USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 488 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 NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Single : A 103 SER OG : rot 8:sc= 0.961 USER MOD Single : A 110 THR OG1 : rot 52:sc= 0.342 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0015) USER MOD Single : A 120 LYS NZ :NH3+ -149:sc= -0.0995 (180deg=-0.609) USER MOD Single : A 123 TYR OH : rot -70:sc= -1.8 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00675 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.8!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -3.61 K(o=-3.6,f=-5.2) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -0.466 K(o=-0.47,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -20.514 34.256 18.556 1.00 0.00 N ATOM 2 CA ARG A 102 -21.982 34.456 18.380 1.00 0.00 C ATOM 3 C ARG A 102 -22.556 33.314 17.540 1.00 0.00 C ATOM 4 O ARG A 102 -23.649 32.840 17.790 1.00 0.00 O ATOM 5 CB ARG A 102 -22.235 35.788 17.673 1.00 0.00 C ATOM 6 CG ARG A 102 -22.465 36.884 18.717 1.00 0.00 C ATOM 7 CD ARG A 102 -23.945 36.918 19.103 1.00 0.00 C ATOM 8 NE ARG A 102 -24.669 37.871 18.214 1.00 0.00 N ATOM 9 CZ ARG A 102 -25.974 37.905 18.218 1.00 0.00 C ATOM 10 NH1 ARG A 102 -26.609 38.473 19.207 1.00 0.00 N ATOM 11 NH2 ARG A 102 -26.642 37.372 17.231 1.00 0.00 N ATOM 0 HA ARG A 102 -22.466 34.466 19.356 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -21.384 36.045 17.042 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -23.103 35.706 17.019 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.852 36.696 19.599 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.160 37.851 18.318 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -24.378 35.921 19.015 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -24.053 37.222 20.144 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.145 38.497 17.602 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -26.086 38.890 19.977 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -27.629 38.500 19.210 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.144 36.930 16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -27.662 37.398 17.233 1.00 0.00 H new ATOM 25 N SER A 103 -21.828 32.874 16.546 1.00 0.00 N ATOM 26 CA SER A 103 -22.325 31.763 15.683 1.00 0.00 C ATOM 27 C SER A 103 -21.613 30.464 16.057 1.00 0.00 C ATOM 28 O SER A 103 -20.412 30.337 15.901 1.00 0.00 O ATOM 29 CB SER A 103 -22.053 32.093 14.216 1.00 0.00 C ATOM 30 OG SER A 103 -20.650 32.070 13.982 1.00 0.00 O ATOM 0 H SER A 103 -20.909 33.238 16.295 1.00 0.00 H new ATOM 0 HA SER A 103 -23.398 31.642 15.833 1.00 0.00 H new ATOM 0 HB2 SER A 103 -22.553 31.371 13.570 1.00 0.00 H new ATOM 0 HB3 SER A 103 -22.458 33.075 13.971 1.00 0.00 H new ATOM 0 HG SER A 103 -20.192 31.722 14.775 1.00 0.00 H new ATOM 36 N PHE A 104 -22.348 29.500 16.551 1.00 0.00 N ATOM 37 CA PHE A 104 -21.730 28.202 16.939 1.00 0.00 C ATOM 38 C PHE A 104 -21.745 27.250 15.739 1.00 0.00 C ATOM 39 O PHE A 104 -22.381 26.211 15.755 1.00 0.00 O ATOM 40 CB PHE A 104 -22.516 27.581 18.091 1.00 0.00 C ATOM 41 CG PHE A 104 -22.349 28.419 19.337 1.00 0.00 C ATOM 42 CD1 PHE A 104 -23.057 29.619 19.473 1.00 0.00 C ATOM 43 CD2 PHE A 104 -21.492 27.992 20.358 1.00 0.00 C ATOM 44 CE1 PHE A 104 -22.907 30.394 20.629 1.00 0.00 C ATOM 45 CE2 PHE A 104 -21.342 28.767 21.515 1.00 0.00 C ATOM 46 CZ PHE A 104 -22.049 29.967 21.650 1.00 0.00 C ATOM 0 H PHE A 104 -23.355 29.560 16.702 1.00 0.00 H new ATOM 0 HA PHE A 104 -20.701 28.373 17.256 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -23.571 27.512 17.827 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -22.166 26.565 18.276 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -23.719 29.947 18.686 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -20.947 27.066 20.254 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -23.452 31.320 20.733 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -20.681 28.438 22.303 1.00 0.00 H new ATOM 0 HZ PHE A 104 -21.933 30.564 22.542 1.00 0.00 H new ATOM 56 N VAL A 105 -21.043 27.602 14.701 1.00 0.00 N ATOM 57 CA VAL A 105 -20.992 26.734 13.485 1.00 0.00 C ATOM 58 C VAL A 105 -20.329 25.403 13.857 1.00 0.00 C ATOM 59 O VAL A 105 -19.272 25.370 14.458 1.00 0.00 O ATOM 60 CB VAL A 105 -20.197 27.453 12.369 1.00 0.00 C ATOM 61 CG1 VAL A 105 -18.884 28.003 12.933 1.00 0.00 C ATOM 62 CG2 VAL A 105 -19.886 26.492 11.209 1.00 0.00 C ATOM 0 H VAL A 105 -20.496 28.461 14.638 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.999 26.539 13.115 1.00 0.00 H new ATOM 0 HB VAL A 105 -20.810 28.272 11.993 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.331 28.507 12.141 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -19.100 28.712 13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -18.285 27.182 13.328 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -19.327 27.022 10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -19.292 25.656 11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -20.818 26.116 10.788 1.00 0.00 H new ATOM 72 N CYS A 106 -20.948 24.307 13.496 1.00 0.00 N ATOM 73 CA CYS A 106 -20.367 22.970 13.816 1.00 0.00 C ATOM 74 C CYS A 106 -19.017 22.824 13.110 1.00 0.00 C ATOM 75 O CYS A 106 -18.808 23.362 12.039 1.00 0.00 O ATOM 76 CB CYS A 106 -21.319 21.873 13.338 1.00 0.00 C ATOM 77 SG CYS A 106 -20.804 20.280 14.027 1.00 0.00 S ATOM 0 H CYS A 106 -21.834 24.282 12.991 1.00 0.00 H new ATOM 0 HA CYS A 106 -20.226 22.880 14.893 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -22.339 22.102 13.648 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -21.319 21.827 12.249 1.00 0.00 H new ATOM 82 N GLU A 107 -18.099 22.108 13.708 1.00 0.00 N ATOM 83 CA GLU A 107 -16.753 21.929 13.084 1.00 0.00 C ATOM 84 C GLU A 107 -16.733 20.681 12.192 1.00 0.00 C ATOM 85 O GLU A 107 -15.678 20.172 11.863 1.00 0.00 O ATOM 86 CB GLU A 107 -15.703 21.779 14.185 1.00 0.00 C ATOM 87 CG GLU A 107 -15.771 22.982 15.127 1.00 0.00 C ATOM 88 CD GLU A 107 -14.902 24.113 14.573 1.00 0.00 C ATOM 89 OE1 GLU A 107 -15.366 24.809 13.684 1.00 0.00 O ATOM 90 OE2 GLU A 107 -13.788 24.263 15.045 1.00 0.00 O ATOM 0 H GLU A 107 -18.224 21.638 14.605 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.531 22.802 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.875 20.858 14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.708 21.705 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.803 23.319 15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.427 22.699 16.122 1.00 0.00 H new ATOM 97 N VAL A 108 -17.881 20.182 11.800 1.00 0.00 N ATOM 98 CA VAL A 108 -17.913 18.967 10.934 1.00 0.00 C ATOM 99 C VAL A 108 -18.651 19.281 9.632 1.00 0.00 C ATOM 100 O VAL A 108 -18.159 19.012 8.553 1.00 0.00 O ATOM 101 CB VAL A 108 -18.632 17.835 11.670 1.00 0.00 C ATOM 102 CG1 VAL A 108 -18.532 16.547 10.851 1.00 0.00 C ATOM 103 CG2 VAL A 108 -17.976 17.619 13.036 1.00 0.00 C ATOM 0 H VAL A 108 -18.795 20.565 12.043 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.893 18.661 10.704 1.00 0.00 H new ATOM 0 HB VAL A 108 -19.681 18.100 11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.045 15.741 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.997 16.698 9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.483 16.282 10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.487 16.813 13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.927 17.355 12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -18.045 18.535 13.622 1.00 0.00 H new ATOM 113 N CYS A 109 -19.827 19.847 9.727 1.00 0.00 N ATOM 114 CA CYS A 109 -20.601 20.180 8.493 1.00 0.00 C ATOM 115 C CYS A 109 -20.648 21.699 8.281 1.00 0.00 C ATOM 116 O CYS A 109 -21.388 22.183 7.445 1.00 0.00 O ATOM 117 CB CYS A 109 -22.028 19.635 8.618 1.00 0.00 C ATOM 118 SG CYS A 109 -22.805 20.275 10.124 1.00 0.00 S ATOM 0 H CYS A 109 -20.284 20.093 10.605 1.00 0.00 H new ATOM 0 HA CYS A 109 -20.107 19.722 7.636 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -22.614 19.924 7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -22.009 18.545 8.643 1.00 0.00 H new ATOM 123 N THR A 110 -19.866 22.458 9.024 1.00 