USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 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 67 ASN : amide:sc= -7.06! C(o=-13!,f=-31!) USER MOD Set 1.2: A 68 GLN : amide:sc= -5.95! C(o=-13!,f=-13!) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.0291 X(o=-0.057,f=0) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -169:sc= -0.0283 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0672 (180deg=-0.441) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= -4.2! (180deg=-6.23!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 26 GLN : amide:sc= -4.44! C(o=-4.4!,f=-9.3!) USER MOD Single : A 31 GLN : amide:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -3.19! C(o=-3.2!,f=-6.6!) USER MOD Single : A 47 SER OG : rot -43:sc= 0.798 USER MOD Single : A 51 ASN : amide:sc= -2.94! C(o=-2.9!,f=-5.8!) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.00683 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.8) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -3.88 K(o=-3.9,f=-5.4!) USER MOD Single : A 76 GLN : amide:sc= -5.56! C(o=-5.6!,f=-6.5!) USER MOD Single : A 78 THR OG1 : rot 170:sc= -0.504 USER MOD Single : A 79 SER OG : rot -11:sc= -0.826 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.339 0.801 19.694 1.00 0.00 N ATOM 45 CA ILE A 4 -7.370 -0.074 19.136 1.00 0.00 C ATOM 46 C ILE A 4 -7.729 0.360 17.718 1.00 0.00 C ATOM 47 O ILE A 4 -7.980 1.539 17.465 1.00 0.00 O ATOM 48 CB ILE A 4 -8.611 -0.037 20.013 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.278 -0.608 21.395 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.719 -0.876 19.371 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.430 -0.319 22.361 1.00 0.00 C ATOM 0 HA ILE A 4 -6.981 -1.092 19.103 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.949 0.994 20.116 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.110 -1.683 21.325 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.356 -0.165 21.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.608 -0.848 20.001 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.959 -0.471 18.388 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.381 -1.907 19.266 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.192 -0.726 23.344 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.577 0.758 22.440 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.343 -0.783 21.988 1.00 0.00 H new ATOM 63 N PHE A 5 -7.754 -0.599 16.798 1.00 0.00 N ATOM 64 CA PHE A 5 -8.082 -0.300 15.411 1.00 0.00 C ATOM 65 C PHE A 5 -9.551 0.084 15.282 1.00 0.00 C ATOM 66 O PHE A 5 -10.427 -0.595 15.814 1.00 0.00 O ATOM 67 CB PHE A 5 -7.791 -1.522 14.533 1.00 0.00 C ATOM 68 CG PHE A 5 -6.300 -1.672 14.353 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.656 -1.026 13.290 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.561 -2.455 15.247 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.274 -1.160 13.124 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.178 -2.589 15.080 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.535 -1.943 14.019 1.00 0.00 C ATOM 0 H PHE A 5 -7.553 -1.581 16.986 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.469 0.539 15.082 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.204 -2.420 14.993 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.275 -1.409 13.563 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.227 -0.424 12.598 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.058 -2.955 16.065 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.777 -0.660 12.306 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.607 -3.192 15.771 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.468 -2.048 13.890 1.00 0.00 H new ATOM 83 N THR A 6 -9.810 1.181 14.576 1.00 0.00 N ATOM 84 CA THR A 6 -11.178 1.650 14.385 1.00 0.00 C ATOM 85 C THR A 6 -11.839 0.914 13.227 1.00 0.00 C ATOM 86 O THR A 6 -11.162 0.335 12.377 1.00 0.00 O ATOM 87 CB THR A 6 -11.179 3.152 14.096 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.417 3.824 15.089 1.00 0.00 O ATOM 89 CG2 THR A 6 -12.616 3.682 14.108 1.00 0.00 C ATOM 0 H THR A 6 -9.097 1.758 14.130 1.00 0.00 H new ATOM 0 HA THR A 6 -11.739 1.452 15.298 1.00 0.00 H new ATOM 0 HB THR A 6 -10.739 3.331 13.115 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.415 4.786 14.904 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.611 4.752 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.200 3.168 13.344 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.062 3.503 15.087 1.00 0.00 H new ATOM 97 N VAL A 7 -13.165 0.946 13.199 1.00 0.00 N ATOM 98 CA VAL A 7 -13.913 0.282 12.140 1.00 0.00 C ATOM 99 C VAL A 7 -13.613 0.921 10.789 1.00 0.00 C ATOM 100 O VAL A 7 -13.428 0.226 9.791 1.00 0.00 O ATOM 101 CB VAL A 7 -15.417 0.357 12.426 1.00 0.00 C ATOM 102 CG1 VAL A 7 -16.201 -0.194 11.223 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.734 -0.466 13.680 1.00 0.00 C ATOM 0 H VAL A 7 -13.742 1.422 13.893 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.606 -0.764 12.109 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.708 1.394 12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.270 -0.139 11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.972 0.398 10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.918 -1.232 11.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.803 -0.416 13.888 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.444 -1.504 13.517 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.180 -0.064 14.529 1.00 0.00 H new ATOM 113 N GLN A 8 -13.577 2.248 10.763 1.00 0.00 N ATOM 114 CA GLN A 8 -13.312 2.969 9.525 1.00 0.00 C ATOM 115 C GLN A 8 -12.005 2.498 8.895 1.00 0.00 C ATOM 116 O GLN A 8 -11.918 2.330 7.681 1.00 0.00 O ATOM 117 CB GLN A 8 -13.227 4.471 9.806 1.00 0.00 C ATOM 118 CG GLN A 8 -14.602 4.991 10.231 1.00 0.00 C ATOM 119 CD GLN A 8 -14.515 6.473 10.574 1.00 0.00 C ATOM 120 OE1 GLN A 8 -13.757 6.862 11.463 1.00 0.00 O ATOM 121 NE2 GLN A 8 -15.252 7.329 9.921 1.00 0.00 N ATOM 0 H GLN A 8 -13.727 2.842 11.578 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.129 2.770 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.495 4.664 10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.886 4.999 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.323 4.837 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.961 4.430 11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.879 7.005 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.201 8.322 10.147 1.00 0.00 H new ATOM 130 N GLU A 9 -10.992 2.285 9.725 1.00 0.00 N ATOM 131 CA GLU A 9 -9.695 1.832 9.235 1.00 0.00 C ATOM 132 C GLU A 9 -9.784 0.400 8.712 1.00 0.00 C ATOM 133 O GLU A 9 -9.090 0.028 7.767 1.00 0.00 O ATOM 134 CB GLU A 9 -8.657 1.910 10.355 1.00 0.00 C ATOM 135 CG GLU A 9 -7.280 1.535 9.805 1.00 0.00 C ATOM 136 CD GLU A 9 -6.227 1.679 10.897 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.525 2.303 11.902 1.00 0.00 O ATOM 138 OE2 GLU A 9 -5.135 1.166 10.712 1.00 0.00 O ATOM 0 H GLU A 9 -11.042 2.417 10.735 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.392 2.483 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.632 2.917 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.931 1.236 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.294 0.510 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.030 2.176 8.960 1.00 0.00 H new ATOM 145 N LEU A 10 -10.640 -0.395 9.338 1.00 0.00 N ATOM 146 CA LEU A 10 -10.818 -1.789 8.942 1.00 0.00 C ATOM 147 C LEU A 10 -11.474 -1.884 7.571 1.00 0.00 C ATOM 148 O LEU A 10 -11.422 -2.925 6.918 1.00 0.00 O ATOM 149 CB LEU A 10 -11.668 -2.526 9.987 1.00 0.00 C ATOM 150 CG LEU A 10 -10.797 -2.905 11.205 1.00 0.00 C ATOM 151 CD1 LEU A 10 -11.687 -3.104 12.442 1.00 0.00 C ATOM 152 CD2 LEU A 10 -10.025 -4.210 10.924 1.00 0.00 C ATOM 0 H LEU A 10 -11.223 -0.101 10.122 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.836 -2.259 8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.497 -1.894 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.102 -3.424 9.547 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.087 -2.098 11.388 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.067 -3.371 13.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.223 -2.180 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.404 -3.903 12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.415 -4.466 11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.732 -5.016 10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.381 -4.072 10.055 1.00 0.00 H new ATOM 164 N LYS A 11 -12.096 -0.801 7.143 1.00 0.00 N ATOM 165 CA LYS A 11 -12.769 -0.787 5.857 1.00 0.00 C ATOM 166 C LYS A 11 -11.808 -1.196 4.752 1.00 0.00 C ATOM 167 O LYS A 11 -12.182 -1.921 3.830 1.00 0.00 O ATOM 168 CB LYS A 11 -13.299 0.621 5.577 1.00 0.00 C ATOM 169 CG LYS A 11 -14.389 1.001 6.590 1.00 0.00 C ATOM 170 CD LYS A 11 -15.734 0.392 6.176 1.00 0.00 C ATOM 171 CE LYS A 11 -16.814 0.820 7.166 1.00 0.00 C ATOM 172 NZ LYS A 11 -18.118 0.247 6.736 1.00 0.00 N ATOM 0 H LYS A 11 -12.149 0.075 7.