 37 -14.630 7.694 7.947 1.00 0.59 O ATOM 601 CB ARG A 37 -12.047 5.687 7.573 1.00 0.53 C ATOM 602 CG ARG A 37 -11.251 4.606 8.317 1.00 1.16 C ATOM 603 CD ARG A 37 -11.014 5.009 9.779 1.00 1.28 C ATOM 604 NE ARG A 37 -10.083 4.030 10.408 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.473 4.328 11.522 1.00 2.16 C ATOM 606 NH1 ARG A 37 -9.656 5.496 12.078 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.673 3.459 12.076 1.00 3.00 N ATOM 0 H ARG A 37 -13.411 3.788 6.701 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.692 5.565 8.968 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.887 5.592 6.499 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.689 6.675 7.862 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.791 3.660 8.279 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.294 4.446 7.820 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.594 6.014 9.829 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -11.959 5.031 10.321 1.00 1.28 H new ATOM 0 HE ARG A 37 -9.922 3.125 9.966 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.277 6.177 11.641 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -9.178 5.727 12.949 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.526 2.550 11.638 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.195 3.689 12.947 1.00 3.00 H new ATOM 621 N PHE A 38 -14.552 6.681 5.991 1.00 0.40 N ATOM 622 CA PHE A 38 -15.288 7.784 5.298 1.00 0.41 C ATOM 623 C PHE A 38 -16.577 7.192 4.698 1.00 0.39 C ATOM 624 O PHE A 38 -16.506 6.313 3.861 1.00 0.51 O ATOM 625 CB PHE A 38 -14.406 8.354 4.180 1.00 0.43 C ATOM 626 CG PHE A 38 -13.092 8.822 4.761 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.968 10.121 5.268 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.995 7.953 4.788 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.746 10.551 5.801 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.773 8.383 5.319 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.649 9.682 5.826 1.00 0.82 C ATOM 0 H PHE A 38 -14.286 5.903 5.388 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.533 8.584 5.997 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.229 7.594 3.419 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.914 9.184 3.689 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.814 10.792 5.248 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -12.091 6.950 4.399 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.650 11.553 6.193 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.926 7.713 5.337 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.707 10.014 6.236 1.00 0.82 H new ATOM 641 N PRO A 39 -17.747 7.627 5.115 1.00 0.53 N ATOM 642 CA PRO A 39 -19.029 7.066 4.591 1.00 0.55 C ATOM 643 C PRO A 39 -19.382 7.610 3.203 1.00 0.47 C ATOM 644 O PRO A 39 -20.295 7.136 2.556 1.00 0.47 O ATOM 645 CB PRO A 39 -20.059 7.506 5.634 1.00 0.70 C ATOM 646 CG PRO A 39 -19.528 8.796 6.169 1.00 1.21 C ATOM 647 CD PRO A 39 -17.999 8.686 6.114 1.00 0.88 C ATOM 0 HA PRO A 39 -18.981 5.985 4.457 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -21.044 7.638 5.187 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.165 6.763 6.424 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.879 9.638 5.573 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.870 8.964 7.190 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.542 9.630 5.817 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.583 8.423 7.087 1.00 0.88 H new ATOM 655 N PHE A 40 -18.669 8.596 2.743 1.00 0.44 N ATOM 656 CA PHE A 40 -18.965 9.165 1.399 1.00 0.42 C ATOM 657 C PHE A 40 -18.811 8.062 0.345 1.00 0.34 C ATOM 658 O PHE A 40 -19.568 7.976 -0.600 1.00 0.36 O ATOM 659 CB PHE A 40 -17.985 10.311 1.101 1.00 0.48 C ATOM 660 CG PHE A 40 -17.617 11.017 2.387 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.593 11.269 3.360 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.294 11.421 2.605 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.246 11.923 4.549 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.947 12.076 3.793 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.923 12.326 4.765 1.00 3.74 C ATOM 0 H PHE A 40 -17.893 9.034 3.239 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.984 9.552 1.376 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.088 9.919 0.621 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.437 11.017 0.404 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.614 10.959 3.193 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.540 11.227 1.856 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.999 