0.00 N ATOM 124 CA THR A 110 -19.857 23.954 8.865 1.00 0.00 C ATOM 125 C THR A 110 -21.294 24.503 8.863 1.00 0.00 C ATOM 126 O THR A 110 -21.683 25.252 7.985 1.00 0.00 O ATOM 127 CB THR A 110 -19.145 24.345 7.560 1.00 0.00 C ATOM 128 OG1 THR A 110 -19.440 23.403 6.539 1.00 0.00 O ATOM 129 CG2 THR A 110 -17.635 24.382 7.798 1.00 0.00 C ATOM 0 H THR A 110 -19.230 22.102 9.738 1.00 0.00 H new ATOM 0 HA THR A 110 -19.318 24.387 9.707 1.00 0.00 H new ATOM 0 HB THR A 110 -19.494 25.329 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 110 -20.411 23.292 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 110 -17.128 24.659 6.874 1.00 0.00 H new ATOM 0 HG22 THR A 110 -17.406 25.115 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 110 -17.293 23.398 8.119 1.00 0.00 H new ATOM 137 N ARG A 111 -22.078 24.126 9.839 1.00 0.00 N ATOM 138 CA ARG A 111 -23.489 24.609 9.905 1.00 0.00 C ATOM 139 C ARG A 111 -23.518 25.996 10.557 1.00 0.00 C ATOM 140 O ARG A 111 -22.527 26.700 10.566 1.00 0.00 O ATOM 141 CB ARG A 111 -24.321 23.619 10.730 1.00 0.00 C ATOM 142 CG ARG A 111 -25.688 23.419 10.069 1.00 0.00 C ATOM 143 CD ARG A 111 -26.640 22.744 11.056 1.00 0.00 C ATOM 144 NE ARG A 111 -27.794 22.160 10.316 1.00 0.00 N ATOM 145 CZ ARG A 111 -28.997 22.232 10.819 1.00 0.00 C ATOM 146 NH1 ARG A 111 -29.248 21.705 11.986 1.00 0.00 N ATOM 147 NH2 ARG A 111 -29.947 22.830 10.154 1.00 0.00 N ATOM 0 H ARG A 111 -21.800 23.502 10.596 1.00 0.00 H new ATOM 0 HA ARG A 111 -23.908 24.679 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.799 22.665 10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -24.448 23.994 11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -26.095 24.380 9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -25.584 22.808 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -26.116 21.963 11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -26.994 23.469 11.789 1.00 0.00 H new ATOM 0 HE ARG A 111 -27.644 21.704 9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -28.505 21.237 12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -30.187 21.761 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -29.750 23.241 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -30.887 22.886 10.547 1.00 0.00 H new ATOM 161 N ALA A 112 -24.642 26.398 11.099 1.00 0.00 N ATOM 162 CA ALA A 112 -24.724 27.740 11.745 1.00 0.00 C ATOM 163 C ALA A 112 -25.714 27.693 12.910 1.00 0.00 C ATOM 164 O ALA A 112 -26.912 27.789 12.721 1.00 0.00 O ATOM 165 CB ALA A 112 -25.193 28.772 10.718 1.00 0.00 C ATOM 0 H ALA A 112 -25.504 25.853 11.121 1.00 0.00 H new ATOM 0 HA ALA A 112 -23.740 28.020 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -25.253 29.753 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -24.484 28.810 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -26.176 28.490 10.341 1.00 0.00 H new ATOM 171 N PHE A 113 -25.218 27.551 14.113 1.00 0.00 N ATOM 172 CA PHE A 113 -26.120 27.504 15.299 1.00 0.00 C ATOM 173 C PHE A 113 -25.969 28.799 16.099 1.00 0.00 C ATOM 174 O PHE A 113 -25.306 29.726 15.673 1.00 0.00 O ATOM 175 CB PHE A 113 -25.741 26.314 16.186 1.00 0.00 C ATOM 176 CG PHE A 113 -25.974 25.027 15.434 1.00 0.00 C ATOM 177 CD1 PHE A 113 -27.280 24.600 15.165 1.00 0.00 C ATOM 178 CD2 PHE A 113 -24.884 24.260 15.007 1.00 0.00 C ATOM 179 CE1 PHE A 113 -27.496 23.406 14.470 1.00 0.00 C ATOM 180 CE2 PHE A 113 -25.101 23.065 14.311 1.00 0.00 C ATOM 181 CZ PHE A 113 -26.407 22.638 14.042 1.00 0.00 C ATOM 0 H PHE A 113 -24.224 27.465 14.323 1.00 0.00 H new ATOM 0 HA PHE A 113 -27.152 27.394 14.966 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -24.695 26.388 16.484 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -26.335 26.325 17.100 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -28.121 25.193 15.494 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -23.877 24.590 15.214 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -28.503 23.076 14.263 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -24.261 22.472 13.981 1.00 0.00 H new ATOM 0 HZ PHE A 113 -26.574 