USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 28 ASN : amide:sc= -1.83 K(o=-5.6,f=-8) USER MOD Set 1.2: A 37 MET CE :methyl 146:sc= -3.73! (180deg=-1.52) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.57! C(o=-4!,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 50:sc= 0.319 USER MOD Single : A 23 GLN : amide:sc= -0.756 K(o=-0.76,f=-5.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.058) USER MOD Single : A 56 SER OG : rot 69:sc= -0.1 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.0555 (180deg=-0.369) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.2!) USER MOD Single : A 78 TYR OH : rot 30:sc= -1.93! USER MOD Single : A 79 SER OG : rot 180:sc= -2.75 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.0804 (180deg=-0.398) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.484 -11.205 0.745 1.00 0.00 N ATOM 17 CA LEU A 8 9.085 -12.518 0.952 1.00 0.00 C ATOM 18 C LEU A 8 10.568 -12.500 0.596 1.00 0.00 C ATOM 19 O LEU A 8 11.102 -11.478 0.166 1.00 0.00 O ATOM 20 CB LEU A 8 8.360 -13.571 0.113 1.00 0.00 C ATOM 21 CG LEU A 8 8.237 -13.271 -1.381 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.504 -13.683 -2.115 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.024 -13.978 -1.969 1.00 0.00 C ATOM 0 HA LEU A 8 8.987 -12.773 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.880 -14.522 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.358 -13.704 0.520 1.00 0.00 H new ATOM 0 HG LEU A 8 8.103 -12.197 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.398 -13.462 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.353 -13.131 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.670 -14.752 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.952 -13.753 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.128 -15.054 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.122 -13.634 -1.464 1.00 0.00 H new ATOM 35 N SER A 9 11.228 -13.640 0.774 1.00 0.00 N ATOM 36 CA SER A 9 12.650 -13.756 0.473 1.00 0.00 C ATOM 37 C SER A 9 12.881 -14.696 -0.706 1.00 0.00 C ATOM 38 O SER A 9 11.942 -15.293 -1.230 1.00 0.00 O ATOM 39 CB SER A 9 13.414 -14.259 1.699 1.00 0.00 C ATOM 40 OG SER A 9 13.867 -13.179 2.497 1.00 0.00 O ATOM 0 H SER A 9 10.800 -14.497 1.125 1.00 0.00 H new ATOM 0 HA SER A 9 13.021 -12.767 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.769 -14.908 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.265 -14.861 1.379 1.00 0.00 H new ATOM 0 HG SER A 9 14.351 -13.527 3.275 1.00 0.00 H new ATOM 46 N ASN A 10 14.139 -14.823 -1.116 1.00 0.00 N ATOM 47 CA ASN A 10 14.495 -15.690 -2.233 1.00 0.00 C ATOM 48 C ASN A 10 14.732 -17.120 -1.758 1.00 0.00 C ATOM 49 O ASN A 10 14.178 -18.071 -2.311 1.00 0.00 O ATOM 50 CB ASN A 10 15.746 -15.161 -2.938 1.00 0.00 C ATOM 51 CG ASN A 10 15.767 -15.507 -4.415 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.685 -16.384 -4.803 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.968 -14.991 -5.196 1.00 0.00 N flip ATOM 0 H ASN A 10 14.929 -14.337 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 10 13.663 -15.693 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.796 -14.079 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.633 -15.575 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.279 -14.322 -4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.995 -15.233 -6.187 1.00 0.00 H new ATOM 60 N THR A 11 15.559 -17.266 -0.727 1.00 0.00 N ATOM 61 CA THR A 11 15.870 -18.579 -0.176 1.00 0.00 C ATOM 62 C THR A 11 15.707 -18.593 1.339 1.00 0.00 C ATOM 63 O THR A 11 16.641 -18.275 2.076 1.00 0.00 O ATOM 64 CB THR A 11 17.305 -19.011 -0.531 1.00 0.00 C ATOM 65 OG1 THR A 11 18.224 -17.957 -0.224 1.00 0.00 O ATOM 66 CG2 THR A 11 17.412 -19.372 -2.005 1.00 0.00 C ATOM 0 H THR A 11 16.026 -16.490 -0.257 1.00 0.00 H new ATOM 0 HA THR A 11 15.166 -19.283 -0.620 1.00 0.00 H new ATOM 0 HB THR A 11 17.553 -19.892 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.069 -17.644 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.434 -19.674 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.733 -20.194 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.146 -18.507 -2.612 1.00 0.00 H new ATOM 74 N ARG A 12 14.516 -18.962 1.799 1.00 0.00 N ATOM 75 CA ARG A 12 14.232 -19.016 3.228 1.00 0.00 C ATOM 76 C ARG A 12 12.799 -19.477 3.480 1.00 0.00 C ATOM 77 O ARG A 12 11.844 -18.853 3.016 1.00 0.00 O ATOM 78 CB ARG A 12 14.458 -17.645 3.867 1.00 0.00 C ATOM 79 CG ARG A 12 15.362 -17.683 5.088 1.00 0.00 C ATOM 80 CD ARG A 12 15.911 -16.304 5.418 1.00 0.00 C ATOM 81 NE ARG A 12 16.363 -16.213 6.804 1.00 0.00 N ATOM 82 CZ ARG A 12 16.649 -15.065 7.410 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.529 -13.919 6.755 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.055 -15.064 8.673 1.00 0.00 N ATOM 0 H ARG A 12 13.732 -19.228 1.203 1.00 0.00 H new ATOM 0 HA ARG A 12 14.913 -19.737 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.892 -16.975 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.494 -17.223 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.805 -18.068 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.188 -18.371 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.741 -16.075 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.141 -15.554 5.238 1.00 0.00 H new ATOM 0 HE ARG A 12 16.465 -17.077 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.217 -13.917 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.749 -13.039 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.148 -15.944 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.274 -14.183 9.137 1.00 0.00 H new ATOM 98 N LEU A 13 12.657 -20.573 4.217 1.00 0.00 N ATOM 99 CA LEU A 13 11.341 -21.119 4.531 1.00 0.00 C ATOM 100 C LEU A 13 11.160 -21.270 6.038 1.00 0.00 C ATOM 101 O LEU A 13 11.931 -21.966 6.699 1.00 0.00 O ATOM 102 CB LEU A 13 11.151 -22.473 3.844 1.00 0.00 C ATOM 103 CG LEU A 13 11.898 -22.666 2.524 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.564 -24.019 1.915 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.563 -21.544 1.552 1.00 0.00 C ATOM 0 H LEU A 13 13.437 -21.101 4.608 1.00 0.00 H new ATOM 0 HA LEU A 13 10.588 -20.423 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.466 -23.256 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.086 -22.619 3.661 1.00 0.00 H new ATOM 0 HG LEU A 13 12.969 -22.636 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.105 -24.139 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.856 -24.811 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.492 -24.079 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.104 -21.698 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.491 -21.542 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.854 -20.587 1.986 1.00 0.00 H new ATOM 117 N PHE A 14 10.135 -20.617 6.574 1.00 0.00 N ATOM 118 CA PHE A 14 9.851 -20.679 8.003 1.00 0.00 C ATOM 119 C PHE A 14 8.836 -21.778 8.308 1.00 0.00 C ATOM 120 O PHE A 14 7.723 -21.773 7.783 1.00 0.00 O ATOM 121 CB PHE A 14 9.325 -19.331 8.499 1.00 0.00 C ATOM 122 CG PHE A 14 8.524 -19.430 9.766 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.156 -19.548 10.994 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.139 -19.405 9.730 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.422 -19.640 12.161 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.399 -19.496 10.894 1.00 0.00 C ATOM 127 CZ PHE A 14 7.042 -19.613 12.111 1.00 0.00 C ATOM 0 H PHE A 14 9.487 -20.038 6.040 1.00 0.00 H new ATOM 0 HA PHE A 14 10.780 -20.912 8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.168 -18.659 8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.706 -18.883 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.235 -19.568 11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.632 -19.313 8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.927 -19.733 13.111 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.320 -19.476 10.852 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.466 -19.683 13.022 1.00 0.00 H new ATOM 137 N VAL A 15 9.230 -22.719 9.160 1.00 0.00 N ATOM 138 CA VAL A 15 8.357 -23.824 9.536 1.00 0.00 C ATOM 139 C VAL A 15 7.798 -23.628 10.941 1.00 0.00 C ATOM 140 O VAL A 15 8.284 -22.792 11.703 1.00 0.00 O ATOM 141 CB VAL A 15 9.098 -25.172 9.474 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.115 -26.313 9.257 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.152 -25.149 8.377 1.00 0.00 C ATOM 0 H VAL A 15 10.149 -22.738 9.603 1.00 0.00 H new ATOM 0 HA VAL A 15 7.536 -23.837 8.819 1.00 0.00 H new ATOM 0 HB VAL A 15 9.601 -25.335 10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.657 -27.258 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.401 -26.340 10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.581 -26.160 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.667 -26.109 