12.116 5.299 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.927 12.388 3.959 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.655 12.830 5.682 1.00 3.74 H new ATOM 675 N TYR A 41 -17.817 7.231 0.502 1.00 0.27 N ATOM 676 CA TYR A 41 -17.573 6.138 -0.482 1.00 0.25 C ATOM 677 C TYR A 41 -18.667 5.074 -0.385 1.00 0.29 C ATOM 678 O TYR A 41 -18.959 4.390 -1.346 1.00 0.35 O ATOM 679 CB TYR A 41 -16.207 5.523 -0.198 1.00 0.23 C ATOM 680 CG TYR A 41 -15.169 6.585 -0.448 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.887 7.515 0.553 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.517 6.659 -1.683 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.943 8.522 0.330 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.574 7.667 -1.914 1.00 1.05 C ATOM 685 CZ TYR A 41 -13.285 8.599 -0.906 1.00 0.34 C ATOM 686 OH TYR A 41 -12.356 9.596 -1.132 1.00 0.40 O ATOM 0 H TYR A 41 -17.156 7.263 1.279 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.592 6.545 -1.493 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.153 5.169 0.832 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -16.034 4.660 -0.841 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.399 7.457 1.502 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.741 5.940 -2.457 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.721 9.238 1.107 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -13.069 7.727 -2.867 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.993 9.506 -2.038 1.00 0.40 H new ATOM 696 N ARG A 42 -19.286 4.929 0.754 1.00 0.33 N ATOM 697 CA ARG A 42 -20.365 3.909 0.875 1.00 0.42 C ATOM 698 C ARG A 42 -21.469 4.239 -0.128 1.00 0.44 C ATOM 699 O ARG A 42 -22.108 3.361 -0.674 1.00 0.53 O ATOM 700 CB ARG A 42 -20.932 3.909 2.297 1.00 0.50 C ATOM 701 CG ARG A 42 -19.890 3.340 3.264 1.00 0.58 C ATOM 702 CD ARG A 42 -20.454 3.337 4.687 1.00 0.63 C ATOM 703 NE ARG A 42 -21.700 2.521 4.731 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.163 2.095 5.876 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.507 2.340 6.977 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.276 1.415 5.919 1.00 2.51 N ATOM 0 H ARG A 42 -19.094 5.467 1.599 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.960 2.919 0.665 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.202 4.923 2.592 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.844 3.313 2.336 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.620 2.327 2.967 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.979 3.937 3.225 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.717 2.931 5.380 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.664 4.357 5.007 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.192 2.295 3.867 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.633 2.864 6.944 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.869 2.007 7.871 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.785 1.216 5.058 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.637 1.083 6.814 1.00 2.51 H new ATOM 720 N GLU A 43 -21.697 5.500 -0.382 1.00 0.42 N ATOM 721 CA GLU A 43 -22.755 5.893 -1.358 1.00 0.48 C ATOM 722 C GLU A 43 -22.134 6.061 -2.745 1.00 0.45 C ATOM 723 O GLU A 43 -22.763 6.552 -3.662 1.00 0.66 O ATOM 724 CB GLU A 43 -23.389 7.216 -0.923 1.00 0.62 C ATOM 725 CG GLU A 43 -24.137 7.018 0.397 1.00 1.27 C ATOM 726 CD GLU A 43 -24.769 8.343 0.829 1.00 1.75 C ATOM 727 OE1 GLU A 43 -24.557 9.329 0.143 1.00 2.28 O ATOM 728 OE2 GLU A 43 -25.452 8.349 1.840 1.00 2.34 O ATOM 0 H GLU A 43 -21.194 6.278 0.046 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.520 5.117 -1.392 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.619 7.978 -0.805 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -24.075 7.572 -1.691 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.908 6.256 0.280 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.451 6.662 1.166 1.00 1.27 H new ATOM 735 N ASN A 44 -20.900 5.658 -2.905 1.00 0.44 N ATOM 736 CA ASN A 44 -20.222 5.790 -4.233 1.00 0.43 C ATOM 737 C ASN A 44 -19.398 4.533 -4.522 1.00 0.37 C ATOM 738 O ASN A 44 -18.566 4.127 -3.735 1.00 0.47 O ATOM 739 CB ASN A 44 -19.294 7.007 -4.215 1.00 0.54 C ATOM 740 CG ASN A 44 -18.865 7.344 -5.644 1.00 1.30 C ATOM 741 OD1 ASN A 44 -19.536 6.988 -6.592 1.00 2.01 O ATOM 742 ND2 ASN A 44 -17.767 8.021 -5.839 1.00 1.97 N ATOM 0 H ASN A 44 -20.329 5.241 -2.170 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.978 5.915 -5.009 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.804 7.860 -3.767 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.418 