21.716 13.504 1.00 0.00 H new ATOM 191 N ALA A 114 -26.577 28.864 17.256 1.00 0.00 N ATOM 192 CA ALA A 114 -26.471 30.094 18.095 1.00 0.00 C ATOM 193 C ALA A 114 -26.709 29.740 19.566 1.00 0.00 C ATOM 194 O ALA A 114 -27.093 30.583 20.355 1.00 0.00 O ATOM 195 CB ALA A 114 -27.521 31.107 17.645 1.00 0.00 C ATOM 0 H ALA A 114 -27.143 28.116 17.656 1.00 0.00 H new ATOM 0 HA ALA A 114 -25.474 30.521 17.982 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -27.445 32.006 18.257 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -27.353 31.365 16.599 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -28.515 30.675 17.757 1.00 0.00 H new ATOM 201 N ARG A 115 -26.484 28.504 19.941 1.00 0.00 N ATOM 202 CA ARG A 115 -26.702 28.092 21.360 1.00 0.00 C ATOM 203 C ARG A 115 -25.710 26.988 21.729 1.00 0.00 C ATOM 204 O ARG A 115 -25.225 26.268 20.876 1.00 0.00 O ATOM 205 CB ARG A 115 -28.129 27.563 21.519 1.00 0.00 C ATOM 206 CG ARG A 115 -29.125 28.664 21.153 1.00 0.00 C ATOM 207 CD ARG A 115 -30.460 28.390 21.841 1.00 0.00 C ATOM 208 NE ARG A 115 -31.526 29.210 21.200 1.00 0.00 N ATOM 209 CZ ARG A 115 -32.651 28.652 20.843 1.00 0.00 C ATOM 210 NH1 ARG A 115 -33.542 28.345 21.745 1.00 0.00 N ATOM 211 NH2 ARG A 115 -32.884 28.404 19.583 1.00 0.00 N ATOM 0 H ARG A 115 -26.158 27.762 19.322 1.00 0.00 H new ATOM 0 HA ARG A 115 -26.552 28.950 22.015 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -28.280 26.694 20.878 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -28.294 27.235 22.545 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -28.738 29.636 21.459 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -29.261 28.702 20.072 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -30.708 27.331 21.769 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -30.390 28.630 22.902 1.00 0.00 H new ATOM 0 HE ARG A 115 -31.377 30.206 21.040 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -33.360 28.541 22.729 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -34.421 27.909 21.466 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -32.187 28.646 18.878 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -33.763 27.968 19.303 1.00 0.00 H new ATOM 225 N GLN A 116 -25.408 26.849 22.995 1.00 0.00 N ATOM 226 CA GLN A 116 -24.450 25.791 23.429 1.00 0.00 C ATOM 227 C GLN A 116 -25.216 24.502 23.733 1.00 0.00 C ATOM 228 O GLN A 116 -24.720 23.411 23.521 1.00 0.00 O ATOM 229 CB GLN A 116 -23.713 26.255 24.688 1.00 0.00 C ATOM 230 CG GLN A 116 -22.626 25.238 25.049 1.00 0.00 C ATOM 231 CD GLN A 116 -21.991 25.622 26.386 1.00 0.00 C ATOM 232 OE1 GLN A 116 -21.107 26.454 26.436 1.00 0.00 O ATOM 233 NE2 GLN A 116 -22.405 25.045 27.481 1.00 0.00 N ATOM 0 H GLN A 116 -25.785 27.425 23.748 1.00 0.00 H new ATOM 0 HA GLN A 116 -23.729 25.606 22.633 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -23.267 27.235 24.520 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -24.415 26.361 25.515 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -23.055 24.238 25.112 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -21.866 25.210 24.268 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -23.147 24.346 27.440 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -21.986 25.293 28.378 1.00 0.00 H new ATOM 242 N GLU A 117 -26.422 24.620 24.230 1.00 0.00 N ATOM 243 CA GLU A 117 -27.228 23.405 24.553 1.00 0.00 C ATOM 244 C GLU A 117 -27.686 22.726 23.259 1.00 0.00 C ATOM 245 O GLU A 117 -27.907 21.529 23.225 1.00 0.00 O ATOM 246 CB GLU A 117 -28.451 23.806 25.383 1.00 0.00 C ATOM 247 CG GLU A 117 -29.232 24.902 24.654 1.00 0.00 C ATOM 248 CD GLU A 117 -30.656 24.969 25.207 1.00 0.00 C ATOM 249 OE1 GLU A 117 -31.452 24.121 24.842 1.00 0.00 O ATOM 250 OE2 GLU A 117 -30.925 25.866 25.989 1.00 0.00 O ATOM 0 H GLU A 117 -26.883 25.508 24.426 1.00 0.00 H new ATOM 0 HA GLU A 117 -26.614 22.709 25.125 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -29.091 22.939 25.548 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -28.136 24.162 26.364 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -28.735 