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.597 -1.496 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.481 1.340 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.703 0.669 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.112 0.647 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.476 2.086 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.998 0.718 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.660 -0.695 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.563 0.475 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.876 1.907 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.861 0.534 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.354 0.597 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.052 -0.791 6.716 1.00 0.00 H new ATOM 186 N GLU A 12 -10.569 -0.738 4.843 1.00 0.00 N ATOM 187 CA GLU A 12 -9.579 -1.078 3.833 1.00 0.00 C ATOM 188 C GLU A 12 -9.308 -2.580 3.839 1.00 0.00 C ATOM 189 O GLU A 12 -9.197 -3.205 2.785 1.00 0.00 O ATOM 190 CB GLU A 12 -8.276 -0.317 4.108 1.00 0.00 C ATOM 191 CG GLU A 12 -7.345 -0.412 2.894 1.00 0.00 C ATOM 192 CD GLU A 12 -6.740 -1.810 2.811 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.527 -2.404 3.855 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.497 -2.264 1.706 1.00 0.00 O ATOM 0 H GLU A 12 -10.228 -0.138 5.594 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.965 -0.794 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.495 0.728 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.783 -0.731 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.899 -0.192 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.553 0.332 2.973 1.00 0.00 H new ATOM 201 N ARG A 13 -9.205 -3.153 5.032 1.00 0.00 N ATOM 202 CA ARG A 13 -8.947 -4.583 5.167 1.00 0.00 C ATOM 203 C ARG A 13 -10.161 -5.392 4.736 1.00 0.00 C ATOM 204 O ARG A 13 -10.031 -6.471 4.159 1.00 0.00 O ATOM 205 CB ARG A 13 -8.596 -4.913 6.619 1.00 0.00 C ATOM 206 CG ARG A 13 -7.297 -4.197 7.028 1.00 0.00 C ATOM 207 CD ARG A 13 -6.076 -4.945 6.480 1.00 0.00 C ATOM 208 NE ARG A 13 -4.848 -4.383 7.032 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.700 -4.449 6.364 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.658 -5.020 5.191 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.616 -3.948 6.885 1.00 0.00 N ATOM 0 H ARG A 13 -9.296 -2.653 5.916 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.108 -4.844 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.410 -4.608 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.478 -5.990 6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.304 -3.175 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.235 -4.135 8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.146 -6.003 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.058 -4.878 5.392 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.870 -3.932 7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.506 -5.416 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.777 -5.070 4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.649 -3.506 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.735 -3.998 6.374 1.00 0.00 H new ATOM 225 N ALA A 14 -11.343 -4.866 5.023 1.00 0.00 N ATOM 226 CA ALA A 14 -12.578 -5.550 4.668 1.00 0.00 C ATOM 227 C ALA A 14 -12.780 -5.540 3.157 1.00 0.00 C ATOM 228 O ALA A 14 -13.660 -6.225 2.635 1.00 0.00 O ATOM 229 CB ALA A 14 -13.765 -4.865 5.346 1.00 0.00 C ATOM 0 H ALA A 14 -11.473 -3.973 5.498 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.510 -6.584 5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.686 -5.382 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.634 -4.897 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.822 -3.827 5.018 1.00 0.00 H new ATOM 235 N LYS A 15 -11.964 -4.757 2.458 1.00 0.00 N ATOM 236 CA LYS A 15 -12.068 -4.666 1.005 1.00 0.00 C ATOM 237 C LYS A 15 -12.068 -6.061 0.385 1.00 0.00 C ATOM 238 O LYS A 15 -12.341 -6.225 -0.804 1.00 0.00 O ATOM 239 CB LYS A 15 -10.895 -3.852 0.443 1.00 0.00 C ATOM 240 CG LYS A 15 -11.186 -3.456 -1.001 1.00 0.00 C ATOM 241 CD LYS A 15 -10.072 -2.539 -1.503 1.00 0.00 C ATOM 242 CE LYS A 15 -10.320 -2.215 -2.971 1.00 0.00 C ATOM 243 NZ LYS A 15 -11.597 -1.458 -3.110 1.00 0.00 N ATOM 0 H LYS A 15 -11.230 -4.181 2.869 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.004 -4.167 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.736 -2.960 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.977 -4.438 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.252 -4.345 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.148 -2.948 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.045 -1.622 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.103 -3.023 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.493 -1.627 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.366 -3.135 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.626 -0.994 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.400 -2.113 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.657 -0.738 -2.362 1.00 0.00 H new ATOM 257 N VAL A 16 -11.765 -7.067 1.199 1.00 0.00 N ATOM 258 CA VAL A 16 -11.737 -8.443 0.717 1.00 0.00 C ATOM 259 C VAL A 16 -13.151 -9.007 0.639 1.00 0.00 C ATOM 260 O VAL A 16 -13.943 -8.857 1.571 1.00 0.00 O ATOM 261 CB VAL A 16 -10.893 -9.310 1.654 1.00 0.00 C ATOM 262 CG1 VAL A 16 -10.980 -10.777 1.219 1.00 0.00 C ATOM 263 CG2 VAL A 16 -9.435 -8.847 1.597 1.00 0.00 C ATOM 0 H VAL A 16 -11.537 -6.957 2.187 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.295 -8.451 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.269 -9.214 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.378 -11.391 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.018 -11.107 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.606 -10.877 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.831 -9.463 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.062 -8.943 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.372 -7.805 1.910 1.00 0.00 H new ATOM 273 N PHE A 17 -13.465 -9.658 -0.479 1.00 0.00 N ATOM 274 CA PHE A 17 -14.789 -10.245 -0.672 1.00 0.00 C ATOM 275 C PHE A 17 -14.811 -11.684 -0.174 1.00 0.00 C ATOM 276 O PHE A 17 -14.091 -12.540 -0.686 1.00 0.00 O ATOM 277 CB PHE A 17 -15.159 -10.217 -2.156 1.00 0.00 C ATOM 278 CG PHE A 17 -15.158 -8.791 -2.650 1.00 0.00 C ATOM 279 CD1 PHE A 17 -16.301 -7.998 -2.492 1.00 0.00 C ATOM 280 CD2 PHE A 17 -14.016 -8.261 -3.263 1.00 0.00 C ATOM 281 CE1 PHE A 17 -16.303 -6.674 -2.949 1.00 0.00 C ATOM 282 CE2 PHE A 17 -14.018 -6.937 -3.719 1.00 0.00 C ATOM 283 CZ PHE A 17 -15.161 -6.144 -3.563 1.00 0.00 C ATOM 0 H PHE A 17 -12.824 -9.792 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.512 -9.661 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.448 -10.812 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.142 -10.664 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.181 -8.407 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.134 -8.873 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.185 -6.062 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.137 -6.527 -4.191 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.162 -5.123 -3.916 1.00 0.00 H new ATOM 293 N ALA A 18 -15.642 -11.943 0.828 1.00 0.00 N ATOM 294 CA ALA A 18 -15.751 -13.283 1.390 1.00 0.00 C ATOM 295 C ALA A 18 -16.740 -13.278 2.542 1.00 0.00 C ATOM 296 O ALA A 18 -16.367 -13.504 3.690 1.00 0.00 O ATOM 297 CB ALA A 18 -14.380 -13.759 1.885 1.00 0.00 C ATOM 0 H ALA A 18 -16.247 -11.248 1.266 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.104 -13.964 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.472 -14.761 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.678 -13.777 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.014 -13.078 2.653 1.00 0.00 H new ATOM 303 N LYS A 19 -18.003 -13.011 2.234 1.00 0.00 N ATOM 304 CA LYS A 19 -19.024 -12.976 3.277 1.00 0.00 C ATOM 305 C LYS A 19 -19.459 -14.396 3.669 1.00 0.00 C ATOM 306 O LYS A 19 -20.023 -15.114 2.843 1.00 0.00 O ATOM 307 CB LYS A 19 -20.245 -12.186 2.788 1.00 0.00 C ATOM 308 CG LYS A 19 -21.111 -11.746 4.005 1.00 0.00 C ATOM 309 CD LYS A 19 -20.874 -10.265 4.342 1.00 0.00 C ATOM 310 CE LYS A 19 -19.466 -10.052 4.910 1.00 0.00 C ATOM 311 NZ LYS A 19 -18.469 -10.064 3.799 1.00 0.00 N ATOM 0 H LYS A 19 -18.342 -12.819 1.291 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.597 -12.488 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.921 -11.311 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.839 -12.799 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.166 -11.908 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.869 -12.363 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.005 -9.659 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.617 -9.929 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.418 -9.103 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.232 -10.835 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.827 -10.873 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.965 -10.146 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.920 -9.181 3.816 1.00 0.00 H new ATOM 325 N PRO A 20 -19.222 -14.818 4.895 1.00 0.00 N ATOM 326 CA PRO A 20 -19.616 -16.179 5.360 1.00 0.00 C ATOM 327 C PRO A 20 -21.117 -16.294 5.619 1.00 0.00 C ATOM 328 O PRO A 20 -21.821 -15.291 5.730 1.00 0.00 O ATOM 329 CB PRO A 20 -18.797 -16.370 6.648 1.00 0.00 C ATOM 330 CG PRO A 20 -18.588 -14.991 7.186 1.00 0.00 C ATOM 331 CD PRO A 20 -18.557 -14.051 5.974 1.00 0.00 C ATOM 0 HA PRO A 20 -19.416 -16.946 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.329 -16.996 7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.846 -16.861 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -19.391 -14.716 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.656 -14.931 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.083 -13.119 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -17.535 -13.787 5.702 1.00 0.00 H new ATOM 339 N ILE A 21 -21.597 -17.529 5.711 1.00 0.00 N ATOM 340 CA ILE A 21 -23.010 -17.777 5.955 1.00 0.00 C ATOM 341 C ILE A 21 -23.427 -17.159 7.284 1.00 0.00 C ATOM 342 O ILE A 21 -22.651 -17.136 8.241 1.00 0.00 O ATOM 343 CB ILE A 21 -23.284 -19.279 5.985 1.00 0.00 C ATOM 344 CG1 ILE A 21 -22.602 -19.949 4.786 1.00 0.00 C ATOM 345 CG2 ILE A 21 -24.793 -19.528 5.920 1.00 0.00 C ATOM 346 CD1 ILE A 21 -22.990 -19.235 3.486 1.00 0.00 C ATOM 0 H ILE A 21 -21.029 -18.371 5.620 1.00 0.00 H new ATOM 0 HA ILE A 21 -23.587 -17.323 5.149 1.00 0.00 H new ATOM 0 HB ILE A 21 -22.888 -19.700 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -21.520 -19.924 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -22.892 -20.998 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -24.986 -20.601 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -25.277 -19.055 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -25.192 -19.106 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -22.499 -19.721 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -24.071 -19.283 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -22.677 -18.192 3.536 1.00 0.00 H new ATOM 358 N GLY A 22 -24.654 -16.651 7.331 1.00 0.00 N ATOM 359 CA GLY A 22 -25.173 -16.023 8.543 1.00 0.00 C ATOM 360 C GLY A 22 -24.807 -14.545 8.590 1.00 0.00 C ATOM 361 O GLY A 22 -25.033 -13.809 7.629 1.00 0.00 O ATOM 0 H GLY A 22 -25.307 -16.661 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.257 -16.135 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.771 -16.529 9.420 1.00 0.00 H new ATOM 365 N ALA A 23 -24.245 -14.114 9.715 1.00 0.00 N ATOM 366 CA ALA A 23 -23.856 -12.718 9.876 1.00 0.00 C ATOM 367 C ALA A 23 -22.914 -12.557 11.065 1.00 0.00 C ATOM 368 O ALA A 23 -23.106 -11.679 11.905 1.00 0.00 O ATOM 369 CB ALA A 23 -25.099 -11.853 10.088 1.00 0.00 C ATOM 0 H ALA A 23 -24.050 -14.706 10.522 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.339 -12.398 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.801 -10.811 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -25.758 -11.945 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.625 -12.185 10.983 1.00 0.00 H new ATOM 375 N SER A 24 -21.899 -13.412 11.128 1.00 0.00 N ATOM 376 CA SER A 24 -20.933 -13.356 12.219 1.00 0.00 C ATOM 377 C SER A 24 -19.908 -12.254 11.973 1.00 0.00 C ATOM 378 O SER A 24 -19.187 -11.846 12.884 1.00 0.00 O ATOM 379 CB SER A 24 -20.216 -14.700 12.351 1.00 0.00 C ATOM 380 OG SER A 24 -21.119 -15.665 12.875 1.00 0.00 O ATOM 0 H SER A 24 -21.724 -14.147 10.442 1.00 0.00 H new ATOM 0 HA SER A 24 -21.470 -13.138 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.844 -15.024 11.379 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.351 -14.601 13.007 1.00 0.00 H new ATOM 0 HG SER A 24 -20.663 -16.528 12.959 1.00 0.00 H new ATOM 386 N TYR A 25 -19.848 -11.776 10.734 1.00 0.00 N ATOM 387 CA TYR A 25 -18.907 -10.721 10.376 1.00 0.00 C ATOM 388 C TYR A 25 -19.324 -9.397 11.006 1.00 0.00 C ATOM 389 O TYR A 25 -18.484 -8.626 11.468 1.00 0.00 O ATOM 390 CB TYR A 25 -18.844 -10.567 8.855 1.00 0.00 C ATOM 391 CG TYR A 25 -17.865 -9.473 8.501 1.00 0.00 C ATOM 392 CD1 TYR A 25 -16.495 -9.756 8.434 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.324 -8.177 8.237 1.00 0.00 C ATOM 394 CE1 TYR A 25 -15.585 -8.744 8.105 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.414 -7.165 7.908 1.00 0.00 C ATOM 396 CZ TYR A 25 -16.046 -7.448 7.842 1.00 0.00 C ATOM 397 OH TYR A 25 -15.148 -6.450 7.517 1.00 0.00 O ATOM 0 H TYR A 25 -20.436 -12.100 9.966 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.922 -10.997 10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.537 -11.507 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.832 -10.327 8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.140 -10.756 8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.380 -7.958 8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.529 -8.963 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.769 -6.165 7.705 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.632 -5.612 7.364 1.00 0.00 H new ATOM 407 N GLN A 26 -20.627 -9.137 11.017 1.00 0.00 N ATOM 408 CA GLN A 26 -21.143 -7.898 11.587 1.00 0.00 C ATOM 409 C GLN A 26 -20.844 -7.832 13.082 1.00 0.00 C ATOM 410 O GLN A 26 -20.555 -6.763 13.619 1.00 0.00 O ATOM 411 CB GLN A 26 -22.657 -7.806 11.362 1.00 0.00 C ATOM 412 CG GLN A 26 -23.150 -6.387 11.669 1.00 0.00 C ATOM 413 CD GLN A 26 -23.168 -6.157 13.177 1.00 0.00 C ATOM 414 OE1 GLN A 26 -22.454 -5.292 13.684 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.947 -6.887 13.929 1.00 0.00 N ATOM 0 H GLN A 26 -21.340 -9.762 10.641 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.652 -7.061 11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.896 -8.067 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.172 -8.524 12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.500 -5.655 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -24.150 -6.243 11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.538 -7.603 13.507 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.965 -6.741 14.938 1.00 0.00 H new ATOM 424 N GLY A 27 -20.917 -8.979 13.747 1.00 0.00 N ATOM 425 CA GLY A 27 -20.653 -9.038 15.180 1.00 0.00 C ATOM 426 C GLY A 27 -19.241 -8.558 15.490 1.00 0.00 C ATOM 427 O GLY A 27 -18.975 -8.038 16.574 1.00 0.00 O ATOM 0 H GLY A 27 -21.155 -9.875 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.377 -8.422 15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.781 -10.060 15.536 1.00 0.00 H new ATOM 431 N ILE A 28 -18.338 -8.737 14.533 1.00 0.00 N ATOM 432 CA ILE A 28 -16.952 -8.319 14.715 1.00 0.00 C ATOM 433 C ILE A 28 -16.855 -6.799 14.760 1.00 0.00 C ATOM 434 O ILE A 28 -15.908 -6.244 15.320 1.00 0.00 O ATOM 435 CB ILE A 28 -16.087 -8.852 13.572 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.199 -10.378 13.524 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.627 -8.455 13.808 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.491 -10.906 12.275 1.00 0.00 C ATOM 0 H ILE A 28 -18.538 -9.165 13.629 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.592 -8.726 15.660 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.429 -8.430 12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.753 -10.814 14.418 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.248 -10.676 13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.010 -8.835 12.993 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.547 -7.369 13.847 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.283 -8.879 14.752 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.572 -11.993 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.957 -10.481 11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.439 -10.621 12.305 1.00 0.00 H new ATOM 450 N LEU A 29 -17.836 -6.127 14.163 1.00 0.00 N ATOM 451 CA LEU A 29 -17.852 -4.665 14.133 1.00 0.00 C ATOM 452 C LEU A 29 -18.594 -4.114 15.341 1.00 0.00 C ATOM 453 O LEU A 29 -18.176 -3.124 15.943 1.00 0.00 O ATOM 454 CB LEU A 29 -18.533 -4.183 12.850 1.00 0.00 C ATOM 455 CG LEU A 29 -17.645 -4.510 11.639 1.00 0.00 C ATOM 456 CD1 LEU A 29 -18.428 -4.249 10.347 1.00 0.00 C ATOM 457 CD2 LEU A 29 -16.359 -3.651 11.658 1.00 0.00 C ATOM 0 H LEU A 29 -18.628 -6.568 13.695 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.823 -4.305 14.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -19.505 -4.663 12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.712 -3.109 12.903 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.357 -5.560 11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -17.799 -4.481 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.317 -4.879 10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.725 -3.201 10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.744 -3.898 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.626 -2.595 11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.799 -3.854 12.571 1.00 0.00 H new ATOM 469 N ASP A 30 -19.696 -4.758 15.696 1.00 0.00 N ATOM 470 CA ASP A 30 -20.483 -4.321 16.842 1.00 0.00 C ATOM 471 C ASP A 30 -19.659 -4.391 18.126 1.00 0.00 C ATOM 472 O ASP A 30 -19.685 -3.470 18.938 1.00 0.00 O ATOM 473 CB ASP A 30 -21.726 -5.196 16.984 1.00 0.00 C ATOM 474 CG ASP A 30 -22.564 -4.727 18.170 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.100 -3.862 18.894 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.658 -5.241 18.336 1.00 0.00 O ATOM 0 H ASP A 30 -20.064 -5.578 15.213 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.782 -3.286 16.676 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.318 -5.151 16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.434 -6.237 17.124 1.00 0.00 H new ATOM 481 N GLN A 31 -18.931 -5.488 18.300 1.00 0.00 N ATOM 482 CA GLN A 31 -18.111 -5.668 19.492 1.00 0.00 C ATOM 483 C GLN A 31 -16.998 -4.625 19.545 1.00 0.00 C ATOM 484 O GLN A 31 -16.628 -4.157 20.619 1.00 0.00 O ATOM 485 CB GLN A 31 -17.502 -7.079 19.502 1.00 0.00 C ATOM 486 CG GLN A 31 -18.520 -8.085 20.048 1.00 0.00 C ATOM 487 CD GLN A 31 -19.754 -8.118 19.155 1.00 0.00 C ATOM 488 OE1 GLN A 31 -20.511 -7.148 19.106 1.00 0.00 O ATOM 489 NE2 GLN A 31 -20.004 -9.182 18.442 1.00 0.00 N ATOM 0 H GLN A 31 -18.892 -6.261 17.636 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.747 -5.542 20.368 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.204 -7.362 18.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.601 -7.091 20.116 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -18.071 -9.077 20.098 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -18.804 -7.812 21.064 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.375 -9.984 18.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.828 -9.212 17.842 1.00 0.00 H new ATOM 498 N LEU A 32 -16.478 -4.263 18.383 1.00 0.00 N ATOM 499 CA LEU A 32 -15.409 -3.278 18.317 1.00 0.00 C ATOM 500 C LEU A 32 -15.885 -1.956 18.910 1.00 0.00 C ATOM 501 O LEU A 32 -15.110 -1.211 19.499 1.00 0.00 O ATOM 502 CB LEU A 32 -14.963 -3.083 16.857 1.00 0.00 C ATOM 503 CG LEU A 32 -13.948 -4.172 16.462 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.706 -4.112 14.947 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.610 -3.968 17.221 1.00 0.00 C ATOM 0 H LEU A 32 -16.775 -4.632 17.480 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.557 -3.634 18.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.829 -3.125 16.196 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.516 -2.097 16.734 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.350 -5.149 16.