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.673 -24.964 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.873 -24.357 8.582 1.00 0.00 H new ATOM 153 N ARG A 16 6.774 -24.406 11.278 1.00 0.00 N ATOM 154 CA ARG A 16 6.148 -24.318 12.592 1.00 0.00 C ATOM 155 C ARG A 16 7.025 -24.970 13.657 1.00 0.00 C ATOM 156 O ARG A 16 7.974 -25.695 13.356 1.00 0.00 O ATOM 157 CB ARG A 16 4.772 -24.986 12.570 1.00 0.00 C ATOM 158 CG ARG A 16 3.658 -24.070 12.090 1.00 0.00 C ATOM 159 CD ARG A 16 3.361 -22.976 13.103 1.00 0.00 C ATOM 160 NE ARG A 16 2.397 -22.004 12.592 1.00 0.00 N ATOM 161 CZ ARG A 16 1.805 -21.089 13.351 1.00 0.00 C ATOM 162 NH1 ARG A 16 2.077 -21.019 14.646 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.938 -20.239 12.813 1.00 0.00 N ATOM 0 H ARG A 16 6.361 -25.104 10.660 1.00 0.00 H new ATOM 0 HA ARG A 16 6.029 -23.263 12.840 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.814 -25.863 11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.533 -25.340 13.573 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.941 -23.619 11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.756 -24.655 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.973 -23.424 14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.287 -22.464 13.366 1.00 0.00 H new ATOM 0 HE ARG A 16 2.166 -22.030 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.743 -21.669 15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.620 -20.315 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.726 -20.289 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.484 -19.536 13.396 1.00 0.00 H new ATOM 177 N PRO A 17 6.703 -24.707 14.932 1.00 0.00 N ATOM 178 CA PRO A 17 7.448 -25.259 16.067 1.00 0.00 C ATOM 179 C PRO A 17 7.241 -26.761 16.222 1.00 0.00 C ATOM 180 O PRO A 17 6.111 -27.232 16.353 1.00 0.00 O ATOM 181 CB PRO A 17 6.867 -24.512 17.270 1.00 0.00 C ATOM 182 CG PRO A 17 5.497 -24.113 16.842 1.00 0.00 C ATOM 183 CD PRO A 17 5.585 -23.852 15.364 1.00 0.00 C ATOM 0 HA PRO A 17 8.524 -25.132 15.948 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.836 -25.149 18.154 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.471 -23.642 17.525 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.776 -24.902 17.057 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.165 -23.223 17.376 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.658 -24.114 14.854 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.779 -22.800 15.153 1.00 0.00 H new ATOM 191 N PHE A 18 8.339 -27.510 16.206 1.00 0.00 N ATOM 192 CA PHE A 18 8.277 -28.961 16.345 1.00 0.00 C ATOM 193 C PHE A 18 8.441 -29.375 17.804 1.00 0.00 C ATOM 194 O PHE A 18 8.990 -28.641 18.626 1.00 0.00 O ATOM 195 CB PHE A 18 9.359 -29.622 15.489 1.00 0.00 C ATOM 196 CG PHE A 18 9.211 -29.351 14.020 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.591 -28.130 13.485 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.691 -30.316 13.172 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.456 -27.877 12.133 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.555 -30.069 11.819 1.00 0.00 C ATOM 201 CZ PHE A 18 8.937 -28.848 11.299 1.00 0.00 C ATOM 0 H PHE A 18 9.282 -27.137 16.098 1.00 0.00 H new ATOM 0 HA PHE A 18 7.298 -29.293 16.000 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.337 -29.270 15.818 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.335 -30.699 15.656 1.00 0.00 H new ATOM 0 HD1 PHE A 18 9.997 -27.367 14.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.389 -31.272 13.573 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.756 -26.921 11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.150 -30.830 11.169 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.830 -28.653 10.242 1.00 0.00 H new ATOM 211 N PRO A 19 7.955 -30.581 18.134 1.00 0.00 N ATOM 212 CA PRO A 19 8.036 -31.121 19.495 1.00 0.00 C ATOM 213 C PRO A 19 9.464 -31.480 19.892 1.00 0.00 C ATOM 214 O PRO A 19 10.425 -31.019 19.275 1.00 0.00 O ATOM 215 CB PRO A 19 7.167 -32.380 19.428 1.00 0.00 C ATOM 216 CG PRO A 19 7.197 -32.786 17.995 1.00 0.00 C ATOM 217 CD PRO A 19 7.289 -31.509 17.205 1.00 0.00 C ATOM 0 HA PRO A 19 7.707 -30.398 20.241 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.561 -33.167 20.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.149 -32.176 19.760 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.050 -33.434 17.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.300 -33.346 17.729 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.865 -31.643 16.289 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.304 -31.146 16.912 1.00 0.00 H new ATOM 225 N LEU A 20 9.596 -32.305 20.925 1.00 0.00 N ATOM 226 CA LEU A 20 10.908 -32.726 21.404 1.00 0.00 C ATOM 227 C LEU A 20 11.744 -33.304 20.267 1.00 0.00 C ATOM 228 O LEU A 20 12.970 -33.372 20.356 1.00 0.00 O ATOM 229 CB LEU A 20 10.756 -33.763 22.519 1.00 0.00 C ATOM 230 CG LEU A 20 9.935 -35.005 22.173 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.826 -36.088 21.584 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.206 -35.523 23.405 1.00 0.00 C ATOM 0 H LEU A 20 8.811 -32.695 21.447 1.00 0.00 H new ATOM 0 HA LEU A 20 11.422 -31.849 21.798 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.751 -34.084 22.827 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.297 -33.277 23.380 1.00 0.00 H new ATOM 0 HG LEU A 20 9.192 -34.728 21.425 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.224 -36.964 21.344 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.301 -35.715 20.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.593 -36.362 22.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.627 -36.407 23.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.932 -35.782 24.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.536 -34.751 23.783 1.00 0.00 H new ATOM 244 N ASP A 21 11.073 -33.718 19.198 1.00 0.00 N ATOM 245 CA ASP A 21 11.754 -34.287 18.040 1.00 0.00 C ATOM 246 C ASP A 21 12.158 -33.194 17.056 1.00 0.00 C ATOM 247 O ASP A 21 12.345 -33.453 15.867 1.00 0.00 O ATOM 248 CB ASP A 21 10.854 -35.310 17.345 1.00 0.00 C ATOM 249 CG ASP A 21 10.731 -36.601 18.129 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.778 -37.188 18.474 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.588 -37.026 18.397 1.00 0.00 O ATOM 0 H ASP A 21 10.058 -33.670 19.109 1.00 0.00 H new ATOM 0 HA ASP A 21 12.657 -34.787 18.389 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.863 -34.880 17.202 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.253 -35.527 16.354 1.00 0.00 H new ATOM 256 N VAL A 22 12.291 -31.971 17.560 1.00 0.00 N ATOM 257 CA VAL A 22 12.674 -30.838 16.725 1.00 0.00 C ATOM 258 C VAL A 22 14.167 -30.863 16.416 1.00 0.00 C ATOM 259 O VAL A 22 14.979 -30.362 17.193 1.00 0.00 O ATOM 260 CB VAL A 22 12.323 -29.500 17.401 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.895 -29.446 18.809 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.828 -28.333 16.566 1.00 0.00 C ATOM 0 H VAL A 22 12.139 -31.739 18.542 1.00 0.00 H new ATOM 0 HA VAL A 22 12.112 -30.925 15.795 1.00 0.00 H new ATOM 0 HB VAL A 22 11.238 -29.423 17.473 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.636 -28.493 19.270 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.480 -30.261 19.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.980 -29.546 18.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.571 -27.395 17.059 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.911 -28.403 16.460 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.364 -28.364 15.580 1.00 0.00 H new ATOM 272 N GLN A 23 14.520 -31.449 15.276 1.00 0.00 N ATOM 273 CA GLN A 23 15.916 -31.538 14.865 1.00 0.00 C ATOM 274 C GLN A 23 16.040 -31.482 13.346 1.00 0.00 C ATOM 275 O GLN A 23 15.069 -31.710 12.626 1.00 0.00 O ATOM 276 CB GLN A 23 16.543 -32.830 15.392 1.00 0.00 C ATOM 277 CG GLN A 23 15.795 -34.085 14.972 1.00 0.00 C ATOM 278 CD GLN A 23 16.310 -35.331 15.664 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.597 -36.340 15.019 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.432 -35.268 16.985 1.00 0.00 N ATOM 0 H GLN A 23 13.859 -31.869 14.622 1.00 0.00 H new ATOM 0 HA GLN A 23 16.448 -30.686 15.287 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.572 -32.895 15.039 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.582 -32.787 16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.735 -33.963 15.194 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.882 -34.211 13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.183 -34.412 17.480 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.775 -36.076 17.505 1.00 0.00 H new ATOM 289 N GLU A 24 17.242 -31.176 12.866 1.00 0.00 N ATOM 290 CA GLU A 24 17.492 -31.088 11.432 1.00 0.00 C ATOM 291 C GLU A 24 17.240 -32.431 10.753 1.00 0.00 C ATOM 292 O GLU A 24 17.027 -32.497 9.543 1.00 0.00 O ATOM 293 CB GLU A 24 