6.800 -3.600 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -17.472 8.252 -6.788 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -17.204 8.320 -5.043 1.00 1.97 H new ATOM 749 N LYS A 45 -19.634 3.915 -5.650 1.00 0.49 N ATOM 750 CA LYS A 45 -18.891 2.677 -6.033 1.00 0.61 C ATOM 751 C LYS A 45 -18.239 2.898 -7.398 1.00 0.71 C ATOM 752 O LYS A 45 -17.842 1.970 -8.073 1.00 0.97 O ATOM 753 CB LYS A 45 -19.900 1.538 -6.149 1.00 0.76 C ATOM 754 CG LYS A 45 -20.570 1.300 -4.795 1.00 0.74 C ATOM 755 CD LYS A 45 -21.581 0.158 -4.920 1.00 0.93 C ATOM 756 CE LYS A 45 -22.251 -0.081 -3.565 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.421 -0.984 -3.743 1.00 1.68 N ATOM 0 H LYS A 45 -20.324 4.222 -6.335 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.128 2.441 -5.291 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.652 1.781 -6.900 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.399 0.629 -6.482 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.819 1.055 -4.044 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.071 2.208 -4.460 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.332 0.404 -5.671 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.080 -0.750 -5.255 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -21.539 -0.523 -2.868 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.572 0.867 -3.134 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.877 -1.147 -2.823 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -24.103 -0.545 -4.394 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -23.102 -1.892 -4.137 1.00 1.68 H new ATOM 771 N GLN A 46 -18.168 4.128 -7.819 1.00 0.95 N ATOM 772 CA GLN A 46 -17.594 4.450 -9.157 1.00 1.12 C ATOM 773 C GLN A 46 -16.130 4.019 -9.274 1.00 0.71 C ATOM 774 O GLN A 46 -15.603 3.291 -8.456 1.00 1.16 O ATOM 775 CB GLN A 46 -17.704 5.956 -9.394 1.00 1.90 C ATOM 776 CG GLN A 46 -19.178 6.346 -9.528 1.00 2.64 C ATOM 777 CD GLN A 46 -19.725 5.839 -10.864 1.00 3.38 C ATOM 778 OE1 GLN A 46 -19.158 6.101 -11.906 1.00 3.81 O ATOM 779 NE2 GLN A 46 -20.813 5.117 -10.878 1.00 3.98 N ATOM 0 H GLN A 46 -18.488 4.937 -7.286 1.00 0.95 H new ATOM 0 HA GLN A 46 -18.158 3.899 -9.909 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -17.247 6.499 -8.567 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -17.160 6.233 -10.297 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.753 5.923 -8.704 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.285 7.429 -9.468 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -21.290 4.896 -10.004 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.186 4.774 -11.763 1.00 3.98 H new ATOM 788 N GLY A 47 -15.493 4.459 -10.326 1.00 0.78 N ATOM 789 CA GLY A 47 -14.073 4.093 -10.589 1.00 0.73 C ATOM 790 C GLY A 47 -13.203 4.281 -9.346 1.00 0.54 C ATOM 791 O GLY A 47 -12.054 3.887 -9.333 1.00 0.64 O ATOM 0 H GLY A 47 -15.908 5.070 -11.029 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.019 3.055 -10.918 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -13.684 4.705 -11.402 1.00 0.73 H new ATOM 795 N TRP A 48 -13.712 4.870 -8.300 1.00 0.44 N ATOM 796 CA TRP A 48 -12.850 5.043 -7.100 1.00 0.33 C ATOM 797 C TRP A 48 -12.416 3.654 -6.627 1.00 0.31 C ATOM 798 O TRP A 48 -11.370 3.484 -6.037 1.00 0.37 O ATOM 799 CB TRP A 48 -13.606 5.805 -5.993 1.00 0.36 C ATOM 800 CG TRP A 48 -14.452 4.895 -5.152 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.795 4.764 -5.254 1.00 0.37 C ATOM 802 CD2 TRP A 48 -14.040 4.015 -4.063 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.232 3.857 -4.305 1.00 0.37 N ATOM 804 CE2 TRP A 48 -15.190 3.367 -3.545 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.795 3.716 -3.482 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -15.103 2.458 -2.487 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.706 2.802 -2.420 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.856 2.176 -1.924 1.00 0.42 C ATOM 0 H TRP A 48 -14.663 5.231 -8.224 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.970 5.636 -7.347 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.889 6.322 -5.356 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.238 6.569 -6.447 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.424 5.283 -5.962 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.207 3.584 -4.182 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.901 4.193 -3.855 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.993 1.977 -2.108 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.744 2.580 -1.983 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.779 