USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 626 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 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.9!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.0461 (180deg=-0.382) USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= -0.716 (180deg=-2.97!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -1.98 F(o=-3.9,f=-2) USER MOD Single : A 31 GLN : amide:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 36 HIS : no HD1:sc=-0.00237 X(o=-0.0024,f=-0.3) USER MOD Single : A 37 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0242 (180deg=-0.399) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 47 SER OG : rot -26:sc= 0.226 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.106) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-4.5!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -111:sc= 1.37 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.294 F(o=-1.8!,f=-0.29) USER MOD Single : A 68 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.64) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00225 K(o=-0.0023,f=-0.91) USER MOD Single : A 76 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.31) USER MOD Single : A 78 THR OG1 : rot -112:sc= -0.328 USER MOD Single : A 79 SER OG : rot 109:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -5.870 -0.467 19.947 1.00 0.00 N ATOM 45 CA ILE A 4 -6.757 -1.506 19.427 1.00 0.00 C ATOM 46 C ILE A 4 -7.133 -1.208 17.985 1.00 0.00 C ATOM 47 O ILE A 4 -7.022 -0.071 17.524 1.00 0.00 O ATOM 48 CB ILE A 4 -8.013 -1.604 20.277 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.649 -2.079 21.687 1.00 0.00 C ATOM 50 CG2 ILE A 4 -8.989 -2.600 19.643 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.856 -1.921 22.612 1.00 0.00 C ATOM 0 HA ILE A 4 -6.229 -2.459 19.465 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.481 -0.621 20.335 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.334 -3.122 21.660 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.807 -1.502 22.070 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.888 -2.668 20.255 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.256 -2.261 18.642 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.518 -3.581 19.580 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.593 -2.260 23.614 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.151 -0.872 22.649 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.685 -2.518 22.233 1.00 0.00 H new ATOM 63 N PHE A 5 -7.574 -2.239 17.267 1.00 0.00 N ATOM 64 CA PHE A 5 -7.961 -2.073 15.865 1.00 0.00 C ATOM 65 C PHE A 5 -9.468 -1.871 15.751 1.00 0.00 C ATOM 66 O PHE A 5 -10.252 -2.754 16.096 1.00 0.00 O ATOM 67 CB PHE A 5 -7.548 -3.312 15.064 1.00 0.00 C ATOM 68 CG PHE A 5 -6.056 -3.291 14.825 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.174 -3.418 15.908 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.553 -3.134 13.528 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.791 -3.392 15.688 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.173 -3.109 13.312 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.292 -3.236 14.390 1.00 0.00 C ATOM 0 H PHE A 5 -7.672 -3.189 17.626 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.455 -1.194 15.464 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.826 -4.216 15.605 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.078 -3.335 14.112 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.560 -3.536 16.910 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.232 -3.032 12.694 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.110 -3.492 16.520 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.786 -2.991 12.311 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.226 -3.214 14.221 1.00 0.00 H new ATOM 83 N THR A 6 -9.863 -0.703 15.256 1.00 0.00 N ATOM 84 CA THR A 6 -11.280 -0.394 15.092 1.00 0.00 C ATOM 85 C THR A 6 -11.822 -1.041 13.823 1.00 0.00 C ATOM 86 O THR A 6 -11.060 -1.463 12.959 1.00 0.00 O ATOM 87 CB THR A 6 -11.478 1.122 15.021 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.523 1.682 14.129 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.297 1.728 16.412 1.00 0.00 C ATOM 0 H THR A 6 -9.229 0.040 14.963 1.00 0.00 H new ATOM 0 HA THR A 6 -11.824 -0.790 15.950 1.00 0.00 H new ATOM 0 HB THR A 6 -12.483 1.341 14.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.650 2.653 14.081 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.438 2.808 16.360 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.031 1.299 17.094 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.293 1.511 16.776 1.00 0.00 H new ATOM 97 N VAL A 7 -13.144 -1.111 13.721 1.00 0.00 N ATOM 98 CA VAL A 7 -13.780 -1.711 12.553 1.00 0.00 C ATOM 99 C VAL A 7 -13.413 -0.944 11.288 1.00 0.00 C ATOM 100 O VAL A 7 -13.371 -1.512 10.197 1.00 0.00 O ATOM 101 CB VAL A 7 -15.300 -1.710 12.729 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.673 -2.535 13.962 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.790 -0.272 12.911 1.00 0.00 C ATOM 0 H VAL A 7 -13.793 -0.763 14.427 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.425 -2.737 12.457 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.768 -2.146 11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.756 -2.534 14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.324 -3.559 13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.206 -2.100 14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.873 -0.270 13.036 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.321 0.163 13.794 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.525 0.317 12.033 1.00 0.00 H new ATOM 113 N GLN A 8 -13.151 0.349 11.440 1.00 0.00 N ATOM 114 CA GLN A 8 -12.792 1.186 10.302 1.00 0.00 C ATOM 115 C GLN A 8 -11.564 0.629 9.590 1.00 0.00 C ATOM 116 O GLN A 8 -11.483 0.648 8.362 1.00 0.00 O ATOM 117 CB GLN A 8 -12.512 2.614 10.771 1.00 0.00 C ATOM 118 CG GLN A 8 -12.311 3.521 9.554 1.00 0.00 C ATOM 119 CD GLN A 8 -12.136 4.967 10.006 1.00 0.00 C ATOM 120 OE1 GLN A 8 -11.396 5.238 10.951 1.00 0.00 O ATOM 121 NE2 GLN A 8 -12.779 5.918 9.384 1.00 0.00 N ATOM 0 H GLN A 8 -13.180 0.838 12.335 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.628 1.192 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.342 2.979 11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.624 2.633 11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.435 3.199 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.168 3.441 8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.392 5.691 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.668 6.887 9.681 1.00 0.00 H new ATOM 130 N GLU A 9 -10.608 0.134 10.370 1.00 0.00 N ATOM 131 CA GLU A 9 -9.386 -0.426 9.804 1.00 0.00 C ATOM 132 C GLU A 9 -9.686 -1.718 9.052 1.00 0.00 C ATOM 133 O GLU A 9 -9.134 -1.968 7.981 1.00 0.00 O ATOM 134 CB GLU A 9 -8.376 -0.702 10.919 1.00 0.00 C ATOM 135 CG GLU A 9 -7.898 0.625 11.513 1.00 0.00 C ATOM 136 CD GLU A 9 -7.006 0.363 12.722 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.778 -0.793 13.025 1.00 0.00 O ATOM 138 OE2 GLU A 9 -6.566 1.325 13.329 1.00 0.00 O ATOM 0 H GLU A 9 -10.655 0.109 11.389 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.966 0.296 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.833 -1.316 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.528 -1.263 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.349 1.193 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.755 1.231 11.807 1.00 0.00 H new ATOM 145 N LEU A 10 -10.561 -2.538 9.620 1.00 0.00 N ATOM 146 CA LEU A 10 -10.925 -3.801 8.992 1.00 0.00 C ATOM 147 C LEU A 10 -11.644 -3.567 7.674 1.00 0.00 C ATOM 148 O LEU A 10 -11.392 -4.267 6.690 1.00 0.00 O ATOM 149 CB LEU A 10 -11.827 -4.611 9.940 1.00 0.00 C ATOM 150 CG LEU A 10 -10.960 -5.344 10.974 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.147 -6.463 10.288 1.00 0.00 C ATOM 152 CD2 LEU A 10 -10.002 -4.342 11.639 1.00 0.00 C ATOM 0 H LEU A 10 -11.029 -2.353 10.508 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.011 -4.359 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.530 -3.948 10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.418 -5.329 9.371 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.606 -5.790 11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.536 -6.976 11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.829 -7.176 9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.502 -6.028 9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.386 -4.860 12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.361 -3.892 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.579 -3.562 12.135 1.00 0.00 H new ATOM 164 N LYS A 11 -12.540 -2.594 7.663 1.00 0.00 N ATOM 165 CA LYS A 11 -13.294 -2.286 6.457 1.00 0.00 C ATOM 166 C LYS A 11 -12.362 -1.863 5.330 1.00 0.00 C ATOM 167 O LYS A 11 -12.517 -2.298 4.189 1.00 0.00 O ATOM 168 CB LYS A 11 -14.295 -1.167 6.739 1.00 0.00 C ATOM 169 CG LYS A 11 -15.431 -1.698 7.620 1.00 0.00 C ATOM 170 CD LYS A 11 -16.551 -0.655 7.705 1.00 0.00 C ATOM 171 CE LYS A 11 -16.112 0.508 8.596 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.289 1.361 8.911 1.00 0.00 N ATOM 0 H LYS A 11 -12.763 -2.008 8.467 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.829 -3.185 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.795 -0.336 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.698 -0.782 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.819 -2.629 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.055 -1.924 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.795 -0.289 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.455 -1.112 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.668 0.128 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.346 1.098 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.992 2.152 