18.928 -30.632 11.169 1.00 0.00 C ATOM 294 CG GLU A 24 19.978 -31.618 11.653 1.00 0.00 C ATOM 295 CD GLU A 24 21.339 -31.374 11.030 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.122 -30.591 11.607 1.00 0.00 O ATOM 297 OE2 GLU A 24 21.620 -31.966 9.967 1.00 0.00 O ATOM 0 H GLU A 24 18.057 -30.985 13.449 1.00 0.00 H new ATOM 0 HA GLU A 24 16.804 -30.354 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.059 -30.471 10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.091 -29.672 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.062 -31.550 12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.653 -32.632 11.421 1.00 0.00 H new ATOM 304 N SER A 25 17.267 -33.501 11.542 1.00 0.00 N ATOM 305 CA SER A 25 17.047 -34.843 11.017 1.00 0.00 C ATOM 306 C SER A 25 15.746 -34.909 10.222 1.00 0.00 C ATOM 307 O SER A 25 15.729 -35.360 9.077 1.00 0.00 O ATOM 308 CB SER A 25 17.012 -35.861 12.159 1.00 0.00 C ATOM 309 OG SER A 25 17.188 -37.180 11.673 1.00 0.00 O ATOM 0 H SER A 25 17.439 -33.464 12.547 1.00 0.00 H new ATOM 0 HA SER A 25 17.874 -35.085 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.795 -35.629 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.061 -35.788 12.686 1.00 0.00 H new ATOM 0 HG SER A 25 17.163 -37.811 12.423 1.00 0.00 H new ATOM 315 N GLU A 26 14.659 -34.456 10.839 1.00 0.00 N ATOM 316 CA GLU A 26 13.354 -34.465 10.190 1.00 0.00 C ATOM 317 C GLU A 26 13.306 -33.450 9.051 1.00 0.00 C ATOM 318 O GLU A 26 12.713 -33.705 8.001 1.00 0.00 O ATOM 319 CB GLU A 26 12.252 -34.158 11.206 1.00 0.00 C ATOM 320 CG GLU A 26 12.572 -32.984 12.116 1.00 0.00 C ATOM 321 CD GLU A 26 11.328 -32.327 12.681 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.245 -32.492 12.082 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.438 -31.646 13.722 1.00 0.00 O ATOM 0 H GLU A 26 14.657 -34.079 11.787 1.00 0.00 H new ATOM 0 HA GLU A 26 13.190 -35.460 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.325 -33.950 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.076 -35.043 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.202 -33.327 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.148 -32.245 11.560 1.00 0.00 H new ATOM 330 N LEU A 27 13.934 -32.299 9.265 1.00 0.00 N ATOM 331 CA LEU A 27 13.964 -31.245 8.257 1.00 0.00 C ATOM 332 C LEU A 27 14.666 -31.723 6.990 1.00 0.00 C ATOM 333 O LEU A 27 14.272 -31.369 5.879 1.00 0.00 O ATOM 334 CB LEU A 27 14.670 -30.005 8.808 1.00 0.00 C ATOM 335 CG LEU A 27 14.051 -29.381 10.059 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.257 -27.874 10.062 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.570 -29.719 10.146 1.00 0.00 C ATOM 0 H LEU A 27 14.429 -32.072 10.127 1.00 0.00 H new ATOM 0 HA LEU A 27 12.935 -30.988 8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.704 -30.269 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.697 -29.248 8.024 1.00 0.00 H new ATOM 0 HG LEU A 27 14.550 -29.797 10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.810 -27.447 10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.324 -27.653 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.785 -27.440 9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.146 -29.267 11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.056 -29.332 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.446 -30.801 10.192 1.00 0.00 H new ATOM 349 N ASN A 28 15.707 -32.531 7.165 1.00 0.00 N ATOM 350 CA ASN A 28 16.463 -33.059 6.035 1.00 0.00 C ATOM 351 C ASN A 28 15.691 -34.174 5.337 1.00 0.00 C ATOM 352 O ASN A 28 15.647 -34.237 4.109 1.00 0.00 O ATOM 353 CB ASN A 28 17.823 -33.581 6.504 1.00 0.00 C ATOM 354 CG ASN A 28 18.852 -32.476 6.638 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.879 -32.483 5.960 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.580 -31.518 7.517 1.00 0.00 N ATOM 0 H ASN A 28 16.046 -32.834 8.078 1.00 0.00 H new ATOM 0 HA ASN A 28 16.618 -32.248 5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.705 -34.082 7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.186 -34.328 5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.235 -30.748 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.716 -31.552 8.058 1.00 0.00 H new ATOM 363 N GLU A 29 15.083 -35.051 6.130 1.00 0.00 N ATOM 364 CA GLU A 29 14.312 -36.164 5.587 1.00 0.00 C ATOM 365 C GLU A 29 13.001 -35.673 4.981 1.00 0.00 C ATOM 366 O GLU A 29 12.376 -36.369 4.180 1.00 0.00 O ATOM 367 CB GLU A 29 14.026 -37.196 6.680 1.00 0.00 C ATOM 368 CG GLU A 29 15.248 -38.001 7.092 1.00 0.00 C ATOM 369 CD GLU A 29 14.894 -39.395 7.571 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.364 -39.521 8.694 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.146 -40.361 6.820 1.00 0.00 O ATOM 0 H GLU A 29 15.109 -35.013 7.149 1.00 0.00 H new ATOM 0 HA GLU A 29 14.903 -36.633 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.626 -36.684 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.252 -37.879 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.932 -38.074 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.777 -37.472 7.885 1.00 0.00 H new ATOM 378 N ILE A 30 12.590 -34.471 5.369 1.00 0.00 N ATOM 379 CA ILE A 30 11.354 -33.886 4.864 1.00 0.00 C ATOM 380 C ILE A 30 11.625 -32.963 3.681 1.00 0.00 C ATOM 381 O ILE A 30 11.078 -33.150 2.595 1.00 0.00 O ATOM 382 CB ILE A 30 10.615 -33.095 5.960 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.061 -34.048 7.021 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.497 -32.263 5.351 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.741 -33.369 8.335 1.00 0.00 C ATOM 0 H ILE A 30 13.095 -33.883 6.032 1.00 0.00 H new ATOM 0 HA ILE A 30 10.724 -34.714 4.539 1.00 0.00 H new ATOM 0 HB ILE A 30 11.323 -32.419 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.158 -34.521 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.786 -34.842 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.985 -31.710 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.917 -31.562 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.787 -32.920 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.353 -34.105 9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.647 -32.919 8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.993 -32.594 8.171 1.00 0.00 H new ATOM 397 N PHE A 31 12.476 -31.965 3.900 1.00 0.00 N ATOM 398 CA PHE A 31 12.822 -31.012 2.852 1.00 0.00 C ATOM 399 C PHE A 31 13.911 -31.573 1.944 1.00 0.00 C ATOM 400 O PHE A 31 14.347 -30.917 0.999 1.00 0.00 O ATOM 401 CB PHE A 31 13.286 -29.691 3.469 1.00 0.00 C ATOM 402 CG PHE A 31 12.209 -28.972 4.229 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.786 -29.438 5.464 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.619 -27.831 3.710 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.794 -28.779 6.165 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.627 -27.167 4.407 1.00 0.00 C ATOM 407 CZ PHE A 31 10.215 -27.642 5.637 1.00 0.00 C ATOM 0 H PHE A 31 12.938 -31.796 4.793 1.00 0.00 H new ATOM 0 HA PHE A 31 11.931 -30.831 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.123 -29.887 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.657 -29.040 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.237 -30.326 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.938 -27.456 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.472 -29.153 7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.175 -26.279 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.441 -27.125 6.185 1.00 0.00 H new ATOM 417 N GLY A 32 14.348 -32.794 2.239 1.00 0.00 N ATOM 418 CA GLY A 32 15.384 -33.424 1.441 1.00 0.00 C ATOM 419 C GLY A 32 15.005 -33.529 -0.023 1.00 0.00 C ATOM 420 O GLY A 32 15.681 -32.992 -0.901 1.00 0.00 O ATOM 0 H GLY A 32 14.003 -33.358 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.308 -32.853 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.585 -34.421 1.834 1.00 0.00 H new ATOM 424 N PRO A 33 13.900 -34.235 -0.303 1.00 0.00 N ATOM 425 CA PRO A 33 13.408 -34.426 -1.671 1.00 0.00 C ATOM 426 C PRO A 33 12.856 -33.138 -2.273 1.00 0.00 C ATOM 427 O PRO A 33 11.684 -33.068 -2.646 1.00 0.00 O ATOM 428 CB PRO A 33 12.292 -35.460 -1.506 1.00 0.00 C ATOM 429 CG PRO A 33 11.830 -35.297 -0.099 1.00 0.00 C ATOM 430 CD PRO A 33 13.045 -34.902 0.693 1.00 0.00 C ATOM 0 HA PRO A 33 14.201 -34.740 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.481 -35.283 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.658 -36.470 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.054 -34.535 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.401 -36.224 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.789 -34.233 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.539 -35.770 1.130 1.00 0.00 H new ATOM 438 N PHE A 34 13.706 -32.122 -2.366 1.00 0.00 N ATOM 439 CA PHE A 34 13.303 -30.836 -2.923 1.00 0.00 C ATOM 440 