25.864 24.782 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -29.256 24.696 23.584 1.00 0.00 H new ATOM 257 N HIS A 118 -27.832 23.479 22.198 1.00 0.00 N ATOM 258 CA HIS A 118 -28.276 22.879 20.905 1.00 0.00 C ATOM 259 C HIS A 118 -27.090 22.189 20.228 1.00 0.00 C ATOM 260 O HIS A 118 -27.227 21.122 19.658 1.00 0.00 O ATOM 261 CB HIS A 118 -28.819 23.982 19.991 1.00 0.00 C ATOM 262 CG HIS A 118 -30.225 24.336 20.399 1.00 0.00 C ATOM 263 ND1 HIS A 118 -31.045 25.126 19.609 1.00 0.00 N ATOM 264 CD2 HIS A 118 -30.971 24.015 21.509 1.00 0.00 C ATOM 265 CE1 HIS A 118 -32.223 25.255 20.248 1.00 0.00 C ATOM 266 NE2 HIS A 118 -32.232 24.597 21.410 1.00 0.00 N ATOM 0 H HIS A 118 -27.662 24.484 22.172 1.00 0.00 H new ATOM 0 HA HIS A 118 -29.060 22.146 21.094 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -28.180 24.863 20.050 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -28.805 23.647 18.954 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -30.630 23.404 22.332 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -33.059 25.822 19.867 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -32.998 24.534 22.081 1.00 0.00 H new ATOM 274 N LEU A 119 -25.929 22.791 20.287 1.00 0.00 N ATOM 275 CA LEU A 119 -24.728 22.178 19.651 1.00 0.00 C ATOM 276 C LEU A 119 -24.282 20.952 20.454 1.00 0.00 C ATOM 277 O LEU A 119 -23.659 20.053 19.925 1.00 0.00 O ATOM 278 CB LEU A 119 -23.584 23.207 19.620 1.00 0.00 C ATOM 279 CG LEU A 119 -22.927 23.249 18.229 1.00 0.00 C ATOM 280 CD1 LEU A 119 -21.676 24.127 18.294 1.00 0.00 C ATOM 281 CD2 LEU A 119 -22.521 21.839 17.781 1.00 0.00 C ATOM 0 H LEU A 119 -25.763 23.684 20.751 1.00 0.00 H new ATOM 0 HA LEU A 119 -24.978 21.873 18.635 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.969 24.194 19.876 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.838 22.951 20.372 1.00 0.00 H new ATOM 0 HG LEU A 119 -23.643 23.656 17.515 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -21.205 24.162 17.312 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.955 25.136 18.599 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.976 23.710 19.018 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -22.058 21.890 16.795 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.811 21.421 18.494 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -23.405 21.203 17.735 1.00 0.00 H new ATOM 293 N LYS A 120 -24.585 20.913 21.728 1.00 0.00 N ATOM 294 CA LYS A 120 -24.170 19.749 22.568 1.00 0.00 C ATOM 295 C LYS A 120 -24.792 18.462 22.015 1.00 0.00 C ATOM 296 O LYS A 120 -24.188 17.407 22.045 1.00 0.00 O ATOM 297 CB LYS A 120 -24.647 19.962 24.005 1.00 0.00 C ATOM 298 CG LYS A 120 -23.581 20.727 24.792 1.00 0.00 C ATOM 299 CD LYS A 120 -23.592 20.262 26.249 1.00 0.00 C ATOM 300 CE LYS A 120 -22.186 20.398 26.837 1.00 0.00 C ATOM 301 NZ LYS A 120 -21.289 19.387 26.210 1.00 0.00 N ATOM 0 H LYS A 120 -25.103 21.639 22.223 1.00 0.00 H new ATOM 0 HA LYS A 120 -23.084 19.663 22.550 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -25.585 20.518 24.009 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -24.844 19.001 24.480 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -22.598 20.558 24.353 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -23.774 21.799 24.739 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -24.299 20.857 26.827 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -23.924 19.226 26.309 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -21.801 21.402 26.660 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -22.216 20.254 27.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -20.559 19.100 26.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -21.846 18.555 25.