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.694 1.734 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.005 0.794 9.408 1.00 0.00 H new ATOM 186 N GLU A 12 -11.390 -1.019 5.657 1.00 0.00 N ATOM 187 CA GLU A 12 -10.433 -0.548 4.661 1.00 0.00 C ATOM 188 C GLU A 12 -9.576 -1.703 4.153 1.00 0.00 C ATOM 189 O GLU A 12 -9.313 -1.813 2.956 1.00 0.00 O ATOM 190 CB GLU A 12 -9.536 0.530 5.270 1.00 0.00 C ATOM 191 CG GLU A 12 -10.362 1.788 5.544 1.00 0.00 C ATOM 192 CD GLU A 12 -9.496 2.842 6.226 1.00 0.00 C ATOM 193 OE1 GLU A 12 -8.314 2.591 6.394 1.00 0.00 O ATOM 194 OE2 GLU A 12 -10.029 3.883 6.572 1.00 0.00 O ATOM 0 H GLU A 12 -11.244 -0.649 6.596 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.986 -0.127 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.090 0.166 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.716 0.762 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.760 2.182 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.215 1.542 6.176 1.00 0.00 H new ATOM 201 N ARG A 13 -9.148 -2.563 5.068 1.00 0.00 N ATOM 202 CA ARG A 13 -8.325 -3.711 4.703 1.00 0.00 C ATOM 203 C ARG A 13 -9.141 -4.732 3.925 1.00 0.00 C ATOM 204 O ARG A 13 -8.626 -5.395 3.024 1.00 0.00 O ATOM 205 CB ARG A 13 -7.747 -4.359 5.963 1.00 0.00 C ATOM 206 CG ARG A 13 -6.825 -3.364 6.685 1.00 0.00 C ATOM 207 CD ARG A 13 -5.439 -3.364 6.030 1.00 0.00 C ATOM 208 NE ARG A 13 -4.535 -2.498 6.772 1.00 0.00 N ATOM 209 CZ ARG A 13 -4.439 -1.201 6.489 1.00 0.00 C ATOM 210 NH1 ARG A 13 -5.168 -0.685 5.537 1.00 0.00 N ATOM 211 NH2 ARG A 13 -3.616 -0.449 7.163 1.00 0.00 N ATOM 0 H ARG A 13 -9.355 -2.489 6.064 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.509 -3.364 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.554 -4.668 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.190 -5.258 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.255 -2.363 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.739 -3.633 7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.042 -4.379 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.516 -3.023 4.998 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.966 -2.891 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.811 -1.276 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.094 0.309 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.047 -0.854 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.541 0.545 6.948 1.00 0.00 H new ATOM 225 N ALA A 14 -10.410 -4.860 4.285 1.00 0.00 N ATOM 226 CA ALA A 14 -11.290 -5.814 3.620 1.00 0.00 C ATOM 227 C ALA A 14 -11.552 -5.383 2.180 1.00 0.00 C ATOM 228 O ALA A 14 -12.114 -6.140 1.389 1.00 0.00 O ATOM 229 CB ALA A 14 -12.618 -5.913 4.373 1.00 0.00 C ATOM 0 H ALA A 14 -10.852 -4.320 5.029 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.802 -6.789 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.269 -6.628 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.433 -6.247 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.099 -4.935 4.393 1.00 0.00 H new ATOM 235 N LYS A 15 -11.143 -4.163 1.848 1.00 0.00 N ATOM 236 CA LYS A 15 -11.339 -3.644 0.497 1.00 0.00 C ATOM 237 C LYS A 15 -10.804 -4.630 -0.537 1.00 0.00 C ATOM 238 O LYS A 15 -11.090 -4.515 -1.729 1.00 0.00 O ATOM 239 CB LYS A 15 -10.622 -2.299 0.344 1.00 0.00 C ATOM 240 CG LYS A 15 -11.031 -1.646 -0.975 1.00 0.00 C ATOM 241 CD LYS A 15 -10.420 -0.248 -1.063 1.00 0.00 C ATOM 242 CE LYS A 15 -10.795 0.385 -2.400 1.00 0.00 C ATOM 243 NZ LYS A 15 -12.269 0.606 -2.455 1.00 0.00 N ATOM 0 H LYS A 15 -10.678 -3.519 2.488 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.407 -3.505 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.874 -1.645 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.542 -2.446 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.695 -2.255 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.117 -1.584 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.780 0.371 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.336 -0.306 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.271 1.332 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.484 -0.262 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.489 1.294 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.748 -0.294 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.600 0.972 -1.539 1.00 0.00 H new ATOM 257 N VAL A 16 -10.028 -5.603 -0.076 1.00 0.00 N ATOM 258 CA VAL A 16 -9.456 -6.600 -0.973 1.00 0.00 C ATOM 259 C VAL A 16 -10.550 -7.497 -1.536 1.00 0.00 C ATOM 260 O VAL A 16 -10.544 -7.825 -2.721 1.00 0.00 O ATOM 261 CB VAL A 16 -8.427 -7.451 -0.226 1.00 0.00 C ATOM 262 CG1 VAL A 16 -7.929 -8.574 -1.137 1.00 0.00 C ATOM 263 CG2 VAL A 16 -7.249 -6.571 0.191 1.00 0.00 C ATOM 0 H VAL A 16 -9.781 -5.723 0.906 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.964 -6.082 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.890 -7.885 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.196 -9.178 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.769 -9.201 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.466 -8.144 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.514 -7.175 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.788 -6.137 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.604 -5.773 0.843 1.00 0.00 H new ATOM 273 N PHE A 17 -11.485 -7.900 -0.679 1.00 0.00 N ATOM 274 CA PHE A 17 -12.586 -8.770 -1.098 1.00 0.00 C ATOM 275 C PHE A 17 -13.924 -8.158 -0.711 1.00 0.00 C ATOM 276 O PHE A 17 -14.002 -7.329 0.196 1.00 0.00 O ATOM 277 CB PHE A 17 -12.440 -10.143 -0.444 1.00 0.00 C ATOM 278 CG PHE A 17 -12.459 -9.993 1.058 1.00 0.00 C ATOM 279 CD1 PHE A 17 -11.275 -9.715 1.749 1.00 0.00 C ATOM 280 CD2 PHE A 17 -13.661 -10.133 1.761 1.00 0.00 C ATOM 281 CE1 PHE A 17 -11.291 -9.576 3.141 1.00 0.00 C ATOM 282 CE2 PHE A 17 -13.679 -9.994 3.154 1.00 0.00 C ATOM 283 CZ PHE A 17 -12.493 -9.715 3.844 1.00 0.00 C ATOM 0 H PHE A 17 -11.504 -7.640 0.307 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.550 -8.879 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.250 -10.798 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.508 -10.611 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.347 -9.607 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.576 -10.348 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.376 -9.361 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.607 -10.102 3.696 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.506 -9.607 4.919 1.00 0.00 H new ATOM 293 N ALA A 18 -14.978 -8.567 -1.411 1.00 0.00 N ATOM 294 CA ALA A 18 -16.315 -8.050 -1.137 1.00 0.00 C ATOM 295 C ALA A 18 -16.560 -7.954 0.364 1.00 0.00 C ATOM 296 O ALA A 18 -16.456 -8.946 1.087 1.00 0.00 O ATOM 297 CB ALA A 18 -17.366 -8.965 -1.765 1.00 0.00 C ATOM 0 H ALA A 18 -14.933 -9.250 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.391 -7.053 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.361 -8.573 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.212 -9.009 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.275 -9.966 -1.344 1.00 0.00 H new ATOM 303 N LYS A 19 -16.874 -6.751 0.829 1.00 0.00 N ATOM 304 CA LYS A 19 -17.115 -6.537 2.243 1.00 0.00 C ATOM 305 C LYS A 19 -18.074 -7.585 2.797 1.00 0.00 C ATOM 306 O LYS A 19 -18.961 -8.058 2.086 1.00 0.00 O ATOM 307 CB LYS A 19 -17.698 -5.139 2.472 1.00 0.00 C ATOM 308 CG LYS A 19 -16.659 -4.069 2.066 1.00 0.00 C ATOM 309 CD LYS A 19 -16.633 -2.953 3.108 1.00 0.00 C ATOM 310 CE LYS A 19 -15.649 -1.875 2.670 1.00 0.00 C ATOM 311 NZ LYS A 19 -15.760 -0.704 3.583 1.00 0.00 N ATOM 0 H LYS A 19 -16.966 -5.917 0.249 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.162 -6.625 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.610 -5.014 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.971 -5.015 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.671 -4.522 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.908 -3.660 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.629 -2.526 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.342 -3.354 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.632 -2.267 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.858 -1.571 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.811 -0.326 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.340 0.033 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.206 -1.000 4.475 1.00 0.00 H new ATOM 325 N PRO A 20 -17.920 -7.946 4.045 1.00 0.00 N ATOM 326 CA PRO A 20 -18.795 -8.959 4.704 1.00 0.00 C ATOM 327 C PRO A 20 -20.232 -8.463 4.851 1.00 0.00 C ATOM 328 O PRO A 20 -20.471 -7.276 5.068 1.00 0.00 O ATOM 329 CB PRO A 20 -18.134 -9.175 6.075 1.00 0.00 C ATOM 330 CG PRO A 20 -17.351 -7.927 6.332 1.00 0.00 C ATOM 331 CD PRO A 20 -16.894 -7.432 4.972 1.00 0.00 C ATOM 0 HA PRO A 20 -18.875 -9.877 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.881 -9.338 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.486 -10.052 6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.964 -7.178 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.498 -8.128 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.837 -6.344 4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.903 -7.811 4.721 1.00 0.00 H new ATOM 339 N ILE A 21 -21.180 -9.386 4.744 1.00 0.00 N ATOM 340 CA ILE A 21 -22.589 -9.038 4.878 1.00 0.00 C ATOM 341 C ILE A 21 -22.963 -8.869 6.348 1.00 0.00 C ATOM 342 O ILE A 21 -22.323 -9.438 7.232 1.00 0.00 O ATOM 343 CB ILE A 21 -23.459 -10.126 4.249 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.174 -10.197 2.747 1.00 0.00 C ATOM 345 CG2 ILE A 21 -24.935 -9.792 4.471 1.00 0.00 C ATOM 346 CD1 ILE A 21 -23.823 -11.453 2.162 1.00 0.00 C ATOM 0 H ILE A 21 -21.001 -10.374 4.566 1.00 0.00 H new ATOM 0 HA ILE A 21 -22.760 -8.094 4.361 1.00 0.00 H new ATOM 0 HB ILE A 21 -23.231 -11.087 4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.564 -9.309 