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.988 -4.881 14.662 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.646 -4.281 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.312 -3.131 14.680 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.904 -4.746 16.930 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.196 -2.991 16.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.789 -4.023 18.295 1.00 0.00 H new ATOM 517 N ASP A 33 -17.159 -1.664 18.748 1.00 0.00 N ATOM 518 CA ASP A 33 -17.708 -0.435 19.296 1.00 0.00 C ATOM 519 C ASP A 33 -17.811 -0.518 20.819 1.00 0.00 C ATOM 520 O ASP A 33 -17.396 0.394 21.535 1.00 0.00 O ATOM 521 CB ASP A 33 -19.079 -0.168 18.694 1.00 0.00 C ATOM 522 CG ASP A 33 -18.925 0.226 17.229 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.806 0.500 16.824 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.926 0.252 16.537 1.00 0.00 O ATOM 0 H ASP A 33 -17.828 -2.250 18.249 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.038 0.386 19.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.704 -1.057 18.778 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.581 0.628 19.245 1.00 0.00 H new ATOM 529 N LEU A 34 -18.382 -1.622 21.304 1.00 0.00 N ATOM 530 CA LEU A 34 -18.558 -1.830 22.743 1.00 0.00 C ATOM 531 C LEU A 34 -17.219 -1.974 23.462 1.00 0.00 C ATOM 532 O LEU A 34 -17.030 -1.435 24.548 1.00 0.00 O ATOM 533 CB LEU A 34 -19.416 -3.084 22.994 1.00 0.00 C ATOM 534 CG LEU A 34 -20.903 -2.724 22.937 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.240 -2.131 21.571 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.736 -3.985 23.168 1.00 0.00 C ATOM 0 H LEU A 34 -18.730 -2.385 20.723 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.063 -0.951 23.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.189 -3.845 22.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.174 -3.511 23.967 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.128 -1.989 23.710 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.299 -1.877 21.536 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.645 -1.232 21.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.016 -2.860 20.792 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.796 -3.733 23.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.508 -4.718 22.395 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.499 -4.404 24.146 1.00 0.00 H new ATOM 548 N VAL A 35 -16.304 -2.717 22.858 1.00 0.00 N ATOM 549 CA VAL A 35 -15.004 -2.942 23.471 1.00 0.00 C ATOM 550 C VAL A 35 -14.358 -1.606 23.842 1.00 0.00 C ATOM 551 O VAL A 35 -13.521 -1.537 24.737 1.00 0.00 O ATOM 552 CB VAL A 35 -14.093 -3.722 22.502 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.380 -2.761 21.535 1.00 0.00 C ATOM 554 CG2 VAL A 35 -13.046 -4.512 23.298 1.00 0.00 C ATOM 0 H VAL A 35 -16.435 -3.170 21.954 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.139 -3.529 24.379 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.712 -4.408 21.924 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.742 -3.331 20.860 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.122 -2.211 20.956 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.770 -2.059 22.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.404 -5.062 22.610 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.440 -3.823 23.887 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.548 -5.213 23.964 1.00 0.00 H new ATOM 564 N HIS A 36 -14.746 -0.552 23.129 1.00 0.00 N ATOM 565 CA HIS A 36 -14.189 0.771 23.376 1.00 0.00 C ATOM 566 C HIS A 36 -14.873 1.427 24.567 1.00 0.00 C ATOM 567 O HIS A 36 -14.217 2.020 25.425 1.00 0.00 O ATOM 568 CB HIS A 36 -14.361 1.649 22.136 1.00 0.00 C ATOM 569 CG HIS A 36 -13.755 2.999 22.395 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.389 3.179 22.548 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.313 4.246 22.530 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.173 4.489 22.765 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.312 5.185 22.764 1.00 0.00 N ATOM 0 H HIS A 36 -15.439 -0.589 22.381 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.128 0.662 23.599 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.882 1.181 21.276 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.419 1.753 21.894 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.368 4.465 22.465 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.197 4.924 22.921 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.425 6.189 22.904 1.00 0.00 H new ATOM 581 N GLN A 37 -16.197 1.317 24.616 1.00 0.00 N ATOM 582 CA GLN A 37 -16.967 1.906 25.710 1.00 0.00 C ATOM 583 C GLN A 37 -17.004 0.963 26.909 1.00 0.00 C ATOM 584 O GLN A 37 -17.369 1.362 28.014 1.00 0.00 O ATOM 585 CB GLN A 37 -18.395 2.195 25.243 1.00 0.00 C ATOM 586 CG GLN A 37 -18.371 3.304 24.189 1.00 0.00 C ATOM 587 CD GLN A 37 -19.778 3.542 23.652 1.00 0.00 C ATOM 588 OE1 GLN A 37 -20.546 2.595 23.477 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.166 4.759 23.383 1.00 0.00 N ATOM 0 H GLN A 37 -16.757 0.829 23.917 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.485 2.837 26.010 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -18.843 1.293 24.827 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -19.012 2.496 26.089 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -17.979 4.223 24.625 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -17.703 3.028 23.373 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -19.528 5.542 23.529 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -21.107 4.927 23.027 1.00 0.00 H new ATOM 598 N ALA A 38 -16.622 -0.289 26.684 1.00 0.00 N ATOM 599 CA ALA A 38 -16.613 -1.280 27.754 1.00 0.00 C ATOM 600 C ALA A 38 -15.414 -1.070 28.671 1.00 0.00 C ATOM 601 O ALA A 38 -14.456 -0.387 28.313 1.00 0.00 O ATOM 602 CB ALA A 38 -16.558 -2.687 27.161 1.00 0.00 C ATOM 0 H ALA A 38 -16.316 -0.641 25.777 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.527 -1.164 28.336 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.552 -3.421 27.966 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.431 -2.850 26.529 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.652 -2.795 26.564 1.00 0.00 H new ATOM 608 N LYS A 39 -15.477 -1.667 29.853 1.00 0.00 N ATOM 609 CA LYS A 39 -14.388 -1.546 30.813 1.00 0.00 C ATOM 610 C LYS A 39 -14.519 -2.593 31.914 1.00 0.00 C ATOM 611 O LYS A 39 -15.618 -2.880 32.387 1.00 0.00 O ATOM 612 CB LYS A 39 -14.394 -0.148 31.436 1.00 0.00 C ATOM 613 CG LYS A 39 -13.057 0.114 32.157 1.00 0.00 C ATOM 614 CD LYS A 39 -12.029 0.679 31.172 1.00 0.00 C ATOM 615 CE LYS A 39 -10.722 0.968 31.911 1.00 0.00 C ATOM 616 NZ LYS A 39 -9.726 1.510 30.947 1.00 0.00 N ATOM 0 H LYS A 39 -16.263 -2.235 30.169 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.448 -1.707 30.285 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.553 0.603 30.662 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.220 -0.059 32.141 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.209 0.815 32.978 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.683 -0.812 32.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.853 -0.032 30.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.411 1.592 30.715 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.895 1.684 32.715 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.341 0.057 32.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.834 1.709 31.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.555 0.812 30.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.092 2.389 30.527 1.00 0.00 H new ATOM 630 N GLY A 40 -13.386 -3.158 32.322 1.00 0.00 N ATOM 631 CA GLY A 40 -13.383 -4.170 33.373 1.00 0.00 C ATOM 632 C GLY A 40 -13.823 -5.525 32.830 1.00 0.00 C ATOM 633 O GLY A 40 -13.255 -6.033 31.864 1.00 0.00 O ATOM 0 H GLY A 40 -12.465 -2.934 31.944 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.383 -4.253 33.800 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.050 -3.864 34.179 1.00 0.00 H new ATOM 637 N ARG A 41 -14.837 -6.108 33.461 1.00 0.00 N ATOM 638 CA ARG A 41 -15.345 -7.409 33.036 1.00 0.00 C ATOM 639 C ARG A 41 -15.891 -7.338 31.614 1.00 0.00 C ATOM 640 O ARG A 41 -15.754 -8.283 30.838 1.00 0.00 O ATOM 641 CB ARG A 41 -16.451 -7.873 33.986 1.00 0.00 C ATOM 642 CG ARG A 41 -17.660 -6.939 33.863 1.00 0.00 C ATOM 643 CD ARG A 41 -18.686 -7.287 34.938 1.00 0.00 C ATOM 644 NE ARG A 41 -19.204 -8.636 34.724 1.00 0.00 N ATOM 645 CZ ARG A 41 -20.207 -8.862 33.881 1.00 0.00 C ATOM 646 NH1 ARG A 41 -20.745 -7.869 33.227 1.00 0.00 N ATOM 647 NH2 ARG A 41 -20.652 -10.077 33.706 1.00 0.00 N ATOM 0 H ARG A 41 -15.321 -5.704 34.263 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.521 -8.122 33.059 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.743 -8.896 33.748 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.085 -7.877 35.013 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.343 -5.902 33.970 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -18.108 -7.035 32.874 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.227 -7.218 35.924 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.505 -6.568 34.916 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.789 -9.418 35.230 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.396 -6.920 33.