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -20.835 19.799 25.370 1.00 0.00 H new ATOM 315 N ARG A 121 -25.997 18.549 21.517 1.00 0.00 N ATOM 316 CA ARG A 121 -26.677 17.342 20.963 1.00 0.00 C ATOM 317 C ARG A 121 -26.338 17.196 19.477 1.00 0.00 C ATOM 318 O ARG A 121 -26.262 16.101 18.954 1.00 0.00 O ATOM 319 CB ARG A 121 -28.190 17.498 21.129 1.00 0.00 C ATOM 320 CG ARG A 121 -28.893 16.208 20.699 1.00 0.00 C ATOM 321 CD ARG A 121 -29.389 16.350 19.258 1.00 0.00 C ATOM 322 NE ARG A 121 -30.748 16.962 19.258 1.00 0.00 N ATOM 323 CZ ARG A 121 -31.750 16.327 19.804 1.00 0.00 C ATOM 324 NH1 ARG A 121 -32.026 16.507 21.067 1.00 0.00 N ATOM 325 NH2 ARG A 121 -32.474 15.512 19.087 1.00 0.00 N ATOM 0 H ARG A 121 -26.542 19.410 21.470 1.00 0.00 H new ATOM 0 HA ARG A 121 -26.338 16.454 21.497 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -28.430 17.725 22.168 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -28.547 18.335 20.529 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -28.207 15.365 20.777 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -29.731 15.999 21.364 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -28.700 16.969 18.684 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -29.418 15.374 18.774 1.00 0.00 H new ATOM 0 HE ARG A 121 -30.895 17.877 18.832 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -31.459 17.144 21.627 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -32.809 16.011 21.494 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -32.257 15.371 18.100 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -33.257 15.016 19.513 1.00 0.00 H new ATOM 339 N HIS A 122 -26.136 18.295 18.800 1.00 0.00 N ATOM 340 CA HIS A 122 -25.803 18.241 17.345 1.00 0.00 C ATOM 341 C HIS A 122 -24.354 17.746 17.162 1.00 0.00 C ATOM 342 O HIS A 122 -23.954 17.397 16.067 1.00 0.00 O ATOM 343 CB HIS A 122 -25.964 19.656 16.755 1.00 0.00 C ATOM 344 CG HIS A 122 -25.459 19.711 15.333 1.00 0.00 C ATOM 345 ND1 HIS A 122 -26.237 19.319 14.256 1.00 0.00 N ATOM 346 CD2 HIS A 122 -24.260 20.117 14.802 1.00 0.00 C ATOM 347 CE1 HIS A 122 -25.505 19.497 13.141 1.00 0.00 C ATOM 348 NE2 HIS A 122 -24.291 19.980 13.417 1.00 0.00 N ATOM 0 H HIS A 122 -26.188 19.234 19.194 1.00 0.00 H new ATOM 0 HA HIS A 122 -26.471 17.551 16.829 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -27.014 19.948 16.783 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -25.417 20.373 17.367 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -27.191 18.961 14.300 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -23.420 20.486 15.372 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -25.857 19.276 12.144 1.00 0.00 H new ATOM 356 N TYR A 123 -23.567 17.725 18.211 1.00 0.00 N ATOM 357 CA TYR A 123 -22.153 17.269 18.079 1.00 0.00 C ATOM 358 C TYR A 123 -22.072 15.757 18.313 1.00 0.00 C ATOM 359 O TYR A 123 -21.308 15.064 17.665 1.00 0.00 O ATOM 360 CB TYR A 123 -21.286 18.008 19.115 1.00 0.00 C ATOM 361 CG TYR A 123 -20.236 18.855 18.422 1.00 0.00 C ATOM 362 CD1 TYR A 123 -19.468 18.318 17.377 1.00 0.00 C ATOM 363 CD2 TYR A 123 -20.024 20.176 18.833 1.00 0.00 C ATOM 364 CE1 TYR A 123 -18.497 19.103 16.746 1.00 0.00 C ATOM 365 CE2 TYR A 123 -19.051 20.960 18.203 1.00 0.00 C ATOM 366 CZ TYR A 123 -18.287 20.423 17.159 1.00 0.00 C ATOM 367 OH TYR A 123 -17.327 21.197 16.540 1.00 0.00 O ATOM 0 H TYR A 123 -23.846 18.005 19.152 1.00 0.00 H new ATOM 0 HA TYR A 123 -21.789 17.490 17.076 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -21.916 18.640 19.741 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -20.803 17.287 19.774 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -19.627 17.298 17.060 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -20.612 20.591 19.638 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -17.909 18.690 15.940 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -18.889 21.979 18.522 1.00 0.00 H new ATOM 0 HH TYR A 123 -16.436 20.866 16.778 1.00 0.00 H new ATOM 377 N ARG A 124 -22.848 15.242 19.232 1.00 0.00 N ATOM 378 CA ARG A 124 -22.813 13.775 19.512 1.00 0.00 C ATOM 379 C ARG A 124 -23.272 13.002 18.274 1.00 0.00 C ATOM 380 O ARG A 124 -22.812 11.907 18.013 1.00 0.00 O ATOM 381 CB ARG A 124 -23.744 13.456 20.683 1.00 0.00 C ATOM 382 CG ARG A 124 -23.260 12.185 21.385 1.00 0.00 C ATOM 383 CD ARG A 124 -24.445 11.486 22.056 1.00 0.00 C ATOM 384 NE ARG A 124 -24.269 10.009 21.963 1.00 0.00 N ATOM 