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -22.098 -10.215 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -25.555 -10.568 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -25.139 -9.738 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -25.164 -8.832 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.620 -11.503 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -23.412 -12.336 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.900 -11.416 2.325 1.00 0.00 H new ATOM 358 N GLY A 22 -24.004 -8.083 6.602 1.00 0.00 N ATOM 359 CA GLY A 22 -24.455 -7.844 7.967 1.00 0.00 C ATOM 360 C GLY A 22 -25.155 -9.075 8.535 1.00 0.00 C ATOM 361 O GLY A 22 -26.073 -8.961 9.346 1.00 0.00 O ATOM 0 H GLY A 22 -24.548 -7.603 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.603 -7.584 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.136 -6.993 7.985 1.00 0.00 H new ATOM 365 N ALA A 23 -24.709 -10.252 8.107 1.00 0.00 N ATOM 366 CA ALA A 23 -25.296 -11.500 8.582 1.00 0.00 C ATOM 367 C ALA A 23 -24.840 -11.796 10.007 1.00 0.00 C ATOM 368 O ALA A 23 -24.418 -10.896 10.734 1.00 0.00 O ATOM 369 CB ALA A 23 -24.884 -12.651 7.664 1.00 0.00 C ATOM 0 H ALA A 23 -23.949 -10.368 7.437 1.00 0.00 H new ATOM 0 HA ALA A 23 -26.381 -11.398 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.326 -13.580 8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -25.234 -12.452 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.798 -12.743 7.661 1.00 0.00 H new ATOM 375 N SER A 24 -24.928 -13.063 10.400 1.00 0.00 N ATOM 376 CA SER A 24 -24.519 -13.467 11.741 1.00 0.00 C ATOM 377 C SER A 24 -22.998 -13.499 11.849 1.00 0.00 C ATOM 378 O SER A 24 -22.445 -13.473 12.950 1.00 0.00 O ATOM 379 CB SER A 24 -25.085 -14.851 12.063 1.00 0.00 C ATOM 380 OG SER A 24 -24.612 -15.785 11.102 1.00 0.00 O ATOM 0 H SER A 24 -25.276 -13.822 9.814 1.00 0.00 H new ATOM 0 HA SER A 24 -24.907 -12.741 12.455 1.00 0.00 H new ATOM 0 HB2 SER A 24 -24.782 -15.157 13.064 1.00 0.00 H new ATOM 0 HB3 SER A 24 -26.175 -14.822 12.054 1.00 0.00 H new ATOM 0 HG SER A 24 -24.971 -16.674 11.305 1.00 0.00 H new ATOM 386 N TYR A 25 -22.328 -13.551 10.704 1.00 0.00 N ATOM 387 CA TYR A 25 -20.870 -13.581 10.682 1.00 0.00 C ATOM 388 C TYR A 25 -20.303 -12.194 10.969 1.00 0.00 C ATOM 389 O TYR A 25 -19.152 -12.056 11.378 1.00 0.00 O ATOM 390 CB TYR A 25 -20.376 -14.068 9.319 1.00 0.00 C ATOM 391 CG TYR A 25 -20.869 -15.474 9.077 1.00 0.00 C ATOM 392 CD1 TYR A 25 -22.103 -15.684 8.450 1.00 0.00 C ATOM 393 CD2 TYR A 25 -20.096 -16.567 9.484 1.00 0.00 C ATOM 394 CE1 TYR A 25 -22.562 -16.986 8.226 1.00 0.00 C ATOM 395 CE2 TYR A 25 -20.555 -17.871 9.260 1.00 0.00 C ATOM 396 CZ TYR A 25 -21.789 -18.080 8.631 1.00 0.00 C ATOM 397 OH TYR A 25 -22.241 -19.366 8.410 1.00 0.00 O ATOM 0 H TYR A 25 -22.767 -13.573 9.784 1.00 0.00 H new ATOM 0 HA TYR A 25 -20.527 -14.268 11.455 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.735 -13.405 8.532 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.287 -14.042 9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.701 -14.840 8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.146 -16.405 9.971 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.513 -17.147 7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -19.958 -18.715 9.572 1.00 0.00 H new ATOM 0 HH TYR A 25 -21.583 -20.007 8.751 1.00 0.00 H new ATOM 407 N GLN A 26 -21.118 -11.169 10.745 1.00 0.00 N ATOM 408 CA GLN A 26 -20.682 -9.796 10.977 1.00 0.00 C ATOM 409 C GLN A 26 -20.395 -9.571 12.460 1.00 0.00 C ATOM 410 O GLN A 26 -19.724 -8.611 12.835 1.00 0.00 O ATOM 411 CB GLN A 26 -21.766 -8.820 10.510 1.00 0.00 C ATOM 412 CG GLN A 26 -21.171 -7.417 10.364 1.00 0.00 C ATOM 413 CD GLN A 26 -20.203 -7.383 9.185 1.00 0.00 C ATOM 414 OE1 GLN A 26 -19.064 -6.757 9.305 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -20.488 -7.950 8.132 1.00 0.00 N flip ATOM 0 H GLN A 26 -22.076 -11.260 10.406 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.767 -9.621 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.180 -9.150 9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.587 -8.804 11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.968 -6.689 10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -20.652 -7.136 11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -21.379 -8.439 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.834 -7.932 7.350 1.00 0.00 H new ATOM 424 N GLY A 27 -20.902 -10.466 13.295 1.00 0.00 N ATOM 425 CA GLY A 27 -20.693 -10.361 14.735 1.00 0.00 C ATOM 426 C GLY A 27 -19.216 -10.170 15.058 1.00 0.00 C ATOM 427 O GLY A 27 -18.859 -9.731 16.150 1.00 0.00 O ATOM 0 H GLY A 27 -21.459 -11.270 13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.267 -9.523 15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.064 -11.260 15.227 1.00 0.00 H new ATOM 431 N ILE A 28 -18.362 -10.513 14.106 1.00 0.00 N ATOM 432 CA ILE A 28 -16.923 -10.388 14.297 1.00 0.00 C ATOM 433 C ILE A 28 -16.524 -8.928 14.404 1.00 0.00 C ATOM 434 O ILE A 28 -15.683 -8.566 15.227 1.00 0.00 O ATOM 435 CB ILE A 28 -16.179 -11.046 13.133 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.653 -12.502 12.965 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.663 -11.025 13.409 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.902 -13.418 13.942 1.00 0.00 C ATOM 0 H ILE A 28 -18.638 -10.879 13.195 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.654 -10.892 15.225 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.388 -10.493 12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.726 -12.566 13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.482 -12.832 11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.135 -11.494 12.579 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.327 -9.994 13.516 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.453 -11.572 14.328 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.245 -14.445 13.815 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.832 -13.365 13.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.095 -13.095 14.965 1.00 0.00 H new ATOM 450 N LEU A 29 -17.114 -8.094 13.559 1.00 0.00 N ATOM 451 CA LEU A 29 -16.795 -6.670 13.564 1.00 0.00 C ATOM 452 C LEU A 29 -17.707 -5.925 14.533 1.00 0.00 C ATOM 453 O LEU A 29 -17.266 -5.011 15.227 1.00 0.00 O ATOM 454 CB LEU A 29 -16.976 -6.096 12.148 1.00 0.00 C ATOM 455 CG LEU A 29 -15.731 -6.388 11.307 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.600 -7.896 11.099 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.856 -5.694 9.954 1.00 0.00 C ATOM 0 H LEU A 29 -17.810 -8.373 12.867 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.761 -6.544 13.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.855 -6.536 11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.147 -5.021 12.201 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.847 -6.015 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.714 -8.105 10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.509 -8.390 12.066 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.484 -8.270 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.969 -5.902 9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.740 -6.065 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.948 -4.618 10.104 1.00 0.00 H new ATOM 469 N ASP A 30 -18.974 -6.315 14.570 1.00 0.00 N ATOM 470 CA ASP A 30 -19.932 -5.666 15.457 1.00 0.00 C ATOM 471 C ASP A 30 -19.459 -5.738 16.902 1.00 0.00 C ATOM 472 O ASP A 30 -19.475 -4.738 17.616 1.00 0.00 O ATOM 473 CB ASP A 30 -21.299 -6.342 15.332 1.00 0.00 C ATOM 474 CG ASP A 30 -22.370 -5.488 16.001 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.138 -4.302 16.161 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.406 -6.034 16.343 1.00 0.00 O ATOM 0 H ASP A 30 -19.360 -7.070 14.003 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.015 -4.619 15.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.545 -6.490 14.281 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.269 -7.329 15.794 1.00 0.00 H new ATOM 481 N GLN A 31 -19.038 -6.923 17.329 1.00 0.00 N ATOM 482 CA GLN A 31 -18.568 -7.109 18.695 1.00 0.00 C ATOM 483 C GLN A 31 -17.356 -6.228 18.961 1.00 0.00 C ATOM 484 O GLN A 31 -17.079 -5.863 20.103 1.00 0.00 O ATOM 485 CB GLN A 31 -18.204 -8.580 18.927 1.00 0.00 C ATOM 486 CG GLN A 31 -17.886 -8.809 20.407 1.00 0.00 C ATOM 487 CD GLN A 31 -19.143 -8.604 21.246 1.00 0.00 C ATOM 488 OE1 GLN A 31 -20.240 -8.967 20.820 1.00 0.00 O ATOM 489 NE2 GLN A 31 -19.050 -8.037 22.416 1.00 0.00 N ATOM 0 H GLN A 31 -19.013 -7.764 16.753 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.366 -6.825 19.381 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.030 -9.221 18.620 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.344 -8.852 18.315 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.501 -9.818 20.553 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.106 -8.120 20.731 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.140 -7.737 22.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.887 -7.893 22.981 1.00 0.00 H new ATOM 498 N LEU A 32 -16.634 -5.890 17.905 1.00 0.00 N ATOM 499 CA LEU A 32 -15.453 -5.056 18.050 1.00 0.00 C ATOM 500 C LEU A 32 -15.836 -3.698 18.635 1.00 0.00 C ATOM 501 O LEU A 32 -15.148 -3.161 19.502 1.00 0.00 O ATOM 502 CB LEU A 32 -14.780 -4.864 16.673 1.00 0.00 C ATOM 503 CG LEU A 32 -13.263 -4.705 16.858 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.977 -3.557 17.839 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.669 -6.026 17.409 1.00 0.00 C ATOM 0 H LEU A 32 -16.842 -6.177 16.948 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.754 -5.546 18.728 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.991 -5.720 16.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.190 -3.985 16.176 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.803 -4.475 15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.900 -3.448 17.