C PHE A 34 14.483 -30.139 -3.594 1.00 0.00 C ATOM 441 O PHE A 34 14.348 -29.567 -4.675 1.00 0.00 O ATOM 442 CB PHE A 34 12.725 -29.940 -1.826 1.00 0.00 C ATOM 443 CG PHE A 34 11.302 -30.267 -1.473 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.374 -30.544 -2.464 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.892 -30.297 -0.150 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.064 -30.844 -2.142 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.583 -30.598 0.179 1.00 0.00 C ATOM 448 CZ PHE A 34 8.668 -30.872 -0.819 1.00 0.00 C ATOM 0 H PHE A 34 14.679 -32.164 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 34 12.536 -31.019 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.342 -30.029 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.781 -28.901 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.678 -30.525 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.603 -30.083 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.350 -31.056 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.277 -30.619 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.645 -31.108 -0.565 1.00 0.00 H new ATOM 458 N GLY A 35 15.642 -30.192 -2.944 1.00 0.00 N ATOM 459 CA GLY A 35 16.829 -29.563 -3.492 1.00 0.00 C ATOM 460 C GLY A 35 17.938 -29.427 -2.468 1.00 0.00 C ATOM 461 O GLY A 35 17.792 -29.813 -1.308 1.00 0.00 O ATOM 0 H GLY A 35 15.780 -30.659 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.189 -30.149 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.569 -28.576 -3.875 1.00 0.00 H new ATOM 465 N PRO A 36 19.080 -28.868 -2.897 1.00 0.00 N ATOM 466 CA PRO A 36 20.241 -28.671 -2.024 1.00 0.00 C ATOM 467 C PRO A 36 19.997 -27.598 -0.968 1.00 0.00 C ATOM 468 O PRO A 36 20.077 -26.404 -1.254 1.00 0.00 O ATOM 469 CB PRO A 36 21.341 -28.228 -2.992 1.00 0.00 C ATOM 470 CG PRO A 36 20.613 -27.620 -4.141 1.00 0.00 C ATOM 471 CD PRO A 36 19.324 -28.385 -4.266 1.00 0.00 C ATOM 0 HA PRO A 36 20.486 -29.572 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.014 -27.509 -2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.950 -29.073 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.423 -26.561 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.200 -27.692 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.512 -27.749 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.413 -29.210 -4.973 1.00 0.00 H new ATOM 479 N MET A 37 19.701 -28.032 0.252 1.00 0.00 N ATOM 480 CA MET A 37 19.448 -27.107 1.351 1.00 0.00 C ATOM 481 C MET A 37 20.730 -26.396 1.770 1.00 0.00 C ATOM 482 O MET A 37 21.636 -27.009 2.335 1.00 0.00 O ATOM 483 CB MET A 37 18.850 -27.853 2.546 1.00 0.00 C ATOM 484 CG MET A 37 17.818 -28.898 2.156 1.00 0.00 C ATOM 485 SD MET A 37 18.447 -30.582 2.297 1.00 0.00 S ATOM 486 CE MET A 37 18.405 -30.811 4.073 1.00 0.00 C ATOM 0 H MET A 37 19.630 -29.018 0.505 1.00 0.00 H new ATOM 0 HA MET A 37 18.735 -26.358 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.654 -28.337 3.100 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.388 -27.132 3.220 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.938 -28.789 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.496 -28.719 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.167 -31.850 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 37 19.378 -30.561 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.644 -30.161 4.506 1.00 0.00 H new ATOM 496 N LYS A 38 20.802 -25.099 1.489 1.00 0.00 N ATOM 497 CA LYS A 38 21.973 -24.304 1.838 1.00 0.00 C ATOM 498 C LYS A 38 22.208 -24.313 3.345 1.00 0.00 C ATOM 499 O LYS A 38 23.348 -24.246 3.804 1.00 0.00 O ATOM 500 CB LYS A 38 21.802 -22.865 1.347 1.00 0.00 C ATOM 501 CG LYS A 38 22.757 -22.486 0.228 1.00 0.00 C ATOM 502 CD LYS A 38 24.088 -21.995 0.773 1.00 0.00 C ATOM 503 CE LYS A 38 25.104 -23.123 0.860 1.00 0.00 C ATOM 504 NZ LYS A 38 26.502 -22.619 0.757 1.00 0.00 N ATOM 0 H LYS A 38 20.062 -24.576 1.020 1.00 0.00 H new ATOM 0 HA LYS A 38 22.841 -24.748 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.778 -22.727 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.949 -22.184 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.923 -23.348 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.306 -21.708 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.475 -21.203 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.940 -21.560 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.978 -23.654 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.917 -23.842 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.165 -23.418 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.630 -22.135 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.689 -21.952 1.533 1.00 0.00 H new ATOM 518 N GLU A 39 21.124 -24.399 4.108 1.00 0.00 N ATOM 519 CA GLU A 39 21.214 -24.418 5.564 1.00 0.00 C ATOM 520 C GLU A 39 19.851 -24.695 6.190 1.00 0.00 C ATOM 521 O GLU A 39 18.815 -24.554 5.539 1.00 0.00 O ATOM 522 CB GLU A 39 21.764 -23.087 6.080 1.00 0.00 C ATOM 523 CG GLU A 39 23.080 -23.221 6.829 1.00 0.00 C ATOM 524 CD GLU A 39 23.590 -21.893 7.354 1.00 0.00 C ATOM 525 OE1 GLU A 39 22.887 -21.273 8.180 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.691 -21.474 6.941 1.00 0.00 O ATOM 0 H GLU A 39 20.173 -24.457 3.743 1.00 0.00 H new ATOM 0 HA GLU A 39 21.895 -25.220 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.903 -22.410 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 39 21.026 -22.629 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.951 -23.911 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.828 -23.657 6.167 1.00 0.00 H new ATOM 533 N VAL A 40 19.858 -25.090 7.459 1.00 0.00 N ATOM 534 CA VAL A 40 18.623 -25.387 8.175 1.00 0.00 C ATOM 535 C VAL A 40 18.752 -25.051 9.656 1.00 0.00 C ATOM 536 O VAL A 40 19.699 -25.472 10.320 1.00 0.00 O ATOM 537 CB VAL A 40 18.231 -26.869 8.028 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.595 -27.122 6.670 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.445 -27.763 8.232 1.00 0.00 C ATOM 0 H VAL A 40 20.706 -25.212 8.013 1.00 0.00 H new ATOM 0 HA VAL A 40 17.844 -24.767 7.732 1.00 0.00 H new ATOM 0 HB VAL A 40 17.496 -27.110 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.325 -28.175 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.700 -26.508 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.304 -26.865 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.150 -28.807 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.204 -27.522 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 40 19.852 -27.602 9.230 1.00 0.00 H new ATOM 549 N LYS A 41 17.792 -24.289 10.170 1.00 0.00 N ATOM 550 CA LYS A 41 17.796 -23.896 11.574 1.00 0.00 C ATOM 551 C LYS A 41 16.597 -24.489 12.308 1.00 0.00 C ATOM 552 O LYS A 41 15.474 -24.459 11.806 1.00 0.00 O ATOM 553 CB LYS A 41 17.780 -22.371 11.699 1.00 0.00 C ATOM 554 CG LYS A 41 18.574 -21.664 10.614 1.00 0.00 C ATOM 555 CD LYS A 41 20.039 -22.068 10.642 1.00 0.00 C ATOM 556 CE LYS A 41 20.686 -21.727 11.975 1.00 0.00 C ATOM 557 NZ LYS A 41 21.944 -20.950 11.798 1.00 0.00 N ATOM 0 H LYS A 41 17.001 -23.931 9.635 1.00 0.00 H new ATOM 0 HA LYS A 41 18.707 -24.282 12.031 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.748 -22.023 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.181 -22.090 12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.149 -21.900 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.491 -20.585 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.126 -23.139 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.572 -21.562 9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.986 -21.152 12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.900 -22.646 12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.355 -20.737 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.621 -21.508 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.736 -20.061 11.300 1.00 0.00 H new ATOM 571 N ILE A 42 16.844 -25.025 13.499 1.00 0.00 N ATOM 572 CA ILE A 42 15.784 -25.622 14.302 1.00 0.00 C ATOM 573 C ILE A 42 15.861 -25.152 15.750 1.00 0.00 C ATOM 574 O ILE A 42 16.773 -25.526 16.489 1.00 0.00 O ATOM 575 CB ILE A 42 15.851 -27.160 14.269 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.283 -27.624 13.995 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.900 -27.710 13.216 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.607 -27.749 12.523 1.00 0.00 C ATOM 0 H ILE A 42 17.768 -25.058 13.929 1.00 0.00 H new ATOM 0 HA ILE A 42 14.838 -25.298 13.867 1.00 0.00 H new ATOM 0 HB ILE A 42 15.545 -27.543 15.