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.514 -8.042 32.580 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.230 -10.853 34.216 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.421 -10.250 33.059 1.00 0.00 H new ATOM 661 N ASP A 42 -16.515 -6.215 31.282 1.00 0.00 N ATOM 662 CA ASP A 42 -17.087 -6.037 29.955 1.00 0.00 C ATOM 663 C ASP A 42 -15.992 -6.078 28.891 1.00 0.00 C ATOM 664 O ASP A 42 -16.180 -6.649 27.819 1.00 0.00 O ATOM 665 CB ASP A 42 -17.827 -4.699 29.883 1.00 0.00 C ATOM 666 CG ASP A 42 -19.111 -4.768 30.700 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.454 -5.853 31.138 1.00 0.00 O ATOM 668 OD2 ASP A 42 -19.734 -3.733 30.876 1.00 0.00 O ATOM 0 H ASP A 42 -16.637 -5.419 31.909 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.789 -6.849 29.767 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.189 -3.900 30.261 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.059 -4.458 28.846 1.00 0.00 H new ATOM 673 N GLN A 43 -14.850 -5.468 29.195 1.00 0.00 N ATOM 674 CA GLN A 43 -13.736 -5.445 28.252 1.00 0.00 C ATOM 675 C GLN A 43 -13.181 -6.857 28.051 1.00 0.00 C ATOM 676 O GLN A 43 -12.901 -7.276 26.927 1.00 0.00 O ATOM 677 CB GLN A 43 -12.630 -4.504 28.785 1.00 0.00 C ATOM 678 CG GLN A 43 -12.635 -3.178 28.016 1.00 0.00 C ATOM 679 CD GLN A 43 -12.021 -3.386 26.638 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.911 -4.520 26.173 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.603 -2.356 25.959 1.00 0.00 N ATOM 0 H GLN A 43 -14.672 -4.988 30.077 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.088 -5.075 27.289 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.786 -4.315 29.847 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.657 -4.985 28.686 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.655 -2.806 27.919 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.072 -2.424 28.566 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.696 -1.417 26.347 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.183 -2.488 25.039 1.00 0.00 H new ATOM 690 N ILE A 44 -13.024 -7.580 29.149 1.00 0.00 N ATOM 691 CA ILE A 44 -12.495 -8.935 29.084 1.00 0.00 C ATOM 692 C ILE A 44 -13.459 -9.848 28.336 1.00 0.00 C ATOM 693 O ILE A 44 -13.046 -10.656 27.505 1.00 0.00 O ATOM 694 CB ILE A 44 -12.264 -9.476 30.499 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.136 -8.686 31.167 1.00 0.00 C ATOM 696 CG2 ILE A 44 -11.868 -10.954 30.424 1.00 0.00 C ATOM 697 CD1 ILE A 44 -11.094 -9.024 32.658 1.00 0.00 C ATOM 0 H ILE A 44 -13.253 -7.256 30.089 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.546 -8.911 28.548 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.180 -9.372 31.080 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.181 -8.929 30.701 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.295 -7.616 31.029 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.704 -11.338 31.431 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.666 -11.521 29.945 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.952 -11.056 29.843 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.291 -8.462 33.136 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.046 -8.759 33.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.915 -10.092 32.784 1.00 0.00 H new ATOM 709 N ALA A 45 -14.743 -9.714 28.639 1.00 0.00 N ATOM 710 CA ALA A 45 -15.756 -10.537 27.992 1.00 0.00 C ATOM 711 C ALA A 45 -15.724 -10.342 26.479 1.00 0.00 C ATOM 712 O ALA A 45 -15.837 -11.303 25.719 1.00 0.00 O ATOM 713 CB ALA A 45 -17.143 -10.174 28.527 1.00 0.00 C ATOM 0 H ALA A 45 -15.106 -9.049 29.322 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.542 -11.582 28.214 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.895 -10.794 28.038 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.174 -10.346 29.603 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.349 -9.124 28.321 1.00 0.00 H new ATOM 719 N ALA A 46 -15.568 -9.093 26.049 1.00 0.00 N ATOM 720 CA ALA A 46 -15.521 -8.784 24.628 1.00 0.00 C ATOM 721 C ALA A 46 -14.310 -9.435 23.980 1.00 0.00 C ATOM 722 O ALA A 46 -14.393 -9.959 22.871 1.00 0.00 O ATOM 723 CB ALA A 46 -15.462 -7.268 24.432 1.00 0.00 C ATOM 0 H ALA A 46 -15.473 -8.284 26.663 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.421 -9.177 24.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.427 -7.040 23.367 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.347 -6.809 24.872 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.570 -6.873 24.917 1.00 0.00 H new ATOM 729 N SER A 47 -13.185 -9.396 24.681 1.00 0.00 N ATOM 730 CA SER A 47 -11.961 -9.979 24.157 1.00 0.00 C ATOM 731 C SER A 47 -12.128 -11.479 23.942 1.00 0.00 C ATOM 732 O SER A 47 -11.518 -12.059 23.046 1.00 0.00 O ATOM 733 CB SER A 47 -10.800 -9.728 25.118 1.00 0.00 C ATOM 734 OG SER A 47 -11.012 -10.460 26.316 1.00 0.00 O ATOM 0 H SER A 47 -13.096 -8.971 25.604 1.00 0.00 H new ATOM 0 HA SER A 47 -11.744 -9.506 23.199 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.860 -10.029 24.656 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.720 -8.664 25.339 1.00 0.00 H new ATOM 0 HG SER A 47 -11.951 -10.383 26.584 1.00 0.00 H new ATOM 740 N PHE A 48 -12.953 -12.101 24.774 1.00 0.00 N ATOM 741 CA PHE A 48 -13.186 -13.536 24.675 1.00 0.00 C ATOM 742 C PHE A 48 -13.756 -13.895 23.307 1.00 0.00 C ATOM 743 O PHE A 48 -13.324 -14.862 22.681 1.00 0.00 O ATOM 744 CB PHE A 48 -14.162 -13.978 25.765 1.00 0.00 C ATOM 745 CG PHE A 48 -14.266 -15.487 25.768 1.00 0.00 C ATOM 746 CD1 PHE A 48 -13.193 -16.257 26.233 1.00 0.00 C ATOM 747 CD2 PHE A 48 -15.431 -16.116 25.308 1.00 0.00 C ATOM 748 CE1 PHE A 48 -13.284 -17.654 26.240 1.00 0.00 C ATOM 749 CE2 PHE A 48 -15.520 -17.513 25.315 1.00 0.00 C ATOM 750 CZ PHE A 48 -14.447 -18.282 25.780 1.00 0.00 C ATOM 0 H PHE A 48 -13.470 -11.637 25.521 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.234 -14.050 24.805 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.821 -13.625 26.738 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.143 -13.536 25.591 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.295 -15.773 26.586 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.259 -15.523 24.948 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.457 -18.247 26.600 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.418 -17.998 24.961 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.517 -19.360 25.784 1.00 0.00 H new ATOM 760 N GLU A 49 -14.724 -13.113 22.848 1.00 0.00 N ATOM 761 CA GLU A 49 -15.336 -13.368 21.551 1.00 0.00 C ATOM 762 C GLU A 49 -14.328 -13.148 20.426 1.00 0.00 C ATOM 763 O GLU A 49 -14.121 -14.020 19.588 1.00 0.00 O ATOM 764 CB GLU A 49 -16.537 -12.435 21.352 1.00 0.00 C ATOM 765 CG GLU A 49 -17.704 -12.882 22.241 1.00 0.00 C ATOM 766 CD GLU A 49 -17.432 -12.493 23.689 1.00 0.00 C ATOM 767 OE1 GLU A 49 -17.409 -11.305 23.965 1.00 0.00 O ATOM 768 OE2 GLU A 49 -17.254 -13.386 24.500 1.00 0.00 O ATOM 0 H GLU A 49 -15.099 -12.306 23.347 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.669 -14.406 21.525 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.256 -11.410 21.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.843 -12.442 20.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.630 -12.420 21.899 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.838 -13.961 22.164 1.00 0.00 H new ATOM 775 N LEU A 50 -13.702 -11.983 20.414 1.00 0.00 N ATOM 776 CA LEU A 50 -12.724 -11.671 19.380 1.00 0.00 C ATOM 777 C LEU A 50 -11.552 -12.643 19.436 1.00 0.00 C ATOM 778 O LEU A 50 -11.072 -13.113 18.405 1.00 0.00 O ATOM 779 CB LEU A 50 -12.224 -10.235 19.565 1.00 0.00 C ATOM 780 CG LEU A 50 -13.229 -9.247 18.947 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.222 -9.345 17.401 1.00 0.00 C ATOM 782 CD2 LEU A 50 -14.635 -9.553 19.483 1.00 0.00 C ATOM 0 H LEU A 50 -13.850 -11.243 21.100 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.201 -11.767 18.405 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.094 -10.020 20.626 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.248 -10.117 19.094 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.940 -8.233 19.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.941 -8.637 16.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.226 -9.111 17.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.495 -10.356 17.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.350 -8.855 19.048 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.913 -10.572 19.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.641 -9.449 20.568 1.00 0.00 H new ATOM 794 N ASN A 51 -11.095 -12.941 20.640 1.00 0.00 N ATOM 795 CA ASN A 51 -9.979 -13.853 20.796 1.00 0.00 C ATOM 796 C ASN A 51 -10.331 -15.226 20.233 1.00 0.00 C ATOM 797 O ASN A 51 -9.545 -15.830 19.506 1.00 0.00 O ATOM 798 CB ASN A 51 -9.622 -13.980 22.276 1.00 0.00 C ATOM 799 CG ASN A 51 -9.004 -12.678 22.778 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.625 -11.821 21.982 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.881 -12.477 24.062 1.00 0.00 N ATOM 0 H ASN A 51 -11.474 -12.570 21.511 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.124 -13.458 20.247 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.515 -14.215 22.855 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.923 -14.803 22.420 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.470 -11.609 24.405 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.196 -13.188 24.722 1.00 0.00 H new ATOM 808 N LYS A 52 -11.522 -15.709 20.573 1.00 0.00 N ATOM 809 CA LYS A 52 -11.970 -17.010 20.091 1.00 0.00 C ATOM 810 C LYS A 52 -12.198 -16.975 18.583 1.00 0.00 C ATOM 811 O LYS A 52 -11.755 -17.866 17.856 1.00 0.00 O ATOM 812 CB LYS A 52 -13.264 -17.410 20.794 1.00 0.00 C ATOM 813 CG LYS A 52 -13.614 -18.863 20.446 1.00 0.00 C ATOM 814 CD LYS A 52 -15.014 -19.194 20.967 1.00 0.00 C ATOM 815 CE LYS A 52 -15.021 -19.185 22.498 1.00 0.00 C ATOM 816 NZ LYS A 52 -16.244 -19.877 22.991 1.00 0.00 N ATOM 0 H LYS A 52 -12.188 -15.224 21.174 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.195 -17.744 20.313 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.152 -17.301 21.873 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.074 -16.748 20.489 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.573 -19.009 19.367 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.882 -19.539 20.887 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.733 -18.467 20.