385 CZ ARG A 124 -23.265 9.432 22.566 1.00 0.00 C ATOM 386 NH1 ARG A 124 -23.302 9.238 23.856 1.00 0.00 N ATOM 387 NH2 ARG A 124 -22.224 9.049 21.878 1.00 0.00 N ATOM 0 H ARG A 124 -23.505 15.775 19.801 1.00 0.00 H new ATOM 0 HA ARG A 124 -21.794 13.482 19.765 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -23.761 14.289 21.386 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -24.764 13.321 20.324 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -22.791 11.516 20.664 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -22.503 12.434 22.129 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -24.516 11.789 23.101 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -25.376 11.783 21.574 1.00 0.00 H new ATOM 0 HE ARG A 124 -24.933 9.449 21.428 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -24.116 9.537 24.394 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -22.517 8.787 24.327 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -22.195 9.201 20.870 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -21.439 8.598 22.349 1.00 0.00 H new ATOM 401 N SER A 125 -24.178 13.565 17.515 1.00 0.00 N ATOM 402 CA SER A 125 -24.677 12.866 16.292 1.00 0.00 C ATOM 403 C SER A 125 -23.585 12.860 15.219 1.00 0.00 C ATOM 404 O SER A 125 -23.429 11.897 14.491 1.00 0.00 O ATOM 405 CB SER A 125 -25.912 13.593 15.758 1.00 0.00 C ATOM 406 OG SER A 125 -25.563 14.930 15.423 1.00 0.00 O ATOM 0 H SER A 125 -24.594 14.480 17.690 1.00 0.00 H new ATOM 0 HA SER A 125 -24.939 11.839 16.545 1.00 0.00 H new ATOM 0 HB2 SER A 125 -26.301 13.076 14.881 1.00 0.00 H new ATOM 0 HB3 SER A 125 -26.703 13.589 16.508 1.00 0.00 H new ATOM 0 HG SER A 125 -26.352 15.398 15.079 1.00 0.00 H new ATOM 412 N HIS A 126 -22.830 13.925 15.115 1.00 0.00 N ATOM 413 CA HIS A 126 -21.746 13.986 14.087 1.00 0.00 C ATOM 414 C HIS A 126 -20.736 12.860 14.326 1.00 0.00 C ATOM 415 O HIS A 126 -20.422 12.100 13.429 1.00 0.00 O ATOM 416 CB HIS A 126 -21.026 15.333 14.177 1.00 0.00 C ATOM 417 CG HIS A 126 -21.693 16.324 13.262 1.00 0.00 C ATOM 418 ND1 HIS A 126 -21.743 16.142 11.889 1.00 0.00 N ATOM 419 CD2 HIS A 126 -22.332 17.514 13.507 1.00 0.00 C ATOM 420 CE1 HIS A 126 -22.392 17.197 11.364 1.00 0.00 C ATOM 421 NE2 HIS A 126 -22.772 18.064 12.306 1.00 0.00 N ATOM 0 H HIS A 126 -22.918 14.757 15.699 1.00 0.00 H new ATOM 0 HA HIS A 126 -22.190 13.872 13.098 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -21.046 15.700 15.203 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -19.978 15.216 13.901 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -21.358 15.352 11.371 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -22.472 17.956 14.482 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -22.583 17.327 10.309 1.00 0.00 H new ATOM 429 N THR A 127 -20.225 12.755 15.525 1.00 0.00 N ATOM 430 CA THR A 127 -19.230 11.685 15.825 1.00 0.00 C ATOM 431 C THR A 127 -19.916 10.533 16.567 1.00 0.00 C ATOM 432 O THR A 127 -19.812 10.407 17.773 1.00 0.00 O ATOM 433 CB THR A 127 -18.101 12.266 16.688 1.00 0.00 C ATOM 434 OG1 THR A 127 -17.181 11.235 17.022 1.00 0.00 O ATOM 435 CG2 THR A 127 -18.679 12.879 17.970 1.00 0.00 C ATOM 0 H THR A 127 -20.454 13.365 16.310 1.00 0.00 H new ATOM 0 HA THR A 127 -18.812 11.306 14.893 1.00 0.00 H new ATOM 0 HB THR A 127 -17.587 13.045 16.125 1.00 0.00 H new ATOM 0 HG1 THR A 127 -16.459 11.606 17.572 1.00 0.00 H new ATOM 0 HG21 THR A 127 -17.870 13.288 18.575 1.00 0.00 H new ATOM 0 HG22 THR A 127 -19.376 13.676 17.710 1.00 0.00 H new ATOM 0 HG23 THR A 127 -19.202 12.109 18.537 1.00 0.00 H new ATOM 443 N ASN A 128 -20.611 9.684 15.850 1.00 0.00 N ATOM 444 CA ASN A 128 -21.299 8.530 16.502 1.00 0.00 C ATOM 445 C ASN A 128 -20.243 7.617 17.126 1.00 0.00 C ATOM 446 O ASN A 128 -20.400 7.125 18.228 1.00 0.00 O ATOM 447 CB ASN A 128 -22.096 7.750 15.454 1.00 0.00 C ATOM 448 CG ASN A 128 -23.348 7.153 16.100 1.00 0.00 C ATOM 449 OD1 ASN A 128 -23.829 7.651 17.098 1.00 0.00 O ATOM 450 ND2 ASN A 128 -23.899 6.096 15.569 1.00 0.00 N ATOM 0 H ASN A 128 -20.731 9.742 14.839 1.00 0.00 H new ATOM 0 HA