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.391 -2.629 17.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.436 -3.779 18.802 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.593 -5.914 17.541 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.130 -6.260 18.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.866 -6.835 16.706 1.00 0.00 H new ATOM 517 N ASP A 33 -16.927 -3.140 18.147 1.00 0.00 N ATOM 518 CA ASP A 33 -17.381 -1.839 18.628 1.00 0.00 C ATOM 519 C ASP A 33 -17.734 -1.915 20.108 1.00 0.00 C ATOM 520 O ASP A 33 -17.512 -0.964 20.856 1.00 0.00 O ATOM 521 CB ASP A 33 -18.611 -1.393 17.819 1.00 0.00 C ATOM 522 CG ASP A 33 -18.177 -0.701 16.525 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.991 -0.479 16.355 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.042 -0.411 15.719 1.00 0.00 O ATOM 0 H ASP A 33 -17.514 -3.558 17.425 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.578 -1.113 18.499 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.233 -2.257 17.586 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.220 -0.714 18.416 1.00 0.00 H new ATOM 529 N LEU A 34 -18.284 -3.046 20.520 1.00 0.00 N ATOM 530 CA LEU A 34 -18.667 -3.232 21.912 1.00 0.00 C ATOM 531 C LEU A 34 -17.441 -3.188 22.812 1.00 0.00 C ATOM 532 O LEU A 34 -17.504 -2.685 23.924 1.00 0.00 O ATOM 533 CB LEU A 34 -19.397 -4.576 22.084 1.00 0.00 C ATOM 534 CG LEU A 34 -20.885 -4.401 21.772 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.056 -3.932 20.329 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.604 -5.736 21.966 1.00 0.00 C ATOM 0 H LEU A 34 -18.475 -3.845 19.915 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.339 -2.423 22.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.962 -5.324 21.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.270 -4.941 23.103 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.312 -3.656 22.444 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.117 -3.808 20.110 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.544 -2.979 20.193 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.630 -4.673 19.653 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.664 -5.614 21.744 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.176 -6.481 21.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.485 -6.067 22.998 1.00 0.00 H new ATOM 548 N VAL A 35 -16.337 -3.737 22.330 1.00 0.00 N ATOM 549 CA VAL A 35 -15.112 -3.771 23.118 1.00 0.00 C ATOM 550 C VAL A 35 -14.739 -2.372 23.588 1.00 0.00 C ATOM 551 O VAL A 35 -14.044 -2.209 24.590 1.00 0.00 O ATOM 552 CB VAL A 35 -13.970 -4.345 22.273 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.661 -4.276 23.065 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.275 -5.802 21.920 1.00 0.00 C ATOM 0 H VAL A 35 -16.262 -4.162 21.406 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.279 -4.403 23.990 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.872 -3.763 21.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.849 -4.685 22.463 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.441 -3.238 23.314 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.760 -4.856 23.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.462 -6.209 21.319 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.376 -6.385 22.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.205 -5.852 21.354 1.00 0.00 H new ATOM 564 N HIS A 36 -15.204 -1.363 22.860 1.00 0.00 N ATOM 565 CA HIS A 36 -14.913 0.020 23.217 1.00 0.00 C ATOM 566 C HIS A 36 -15.890 0.524 24.271 1.00 0.00 C ATOM 567 O HIS A 36 -15.485 1.065 25.300 1.00 0.00 O ATOM 568 CB HIS A 36 -15.002 0.907 21.972 1.00 0.00 C ATOM 569 CG HIS A 36 -13.821 0.642 21.080 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.540 1.057 21.409 1.00 0.00 N ATOM 571 CD2 HIS A 36 -13.708 0.004 19.870 1.00 0.00 C ATOM 572 CE1 HIS A 36 -11.720 0.669 20.415 1.00 0.00 C ATOM 573 NE2 HIS A 36 -12.381 0.022 19.453 1.00 0.00 N ATOM 0 H HIS A 36 -15.780 -1.475 22.025 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.904 0.063 23.627 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.929 0.706 21.435 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.023 1.957 22.262 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.525 -0.444 19.324 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.657 0.858 20.398 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.996 -0.374 18.596 1.00 0.00 H new ATOM 581 N GLN A 37 -17.181 0.352 24.007 1.00 0.00 N ATOM 582 CA GLN A 37 -18.210 0.804 24.939 1.00 0.00 C ATOM 583 C GLN A 37 -18.465 -0.253 26.012 1.00 0.00 C ATOM 584 O GLN A 37 -19.252 -0.044 26.933 1.00 0.00 O ATOM 585 CB GLN A 37 -19.511 1.097 24.178 1.00 0.00 C ATOM 586 CG GLN A 37 -20.374 2.069 24.988 1.00 0.00 C ATOM 587 CD GLN A 37 -19.765 3.467 24.939 1.00 0.00 C ATOM 588 OE1 GLN A 37 -19.299 3.978 25.958 1.00 0.00 O ATOM 589 NE2 GLN A 37 -19.739 4.117 23.809 1.00 0.00 N ATOM 0 H GLN A 37 -17.539 -0.094 23.162 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.862 1.716 25.424 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.284 1.524 23.201 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.057 0.170 24.002 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -21.388 2.090 24.587 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.447 1.730 26.021 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -20.126 3.691 22.967 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -19.332 5.051 23.767 1.00 0.00 H new ATOM 598 N ALA A 38 -17.803 -1.392 25.879 1.00 0.00 N ATOM 599 CA ALA A 38 -17.974 -2.479 26.835 1.00 0.00 C ATOM 600 C ALA A 38 -17.376 -2.096 28.186 1.00 0.00 C ATOM 601 O ALA A 38 -16.373 -1.387 28.252 1.00 0.00 O ATOM 602 CB ALA A 38 -17.290 -3.749 26.312 1.00 0.00 C ATOM 0 H ALA A 38 -17.146 -1.589 25.124 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.040 -2.668 26.960 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.422 -4.556 27.032 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.735 -4.036 25.359 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.226 -3.558 26.173 1.00 0.00 H new ATOM 608 N LYS A 39 -17.996 -2.577 29.254 1.00 0.00 N ATOM 609 CA LYS A 39 -17.516 -2.286 30.602 1.00 0.00 C ATOM 610 C LYS A 39 -16.264 -3.090 30.907 1.00 0.00 C ATOM 611 O LYS A 39 -15.930 -4.023 30.188 1.00 0.00 O ATOM 612 CB LYS A 39 -18.599 -2.622 31.627 1.00 0.00 C ATOM 613 CG LYS A 39 -19.933 -1.955 31.209 1.00 0.00 C ATOM 614 CD LYS A 39 -20.881 -3.013 30.635 1.00 0.00 C ATOM 615 CE LYS A 39 -22.216 -2.365 30.293 1.00 0.00 C ATOM 616 NZ LYS A 39 -22.024 -1.384 29.190 1.00 0.00 N ATOM 0 H LYS A 39 -18.827 -3.167 29.217 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.278 -1.224 30.660 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.727 -3.702 31.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.300 -2.273 32.615 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.393 -1.469 32.069 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.746 -1.179 30.467 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.444 -3.463 29.744 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -21.028 -3.815 31.358 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.936 -3.127 29.995 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.625 -1.865 31.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.943 -1.170 28.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.610 -0.509 29.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.385 -1.786 28.475 1.00 0.00 H new ATOM 630 N GLY A 40 -15.576 -2.719 31.978 1.00 0.00 N ATOM 631 CA GLY A 40 -14.356 -3.414 32.364 1.00 0.00 C ATOM 632 C GLY A 40 -14.547 -4.924 32.310 1.00 0.00 C ATOM 633 O GLY A 40 -13.859 -5.615 31.564 1.00 0.00 O ATOM 0 H GLY A 40 -15.839 -1.947 32.591 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.542 -3.123 31.700 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.067 -3.116 33.372 1.00 0.00 H new ATOM 637 N ARG A 41 -15.476 -5.430 33.113 1.00 0.00 N ATOM 638 CA ARG A 41 -15.738 -6.866 33.154 1.00 0.00 C ATOM 639 C ARG A 41 -16.304 -7.345 31.820 1.00 0.00 C ATOM 640 O ARG A 41 -15.941 -8.416 31.331 1.00 0.00 O ATOM 641 CB ARG A 41 -16.741 -7.172 34.270 1.00 0.00 C ATOM 642 CG ARG A 41 -16.139 -6.771 35.617 1.00 0.00 C ATOM 643 CD ARG A 41 -17.206 -6.896 36.704 1.00 0.00 C ATOM 644 NE ARG A 41 -16.672 -6.445 37.989 1.00 0.00 N ATOM 645 CZ ARG A 41 -17.440 -6.390 39.073 1.00 0.00 C ATOM 646 NH1 ARG A 41 -18.694 -6.744 39.002 1.00 0.00 N ATOM 647 NH2 ARG A 41 -16.940 -5.979 40.207 1.00 0.00 N ATOM 0 H ARG A 41 -16.057 -4.874 33.740 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.800 -7.387 33.346 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.670 -6.629 34.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.988 -8.234 34.271 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.287 -7.409 35.852 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.767 -5.747 35.