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.325 -20.172 20.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.129 -19.683 22.880 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.996 -18.160 22.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.330 -19.741 24.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.081 -19.481 22.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.176 -20.893 22.781 1.00 0.00 H new ATOM 830 N LYS A 53 -12.903 -15.946 18.122 1.00 0.00 N ATOM 831 CA LYS A 53 -13.198 -15.811 16.700 1.00 0.00 C ATOM 832 C LYS A 53 -11.912 -15.656 15.897 1.00 0.00 C ATOM 833 O LYS A 53 -11.720 -16.326 14.884 1.00 0.00 O ATOM 834 CB LYS A 53 -14.096 -14.593 16.467 1.00 0.00 C ATOM 835 CG LYS A 53 -15.497 -14.868 17.009 1.00 0.00 C ATOM 836 CD LYS A 53 -16.361 -13.618 16.826 1.00 0.00 C ATOM 837 CE LYS A 53 -17.740 -13.871 17.425 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.604 -12.672 17.224 1.00 0.00 N ATOM 0 H LYS A 53 -13.278 -15.199 18.707 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.713 -16.713 16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.672 -13.718 16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.147 -14.366 15.402 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.943 -15.713 16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.445 -15.138 18.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.892 -12.762 17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.450 -13.374 15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.196 -14.743 16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.650 -14.092 18.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.543 -12.848 17.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.171 -11.850 17.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.701 -12.480 16.206 1.00 0.00 H new ATOM 852 N ILE A 54 -11.033 -14.775 16.359 1.00 0.00 N ATOM 853 CA ILE A 54 -9.770 -14.555 15.670 1.00 0.00 C ATOM 854 C ILE A 54 -8.879 -15.790 15.777 1.00 0.00 C ATOM 855 O ILE A 54 -8.278 -16.220 14.792 1.00 0.00 O ATOM 856 CB ILE A 54 -9.048 -13.348 16.278 1.00 0.00 C ATOM 857 CG1 ILE A 54 -9.833 -12.068 15.956 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.629 -13.241 15.702 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.283 -10.904 16.787 1.00 0.00 C ATOM 0 H ILE A 54 -11.169 -14.209 17.196 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.979 -14.362 14.618 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.984 -13.475 17.359 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.754 -11.839 14.893 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.891 -12.214 16.172 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.123 -12.380 16.139 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.072 -14.148 15.937 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.684 -13.119 14.620 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.842 -9.997 16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.385 -11.134 17.848 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.230 -10.752 16.549 1.00 0.00 H new ATOM 871 N ASN A 55 -8.797 -16.353 16.976 1.00 0.00 N ATOM 872 CA ASN A 55 -7.972 -17.533 17.194 1.00 0.00 C ATOM 873 C ASN A 55 -8.487 -18.709 16.370 1.00 0.00 C ATOM 874 O ASN A 55 -7.715 -19.414 15.720 1.00 0.00 O ATOM 875 CB ASN A 55 -7.973 -17.903 18.677 1.00 0.00 C ATOM 876 CG ASN A 55 -7.155 -19.171 18.900 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.719 -20.254 19.064 1.00 0.00 O ATOM 878 ND2 ASN A 55 -5.853 -19.101 18.918 1.00 0.00 N ATOM 0 H ASN A 55 -9.287 -16.015 17.805 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.954 -17.305 16.878 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.557 -17.084 19.265 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.996 -18.055 19.021 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.299 -19.944 19.068 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.389 -18.203 18.782 1.00 0.00 H new ATOM 885 N ASP A 56 -9.800 -18.911 16.406 1.00 0.00 N ATOM 886 CA ASP A 56 -10.420 -20.002 15.661 1.00 0.00 C ATOM 887 C ASP A 56 -10.283 -19.773 14.162 1.00 0.00 C ATOM 888 O ASP A 56 -10.068 -20.711 13.397 1.00 0.00 O ATOM 889 CB ASP A 56 -11.899 -20.118 16.031 1.00 0.00 C ATOM 890 CG ASP A 56 -12.466 -21.431 15.503 1.00 0.00 C ATOM 891 OD1 ASP A 56 -11.679 -22.278 15.111 1.00 0.00 O ATOM 892 OD2 ASP A 56 -13.677 -21.572 15.499 1.00 0.00 O ATOM 0 H ASP A 56 -10.453 -18.337 16.940 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.910 -20.929 15.923 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.017 -20.071 17.114 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.454 -19.278 15.613 1.00 0.00 H new ATOM 897 N TYR A 57 -10.414 -18.518 13.747 1.00 0.00 N ATOM 898 CA TYR A 57 -10.315 -18.176 12.334 1.00 0.00 C ATOM 899 C TYR A 57 -8.966 -18.611 11.776 1.00 0.00 C ATOM 900 O TYR A 57 -8.886 -19.163 10.678 1.00 0.00 O ATOM 901 CB TYR A 57 -10.487 -16.667 12.150 1.00 0.00 C ATOM 902 CG TYR A 57 -10.418 -16.328 10.678 1.00 0.00 C ATOM 903 CD1 TYR A 57 -11.501 -16.633 9.844 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.279 -15.709 10.147 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.446 -16.318 8.482 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.226 -15.394 8.784 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.309 -15.700 7.951 1.00 0.00 C ATOM 908 OH TYR A 57 -10.254 -15.391 6.607 1.00 0.00 O ATOM 0 H TYR A 57 -10.588 -17.725 14.365 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.105 -18.698 11.793 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.443 -16.346 12.564 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.709 -16.132 12.694 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.379 -17.112 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.442 -15.475 10.789 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.282 -16.552 7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.349 -14.915 8.375 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.395 -14.965 6.404 1.00 0.00 H new ATOM 918 N ILE A 58 -7.906 -18.360 12.536 1.00 0.00 N ATOM 919 CA ILE A 58 -6.564 -18.734 12.102 1.00 0.00 C ATOM 920 C ILE A 58 -6.453 -20.251 11.958 1.00 0.00 C ATOM 921 O ILE A 58 -5.904 -20.751 10.977 1.00 0.00 O ATOM 922 CB ILE A 58 -5.535 -18.241 13.122 1.00 0.00 C ATOM 923 CG1 ILE A 58 -5.491 -16.712 13.102 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.149 -18.790 12.765 1.00 0.00 C ATOM 925 CD1 ILE A 58 -4.735 -16.205 14.332 1.00 0.00 C ATOM 0 H ILE A 58 -7.948 -17.904 13.447 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.370 -18.273 11.134 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.819 -18.589 14.115 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.001 -16.364 12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.504 -16.309 13.093 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.419 -18.437 13.493 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.175 -19.880 12.777 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.866 -18.444 11.771 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.704 -15.116 14.317 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.243 -16.541 15.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.718 -16.597 14.321 1.00 0.00 H new ATOM 937 N ALA A 59 -6.977 -20.975 12.940 1.00 0.00 N ATOM 938 CA ALA A 59 -6.926 -22.434 12.912 1.00 0.00 C ATOM 939 C ALA A 59 -7.704 -22.978 11.718 1.00 0.00 C ATOM 940 O ALA A 59 -7.289 -23.947 11.084 1.00 0.00 O ATOM 941 CB ALA A 59 -7.508 -23.002 14.204 1.00 0.00 C ATOM 0 H ALA A 59 -7.439 -20.581 13.760 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.884 -22.738 12.819 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.466 -24.091 14.174 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.930 -22.640 15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.545 -22.682 14.308 1.00 0.00 H new ATOM 947 N GLU A 60 -8.835 -22.350 11.424 1.00 0.00 N ATOM 948 CA GLU A 60 -9.667 -22.779 10.305 1.00 0.00 C ATOM 949 C GLU A 60 -9.002 -22.445 8.974 1.00 0.00 C ATOM 950 O GLU A 60 -9.041 -23.239 8.034 1.00 0.00 O ATOM 951 CB GLU A 60 -11.033 -22.097 10.374 1.00 0.00 C ATOM 952 CG GLU A 60 -11.816 -22.643 11.569 1.00 0.00 C ATOM 953 CD GLU A 60 -13.144 -21.907 11.700 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.428 -21.079 10.850 1.00 0.00 O ATOM 955 OE2 GLU A 60 -13.858 -22.180 12.651 1.00 0.00 O ATOM 0 H GLU A 60 -9.196 -21.548 11.940 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.794 -23.859 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.908 -21.018 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.586 -22.274 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.993 -23.711 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.233 -22.524 12.482 1.00 0.00 H new ATOM 962 N HIS A 61 -8.393 -21.261 8.897 1.00 0.00 N ATOM 963 CA HIS A 61 -7.721 -20.823 7.671 1.00 0.00 C ATOM 964 C HIS A 61 -6.375 -20.174 7.996 1.00 0.00 C ATOM 965 O HIS A 61 -6.201 -18.966 7.826 1.00 0.00 O ATOM 966 CB HIS A 61 -8.612 -19.827 6.924 1.00 0.00 C ATOM 967 CG HIS A 61 -10.041 -20.289 6.994 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.540 -21.274 6.156 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.089 -19.908 7.793 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.837 -21.451 6.466 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.224 -20.643 7.458 1.00 0.00 N ATOM 0 H HIS A 61 -8.351 -20.590 9.664 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.541 -21.694 7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.517 -18.835 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.294 -19.746 5.884 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.041 -19.153 8.564 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.486 -22.160 5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.151 -20.578 7.879 1.00 0.00 H new ATOM 979 N PRO A 62 -5.430 -20.953 8.464 1.00 0.00 N ATOM 980 CA PRO A 62 -4.075 -20.446 8.825 1.00 0.00 C ATOM 981 C PRO A 62 -3.224 -20.159 7.588 1.00 0.00 C ATOM 982 O PRO A 62 -2.190 -19.494 7.674 1.00 0.00 O ATOM 983 CB PRO A 62 -3.474 -21.579 9.671 1.00 0.00 C ATOM 984 CG PRO A 62 -4.168 -22.826 9.211 1.00 0.00 C ATOM 985 CD PRO A 62 -5.553 -22.403 8.693 1.00 0.00 C ATOM 0 HA PRO A 62 -4.117 -19.497 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.396 -21.651 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.639 -21.406 10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.596 -23.318 8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.263 -23.539 10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.812 -22.930 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.334 -22.626 9.420 1.00 0.00 H new ATOM 993 N THR A 63 -3.662 -20.672 6.441 1.00 0.00 N ATOM 994 CA THR A 63 -2.930 -20.477 5.189 1.00 0.00 C ATOM 995 C THR A 63 -3.546 -19.344 4.377 1.00 0.00 C ATOM 996 O THR A 63 -3.107 -19.055 3.262 1.00 0.00 O ATOM 997 CB THR A 63 -2.954 -21.770 4.369 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.282 -22.036 3.942 1.00 0.00 O ATOM 999 CG2 THR A 63 -2.450 -22.931 5.228 1.00 0.00 C ATOM 0 H THR A 63 -4.515 -21.223 6.351 1.00 0.00 H new ATOM 0 HA THR A 63 -1.899 -20.215 5.427 1.00 0.00 H new ATOM 0 HB THR A 63 -2.309 -21.658 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.297 -22.863 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.468 -23.851 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.430 -22.727 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.093 -23.044 6.101 1.00 0.00 H new ATOM 1007 N SER A 64 -4.564 -18.704 4.941 1.00 0.00 N ATOM 1008 CA SER A 64 -5.231 -17.602 4.258 1.00 0.00 C ATOM 1009 C SER A 64 -4.254 -16.460 3.999 1.00 0.00 C ATOM 1010 O SER A 64 -4.233 -15.883 2.911 1.00 0.00 O ATOM 1011 CB SER A 64 -6.397 -17.091 5.105 1.00 0.00 C ATOM 1012 OG SER A 64 -7.058 -16.042 4.409 1.00 0.00 O ATOM 0 H SER A 64 -4.943 -18.927 5.861 1.00 0.00 H new ATOM 0 HA SER A 64 -5.607 -17.969 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.095 -17.902 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.033 -16.732 6.067 1.00 0.00 H new ATOM 0 HG SER A 64 -7.807 -15.713 4.948 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.446 -16.138 5.007 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.467 -15.061 4.883 1.00 0.00 C ATOM 1020 C GLY A 65 -3.082 -13.726 5.281 1.00 0.00 C ATOM 1021 O GLY A 65 -2.388 -12.827 5.757 1.00 0.00 O ATOM 0 H GLY A 65 -3.450 -16.605 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.604 -15.272 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.105 -15.009 3.856 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.389 -13.602 5.082 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.088 -12.367 5.426 1.00 0.00 C ATOM 1027 C ARG A 66 -5.362 -12.307 6.925 1.00 0.00 C ATOM 1028 O ARG A 66 -5.634 -11.240 7.474 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.410 -12.279 4.657 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.919 -10.821 4.639 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.341 -10.082 3.428 1.00 0.00 C ATOM 1032 NE ARG A 66 -6.817 -10.702 2.199 1.00 0.00 N ATOM 1033 CZ ARG A 66 -6.282 -10.393 1.024 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -5.311 -9.525 0.960 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -6.724 -10.962 -0.064 1.00 0.00 N ATOM 0 H ARG A 66 -4.982 -14.333 4.688 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.454 -11.525 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.270 -12.636 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.154 -12.926 5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.008 -10.807 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.628 -10.314 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.637 -9.033 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.252 -10.107 3.461 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.574 -11.385 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.964 -9.085 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.899 -9.286 0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.481 -11.644 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.313 -10.725 -0.967 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.290 -13.460 7.578 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.539 -13.529 9.012 1.00 0.00 C ATOM 1051 C ASN A 67 -4.501 -12.717 9.779 1.00 0.00 C ATOM 1052 O ASN A 67 -4.696 -12.389 10.948 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.498 -14.986 9.475 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.079 -15.532 9.361 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -3.165 -14.813 8.952 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -3.836 -16.768 9.699 1.00 0.00 N ATOM 0 H ASN A 67 -5.063 -14.354 7.142 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.525 -13.110 9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.842 -15.058 10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.177 -15.587 8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.889 -17.140 9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.593 -17.362 10.037 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.398 -12.398 9.110 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.329 -11.627 9.736 1.00 0.00 C ATOM 1065 C GLN A 68 -2.883 -10.313 10.285 1.00 0.00 C ATOM 1066 O GLN A 68 -2.302 -9.711 11.186 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.212 -11.348 8.706 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.128 -12.426 8.800 1.00 0.00 C ATOM 1069 CD GLN A 68 -0.742 -13.799 8.552 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -1.429 -14.003 7.552 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -0.542 -14.757 9.414 1.00 0.00 N ATOM 0 H GLN A 68 -3.221 -12.659 8.140 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.911 -12.202 10.563 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.631 -11.329 7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.776 -10.366 8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.656 -12.231 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.340 -12.399 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.028 -14.587 10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.955 -15.677 9.259 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.005 -9.869 9.736 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.621 -8.628 10.190 1.00 0.00 C ATOM 1082 C ALA A 69 -5.494 -8.884 11.414 1.00 0.00 C ATOM 1083 O ALA A 69 -5.473 -8.117 12.375 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.465 -8.026 9.068 1.00 0.00 C ATOM 0 H ALA A 69 -4.504 -10.343 8.983 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.833 -7.927 10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.922 -7.099 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.830 -7.818 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.246 -8.731 8.782 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.269 -9.965 11.369 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.151 -10.309 12.481 1.00 0.00 C ATOM 1092 C LEU A 70 -6.345 -10.636 13.735 1.00 0.00 C ATOM 1093 O LEU A 70 -6.691 -10.211 14.835 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.028 -11.510 12.095 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.217 -11.036 11.260 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -8.708 -10.331 10.005 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.066 -12.242 10.864 1.00 0.00 C ATOM 0 H LEU A 70 -6.305 -10.613 10.582 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.785 -9.449 12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.441 -12.234 11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.382 -12.017 12.993 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.822 -10.341 11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.555 -9.993 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.100 -9.473 10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.105 -11.024 9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.916 -11.909 10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.462 -12.936 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.427 -12.743 11.762 1.00 0.00 H new ATOM 1109 N THR A 71 -5.268 -11.391 13.558 1.00 0.00 N ATOM 1110 CA THR A 71 -4.422 -11.769 14.681 1.00 0.00 C ATOM 1111 C THR A 71 -3.953 -10.528 15.432 1.00 0.00 C ATOM 1112 O THR A 71 -3.686 -10.580 16.630 1.00 0.00 O ATOM 1113 CB THR A 71 -3.213 -12.578 14.175 1.00 0.00 C ATOM 1114 OG1 THR A 71 -2.717 -13.388 15.229 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.105 -11.639 13.680 1.00 0.00 C ATOM 0 H THR A 71 -4.962 -11.751 12.654 1.00 0.00 H new ATOM 0 HA THR A 71 -5.000 -12.388 15.367 1.00 0.00 H new ATOM 0 HB THR A 71 -3.531 -13.207 13.344 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.948 -13.905 14.910 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.259 -12.229 13.327 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.486 -11.025 12.864 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.782 -10.995 14.498 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.844 -9.419 14.708 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.393 -8.172 15.306 1.00 0.00 C ATOM 1125 C GLN A 72 -4.386 -7.700 16.359 1.00 0.00 C ATOM 1126 O GLN A 72 -3.998 -7.216 17.423 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.232 -7.099 14.227 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.563 -5.868 14.834 1.00 0.00 C ATOM 1129 CD GLN A 72 -2.404 -4.783 13.774 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -3.330 -4.529 13.002 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -1.280 -4.126 13.687 1.00 0.00 N ATOM 0 H GLN A 72 -4.061 -9.360 13.713 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.429 -8.345 15.784 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.632 -7.484 13.402 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.205 -6.832 13.815 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.161 -5.492 15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.588 -6.137 15.240 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.515 -4.338 14.327 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.167 -3.401 12.979 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.671 -7.844 16.056 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.718 -7.428 16.983 1.00 0.00 C ATOM 1142 C LEU A 73 -6.663 -8.255 18.262 1.00 0.00 C ATOM 1143 O LEU A 73 -6.815 -7.726 19.361 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.091 -7.592 16.319 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.378 -6.393 15.391 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.350 -6.814 14.286 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.007 -5.246 16.198 1.00 0.00 C ATOM 0 H LEU A 73 -6.012 -8.243 15.181 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.560 -6.381 17.