1.475 -1.106 1.00 0.42 H new ATOM 819 N GLN A 49 -13.216 2.661 -6.896 1.00 0.41 N ATOM 820 CA GLN A 49 -12.861 1.277 -6.478 1.00 0.47 C ATOM 821 C GLN A 49 -11.679 0.740 -7.302 1.00 0.37 C ATOM 822 O GLN A 49 -10.657 0.362 -6.765 1.00 0.38 O ATOM 823 CB GLN A 49 -14.086 0.373 -6.673 1.00 0.65 C ATOM 824 CG GLN A 49 -15.056 0.554 -5.502 1.00 1.21 C ATOM 825 CD GLN A 49 -16.275 -0.347 -5.702 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.547 -0.804 -6.894 1.00 1.96 O flip ATOM 827 NE2 GLN A 49 -16.987 -0.642 -4.761 1.00 1.59 N flip ATOM 0 H GLN A 49 -14.104 2.749 -7.390 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.563 1.286 -5.429 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.584 0.618 -7.611 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -13.773 -0.669 -6.740 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.559 0.308 -4.564 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -15.369 1.596 -5.433 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -16.775 -0.285 -3.829 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -17.796 -1.246 -4.904 1.00 1.59 H new ATOM 836 N ASN A 50 -11.813 0.685 -8.599 1.00 0.37 N ATOM 837 CA ASN A 50 -10.707 0.147 -9.450 1.00 0.39 C ATOM 838 C ASN A 50 -9.442 0.999 -9.308 1.00 0.34 C ATOM 839 O ASN A 50 -8.340 0.488 -9.282 1.00 0.39 O ATOM 840 CB ASN A 50 -11.146 0.148 -10.917 1.00 0.53 C ATOM 841 CG ASN A 50 -12.225 -0.915 -11.140 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.517 -1.749 -10.181 1.00 1.25 O flip ATOM 843 ND2 ASN A 50 -12.812 -0.984 -12.203 1.00 1.28 N flip ATOM 0 H ASN A 50 -12.642 0.990 -9.110 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.485 -0.868 -9.122 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.530 1.131 -11.190 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.290 -0.050 -11.562 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -12.585 -0.332 -12.954 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.531 -1.693 -12.343 1.00 1.28 H new ATOM 850 N SER A 51 -9.588 2.292 -9.244 1.00 0.31 N ATOM 851 CA SER A 51 -8.393 3.178 -9.136 1.00 0.36 C ATOM 852 C SER A 51 -7.550 2.809 -7.911 1.00 0.37 C ATOM 853 O SER A 51 -6.346 2.970 -7.910 1.00 0.50 O ATOM 854 CB SER A 51 -8.858 4.630 -9.011 1.00 0.38 C ATOM 855 OG SER A 51 -7.727 5.489 -9.032 1.00 1.49 O ATOM 0 H SER A 51 -10.485 2.776 -9.262 1.00 0.31 H new ATOM 0 HA SER A 51 -7.780 3.052 -10.029 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.533 4.879 -9.829 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.416 4.767 -8.085 1.00 0.38 H new ATOM 0 HG SER A 51 -6.908 4.952 -9.002 1.00 1.49 H new ATOM 861 N ILE A 52 -8.165 2.345 -6.859 1.00 0.33 N ATOM 862 CA ILE A 52 -7.387 2.004 -5.631 1.00 0.43 C ATOM 863 C ILE A 52 -6.373 0.885 -5.905 1.00 0.42 C ATOM 864 O ILE A 52 -5.191 1.049 -5.676 1.00 0.47 O ATOM 865 CB ILE A 52 -8.365 1.556 -4.534 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.174 2.768 -4.029 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.606 0.894 -3.376 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.411 3.547 -2.948 1.00 0.64 C ATOM 0 H ILE A 52 -9.171 2.187 -6.794 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.833 2.887 -5.311 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.054 0.822 -4.952 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.398 3.430 -4.865 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.128 2.427 -3.627 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.314 0.583 -2.608 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -7.066 0.023 -3.746 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.899 1.606 -2.951 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.012 4.394 -2.617 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.210 2.891 -2.101 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.468 3.910 -3.358 1.00 0.64 H new ATOM 880 N ARG A 53 -6.811 -0.254 -6.369 1.00 0.45 N ATOM 881 CA ARG A 53 -5.847 -1.367 -6.619 1.00 0.53 C ATOM 882 C ARG A 53 -5.189 -1.203 -7.989 1.00 0.49 C ATOM 883 O ARG A 53 -4.066 -1.617 -8.199 1.00 0.47 O ATOM 884 CB ARG A 53 -6.580 -2.708 -6.539 1.00 0.76 C ATOM 885 CG ARG A 53 -7.692 -2.765 -7.588 1.00 0.56 C ATOM 886 CD ARG A 53 -8.523 -4.040 -7.396 1.00 0.37 C ATOM 887 NE ARG A 53 -7.815 -5.184 -8.038 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.194 -6.410 -7.796 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.213 -6.637 -7.012 1.00 1.58 N ATOM 890 NH2 ARG A 53 -7.556 -7.409 -8.344 1.00 2.76 N ATOM 0 H ARG A 53 -7.786 -0.462 -6.585 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.067 -1.340 -5.858 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -5.877 -3.525 -6.699 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.002 -2.841 -5.543 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.332 -1.887 -7.501 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.261 -2.748 -8.589 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.670 -4.237 -6.334 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.512 -3.914 -7.837 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.032 -5.009 -8.668 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.714 -5.856 -6.588 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -9.508 -7.595 -6.824 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -6.763 -7.231 -8.960 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -7.851 -8.367 -8.156 1.00 2.76 H new ATOM 904 N HIS A 54 -5.869 -0.599 -8.924 1.00 0.52 N ATOM 905 CA HIS A 54 -5.266 -0.409 -10.273 1.00 0.59 C ATOM 906 C HIS A 54 -3.987 0.422 -10.152 1.00 0.53 C ATOM 907 O HIS A 54 -3.005 0.172 -10.822 1.00 0.59 O ATOM 908 CB HIS A 54 -6.256 0.316 -11.186 1.00 0.67 C ATOM 909 CG HIS A 54 -5.632 0.499 -12.542 1.00 1.12 C ATOM 910 ND1 HIS A 54 -5.311 -0.574 -13.358 1.00 1.81 N ATOM 911 CD2 HIS A 54 -5.260 1.624 -13.238 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.769 -0.079 -14.486 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.715 1.255 -14.466 1.00 2.48 N ATOM 0 H HIS A 54 -6.813 -0.230 -8.813 1.00 0.52 H new ATOM 0 HA HIS A 54 -5.029 -1.384 -10.698 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.179 -0.258 -11.271 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.521 1.284 -10.760 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.373 2.639 -12.887 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -4.420 -0.687 -15.308 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.353 1.871 -15.193 1.00 2.48 H new ATOM 921 N ASN A 55 -3.999 1.425 -9.315 1.00 0.46 N ATOM 922 CA ASN A 55 -2.794 2.291 -9.164 1.00 0.50 C ATOM 923 C ASN A 55 -1.661 1.520 -8.482 1.00 0.45 C ATOM 924 O ASN A 55 -0.501 1.847 -8.639 1.00 0.51 O ATOM 925 CB ASN A 55 -3.155 3.515 -8.319 1.00 0.53 C ATOM 926 CG ASN A 55 -4.082 4.430 -9.121 1.00 1.27 C ATOM 927 OD1 ASN A 55 -5.080 4.900 -8.614 1.00 2.07 O ATOM 928 ND2 ASN A 55 -3.790 4.704 -10.363 1.00 1.97 N ATOM 0 H ASN A 55 -4.793 1.682 -8.728 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.459 2.605 -10.153 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.644 3.202 -7.396 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.251 4.054 -8.034 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -4.400 5.313 -10.908 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -2.951 4.309 -10.789 1.00 1.97 H new ATOM 935 N LEU A 56 -1.972 0.504 -7.726 1.00 0.39 N ATOM 936 CA LEU A 56 -0.886 -0.261 -7.049 1.00 0.39 C ATOM 937 C LEU A 56 0.046 -0.867 -8.103 1.00 0.44 C ATOM 938 O LEU A 56 1.250 -0.891 -7.939 1.00 0.78 O ATOM 939 CB LEU A 56 -1.486 -1.384 -6.198 1.00 0.44 C ATOM 940 CG LEU A 56 -2.217 -0.795 -4.981 1.00 0.50 C ATOM 941 CD1 LEU A 56 -2.938 -1.920 -4.223 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.221 -0.092 -4.037 1.00 0.53 C ATOM 0 H LEU A 56 -2.920 0.172 -7.548 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.324 0.415 -6.405 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.179 -1.974 -6.798 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -0.698 -2.059 -5.866 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.943 -0.061 -5.330 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.457 -1.503 -3.360 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -3.661 -2.399 -4.884 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.209 -2.657 -3.887 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.758 0.318 -3.182 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.480 -0.811 -3.689 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.720 0.715 -4.572 1.00 0.53 H new ATOM 954 N SER A 57 -0.501 -1.362 -9.181 1.00 0.55 N ATOM 955 CA SER A 57 0.353 -1.971 -10.241 1.00 0.61 C ATOM 956 C SER A 57 1.323 -0.928 -10.800 1.00 0.64 C ATOM 957 O SER A 57 2.505 -1.177 -10.933 1.00 0.69 O ATOM 958 CB SER A 57 -0.534 -2.497 -11.371 1.00 0.71 C ATOM 959 OG SER A 57 0.285 -3.070 -12.382 1.00 1.60 O ATOM 0 H SER A 57 -1.503 -1.371 -9.373 1.00 0.55 H new ATOM 0 HA SER A 57 0.924 -2.793 -9.808 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.231 -3.242 -10.986 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.132 -1.686 -11.787 1.00 0.71 H new ATOM 0 HG SER A 57 -0.280 -3.410 -13.107 1.00 1.60 H new ATOM 965 