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.978 -26.920 14.453 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.442 -28.589 14.477 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.959 -28.798 13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.881 -27.404 13.451 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.178 -27.322 12.236 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.638 -28.082 12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 42 16.936 -28.475 12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.481 -26.781 12.039 1.00 0.00 H new ATOM 590 N LEU A 43 14.897 -24.331 16.152 1.00 0.00 N ATOM 591 CA LEU A 43 14.853 -23.810 17.514 1.00 0.00 C ATOM 592 C LEU A 43 13.519 -24.133 18.178 1.00 0.00 C ATOM 593 O LEU A 43 12.484 -24.200 17.515 1.00 0.00 O ATOM 594 CB LEU A 43 15.081 -22.297 17.510 1.00 0.00 C ATOM 595 CG LEU A 43 16.271 -21.800 16.689 1.00 0.00 C ATOM 596 CD1 LEU A 43 16.003 -20.403 16.152 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.541 -21.816 17.528 1.00 0.00 C ATOM 0 H LEU A 43 14.135 -24.012 15.554 1.00 0.00 H new ATOM 0 HA LEU A 43 15.648 -24.289 18.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.179 -21.815 17.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.213 -21.967 18.540 1.00 0.00 H new ATOM 0 HG LEU A 43 16.410 -22.472 15.842 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.861 -20.066 15.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.118 -20.421 15.516 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.838 -19.719 16.984 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.378 -21.459 16.928 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.413 -21.167 18.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.743 -22.833 17.863 1.00 0.00 H new ATOM 609 N ASN A 44 13.550 -24.331 19.492 1.00 0.00 N ATOM 610 CA ASN A 44 12.342 -24.646 20.246 1.00 0.00 C ATOM 611 C ASN A 44 11.343 -23.495 20.179 1.00 0.00 C ATOM 612 O ASN A 44 11.362 -22.593 21.016 1.00 0.00 O ATOM 613 CB ASN A 44 12.691 -24.949 21.705 1.00 0.00 C ATOM 614 CG ASN A 44 13.777 -26.000 21.833 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.871 -25.721 22.324 1.00 0.00 O ATOM 616 ND2 ASN A 44 13.478 -27.216 21.391 1.00 0.00 N ATOM 0 H ASN A 44 14.398 -24.279 20.056 1.00 0.00 H new ATOM 0 HA ASN A 44 11.884 -25.528 19.798 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.017 -24.032 22.196 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.796 -25.289 22.227 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.168 -27.965 21.451 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.558 -27.401 20.991 1.00 0.00 H new ATOM 623 N GLY A 45 10.471 -23.533 19.176 1.00 0.00 N ATOM 624 CA GLY A 45 9.476 -22.488 19.018 1.00 0.00 C ATOM 625 C GLY A 45 9.276 -22.092 17.569 1.00 0.00 C ATOM 626 O GLY A 45 8.244 -21.525 17.209 1.00 0.00 O ATOM 0 H GLY A 45 10.436 -24.269 18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.527 -22.828 19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.779 -21.612 19.592 1.00 0.00 H new ATOM 630 N PHE A 46 10.266 -22.390 16.734 1.00 0.00 N ATOM 631 CA PHE A 46 10.195 -22.060 15.315 1.00 0.00 C ATOM 632 C PHE A 46 11.301 -22.766 14.536 1.00 0.00 C ATOM 633 O PHE A 46 12.356 -23.084 15.085 1.00 0.00 O ATOM 634 CB PHE A 46 10.303 -20.546 15.117 1.00 0.00 C ATOM 635 CG PHE A 46 11.002 -19.842 16.244 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.316 -20.146 16.560 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.344 -18.876 16.989 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.963 -19.500 17.597 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.986 -18.226 18.026 1.00 0.00 C ATOM 640 CZ PHE A 46 12.296 -18.539 18.332 1.00 0.00 C ATOM 0 H PHE A 46 11.127 -22.859 17.015 1.00 0.00 H new ATOM 0 HA PHE A 46 9.232 -22.402 14.935 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.837 -20.346 14.188 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.302 -20.130 15.005 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.842 -20.897 15.989 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.319 -18.629 16.757 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.988 -19.746 17.832 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.463 -17.473 18.597 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.798 -18.034 19.144 1.00 0.00 H new ATOM 650 N ALA A 47 11.051 -23.009 13.254 1.00 0.00 N ATOM 651 CA ALA A 47 12.025 -23.676 12.398 1.00 0.00 C ATOM 652 C ALA A 47 12.287 -22.869 11.132 1.00 0.00 C ATOM 653 O ALA A 47 11.424 -22.122 10.670 1.00 0.00 O ATOM 654 CB ALA A 47 11.545 -25.076 12.045 1.00 0.00 C ATOM 0 H ALA A 47 10.182 -22.754 12.785 1.00 0.00 H new ATOM 0 HA ALA A 47 12.963 -23.753 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.281 -25.563 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.416 -25.657 12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.593 -25.012 11.518 1.00 0.00 H new ATOM 660 N PHE A 48 13.483 -23.023 10.574 1.00 0.00 N ATOM 661 CA PHE A 48 13.859 -22.307 9.361 1.00 0.00 C ATOM 662 C PHE A 48 14.613 -23.222 8.401 1.00 0.00 C ATOM 663 O PHE A 48 15.333 -24.128 8.824 1.00 0.00 O ATOM 664 CB PHE A 48 14.722 -21.092 9.708 1.00 0.00 C ATOM 665 CG PHE A 48 14.095 -20.183 10.726 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.119 -19.273 10.354 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.482 -20.239 12.055 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.541 -18.435 11.290 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.907 -19.404 12.995 1.00 0.00 C ATOM 670 CZ PHE A 48 12.935 -18.502 12.612 1.00 0.00 C ATOM 0 H PHE A 48 14.209 -23.638 10.943 1.00 0.00 H new ATOM 0 HA PHE A 48 12.946 -21.968 8.871 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.685 -21.436 10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.919 -20.525 8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.806 -19.217 9.322 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.242 -20.943 12.360 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.782 -17.729 10.987 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.218 -19.457 14.028 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.483 -17.850 13.345 1.00 0.00 H new ATOM 680 N VAL A 49 14.443 -22.980 7.105 1.00 0.00 N ATOM 681 CA VAL A 49 15.107 -23.781 6.083 1.00 0.00 C ATOM 682 C VAL A 49 15.512 -22.923 4.889 1.00 0.00 C ATOM 683 O VAL A 49 14.660 -22.405 4.169 1.00 0.00 O ATOM 684 CB VAL A 49 14.203 -24.928 5.594 1.00 0.00 C ATOM 685 CG1 VAL A 49 14.910 -25.746 4.525 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.783 -25.810 6.761 1.00 0.00 C ATOM 0 H VAL A 49 13.851 -22.235 6.738 1.00 0.00 H new ATOM 0 HA VAL A 49 16.001 -24.203 6.543 1.00 0.00 H new ATOM 0 HB VAL A 49 13.305 -24.496 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.256 -26.552 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.156 -25.104 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.826 -26.169 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.145 -26.615 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.669 -26.234 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.234 -25.213 7.489 1.00 0.00 H new ATOM 696 N GLU A 50 16.818 -22.779 4.687 1.00 0.00 N ATOM 697 CA GLU A 50 17.335 -21.984 3.580 1.00 0.00 C ATOM 698 C GLU A 50 17.838 -22.882 2.453 1.00 0.00 C ATOM 699 O GLU A 50 18.854 -23.563 2.594 1.00 0.00 O ATOM 700 CB GLU A 50 18.464 -21.071 4.062 1.00 0.00 C ATOM 701 CG GLU A 50 19.096 -20.246 2.954 1.00 0.00 C ATOM 702 CD GLU A 50 19.833 -19.030 3.480 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.498 -18.568 4.591 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.745 -18.540 2.781 1.00 0.00 O ATOM 0 H GLU A 50 17.536 -23.202 5.275 1.00 0.00 H new ATOM 0 HA GLU A 50 16.520 -21.370 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.075 -20.399 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.235 -21.679 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.789 -20.871 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.321 -19.924 2.259 1.00 0.00 H new ATOM 711 N PHE A 51 17.119 -22.878 1.335 1.00 0.00 N ATOM 712 CA PHE A 51 17.491 -23.693 0.184 1.00 0.00 C ATOM 713 C PHE A 51 18.531 -22.978 -0.675 1.00 0.00 C ATOM 714 O PHE A 51 18.525 -21.753 -0.782 1.00 0.00 O ATOM 715 CB PHE A 51 16.255 -24.019 -0.656 1.00 0.00 C ATOM 716 CG PHE A 51 15.585 -25.304 -0.263 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.180 -26.524 -0.541 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.360 -25.293 0.384 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.565 -27.709 -0.181 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.741 -26.474 0.747 1.00 0.00 C ATOM 721 CZ PHE A 51 14.345 -27.683 0.465 1.00 0.00 C ATOM 0 H PHE A 51 16.276 -22.320 1.202 1.00 0.00 H new ATOM 0 HA PHE A 51 17.927 -24.622 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.539 -23.203 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.543 -24.075 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.135 -26.550 -1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.883 -24.350 0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.038 -28.654 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.786 -26.451 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.864 -28.607 0.749 1.00 0.00 H new ATOM 731 N GLU A 52 19.421 -23.755 -1.283 1.00 0.00 N ATOM 732 CA GLU A 52 20.468 -23.197 -2.131 1.00 0.00 C ATOM 733 C GLU A 52 19.891 -22.708 -3.457 1.00 0.00 C ATOM 734 O GLU A 52 20.600 -22.128 -4.277 1.00 0.00 O ATOM 735 CB GLU A 52 21.556 -24.240 -2.390 1.00 0.00 C ATOM 736 CG GLU A 52 22.834 -23.657 -2.970 1.00 0.00 C ATOM 737 CD GLU A 52 24.021 -24.587 -2.820 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.804 -25.785 -2.540 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.167 -24.119 -2.983 1.00 0.00 O ATOM 0 H GLU A 52 19.438 -24.772 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 52 20.907 -22.347 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.790 -24.748 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.168 -24.995 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.681 -23.437 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.054 -22.711 -2.476 1.00 0.00 H new ATOM 746 N GLU A 53 18.599 -22.949 -3.658 1.00 0.00 N ATOM 747 CA GLU A 53 17.927 -22.535 -4.884 1.00 0.00 C ATOM 748 C GLU A 53 16.544 -21.966 -4.581 1.00 0.00 C ATOM 749 O GLU A 53 15.717 -22.622 -3.949 1.00 0.00 O ATOM 750 CB GLU A 53 17.805 -23.716 -5.849 1.00 0.00 C ATOM 751 CG GLU A 53 19.005 -23.879 -6.767 1.00 0.00 C ATOM 752 CD GLU A 53 19.282 -22.637 -7.590 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.334 -21.860 -7.829 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.447 -22.441 -7.996 1.00 0.00 O ATOM 0 H GLU A 53 17.997 -23.428 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 53 18.527 -21.754 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.671 -24.632 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.909 -23.587 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.885 -24.118 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.834 -24.723 -7.436 1.00 0.00 H new ATOM 761 N ALA A 54 16.301 -20.742 -5.037 1.00 0.00 N ATOM 762 CA ALA A 54 15.019 -20.085 -4.817 1.00 0.00 C ATOM 763 C ALA A 54 13.861 -20.989 -5.226 1.00 0.00 C ATOM 764 O ALA A 54 12.868 -21.104 -4.508 1.00 0.00 O ATOM 765 CB ALA A 54 14.960 -18.771 -5.583 1.00 0.00 C ATOM 0 H ALA A 54 16.976 -20.185 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 54 14.925 -19.877 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.997 -18.291 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.759 -18.114 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.082 -18.965 -6.649 1.00 0.00 H new ATOM 771 N GLU A 55 13.996 -21.629 -6.383 1.00 0.00 N ATOM 772 CA GLU A 55 12.959 -22.523 -6.887 1.00 0.00 C ATOM 773 C GLU A 55 12.636 -23.611 -5.867 1.00 0.00 C ATOM 774 O GLU A 55 11.476 -23.818 -5.511 1.00 0.00 O ATOM 775 CB GLU A 55 13.401 -23.160 -8.206 1.00 0.00 C ATOM 776 CG GLU A 55 12.252 -23.726 -9.023 1.00 0.00 C ATOM 777 CD GLU A 55 12.726 -24.508 -10.233 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.335 -25.582 -10.045 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.487 -24.046 -11.368 1.00 0.00 O ATOM 0 H GLU A 55 14.812 -21.546 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 55 12.059 -21.933 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.927 -22.414 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.113 -23.958 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.646 -24.375 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.608 -22.910 -9.352 1.00 0.00 H new ATOM 786 N SER A 56 13.671 -24.303 -5.401 1.00 0.00 N ATOM 787 CA SER A 56 13.497 -25.373 -4.425 1.00 0.00 C ATOM 788 C SER A 56 12.751 -24.869 -3.193 1.00 0.00 C ATOM 789 O SER A 56 11.898 -25.565 -2.643 1.00 0.00 O ATOM 790 CB SER A 56 14.857 -25.942 -4.014 1.00 0.00 C ATOM 791 OG SER A 56 14.726 -27.261 -3.513 1.00 0.00 O ATOM 0 H SER A 56 14.638 -24.142 -5.683 1.00 0.00 H new ATOM 0 HA SER A 56 12.905 -26.162 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.530 -25.940 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.307 -25.304 -3.254 1.00 0.00 H new ATOM 0 HG SER A 56 14.480 -27.866 -4.244 1.00 0.00 H new ATOM 797 N ALA A 57 13.079 -23.654 -2.767 1.00 0.00 N ATOM 798 CA ALA A 57 12.439 -23.055 -1.602 1.00 0.00 C ATOM 799 C ALA A 57 10.977 -22.728 -1.886 1.00 0.00 C ATOM 800 O ALA A 57 10.084 -23.138 -1.144 1.00 0.00 O ATOM 801 CB ALA A 57 13.188 -21.802 -1.174 1.00 0.00 C ATOM 0 H ALA A 57 13.784 -23.065 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 57 12.471 -23.780 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.699 -21.365 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.216 -22.061 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.186 -21.080 -1.991 1.00 0.00 H new ATOM 807 N ALA A 58 10.739 -21.987 -2.963 1.00 0.00 N ATOM 808 CA ALA A 58 9.385 -21.607 -3.345 1.00 0.00 C ATOM 809 C ALA A 58 8.485 -22.832 -3.470 1.00 0.00 C ATOM 810 O ALA A 58 7.284 -22.762 -3.210 1.00 0.00 O ATOM 811 CB ALA A 58 9.405 -20.828 -4.652 1.00 0.00 C ATOM 0 H ALA A 58 11.467 -21.638 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 58 8.978 -20.969 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.387 -20.550 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.006 -19.927 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.836 -21.448 -5.438 1.00 0.00 H new ATOM 817 N LYS A 59 9.074 -23.954 -3.870 1.00 0.00 N ATOM 818 CA LYS A 59 8.326 -25.196 -4.029 1.00 0.00 C ATOM 819 C LYS A 59 8.051 -25.842 -2.675 1.00 0.00 C ATOM 820 O LYS A 59 6.905 -26.147 -2.344 1.00 0.00 O ATOM 821 CB LYS A 59 9.098 -26.169 -4.923 1.00 0.00 C ATOM 822 CG LYS A 59 8.808 -25.994 -6.404 1.00 0.00 C ATOM 823 CD LYS A 59 7.528 -26.705 -6.809 1.00 0.00 C ATOM 824 CE LYS A 59 7.585 -27.176 -8.254 1.00 0.00 C ATOM 825 NZ LYS A 59 8.571 -28.275 -8.441 1.00 0.00 N ATOM 0 H LYS A 59 10.067 -24.029 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 59 7.372 -24.959 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.166 -26.037 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.853 -27.190 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.725 -24.932 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.642 -26.384 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.362 -27.560 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.680 -26.033 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.597 -27.518 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.849 -26.338 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.314 -28.833 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.520 -27.871 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.569 -28.890 -7.602 1.00 0.00 H new ATOM 839 N ALA A 60 9.108 -26.047 -1.896 1.00 0.00 N ATOM 840 CA ALA A 60 8.979 -26.654 -0.577 1.00 0.00 C ATOM 841 C ALA A 60 7.939 -25.923 0.264 1.00 0.00 C ATOM 842 O ALA A 60 7.253 -26.531 1.087 1.00 0.00 O ATOM 843 CB ALA A 60 10.324 -26.663 0.133 1.00 0.00 C ATOM 0 H ALA A 60 10.063 -25.802 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 60 8.643 -27.683 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.213 -27.119 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.041 -27.236 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.683 -25.640 0.246 1.00 0.00 H new ATOM 849 N ILE A 61 7.827 -24.615 0.054 1.00 0.00 N ATOM 850 CA ILE A 61 6.870 -23.802 0.793 1.00 0.00 C ATOM 851 C ILE A 61 5.438 -24.230 0.493 1.00 0.00 C ATOM 852 O ILE A 61 4.597 -24.290 1.390 1.00 0.00 O ATOM 853 CB ILE A 61 7.028 -22.306 0.461 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.396 -21.800 0.922 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.913 -21.500 1.110 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.913 -20.632 0.113 1.00 0.00 C ATOM 0 H ILE A 61 8.388 -24.096 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 61 7.077 -23.954 1.852 1.00 0.00 H new ATOM 0 HB ILE A 61 6.961 -22.179 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.331 -21.505 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.115 -22.617 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.038 -20.445 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.949 -21.847 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.952 -21.630 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.887 -20.327 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.011 -20.928 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.215 -19.798 0.190 1.00 0.00 H new ATOM 868 N GLU A 62 5.168 -24.528 -0.774 1.00 0.00 N ATOM 869 CA GLU A 62 3.836 -24.951 -1.191 1.00 0.00 C ATOM 870 C GLU A 62 3.662 -26.456 -1.008 1.00 0.00 C ATOM 871 O GLU A 62 2.541 -26.951 -0.891 1.00 0.00 O ATOM 872 CB GLU A 62 3.592 -24.573 -2.653 1.00 0.00 C ATOM 873 CG GLU A 62 2.701 -25.555 -3.396 1.00 0.00 C ATOM 874 CD GLU A 62 2.169 -24.991 -4.698 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.416 -23.996 -4.649 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.505 -25.544 -5.766 1.00 0.00 O ATOM 0 H GLU A 62 5.853 -24.484 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 62 3.106 -24.439 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.139 -23.583 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.551 -24.505 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.263 -26.466 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.864 -25.835 -2.757 1.00 0.00 H new ATOM 883 N GLU A 63 4.778 -27.177 -0.984 1.00 0.00 N ATOM 884 CA GLU A 63 4.748 -28.625 -0.817 1.00 0.00 C ATOM 885 C GLU A 63 4.614 -29.000 0.656 1.00 0.00 C ATOM 886 O GLU A 63 3.596 -29.549 1.078 1.00 0.00 O ATOM 887 CB GLU A 63 6.015 -29.255 -1.400 1.00 0.00 C ATOM 888 CG GLU A 63 6.215 -28.961 -2.878 1.00 0.00 C ATOM 889 CD GLU A 63 5.723 -30.086 -3.768 1.00 0.00 C ATOM 890 OE1 GLU A 63 6.010 -31.260 -3.456 1.00 0.00 O ATOM 891 OE2 GLU A 63 5.049 -29.790 -4.777 1.00 0.00 O ATOM 0 H GLU A 63 5.714 -26.782 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 63 3.880 -29.008 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.880 -28.891 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.974 -30.335 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.689 -28.042 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.274 -28.787 -3.070 1.00 0.00 H new ATOM 898 N VAL A 64 5.648 -28.699 1.435 1.00 0.00 N ATOM 899 CA VAL A 64 5.647 -29.003 2.861 1.00 0.00 C ATOM 900 C VAL A 64 4.394 -28.457 3.537 1.00 0.00 C ATOM 901 O VAL A 64 3.904 -29.027 4.512 1.00 0.00 O ATOM 902 CB VAL A 64 6.890 -28.422 3.560 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.980 -28.924 4.993 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.150 -28.771 2.783 1.00 0.00 C ATOM 0 H VAL A 64 6.498 -28.244 1.102 1.00 0.00 H new ATOM 0 HA VAL A 64 5.663 -30.089 2.954 1.00 0.00 H new ATOM 0 HB VAL A 64 6.797 -27.336 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.864 -28.503 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.090 -28.618 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.050 -30.012 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.019 -28.352 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.252 -29.855 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.084 -28.356 1.777 1.00 0.00 H new ATOM 914 N HIS A 65 3.880 -27.349 3.013 1.00 0.00 N ATOM 915 CA HIS A 65 2.683 -26.725 3.566 1.00 0.00 C ATOM 916 C HIS A 65 1.488 -27.670 3.477 1.00 0.00 C ATOM 917 O HIS A 65 1.068 -28.055 2.387 1.00 0.00 O ATOM 918 CB HIS A 65 2.374 -25.423 2.828 1.00 0.00 C ATOM 919 CG HIS A 65 1.023 -24.860 3.146 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.746 -24.184 4.316 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.132 -24.875 2.440 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.521 -23.808 4.316 1.00 0.00 C ATOM 923 NE2 HIS A 65 -1.076 -24.215 3.188 1.00 0.00 N ATOM 0 H HIS A 65 4.274 -26.865 2.206 1.00 0.00 H new ATOM 0 HA HIS A 65 2.871 -26.502 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.135 -24.684 3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.442 -25.599 1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.283 -25.323 1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.018 -23.261 5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.048 -24.064 2.917 1.00 0.00 H new ATOM 931 N GLY A 66 0.946 -28.041 4.634 1.00 0.00 N ATOM 932 CA GLY A 66 -0.194 -28.938 4.664 1.00 0.00 C ATOM 933 C GLY A 66 0.204 -30.371 4.958 1.00 0.00 C ATOM 934 O GLY A 66 -0.629 -31.277 4.911 1.00 0.00 O ATOM 0 H GLY A 66 1.276 -27.736 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.900 -28.598 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.710 -28.897 3.705 1.00 0.00 H new ATOM 938 N LYS A 67 1.481 -30.579 5.259 1.00 0.00 N ATOM 939 CA LYS A 67 1.990 -31.912 5.561 1.00 0.00 C ATOM 940 C LYS A 67 1.566 -32.352 6.959 1.00 0.00 C ATOM 941 O LYS A 67 0.832 -31.644 7.647 1.00 0.00 O ATOM 942 CB LYS A 67 3.515 -31.936 5.447 1.00 0.00 C ATOM 943 CG LYS A 67 4.020 -31.873 4.016 1.00 0.00 C ATOM 944 CD LYS A 67 3.737 -33.165 3.268 1.00 0.00 C ATOM 945 CE LYS A 67 5.009 -33.966 3.038 1.00 0.00 C ATOM 946 NZ LYS A 67 4.942 -34.765 1.783 1.00 0.00 N ATOM 0 H LYS A 67 2.184 -29.841 5.300 1.00 0.00 H new ATOM 0 HA LYS A 67 1.567 -32.608 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.926 -31.095 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.892 -32.845 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.545 -31.040 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.093 -31.679 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.025 -33.766 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.271 -32.937 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.862 -33.288 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.177 -34.632 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.828 -35.297 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.144 -35.430 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.808 -34.128 0.972 1.00 0.00 H new ATOM 960 N SER A 68 2.035 -33.525 7.372 1.00 0.00 N ATOM 961 CA SER A 68 1.703 -34.061 8.687 1.00 0.00 C ATOM 962 C SER A 68 2.965 -34.457 9.447 1.00 0.00 C ATOM 963 O SER A 68 3.943 -34.912 8.854 1.00 0.00 O ATOM 964 CB SER A 68 0.776 -35.270 8.550 1.00 0.00 C ATOM 965 OG SER A 68 -0.567 -34.863 8.352 1.00 0.00 O ATOM 0 H SER A 68 2.646 -34.122 6.815 1.00 0.00 H new ATOM 0 HA SER A 68 1.190 -33.281 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.100 -35.887 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.844 -35.888 9.446 1.00 0.00 H new ATOM 0 HG SER A 68 -1.139 -35.654 8.266 1.00 0.00 H new ATOM 971 N PHE A 69 2.936 -34.280 10.764 1.00 0.00 N ATOM 972 CA PHE A 69 4.077 -34.617 11.607 1.00 0.00 C ATOM 973 C PHE A 69 3.714 -34.506 13.084 1.00 0.00 C ATOM 974 O PHE A 69 3.005 -33.586 13.493 1.00 0.00 O ATOM 975 CB PHE A 69 5.260 -33.700 11.290 1.00 0.00 C ATOM 976 CG PHE A 69 6.545 -34.135 11.936 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.256 -35.214 11.438 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.042 -33.463 13.041 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.437 -35.617 12.031 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.223 -33.860 13.639 1.00 0.00 C ATOM 981 CZ PHE A 69 8.923 -34.938 13.132 1.00 0.00 C ATOM 0 H PHE A 69 2.134 -33.905 11.271 1.00 0.00 H new ATOM 0 HA PHE A 69 4.360 -35.649 11.398 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.400 -33.661 10.210 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.023 -32.688 11.617 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.883 -35.747 10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.500 -32.618 13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.980 -36.462 11.634 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.598 -33.329 14.501 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.848 -35.249 13.595 1.00 0.00 H new ATOM 991 N ALA A 70 4.204 -35.450 13.881 1.00 0.00 N ATOM 992 CA ALA A 70 3.933 -35.459 15.313 1.00 0.00 C ATOM 993 C ALA A 70 2.436 -35.369 15.589 1.00 0.00 C ATOM 994 O ALA A 70 2.008 -34.706 16.532 1.00 0.00 O ATOM 995 CB ALA A 70 4.667 -34.314 15.995 1.00 0.00 C ATOM 0 H ALA A 70 4.791 -36.219 13.559 1.00 0.00 H new ATOM 0 HA ALA A 70 4.295 -36.403 15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.456 -34.332 17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.740 -34.423 15.835 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.332 -33.366 15.575 1.00 0.00 H new ATOM 1001 N ASN A 71 1.645 -36.041 14.758 1.00 0.00 N ATOM 1002 CA ASN A 71 0.194 -36.036 14.913 1.00 0.00 C ATOM 1003 C ASN A 71 -0.357 -34.616 14.828 1.00 0.00 C ATOM 1004 O ASN A 71 -1.316 -34.270 15.516 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.199 -36.668 16.249 1.00 0.00 C ATOM 1006 CG ASN A 71 0.092 -38.156 16.293 1.00 0.00 C ATOM 1007 OD1 ASN A 71 0.707 -38.652 17.237 1.00 0.00 O ATOM 1008 ND2 ASN A 71 -0.350 -38.876 15.268 1.00 0.00 N ATOM 0 H ASN A 71 1.984 -36.595 13.971 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.235 -36.623 14.101 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.340 -36.171 17.055 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.262 -36.503 16.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.184 -39.882 15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.856 -38.423 14.507 1.00 0.00 H new ATOM 1015 N GLN A 72 0.257 -33.799 13.977 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.173 -32.416 13.802 1.00 0.00 C ATOM 1017 C GLN A 72 0.162 -31.915 12.401 1.00 0.00 C ATOM 1018 O GLN A 72 1.165 -32.302 11.801 1.00 0.00 O ATOM 1019 CB GLN A 72 0.488 -31.518 14.850 1.00 0.00 C ATOM 1020 CG GLN A 72 0.090 -31.854 16.278 1.00 0.00 C ATOM 1021 CD GLN A 72 -1.393 -31.666 16.529 1.00 0.00 C ATOM 1022 OE1 GLN A 72 -2.050 -30.864 15.865 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -1.929 -32.407 17.492 1.00 0.00 N ATOM 0 H GLN A 72 1.052 -34.070 13.399 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.255 -32.379 13.932 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.571 -31.599 14.755 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.227 -30.480 14.644 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.363 -32.887 16.494 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.654 -31.224 16.966 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.347 -33.059 18.