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.080 -6.302 36.436 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.536 -7.932 36.782 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.693 -6.168 38.055 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.085 -7.063 38.115 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.284 -6.702 39.833 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.960 -5.700 40.261 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.529 -5.937 41.039 1.00 0.00 H new ATOM 661 N ASP A 42 -17.196 -6.550 31.240 1.00 0.00 N ATOM 662 CA ASP A 42 -17.808 -6.906 29.965 1.00 0.00 C ATOM 663 C ASP A 42 -16.774 -6.885 28.844 1.00 0.00 C ATOM 664 O ASP A 42 -16.947 -7.539 27.815 1.00 0.00 O ATOM 665 CB ASP A 42 -18.944 -5.934 29.645 1.00 0.00 C ATOM 666 CG ASP A 42 -19.794 -6.484 28.501 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.772 -7.687 28.295 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.454 -5.696 27.844 1.00 0.00 O ATOM 0 H ASP A 42 -17.510 -5.661 31.629 1.00 0.00 H new ATOM 0 HA ASP A 42 -18.209 -7.916 30.044 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.563 -5.782 30.529 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.535 -4.961 29.371 1.00 0.00 H new ATOM 673 N GLN A 43 -15.702 -6.131 29.051 1.00 0.00 N ATOM 674 CA GLN A 43 -14.646 -6.028 28.052 1.00 0.00 C ATOM 675 C GLN A 43 -13.926 -7.364 27.903 1.00 0.00 C ATOM 676 O GLN A 43 -13.532 -7.751 26.804 1.00 0.00 O ATOM 677 CB GLN A 43 -13.643 -4.946 28.456 1.00 0.00 C ATOM 678 CG GLN A 43 -12.637 -4.733 27.325 1.00 0.00 C ATOM 679 CD GLN A 43 -11.627 -3.662 27.721 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.128 -3.664 28.847 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.293 -2.743 26.857 1.00 0.00 N ATOM 0 H GLN A 43 -15.541 -5.584 29.897 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.098 -5.760 27.097 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.165 -4.014 28.672 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.124 -5.239 29.368 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.121 -5.668 27.105 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.158 -4.435 26.415 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.708 -2.744 25.925 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.617 -2.024 27.113 1.00 0.00 H new ATOM 690 N ILE A 44 -13.768 -8.069 29.013 1.00 0.00 N ATOM 691 CA ILE A 44 -13.098 -9.362 28.995 1.00 0.00 C ATOM 692 C ILE A 44 -13.922 -10.373 28.201 1.00 0.00 C ATOM 693 O ILE A 44 -13.377 -11.147 27.415 1.00 0.00 O ATOM 694 CB ILE A 44 -12.889 -9.870 30.432 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.671 -9.168 31.056 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.649 -11.389 30.424 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.037 -7.729 31.415 1.00 0.00 C ATOM 0 H ILE A 44 -14.092 -7.771 29.933 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.126 -9.244 28.515 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.781 -9.649 31.018 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.347 -9.705 31.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.835 -9.178 30.356 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.502 -11.740 31.446 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.513 -11.892 29.989 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.762 -11.614 29.832 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.173 -7.233 31.857 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.340 -7.195 30.514 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.860 -7.730 32.130 1.00 0.00 H new ATOM 709 N ALA A 45 -15.226 -10.377 28.434 1.00 0.00 N ATOM 710 CA ALA A 45 -16.106 -11.313 27.749 1.00 0.00 C ATOM 711 C ALA A 45 -15.957 -11.174 26.238 1.00 0.00 C ATOM 712 O ALA A 45 -15.920 -12.169 25.516 1.00 0.00 O ATOM 713 CB ALA A 45 -17.559 -11.045 28.145 1.00 0.00 C ATOM 0 H ALA A 45 -15.695 -9.749 29.086 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.830 -12.326 28.041 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.212 -11.749 27.629 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.671 -11.168 29.222 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.830 -10.027 27.866 1.00 0.00 H new ATOM 719 N ALA A 46 -15.858 -9.936 25.768 1.00 0.00 N ATOM 720 CA ALA A 46 -15.704 -9.679 24.343 1.00 0.00 C ATOM 721 C ALA A 46 -14.401 -10.282 23.832 1.00 0.00 C ATOM 722 O ALA A 46 -14.371 -10.908 22.773 1.00 0.00 O ATOM 723 CB ALA A 46 -15.713 -8.174 24.084 1.00 0.00 C ATOM 0 H ALA A 46 -15.882 -9.099 26.350 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.536 -10.142 23.813 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.597 -7.988 23.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.658 -7.752 24.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.890 -7.707 24.625 1.00 0.00 H new ATOM 729 N SER A 47 -13.326 -10.087 24.591 1.00 0.00 N ATOM 730 CA SER A 47 -12.028 -10.614 24.201 1.00 0.00 C ATOM 731 C SER A 47 -12.054 -12.140 24.170 1.00 0.00 C ATOM 732 O SER A 47 -11.510 -12.765 23.259 1.00 0.00 O ATOM 733 CB SER A 47 -10.950 -10.141 25.178 1.00 0.00 C ATOM 734 OG SER A 47 -11.277 -10.580 26.487 1.00 0.00 O ATOM 0 H SER A 47 -13.330 -9.572 25.472 1.00 0.00 H new ATOM 0 HA SER A 47 -11.797 -10.244 23.202 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.977 -10.535 24.883 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.874 -9.054 25.155 1.00 0.00 H new ATOM 0 HG SER A 47 -12.247 -10.700 26.559 1.00 0.00 H new ATOM 740 N PHE A 48 -12.695 -12.731 25.170 1.00 0.00 N ATOM 741 CA PHE A 48 -12.795 -14.184 25.249 1.00 0.00 C ATOM 742 C PHE A 48 -13.608 -14.725 24.078 1.00 0.00 C ATOM 743 O PHE A 48 -13.246 -15.733 23.475 1.00 0.00 O ATOM 744 CB PHE A 48 -13.450 -14.594 26.578 1.00 0.00 C ATOM 745 CG PHE A 48 -12.394 -14.699 27.659 1.00 0.00 C ATOM 746 CD1 PHE A 48 -11.529 -13.626 27.896 1.00 0.00 C ATOM 747 CD2 PHE A 48 -12.278 -15.872 28.412 1.00 0.00 C ATOM 748 CE1 PHE A 48 -10.550 -13.722 28.888 1.00 0.00 C ATOM 749 CE2 PHE A 48 -11.300 -15.968 29.405 1.00 0.00 C ATOM 750 CZ PHE A 48 -10.434 -14.894 29.644 1.00 0.00 C ATOM 0 H PHE A 48 -13.151 -12.231 25.933 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.791 -14.606 25.201 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.204 -13.861 26.864 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.962 -15.549 26.462 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.618 -12.722 27.312 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.943 -16.702 28.226 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.883 -12.892 29.071 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.212 -16.872 29.989 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.677 -14.970 30.411 1.00 0.00 H new ATOM 760 N GLU A 49 -14.714 -14.054 23.774 1.00 0.00 N ATOM 761 CA GLU A 49 -15.575 -14.485 22.679 1.00 0.00 C ATOM 762 C GLU A 49 -14.857 -14.320 21.344 1.00 0.00 C ATOM 763 O GLU A 49 -14.868 -15.222 20.508 1.00 0.00 O ATOM 764 CB GLU A 49 -16.862 -13.658 22.675 1.00 0.00 C ATOM 765 CG GLU A 49 -17.788 -14.161 21.566 1.00 0.00 C ATOM 766 CD GLU A 49 -19.117 -13.417 21.618 1.00 0.00 C ATOM 767 OE1 GLU A 49 -19.191 -12.426 22.323 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.041 -13.851 20.950 1.00 0.00 O ATOM 0 H GLU A 49 -15.033 -13.218 24.264 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.820 -15.538 22.821 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -17.360 -13.735 23.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.629 -12.605 22.519 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.318 -14.014 20.594 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.957 -15.232 21.680 1.00 0.00 H new ATOM 775 N LEU A 50 -14.224 -13.170 21.160 1.00 0.00 N ATOM 776 CA LEU A 50 -13.490 -12.899 19.932 1.00 0.00 C ATOM 777 C LEU A 50 -12.342 -13.882 19.766 1.00 0.00 C ATOM 778 O LEU A 50 -12.032 -14.305 18.654 1.00 0.00 O ATOM 779 CB LEU A 50 -12.950 -11.468 19.943 1.00 0.00 C ATOM 780 CG LEU A 50 -14.115 -10.479 19.803 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.630 -9.068 20.148 1.00 0.00 C ATOM 782 CD2 LEU A 50 -14.655 -10.499 18.359 1.00 0.00 C ATOM 0 H LEU A 50 -14.204 -12.412 21.842 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.175 -13.016 19.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.409 -11.280 20.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.241 -11.329 19.126 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.914 -10.770 20.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.457 -8.365 20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.260 -9.051 21.173 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.827 -8.783 19.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.481 -9.794 18.270 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.860 -10.215 17.669 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.006 -11.502 18.116 1.00 0.00 H new ATOM 794 N ASN A 51 -11.705 -14.226 20.875 1.00 0.00 N ATOM 795 CA ASN A 51 -10.576 -15.147 20.833 1.00 0.00 C ATOM 796 C ASN A 51 -10.982 -16.455 20.163 1.00 0.00 C ATOM 797 O ASN A 51 -10.264 -16.969 19.305 1.00 0.00 O ATOM 798 CB ASN A 51 -10.093 -15.437 22.258 1.00 0.00 C ATOM 799 CG ASN A 51 -8.978 -16.477 22.232 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.605 -16.960 21.163 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.424 -16.859 23.352 1.00 0.00 N ATOM 0 H ASN A 51 -11.946 -13.887 21.806 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.772 -14.687 20.258 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.734 -14.519 22.722 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.923 -15.798 22.865 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.681 -17.558 23.341 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.734 -16.458 24.237 1.00 0.00 H new ATOM 808 N LYS A 52 -12.132 -16.990 20.556 1.00 0.00 N ATOM 809 CA LYS A 52 -12.616 -18.241 19.979 1.00 0.00 C ATOM 810 C LYS A 52 -12.921 -18.056 18.497 1.00 0.00 C ATOM 811 O LYS A 52 -12.535 -18.875 17.662 1.00 0.00 O ATOM 812 CB LYS A 52 -13.886 -18.681 20.704 1.00 0.00 C ATOM 813 CG LYS A 52 -13.594 -18.816 22.200 1.00 0.00 C ATOM 814 CD LYS A 52 -14.900 -19.097 22.956 1.00 0.00 C ATOM 815 CE LYS A 52 -14.713 -18.763 24.432 1.00 0.00 C ATOM 816 NZ LYS A 52 -15.805 -19.391 25.229 1.00 0.00 N ATOM 0 H LYS A 52 -12.742 -16.583 21.265 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.844 -19.002 20.092 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.682 -17.954 20.541 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.236 -19.632 20.303 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.882 -19.624 22.370 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.134 -17.902 22.575 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.711 -18.501 22.537 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.181 -20.144 22.842 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.744 -19.123 24.777 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.720 -17.682 24.