N LEU A 58 0.838 0.237 -11.136 1.00 0.65 N ATOM 966 CA LEU A 58 1.746 1.282 -11.689 1.00 0.73 C ATOM 967 C LEU A 58 2.699 1.756 -10.593 1.00 0.69 C ATOM 968 O LEU A 58 3.870 1.977 -10.829 1.00 0.76 O ATOM 969 CB LEU A 58 0.927 2.469 -12.201 1.00 0.81 C ATOM 970 CG LEU A 58 0.249 2.105 -13.530 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.828 1.039 -13.295 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.397 3.357 -14.131 1.00 1.31 C ATOM 0 H LEU A 58 -0.141 0.509 -11.052 1.00 0.65 H new ATOM 0 HA LEU A 58 2.317 0.860 -12.516 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.174 2.747 -11.463 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.574 3.335 -12.339 1.00 0.81 H new ATOM 0 HG LEU A 58 0.998 1.711 -14.217 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.304 0.787 -14.243 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -0.369 0.146 -12.870 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.578 1.425 -12.604 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.879 3.101 -15.075 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -1.141 3.750 -13.439 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.369 4.112 -14.308 1.00 1.31 H new ATOM 984 N ASN A 59 2.211 1.910 -9.393 1.00 0.62 N ATOM 985 CA ASN A 59 3.099 2.362 -8.289 1.00 0.61 C ATOM 986 C ASN A 59 3.905 1.170 -7.779 1.00 0.56 C ATOM 987 O ASN A 59 3.369 0.235 -7.216 1.00 0.52 O ATOM 988 CB ASN A 59 2.252 2.937 -7.151 1.00 0.64 C ATOM 989 CG ASN A 59 1.665 4.281 -7.583 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.267 4.999 -8.357 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.503 4.652 -7.121 1.00 1.29 N ATOM 0 H ASN A 59 1.239 1.743 -9.131 1.00 0.62 H new ATOM 0 HA ASN A 59 3.777 3.134 -8.654 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.451 2.244 -6.893 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.863 3.065 -6.257 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.101 5.544 -7.409 1.00 1.29 H new ATOM 0 HD22 ASN A 59 -0.003 4.050 -6.471 1.00 1.29 H new ATOM 998 N GLU A 60 5.193 1.200 -7.976 1.00 0.62 N ATOM 999 CA GLU A 60 6.059 0.079 -7.517 1.00 0.65 C ATOM 1000 C GLU A 60 6.520 0.372 -6.089 1.00 0.58 C ATOM 1001 O GLU A 60 7.257 -0.385 -5.488 1.00 0.55 O ATOM 1002 CB GLU A 60 7.269 -0.013 -8.446 1.00 0.84 C ATOM 1003 CG GLU A 60 6.788 -0.276 -9.875 1.00 0.97 C ATOM 1004 CD GLU A 60 7.994 -0.368 -10.812 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.085 -0.049 -10.371 1.00 2.17 O ATOM 1006 OE2 GLU A 60 7.804 -0.745 -11.956 1.00 2.02 O ATOM 0 H GLU A 60 5.688 1.962 -8.440 1.00 0.62 H new ATOM 0 HA GLU A 60 5.513 -0.864 -7.536 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.843 0.913 -8.407 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.933 -0.814 -8.120 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.214 -1.202 -9.912 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.123 0.524 -10.199 1.00 0.97 H new ATOM 1013 N CYS A 61 6.080 1.474 -5.547 1.00 0.62 N ATOM 1014 CA CYS A 61 6.470 1.846 -4.160 1.00 0.65 C ATOM 1015 C CYS A 61 6.004 0.756 -3.191 1.00 0.53 C ATOM 1016 O CYS A 61 6.667 0.446 -2.221 1.00 0.57 O ATOM 1017 CB CYS A 61 5.813 3.178 -3.789 1.00 0.78 C ATOM 1018 SG CYS A 61 6.582 4.512 -4.741 1.00 1.56 S ATOM 0 H CYS A 61 5.461 2.138 -6.011 1.00 0.62 H new ATOM 0 HA CYS A 61 7.554 1.946 -4.098 1.00 0.65 H new ATOM 0 HB2 CYS A 61 4.743 3.139 -3.995 1.00 0.78 H new ATOM 0 HB3 CYS A 61 5.925 3.367 -2.721 1.00 0.78 H new ATOM 0 HG CYS A 61 6.024 5.644 -4.430 1.00 1.56 H new ATOM 1024 N PHE A 62 4.857 0.182 -3.439 1.00 0.46 N ATOM 1025 CA PHE A 62 4.334 -0.876 -2.529 1.00 0.40 C ATOM 1026 C PHE A 62 5.047 -2.200 -2.818 1.00 0.44 C ATOM 1027 O PHE A 62 5.646 -2.377 -3.859 1.00 0.55 O ATOM 1028 CB PHE A 62 2.834 -1.057 -2.758 1.00 0.44 C ATOM 1029 CG PHE A 62 2.123 0.256 -2.539 1.00 0.40 C ATOM 1030 CD1 PHE A 62 1.692 0.616 -1.257 1.00 1.27 C ATOM 1031 CD2 PHE A 62 1.890 1.109 -3.623 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.029 1.834 -1.059 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.227 2.326 -3.426 1.00 1.32 C ATOM 1034 CZ PHE A 62 0.796 2.688 -2.145 1.00 0.59 C ATOM 0 H PHE A 62 4.259 0.402 -4.235 1.00 0.46 H new ATOM 0 HA PHE A 62 4.514 -0.579 -1.496 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.652 -1.415 -3.771 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.441 -1.812 -2.077 1.00 0.44 H new ATOM 0 HD1 PHE A 62 1.870 -0.045 -0.421 1.00 1.27 H new ATOM 0 HD2 PHE A 62 2.222 0.829 -4.612 1.00 1.29 H new ATOM 0 HE1 PHE A 62 0.698 2.115 -0.070 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.048 