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.923 -32.324 17.706 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.696 -31.034 11.867 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.512 -30.461 10.530 1.00 0.00 C ATOM 1034 C PRO A 73 0.668 -29.497 10.470 1.00 0.00 C ATOM 1035 O PRO A 73 0.756 -28.558 11.261 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.825 -29.715 10.280 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.342 -29.393 11.639 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.912 -30.529 12.526 1.00 0.00 C ATOM 0 HA PRO A 73 -0.292 -31.226 9.785 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.661 -28.811 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.531 -30.332 9.724 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.938 -28.445 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.427 -29.294 11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.708 -30.191 13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.681 -31.298 12.595 1.00 0.00 H new ATOM 1046 N LEU A 74 1.573 -29.735 9.527 1.00 0.00 N ATOM 1047 CA LEU A 74 2.749 -28.887 9.363 1.00 0.00 C ATOM 1048 C LEU A 74 2.404 -27.623 8.581 1.00 0.00 C ATOM 1049 O LEU A 74 1.423 -27.590 7.839 1.00 0.00 O ATOM 1050 CB LEU A 74 3.860 -29.656 8.647 1.00 0.00 C ATOM 1051 CG LEU A 74 4.709 -30.579 9.522 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.780 -31.267 8.690 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.339 -29.799 10.666 1.00 0.00 C ATOM 0 H LEU A 74 1.515 -30.508 8.864 1.00 0.00 H new ATOM 0 HA LEU A 74 3.098 -28.595 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.409 -30.253 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.521 -28.935 8.166 1.00 0.00 H new ATOM 0 HG LEU A 74 4.059 -31.345 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.374 -31.920 9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.307 -31.859 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.427 -30.516 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.939 -30.472 11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.975 -29.011 10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.555 -29.354 11.278 1.00 0.00 H new ATOM 1065 N GLU A 75 3.218 -26.587 8.753 1.00 0.00 N ATOM 1066 CA GLU A 75 2.999 -25.322 8.062 1.00 0.00 C ATOM 1067 C GLU A 75 4.327 -24.648 7.726 1.00 0.00 C ATOM 1068 O GLU A 75 5.193 -24.495 8.587 1.00 0.00 O ATOM 1069 CB GLU A 75 2.143 -24.388 8.921 1.00 0.00 C ATOM 1070 CG GLU A 75 1.121 -25.115 9.778 1.00 0.00 C ATOM 1071 CD GLU A 75 0.073 -24.183 10.353 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.113 -23.082 9.794 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.562 -24.555 11.362 1.00 0.00 O ATOM 0 H GLU A 75 4.034 -26.598 9.364 1.00 0.00 H new ATOM 0 HA GLU A 75 2.473 -25.532 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.796 -23.803 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.624 -23.684 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.630 -25.882 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.634 -25.626 10.593 1.00 0.00 H new ATOM 1080 N VAL A 76 4.478 -24.247 6.468 1.00 0.00 N ATOM 1081 CA VAL A 76 5.699 -23.589 6.018 1.00 0.00 C ATOM 1082 C VAL A 76 5.382 -22.391 5.130 1.00 0.00 C ATOM 1083 O VAL A 76 4.469 -22.439 4.306 1.00 0.00 O ATOM 1084 CB VAL A 76 6.608 -24.562 5.242 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.009 -23.987 5.103 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.645 -25.918 5.930 1.00 0.00 C ATOM 0 H VAL A 76 3.771 -24.366 5.743 1.00 0.00 H new ATOM 0 HA VAL A 76 6.222 -23.248 6.911 1.00 0.00 H new ATOM 0 HB VAL A 76 6.196 -24.698 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.637 -24.688 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.962 -23.041 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.434 -23.820 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.291 -26.593 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.033 -25.802 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.638 -26.332 5.973 1.00 0.00 H new ATOM 1096 N VAL A 77 6.143 -21.314 5.305 1.00 0.00 N ATOM 1097 CA VAL A 77 5.944 -20.103 4.519 1.00 0.00 C ATOM 1098 C VAL A 77 7.275 -19.429 4.203 1.00 0.00 C ATOM 1099 O VAL A 77 8.320 -19.820 4.723 1.00 0.00 O ATOM 1100 CB VAL A 77 5.035 -19.100 5.253 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.720 -19.757 5.643 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.742 -18.537 6.477 1.00 0.00 C ATOM 0 H VAL A 77 6.902 -21.257 5.984 1.00 0.00 H new ATOM 0 HA VAL A 77 5.462 -20.405 3.589 1.00 0.00 H new ATOM 0 HB VAL A 77 4.815 -18.274 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.091 -19.033 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.208 -20.107 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.917 -20.603 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.085 -17.830 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.994 -19.350 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.654 -18.027 6.168 1.00 0.00 H new ATOM 1112 N TYR A 78 7.229 -18.414 3.347 1.00 0.00 N ATOM 1113 CA TYR A 78 8.431 -17.685 2.960 1.00 0.00 C ATOM 1114 C TYR A 78 8.934 -16.815 4.107 1.00 0.00 C ATOM 1115 O TYR A 78 8.389 -15.743 4.373 1.00 0.00 O ATOM 1116 CB TYR A 78 8.154 -16.819 1.730 1.00 0.00 C ATOM 1117 CG TYR A 78 8.829 -17.318 0.473 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.209 -17.474 0.416 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.087 -17.635 -0.658 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.829 -17.929 -0.731 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.699 -18.092 -1.809 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.070 -18.237 -1.841 1.00 0.00 C ATOM 1123 OH TYR A 78 10.685 -18.691 -2.985 1.00 0.00 O ATOM 0 H TYR A 78 6.372 -18.077 2.908 1.00 0.00 H new ATOM 0 HA TYR A 78 9.204 -18.414 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.078 -16.776 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.486 -15.801 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.806 -17.235 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.013 -17.522 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.903 -18.043 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.107 -18.334 -2.679 1.00 0.00 H new ATOM 0 HH TYR A 78 11.501 -19.178 -2.746 1.00 0.00 H new ATOM 1133 N SER A 79 9.979 -17.283 4.783 1.00 0.00 N ATOM 1134 CA SER A 79 10.555 -16.550 5.904 1.00 0.00 C ATOM 1135 C SER A 79 10.850 -15.105 5.514 1.00 0.00 C ATOM 1136 O SER A 79 11.577 -14.844 4.554 1.00 0.00 O ATOM 1137 CB SER A 79 11.837 -17.233 6.383 1.00 0.00 C ATOM 1138 OG SER A 79 11.884 -18.584 5.958 1.00 0.00 O ATOM 0 H SER A 79 10.444 -18.167 4.574 1.00 0.00 H new ATOM 0 HA SER A 79 9.828 -16.548 6.716 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.704 -16.697 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.892 -17.188 7.471 1.00 0.00 H new ATOM 0 HG SER A 79 12.714 -18.998 6.275 1.00 0.00 H new ATOM 1144 N LYS A 80 10.282 -14.168 6.265 1.00 0.00 N ATOM 1145 CA LYS A 80 10.483 -12.748 6.001 1.00 0.00 C ATOM 1146 C LYS A 80 11.959 -12.378 6.115 1.00 0.00 C ATOM 1147 O LYS A 80 12.659 -12.847 7.013 1.00 0.00 O ATOM 1148 CB LYS A 80 9.658 -11.905 6.975 1.00 0.00 C ATOM 1149 CG LYS A 80 9.958 -12.195 8.435 1.00 0.00 C ATOM 1150 CD LYS A 80 8.804 -11.782 9.334 1.00 0.00 C ATOM 1151 CE LYS A 80 9.141 -11.987 10.803 1.00 0.00 C ATOM 1152 NZ LYS A 80 10.331 -11.193 11.216 1.00 0.00 N ATOM 0 H LYS A 80 9.678 -14.367 7.063 1.00 0.00 H new ATOM 0 HA LYS A 80 10.152 -12.542 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.845 -10.850 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.599 -12.082 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.157 -13.259 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.862 -11.664 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.561 -10.734 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.917 -12.362 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.285 -11.703 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.328 -13.045 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.370 -11.140 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.194 -11.651 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.261 -10.233 10.823 1.00 0.00 H new