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.676 -19.162 26.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.724 -19.027 24.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.778 -20.423 25.102 1.00 0.00 H new ATOM 830 N LYS A 53 -13.623 -16.974 18.178 1.00 0.00 N ATOM 831 CA LYS A 53 -13.977 -16.689 16.786 1.00 0.00 C ATOM 832 C LYS A 53 -12.722 -16.492 15.942 1.00 0.00 C ATOM 833 O LYS A 53 -12.616 -17.017 14.833 1.00 0.00 O ATOM 834 CB LYS A 53 -14.847 -15.430 16.711 1.00 0.00 C ATOM 835 CG LYS A 53 -16.220 -15.718 17.314 1.00 0.00 C ATOM 836 CD LYS A 53 -17.063 -14.443 17.293 1.00 0.00 C ATOM 837 CE LYS A 53 -18.416 -14.716 17.943 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.252 -15.546 17.029 1.00 0.00 N ATOM 0 H LYS A 53 -13.956 -16.285 18.853 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.536 -17.539 16.394 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.367 -14.612 17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.954 -15.111 15.674 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.719 -16.506 16.750 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.112 -16.078 18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.547 -13.644 17.825 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.203 -14.104 16.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.277 -15.231 18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.922 -13.776 18.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.229 -15.576 17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.242 -15.130 16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.869 -16.512 16.989 1.00 0.00 H new ATOM 852 N ILE A 54 -11.768 -15.736 16.476 1.00 0.00 N ATOM 853 CA ILE A 54 -10.523 -15.485 15.762 1.00 0.00 C ATOM 854 C ILE A 54 -9.717 -16.772 15.618 1.00 0.00 C ATOM 855 O ILE A 54 -9.196 -17.071 14.544 1.00 0.00 O ATOM 856 CB ILE A 54 -9.692 -14.441 16.519 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.391 -13.081 16.441 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.298 -14.336 15.894 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.737 -12.114 17.430 1.00 0.00 C ATOM 0 H ILE A 54 -11.832 -15.291 17.391 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.764 -15.110 14.767 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.596 -14.743 17.562 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.324 -12.683 15.428 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.451 -13.191 16.670 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.712 -13.593 16.435 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.800 -15.304 15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.389 -14.036 14.850 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.234 -11.146 17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.827 -12.511 18.441 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.683 -11.995 17.180 1.00 0.00 H new ATOM 871 N ASN A 55 -9.620 -17.527 16.706 1.00 0.00 N ATOM 872 CA ASN A 55 -8.875 -18.778 16.687 1.00 0.00 C ATOM 873 C ASN A 55 -9.522 -19.772 15.729 1.00 0.00 C ATOM 874 O ASN A 55 -8.835 -20.474 14.988 1.00 0.00 O ATOM 875 CB ASN A 55 -8.824 -19.378 18.094 1.00 0.00 C ATOM 876 CG ASN A 55 -8.045 -20.690 18.075 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.092 -20.836 17.308 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.394 -21.658 18.877 1.00 0.00 N ATOM 0 H ASN A 55 -10.044 -17.297 17.605 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.861 -18.570 16.345 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.352 -18.675 18.781 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.836 -19.552 18.461 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.878 -22.538 18.870 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.183 -21.535 19.511 1.00 0.00 H new ATOM 885 N ASP A 56 -10.851 -19.828 15.756 1.00 0.00 N ATOM 886 CA ASP A 56 -11.583 -20.744 14.890 1.00 0.00 C ATOM 887 C ASP A 56 -11.361 -20.389 13.425 1.00 0.00 C ATOM 888 O ASP A 56 -11.109 -21.262 12.595 1.00 0.00 O ATOM 889 CB ASP A 56 -13.078 -20.684 15.211 1.00 0.00 C ATOM 890 CG ASP A 56 -13.810 -21.816 14.500 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.537 -22.963 14.817 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.633 -21.521 13.650 1.00 0.00 O ATOM 0 H ASP A 56 -11.437 -19.255 16.363 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.214 -21.754 15.067 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.230 -20.761 16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.487 -19.723 14.899 1.00 0.00 H new ATOM 897 N TYR A 57 -11.455 -19.102 13.115 1.00 0.00 N ATOM 898 CA TYR A 57 -11.261 -18.645 11.745 1.00 0.00 C ATOM 899 C TYR A 57 -9.870 -19.023 11.249 1.00 0.00 C ATOM 900 O TYR A 57 -9.714 -19.513 10.132 1.00 0.00 O ATOM 901 CB TYR A 57 -11.444 -17.116 11.674 1.00 0.00 C ATOM 902 CG TYR A 57 -12.901 -16.783 11.439 1.00 0.00 C ATOM 903 CD1 TYR A 57 -13.892 -17.388 12.220 1.00 0.00 C ATOM 904 CD2 TYR A 57 -13.257 -15.883 10.429 1.00 0.00 C ATOM 905 CE1 TYR A 57 -15.239 -17.086 11.997 1.00 0.00 C ATOM 906 CE2 TYR A 57 -14.603 -15.581 10.205 1.00 0.00 C ATOM 907 CZ TYR A 57 -15.595 -16.183 10.988 1.00 0.00 C ATOM 908 OH TYR A 57 -16.922 -15.885 10.768 1.00 0.00 O ATOM 0 H TYR A 57 -11.662 -18.363 13.786 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.002 -19.127 11.107 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.102 -16.656 12.601 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.834 -16.705 10.870 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.617 -18.088 12.995 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -12.492 -15.422 9.822 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.004 -17.549 12.603 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.878 -14.883 9.428 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.995 -15.241 10.033 1.00 0.00 H new ATOM 918 N ILE A 58 -8.865 -18.777 12.081 1.00 0.00 N ATOM 919 CA ILE A 58 -7.492 -19.089 11.706 1.00 0.00 C ATOM 920 C ILE A 58 -7.320 -20.593 11.520 1.00 0.00 C ATOM 921 O ILE A 58 -6.722 -21.042 10.544 1.00 0.00 O ATOM 922 CB ILE A 58 -6.535 -18.596 12.794 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.560 -17.065 12.838 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.113 -19.069 12.478 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.835 -16.577 14.095 1.00 0.00 C ATOM 0 H ILE A 58 -8.973 -18.367 13.009 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.265 -18.589 10.765 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.847 -18.996 13.759 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.081 -16.657 11.948 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.590 -16.708 12.838 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.432 -18.718 13.253 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.091 -20.158 12.442 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.802 -18.668 11.513 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.853 -15.488 14.126 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.334 -16.973 14.980 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.801 -16.922 14.076 1.00 0.00 H new ATOM 937 N ALA A 59 -7.854 -21.363 12.459 1.00 0.00 N ATOM 938 CA ALA A 59 -7.758 -22.816 12.390 1.00 0.00 C ATOM 939 C ALA A 59 -8.509 -23.343 11.174 1.00 0.00 C ATOM 940 O ALA A 59 -8.127 -24.354 10.585 1.00 0.00 O ATOM 941 CB ALA A 59 -8.329 -23.443 13.663 1.00 0.00 C ATOM 0 H ALA A 59 -8.356 -21.009 13.273 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.706 -23.088 12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.252 -24.528 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.767 -23.089 14.527 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.376 -23.159 13.770 1.00 0.00 H new ATOM 947 N GLU A 60 -9.591 -22.659 10.814 1.00 0.00 N ATOM 948 CA GLU A 60 -10.398 -23.076 9.675 1.00 0.00 C ATOM 949 C GLU A 60 -9.639 -22.854 8.374 1.00 0.00 C ATOM 950 O GLU A 60 -9.676 -23.693 7.474 1.00 0.00 O ATOM 951 CB GLU A 60 -11.705 -22.276 9.644 1.00 0.00 C ATOM 952 CG GLU A 60 -12.646 -22.875 8.595 1.00 0.00 C ATOM 953 CD GLU A 60 -13.153 -24.232 9.069 1.00 0.00 C ATOM 954 OE1 GLU A 60 -12.915 -24.564 10.219 1.00 0.00 O ATOM 955 OE2 GLU A 60 -13.780 -24.917 8.277 1.00 0.00 O ATOM 0 H GLU A 60 -9.926 -21.821 11.290 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.620 -24.138 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.179 -22.295 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.499 -21.232 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.487 -22.203 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.124 -22.984 7.645 1.00 0.00 H new ATOM 962 N HIS A 61 -8.954 -21.719 8.275 1.00 0.00 N ATOM 963 CA HIS A 61 -8.189 -21.393 7.073 1.00 0.00 C ATOM 964 C HIS A 61 -6.885 -20.689 7.438 1.00 0.00 C ATOM 965 O HIS A 61 -6.705 -19.508 7.146 1.00 0.00 O ATOM 966 CB HIS A 61 -9.019 -20.501 6.154 1.00 0.00 C ATOM 967 CG HIS A 61 -10.291 -21.211 5.781 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.301 -22.516 5.313 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.604 -20.810 5.800 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.582 -22.851 5.072 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.417 -21.846 5.352 1.00 0.00 N ATOM 0 H HIS A 61 -8.912 -21.011 9.008 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.949 -22.321 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.248 -19.560 6.653 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.450 -20.256 5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.953 -19.838 6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.897 -23.814 4.698 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.433 -21.840 5.258 1.00 0.00 H new ATOM 