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.118 -8.519 15.747 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.866 -7.665 17.082 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.440 -6.059 14.949 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.549 -5.964 13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.910 -7.623 13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.284 -7.155 14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.207 -4.403 15.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.941 -5.586 16.646 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.320 -4.935 16.985 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.452 -9.553 18.112 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.394 -10.433 19.273 1.00 0.00 C ATOM 1161 C LYS A 74 -5.317 -9.977 20.254 1.00 0.00 C ATOM 1162 O LYS A 74 -5.590 -9.773 21.436 1.00 0.00 O ATOM 1163 CB LYS A 74 -6.089 -11.857 18.818 1.00 0.00 C ATOM 1164 CG LYS A 74 -6.037 -12.788 20.031 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.931 -14.241 19.562 1.00 0.00 C ATOM 1166 CE LYS A 74 -4.566 -14.490 18.911 1.00 0.00 C ATOM 1167 NZ LYS A 74 -4.314 -15.955 18.833 1.00 0.00 N ATOM 0 H LYS A 74 -6.320 -10.017 17.213 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.360 -10.398 19.777 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.853 -12.197 18.119 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.138 -11.883 18.287 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.183 -12.535 20.659 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.931 -12.657 20.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.066 -14.915 20.408 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.727 -14.460 18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.542 -14.052 17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.781 -14.005 19.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.323 -16.123 18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.503 -16.390 19.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.940 -16.377 18.118 1.00 0.00 H new ATOM 1181 N GLU A 75 -4.098 -9.816 19.755 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.990 -9.382 20.599 1.00 0.00 C ATOM 1183 C GLU A 75 -3.195 -7.945 21.058 1.00 0.00 C ATOM 1184 O GLU A 75 -2.806 -7.577 22.166 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.672 -9.495 19.834 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.758 -8.668 18.555 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.483 -8.835 17.737 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.006 -9.955 17.642 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -0.002 -7.843 17.216 1.00 0.00 O ATOM 0 H GLU A 75 -3.852 -9.978 18.778 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.954 -10.028 21.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.847 -9.143 20.454 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.467 -10.538 19.593 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.620 -8.982 17.967 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.906 -7.617 18.802 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.796 -7.132 20.198 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.030 -5.733 20.529 1.00 0.00 C ATOM 1198 C GLN A 76 -4.945 -5.610 21.742 1.00 0.00 C ATOM 1199 O GLN A 76 -4.618 -4.918 22.706 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.672 -5.017 19.340 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.870 -3.528 19.666 1.00 0.00 C ATOM 1202 CD GLN A 76 -6.143 -3.333 20.487 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -6.074 -3.082 21.688 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -7.305 -3.436 19.903 1.00 0.00 N ATOM 0 H GLN A 76 -4.127 -7.414 19.275 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.070 -5.273 20.763 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.041 -5.124 18.457 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.632 -5.476 19.103 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.010 -3.152 20.220 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.932 -2.951 18.743 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.358 -3.644 18.906 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.161 -3.308 20.443 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.095 -6.276 21.690 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.040 -6.217 22.797 1.00 0.00 C ATOM 1215 C VAL A 77 -6.400 -6.751 24.076 1.00 0.00 C ATOM 1216 O VAL A 77 -6.466 -6.115 25.127 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.281 -7.048 22.459 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -9.208 -7.128 23.676 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.029 -6.399 21.293 1.00 0.00 C ATOM 0 H VAL A 77 -6.391 -6.855 20.904 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.327 -5.178 22.956 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.969 -8.055 22.181 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.087 -7.721 23.425 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.679 -7.596 24.506 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.518 -6.123 23.964 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.912 -6.991 21.053 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.333 -5.390 21.572 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.375 -6.353 20.422 1.00 0.00 H new ATOM 1229 N THR A 78 -5.781 -7.923 23.977 1.00 0.00 N ATOM 1230 CA THR A 78 -5.132 -8.531 25.133 1.00 0.00 C ATOM 1231 C THR A 78 -3.994 -7.652 25.637 1.00 0.00 C ATOM 1232 O THR A 78 -3.827 -7.462 26.841 1.00 0.00 O ATOM 1233 CB THR A 78 -4.590 -9.912 24.764 1.00 0.00 C ATOM 1234 OG1 THR A 78 -3.679 -9.786 23.683 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.747 -10.826 24.354 1.00 0.00 C ATOM 0 H THR A 78 -5.715 -8.467 23.116 1.00 0.00 H new ATOM 0 HA THR A 78 -5.873 -8.633 25.926 1.00 0.00 H new ATOM 0 HB THR A 78 -4.078 -10.343 25.624 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.211 -10.636 23.549 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.358 -11.810 24.091 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.447 -10.922 25.184 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.262 -10.398 23.494 1.00 0.00 H new ATOM 1243 N SER A 79 -3.207 -7.125 24.703 1.00 0.00 N ATOM 1244 CA SER A 79 -2.082 -6.272 25.061 1.00 0.00 C ATOM 1245 C SER A 79 -2.568 -4.985 25.718 1.00 0.00 C ATOM 1246 O SER A 79 -1.948 -4.482 26.654 1.00 0.00 O ATOM 1247 CB SER A 79 -1.269 -5.926 23.813 1.00 0.00 C ATOM 1248 OG SER A 79 -2.108 -5.262 22.878 1.00 0.00 O ATOM 0 H SER A 79 -3.327 -7.273 23.701 1.00 0.00 H new ATOM 0 HA SER A 79 -1.455 -6.815 25.768 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.425 -5.289 24.079 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.857 -6.833 23.370 1.00 0.00 H new ATOM 0 HG SER A 79 -3.042 -5.336 23.166 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.681 -4.454 25.222 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.232 -3.223 25.772 1.00 0.00 C ATOM 1256 C ALA A 80 -4.539 -3.388 27.258 1.00 0.00 C ATOM 1257 O ALA A 80 -4.117 -2.577 28.082 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.511 -2.847 25.023 1.00 0.00 C ATOM 0 H ALA A 80 -4.213 -4.852 24.449 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.493 -2.430 25.653 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.919 -1.926 25.439 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.284 -2.700 23.967 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.243 -3.648 25.129 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.270 -4.443 27.591 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.621 -4.709 28.982 1.00 0.00 C ATOM 1266 C LEU A 81 -4.383 -5.092 29.785 1.00 0.00 C ATOM 1267 O LEU A 81 -4.304 -4.830 30.985 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.653 -5.832 29.050 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.830 -5.498 28.127 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.835 -6.656 28.148 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.521 -4.207 28.599 1.00 0.00 C ATOM 0 H LEU A 81 -5.630 -5.125 26.923 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.046 -3.802 29.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.199 -6.777 28.751 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.004 -5.957 30.074 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.460 -5.351 27.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.674 -6.422 27.492 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.347 -7.567 27.802 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.199 -6.803 29.165 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.356 -3.978 27.937 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.891 -4.343 29.615 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.807 -3.384 28.580 1.00 0.00 H new