2.985 -4.262 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.283 3.626 -1.993 1.00 0.59 H new ATOM 1044 N VAL A 63 4.993 -3.126 -1.892 1.00 0.46 N ATOM 1045 CA VAL A 63 5.672 -4.448 -2.078 1.00 0.55 C ATOM 1046 C VAL A 63 4.628 -5.568 -2.072 1.00 0.45 C ATOM 1047 O VAL A 63 3.795 -5.645 -1.191 1.00 0.45 O ATOM 1048 CB VAL A 63 6.646 -4.675 -0.923 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.398 -5.991 -1.137 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.641 -3.517 -0.857 1.00 0.91 C ATOM 0 H VAL A 63 4.502 -3.021 -1.004 1.00 0.46 H new ATOM 0 HA VAL A 63 6.207 -4.451 -3.028 1.00 0.55 H new ATOM 0 HB VAL A 63 6.091 -4.726 0.014 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.092 -6.152 -0.312 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.685 -6.815 -1.177 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.952 -5.945 -2.074 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.335 -3.680 -0.033 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.196 -3.461 -1.793 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.102 -2.583 -0.698 1.00 0.91 H new ATOM 1060 N LYS A 64 4.666 -6.437 -3.047 1.00 0.53 N ATOM 1061 CA LYS A 64 3.672 -7.550 -3.093 1.00 0.56 C ATOM 1062 C LYS A 64 4.181 -8.740 -2.274 1.00 0.54 C ATOM 1063 O LYS A 64 5.273 -9.229 -2.485 1.00 0.77 O ATOM 1064 CB LYS A 64 3.478 -8.008 -4.540 1.00 0.84 C ATOM 1065 CG LYS A 64 2.745 -6.936 -5.343 1.00 0.94 C ATOM 1066 CD LYS A 64 2.570 -7.429 -6.780 1.00 1.11 C ATOM 1067 CE LYS A 64 1.697 -6.448 -7.558 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.028 -5.053 -7.150 1.00 1.81 N ATOM 0 H LYS A 64 5.340 -6.425 -3.812 1.00 0.53 H new ATOM 0 HA LYS A 64 2.728 -7.192 -2.681 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.446 -8.215 -4.996 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.911 -8.939 -4.561 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.774 -6.727 -4.895 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.309 -6.003 -5.330 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.543 -7.526 -7.262 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.113 -8.418 -6.782 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.858 -6.572 -8.629 1.00 1.05 H new ATOM 0 HE3 LYS A 64 0.643 -6.653 -7.368 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.736 -4.394 -7.899 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 1.526 -4.821 -6.269 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 3.053 -4.970 -6.996 1.00 1.81 H new ATOM 1082 N VAL A 65 3.383 -9.223 -1.356 1.00 0.50 N ATOM 1083 CA VAL A 65 3.782 -10.403 -0.526 1.00 0.57 C ATOM 1084 C VAL A 65 2.620 -11.402 -0.507 1.00 0.63 C ATOM 1085 O VAL A 65 1.953 -11.564 0.494 1.00 0.84 O ATOM 1086 CB VAL A 65 4.104 -9.950 0.909 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.570 -9.519 1.008 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.208 -8.768 1.288 1.00 0.69 C ATOM 0 H VAL A 65 2.460 -8.846 -1.143 1.00 0.50 H new ATOM 0 HA VAL A 65 4.670 -10.872 -0.951 1.00 0.57 H new ATOM 0 HB VAL A 65 3.925 -10.783 1.589 1.00 0.69 H new ATOM 0 HG11 VAL A 65 5.787 -9.200 2.027 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.214 -10.358 0.745 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.753 -8.692 0.322 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.438 -8.449 2.305 1.00 0.69 H new ATOM 0 HG22 VAL A 65 3.385 -7.942 0.599 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.162 -9.071 1.230 1.00 0.69 H new ATOM 1098 N PRO A 66 2.379 -12.064 -1.610 1.00 0.81 N ATOM 1099 CA PRO A 66 1.277 -13.061 -1.725 1.00 0.96 C ATOM 1100 C PRO A 66 1.211 -13.996 -0.513 1.00 0.95 C ATOM 1101 O PRO A 66 2.028 -13.922 0.385 1.00 1.13 O ATOM 1102 CB PRO A 66 1.636 -13.839 -2.994 1.00 1.25 C ATOM 1103 CG PRO A 66 2.377 -12.856 -3.842 1.00 1.65 C ATOM 1104 CD PRO A 66 3.132 -11.939 -2.871 1.00 1.18 C ATOM 0 HA PRO A 66 0.296 -12.587 -1.767 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.252 -14.709 -2.765 1.00 1.25 H new ATOM 0 HB3 PRO A 66 0.743 -14.205 -3.500 1.00 1.25 H new ATOM 0 HG2 PRO A 66 3.068 -13.365 -4.514 1.00 1.65 H new ATOM 0 HG3 PRO A 66 1.690 -12.283 -4.465 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.169 -12.252 -2.750 1.00 1.18 H new ATOM 0 HD3 PRO A 66 3.149 -10.909 -3.226 1.00 1.18 H new ATOM 1265 N TYR A 77 -1.436 -10.333 -0.010 1.00 0.60 N ATOM 1266 CA TYR A 77 -1.165 -9.358 1.083 1.00 0.46 C ATOM 1267 C TYR A 77 -0.256 -8.250 0.548 1.00 0.38 C ATOM 1268 O TYR A 77 0.409 -8.414 -0.455 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.470 -10.058 2.256 1.00 0.65 C ATOM 1270 CG TYR A 77 -1.211 -11.311 2.703 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.546 -11.576 2.327 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.537 -12.221 3.529 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -3.182 -12.741 2.780 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -1.177 -13.383 3.976 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.499 -13.642 3.603 1.00 0.70 C ATOM 1276 OH TYR A 77 -3.128 -14.788 4.046 1.00 0.90 O ATOM 0 HA TYR A 77 -2.108 -8.936 1.430 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.547 -10.324 1.967 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.392 -9.366 3.095 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -3.077 -10.883 1.691 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.484 -12.024 3.823 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -4.203 -12.943 2.492 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.649 -14.080 4.610 1.00 1.32 H new ATOM 0 HH TYR A 77 -2.511 -15.304 4.607 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.230 -7.119 1.208 1.00 0.32 N ATOM 1287 CA TRP A 78 0.631 -5.985 0.748 1.00 0.31 C ATOM 1288 C TRP A 78 1.380 -5.388 1.944 1.00 0.32 C ATOM 1289 O TRP A 78 0.852 -5.293 3.035 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.258 -4.915 0.112 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.838 -5.455 -1.153 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.805 -6.400 -1.223 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.513 -5.098 -2.527 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.082 -6.657 -2.554 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.313 -5.877 -3.396 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.392 -4.187 -3.098 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.214 -5.755 -4.784 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.490 -4.058 -4.490 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.310 -4.841 -5.332 1.00 0.46 C ATOM 0 H TRP A 78 -0.772 -6.931 2.051 1.00 0.32 H new ATOM 0 HA TRP A 78 1.356 -6.345 0.018 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.054 -4.629 0.800 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.323 -4.016 -0.094 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.282 -6.875 -0.379 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.770 -7.339 -2.874 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.017 -3.581 -2.459 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.832 -6.363 -5.429 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.186 -3.351 -4.916 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.228 -4.738 -6.404 1.00 0.46 H new ATOM 1310 N THR A 79 2.607 -4.977 1.748 1.00 0.33 N ATOM 1311 CA THR A 79 3.392 -4.379 2.870 1.00 0.37 C ATOM 1312 C THR A 79 4.377 -3.350 2.304 1.00 0.40 C ATOM 1313 O THR A 79 4.607 -3.291 1.113 1.00 0.45 O ATOM 1314 CB THR A 79 4.152 -5.481 3.618 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.656 -4.956 4.838 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.315 -6.000 2.768 1.00 0.56 C ATOM 0 H THR A 79 3.100 -5.030 0.857 1.00 0.33 H new ATOM 0 HA THR A 79 2.716 -3.885 3.568 1.00 0.37 H new ATOM 0 HB THR A 79 3.470 -6.307 3.821 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.141 -5.658 5.320 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.844 -6.782 3.313 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.929 -6.407 1.833 1.00 0.56 H new ATOM 0 HG23 THR A 79 6.001 -5.181 2.551 1.00 0.56 H new ATOM 1324 N LEU A 80 4.951 -2.530 3.146 1.00 0.45 N ATOM 1325 CA LEU A 80 5.911 -1.491 2.660 1.00 0.53 C ATOM 1326 C LEU A 80 7.351 -1.943 2.927 1.00 0.74 C ATOM 1327 O LEU A 80 7.746 -2.148 4.058 1.00 1.42 O ATOM 1328 CB LEU A 80 5.652 -0.189 3.424 1.00 0.54 C ATOM 1329 CG LEU A 80 4.212 0.279 3.191 1.00 0.63 C ATOM 1330 CD1 LEU A 80 3.871 1.379 4.201 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.051 0.829 1.767 1.00 0.81 C ATOM 0 H LEU A 80 4.796 -2.535 4.154 1.00 0.45 H new ATOM 0 HA LEU A 80 5.773 -1.341 1.589 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.825 -0.342 4.489 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.351 0.580 3.095 1.00 0.54 H new ATOM 0 HG LEU A 80 3.539 -0.569 3.319 1.00 0.63 H new ATOM 0 HD11 LEU A 80 2.847 1.716 4.040 1.00 0.86 H new ATOM 0 HD12 LEU A 80 3.969 0.987 5.213 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.554 2.218 4.070 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.022 1.157 1.618 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.725 1.673 1.625 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.291 0.048 1.046 1.00 0.81 H new