979 N PRO A 62 -5.982 -21.392 8.068 1.00 0.00 N ATOM 980 CA PRO A 62 -4.664 -20.830 8.479 1.00 0.00 C ATOM 981 C PRO A 62 -3.703 -20.705 7.299 1.00 0.00 C ATOM 982 O PRO A 62 -2.704 -19.990 7.374 1.00 0.00 O ATOM 983 CB PRO A 62 -4.145 -21.835 9.518 1.00 0.00 C ATOM 984 CG PRO A 62 -4.804 -23.139 9.174 1.00 0.00 C ATOM 985 CD PRO A 62 -6.121 -22.806 8.455 1.00 0.00 C ATOM 0 HA PRO A 62 -4.752 -19.818 8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.059 -21.920 9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.400 -21.521 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.158 -23.740 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.994 -23.723 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.270 -23.443 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.980 -22.956 9.110 1.00 0.00 H new ATOM 993 N THR A 63 -4.002 -21.421 6.221 1.00 0.00 N ATOM 994 CA THR A 63 -3.150 -21.396 5.036 1.00 0.00 C ATOM 995 C THR A 63 -3.523 -20.223 4.137 1.00 0.00 C ATOM 996 O THR A 63 -2.755 -19.835 3.258 1.00 0.00 O ATOM 997 CB THR A 63 -3.295 -22.706 4.260 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.658 -22.905 3.918 1.00 0.00 O ATOM 999 CG2 THR A 63 -2.806 -23.872 5.123 1.00 0.00 C ATOM 0 H THR A 63 -4.822 -22.022 6.142 1.00 0.00 H new ATOM 0 HA THR A 63 -2.115 -21.279 5.356 1.00 0.00 H new ATOM 0 HB THR A 63 -2.697 -22.656 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.751 -23.743 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.910 -24.804 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.758 -23.719 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.401 -23.924 6.035 1.00 0.00 H new ATOM 1007 N SER A 64 -4.710 -19.667 4.361 1.00 0.00 N ATOM 1008 CA SER A 64 -5.176 -18.542 3.560 1.00 0.00 C ATOM 1009 C SER A 64 -4.160 -17.405 3.583 1.00 0.00 C ATOM 1010 O SER A 64 -3.142 -17.457 2.892 1.00 0.00 O ATOM 1011 CB SER A 64 -6.517 -18.040 4.097 1.00 0.00 C ATOM 1012 OG SER A 64 -6.398 -17.786 5.491 1.00 0.00 O ATOM 0 H SER A 64 -5.361 -19.974 5.084 1.00 0.00 H new ATOM 0 HA SER A 64 -5.299 -18.881 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.814 -17.131 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.295 -18.781 3.916 1.00 0.00 H new ATOM 0 HG SER A 64 -6.923 -18.446 5.990 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.444 -16.380 4.378 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.548 -15.234 4.480 1.00 0.00 C ATOM 1020 C GLY A 65 -4.277 -14.025 5.057 1.00 0.00 C ATOM 1021 O GLY A 65 -3.712 -13.265 5.840 1.00 0.00 O ATOM 0 H GLY A 65 -5.281 -16.318 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.697 -15.487 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.151 -14.989 3.495 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.533 -13.855 4.666 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.333 -12.735 5.153 1.00 0.00 C ATOM 1027 C ARG A 66 -6.564 -12.858 6.654 1.00 0.00 C ATOM 1028 O ARG A 66 -6.608 -11.856 7.368 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.678 -12.699 4.426 1.00 0.00 C ATOM 1030 CG ARG A 66 -7.440 -12.523 2.921 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.769 -11.167 2.648 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.317 -11.312 2.688 1.00 0.00 N ATOM 1033 CZ ARG A 66 -4.641 -11.759 1.637 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -5.275 -12.083 0.545 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -3.343 -11.876 1.700 1.00 0.00 N ATOM 0 H ARG A 66 -6.019 -14.473 4.017 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.791 -11.810 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.229 -13.621 4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.288 -11.880 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.811 -13.331 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.387 -12.583 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.078 -10.788 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.090 -10.437 3.391 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.813 -11.065 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.290 -11.993 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.756 -12.427 -0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.849 -11.624 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.822 -12.219 0.893 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.722 -14.089 7.122 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.959 -14.333 8.540 1.00 0.00 C ATOM 1051 C ASN A 67 -5.779 -13.840 9.371 1.00 0.00 C ATOM 1052 O ASN A 67 -5.947 -13.421 10.516 1.00 0.00 O ATOM 1053 CB ASN A 67 -7.169 -15.829 8.785 1.00 0.00 C ATOM 1054 CG ASN A 67 -8.482 -16.282 8.153 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -9.345 -15.390 7.747 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 -8.725 -17.481 8.018 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.691 -14.930 6.545 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.854 -13.788 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.338 -16.395 8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.182 -16.032 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.050 -18.177 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.601 -17.779 7.589 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.588 -13.895 8.788 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.385 -13.452 9.485 1.00 0.00 C ATOM 1065 C GLN A 68 -3.620 -12.101 10.149 1.00 0.00 C ATOM 1066 O GLN A 68 -2.901 -11.720 11.070 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.219 -13.342 8.500 1.00 0.00 C ATOM 1068 CG GLN A 68 -1.934 -14.717 7.891 1.00 0.00 C ATOM 1069 CD GLN A 68 -1.444 -15.676 8.972 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -0.597 -15.310 9.788 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -1.927 -16.886 9.027 1.00 0.00 N ATOM 0 H GLN A 68 -4.429 -14.239 7.841 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.142 -14.186 10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.460 -12.627 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.332 -12.968 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.837 -15.112 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.184 -14.627 7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.628 -17.186 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.604 -17.532 9.747 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.630 -11.378 9.677 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.955 -10.070 10.239 1.00 0.00 C ATOM 1082 C ALA A 69 -5.847 -10.226 11.468 1.00 0.00 C ATOM 1083 O ALA A 69 -5.802 -9.415 12.383 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.668 -9.214 9.193 1.00 0.00 C ATOM 0 H ALA A 69 -5.235 -11.673 8.911 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.028 -9.580 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.907 -8.240 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.019 -9.081 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.588 -9.709 8.883 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.660 -11.272 11.476 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.557 -11.524 12.599 1.00 0.00 C ATOM 1092 C LEU A 70 -6.767 -11.874 13.854 1.00 0.00 C ATOM 1093 O LEU A 70 -7.120 -11.459 14.957 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.511 -12.670 12.257 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.442 -12.239 11.117 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.275 -13.439 10.658 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.379 -11.111 11.597 1.00 0.00 C ATOM 0 H LEU A 70 -6.719 -11.958 10.723 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.130 -10.617 12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.944 -13.554 11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.096 -12.944 13.135 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.842 -11.871 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.937 -13.134 9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.612 -14.229 10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.870 -13.809 11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.036 -10.812 10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.979 -11.468 12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.784 -10.255 11.916 1.00 0.00 H new ATOM 1109 N THR A 71 -5.706 -12.648 13.677 1.00 0.00 N ATOM 1110 CA THR A 71 -4.875 -13.057 14.803 1.00 0.00 C ATOM 1111 C THR A 71 -4.316 -11.835 15.532 1.00 0.00 C ATOM 1112 O THR A 71 -4.030 -11.890 16.727 1.00 0.00 O ATOM 1113 CB THR A 71 -3.725 -13.948 14.307 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.317 -14.815 15.356 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.542 -13.084 13.858 1.00 0.00 C ATOM 0 H THR A 71 -5.401 -13.004 12.771 1.00 0.00 H new ATOM 0 HA THR A 71 -5.490 -13.623 15.502 1.00 0.00 H new ATOM 0 HB THR A 71 -4.069 -14.538 13.457 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.585 -15.386 15.042 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.734 -13.727 13.509 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.858 -12.426 13.048 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.191 -12.483 14.697 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.137 -10.747 14.789 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.585 -9.527 15.364 1.00 0.00 C ATOM 1125 C GLN A 72 -4.497 -9.008 16.468 1.00 0.00 C ATOM 1126 O GLN A 72 -4.031 -8.520 17.494 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.433 -8.462 14.280 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.363 -8.898 13.276 1.00 0.00 C ATOM 1129 CD GLN A 72 -2.273 -7.888 12.138 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -3.289 -7.344 11.707 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -1.108 -7.600 11.625 1.00 0.00 N ATOM 0 H GLN A 72 -4.364 -10.686 13.796 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.606 -9.751 15.787 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.384 -8.310 13.770 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.157 -7.508 14.730 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.398 -8.983 13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.605 -9.884 12.880 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.267 -8.052 11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.039 -6.923 10.865 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.801 -9.126 16.252 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.769 -8.674 17.239 1.00 0.00 C ATOM 1142 C LEU A 73 -6.630 -9.457 18.534 1.00 0.00 C ATOM 1143 O LEU A 73 -6.750 -8.898 19.621 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.192 -8.833 16.689 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.535 -7.635 15.786 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.680 -8.014 14.846 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.960 -6.435 16.652 1.00 0.00 C ATOM 0 H LEU A 73 -6.209 -9.528 15.408 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.576 -7.622 17.448 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.272 -9.762 16.124 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.905 -8.897 17.511 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.656 -7.364 15.200 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.922 -7.165 14.207 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.378 -8.859 14.228 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.557 -8.288 15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.202 -5.589 16.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.836 -6.704 17.242 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.143 -6.161 17.320 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.401 -10.758 18.407 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.274 -11.609 19.580 1.00 0.00 C ATOM 1161 C LYS A 74 -5.170 -11.108 20.502 1.00 0.00 C ATOM 1162 O LYS A 74 -5.382 -10.934 21.695 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.951 -13.045 19.143 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.852 -13.949 20.375 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.578 -15.388 19.934 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.485 -16.289 21.167 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.279 -17.700 20.736 1.00 0.00 N ATOM 0 H LYS A 74 -6.301 -11.241 17.514 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.220 -11.585 20.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.726 -13.414 18.471 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.012 -13.065 18.589 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.054 -13.601 21.031 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.778 -13.903 20.948 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.374 -15.736 19.275 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.650 -15.435 19.365 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.661 -15.968 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.396 -16.208 21.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.216 -18.313 21.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.079 -18.003 20.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.398 -17.770 20.188 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.991 -10.889 19.940 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.857 -10.413 20.723 1.00 0.00 C ATOM 1183 C GLU A 75 -3.074 -8.977 21.183 1.00 0.00 C ATOM 1184 O GLU A 75 -2.660 -8.592 22.278 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.572 -10.505 19.898 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.780 -9.812 18.554 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.510 -9.898 17.718 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.280 -10.943 17.133 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.211 -8.915 17.672 1.00 0.00 O ATOM 0 H GLU A 75 -3.793 -11.032 18.950 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.766 -11.046 21.605 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.747 -10.038 20.436 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.301 -11.549 19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.608 -10.278 18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.050 -8.768 18.712 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.708 -8.179 20.331 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.955 -6.781 20.654 1.00 0.00 C ATOM 1198 C GLN A 76 -4.934 -6.651 21.813 1.00 0.00 C ATOM 1199 O GLN A 76 -4.610 -6.064 22.845 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.516 -6.055 19.426 1.00 0.00 C ATOM 1201 CG GLN A 76 -3.393 -5.765 18.430 1.00 0.00 C ATOM 1202 CD GLN A 76 -2.483 -4.674 18.982 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.953 -3.591 19.326 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -1.203 -4.897 19.096 1.00 0.00 N ATOM 0 H GLN A 76 -4.057 -8.474 19.419 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.008 -6.328 20.949 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.284 -6.666 18.952 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.992 -5.123 19.731 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.817 -6.671 18.243 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.814 -5.452 17.475 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.814 -5.796 18.810 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.591 -4.173 19.471 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.138 -7.180 21.628 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.162 -7.093 22.658 1.00 0.00 C ATOM 1215 C VAL A 77 -6.671 -7.720 23.959 1.00 0.00 C ATOM 1216 O VAL A 77 -6.876 -7.171 25.040 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.437 -7.805 22.188 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.220 -9.319 22.210 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.595 -7.443 23.118 1.00 0.00 C ATOM 0 H VAL A 77 -6.426 -7.670 20.781 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.381 -6.041 22.840 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.673 -7.489 21.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.128 -9.822 21.876 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.396 -9.578 21.545 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.982 -9.638 23.225 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.501 -7.949 22.784 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.357 -7.757 24.134 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.753 -6.365 23.099 1.00 0.00 H new ATOM 1229 N THR A 78 -6.026 -8.876 23.845 1.00 0.00 N ATOM 1230 CA THR A 78 -5.513 -9.571 25.017 1.00 0.00 C ATOM 1231 C THR A 78 -4.482 -8.711 25.740 1.00 0.00 C ATOM 1232 O THR A 78 -4.454 -8.660 26.966 1.00 0.00 O ATOM 1233 CB THR A 78 -4.874 -10.897 24.600 1.00 0.00 C ATOM 1234 OG1 THR A 78 -3.969 -10.668 23.531 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.961 -11.878 24.152 1.00 0.00 C ATOM 0 H THR A 78 -5.847 -9.348 22.959 1.00 0.00 H new ATOM 0 HA THR A 78 -6.345 -9.767 25.694 1.00 0.00 H new ATOM 0 HB THR A 78 -4.337 -11.322 25.448 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.318 -11.080 22.713 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.501 -12.821 23.856 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.653 -12.055 24.975 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.504 -11.458 23.305 1.00 0.00 H new ATOM 1243 N SER A 79 -3.636 -8.040 24.969 1.00 0.00 N ATOM 1244 CA SER A 79 -2.602 -7.189 25.549 1.00 0.00 C ATOM 1245 C SER A 79 -3.227 -6.058 26.357 1.00 0.00 C ATOM 1246 O SER A 79 -2.738 -5.703 27.428 1.00 0.00 O ATOM 1247 CB SER A 79 -1.725 -6.605 24.442 1.00 0.00 C ATOM 1248 OG SER A 79 -1.020 -7.657 23.797 1.00 0.00 O ATOM 0 H SER A 79 -3.643 -8.067 23.949 1.00 0.00 H new ATOM 0 HA SER A 79 -1.989 -7.797 26.214 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.340 -6.068 23.720 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.023 -5.884 24.861 1.00 0.00 H new ATOM 0 HG SER A 79 -1.385 -7.792 22.898 1.00 0.00 H new ATOM 1254 N ALA A 80 -4.311 -5.494 25.833 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.994 -4.403 26.515 1.00 0.00 C ATOM 1256 C ALA A 80 -5.437 -4.834 27.908 1.00 0.00 C ATOM 1257 O ALA A 80 -5.231 -4.112 28.885 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.213 -3.961 25.702 1.00 0.00 C ATOM 0 H ALA A 80 -4.731 -5.772 24.946 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.299 -3.568 26.611 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.718 -3.145 26.218 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.890 -3.623 24.717 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.900 -4.800 25.590 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.058 -6.006 27.992 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.533 -6.514 29.273 1.00 0.00 C ATOM 1266 C LEU A 81 -5.366 -6.834 30.193 1.00 0.00 C ATOM 1267 O LEU A 81 -5.464 -6.680 31.411 1.00 0.00 O ATOM 1268 CB LEU A 81 -7.365 -7.775 29.046 1.00 0.00 C ATOM 1269 CG LEU A 81 -8.609 -7.427 28.223 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -9.249 -8.719 27.697 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -9.625 -6.673 29.096 1.00 0.00 C ATOM 0 H LEU A 81 -6.243 -6.617 27.196 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.146 -5.746 29.745 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.771 -8.526 28.526 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.658 -8.207 30.003 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.317 -6.792 27.386 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.135 -8.474 27.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.534 -9.250 27.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.534 -9.352 28.537 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.506 -6.430 28.502 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.917 -7.300 29.938 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.173 -5.753 29.468 1.00 0.00 H new