ASN A 128 -21.980 8.891 17.273 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -22.377 8.409 14.632 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -21.480 6.957 15.030 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -24.733 5.689 15.992 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -23.496 5.677 14.731 1.00 0.00 H new ATOM 457 N GLU A 129 -19.161 7.402 16.425 1.00 0.00 N ATOM 458 CA GLU A 129 -18.068 6.540 16.955 1.00 0.00 C ATOM 459 C GLU A 129 -16.726 7.209 16.641 1.00 0.00 C ATOM 460 O GLU A 129 -16.129 7.835 17.490 1.00 0.00 O ATOM 461 CB GLU A 129 -18.135 5.160 16.291 1.00 0.00 C ATOM 462 CG GLU A 129 -19.317 4.373 16.866 1.00 0.00 C ATOM 463 CD GLU A 129 -18.826 3.470 18.000 1.00 0.00 C ATOM 464 OE1 GLU A 129 -18.437 2.350 17.714 1.00 0.00 O ATOM 465 OE2 GLU A 129 -18.850 3.913 19.136 1.00 0.00 O ATOM 0 H GLU A 129 -18.988 7.792 15.498 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.175 6.415 18.033 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -18.247 5.269 15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -17.205 4.617 16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -20.078 5.059 17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.783 3.773 16.084 1.00 0.00 H new ATOM 472 N LYS A 130 -16.265 7.093 15.420 1.00 0.00 N ATOM 473 CA LYS A 130 -14.973 7.728 15.016 1.00 0.00 C ATOM 474 C LYS A 130 -14.820 7.636 13.487 1.00 0.00 C ATOM 475 O LYS A 130 -15.467 6.818 12.864 1.00 0.00 O ATOM 476 CB LYS A 130 -13.791 7.015 15.685 1.00 0.00 C ATOM 477 CG LYS A 130 -13.437 7.704 17.014 1.00 0.00 C ATOM 478 CD LYS A 130 -13.582 6.712 18.172 1.00 0.00 C ATOM 479 CE LYS A 130 -14.017 7.457 19.436 1.00 0.00 C ATOM 480 NZ LYS A 130 -14.690 6.506 20.364 1.00 0.00 N ATOM 0 H LYS A 130 -16.736 6.578 14.676 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.979 8.771 15.331 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.042 5.970 15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.927 7.026 15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.416 8.084 16.976 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -14.091 8.561 17.174 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -14.315 5.947 17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.635 6.201 18.347 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.151 7.906 19.923 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -14.695 8.270 19.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -14.986 7.011 21.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -15.525 6.098 19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -14.029 5.745 20.620 1.00 0.00 H new ATOM 494 N PRO A 131 -13.974 8.476 12.915 1.00 0.00 N ATOM 495 CA PRO A 131 -13.749 8.482 11.456 1.00 0.00 C ATOM 496 C PRO A 131 -12.815 7.338 11.039 1.00 0.00 C ATOM 497 O PRO A 131 -12.803 6.930 9.893 1.00 0.00 O ATOM 498 CB PRO A 131 -13.090 9.841 11.198 1.00 0.00 C ATOM 499 CG PRO A 131 -12.460 10.285 12.539 1.00 0.00 C ATOM 500 CD PRO A 131 -13.173 9.490 13.648 1.00 0.00 C ATOM 0 HA PRO A 131 -14.668 8.340 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.331 9.763 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -13.825 10.569 10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.388 10.086 12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -12.586 11.357 12.689 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.458 9.020 14.323 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -13.808 10.136 14.255 1.00 0.00 H new ATOM 508 N TYR A 132 -12.028 6.826 11.954 1.00 0.00 N ATOM 509 CA TYR A 132 -11.092 5.716 11.608 1.00 0.00 C ATOM 510 C TYR A 132 -11.351 4.509 12.532 1.00 0.00 C ATOM 511 O TYR A 132 -10.582 4.260 13.440 1.00 0.00 O ATOM 512 CB TYR A 132 -9.648 6.198 11.777 1.00 0.00 C ATOM 513 CG TYR A 132 -9.426 7.428 10.930 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.362 7.315 9.535 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.282 8.682 11.537 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.156 8.456 8.749 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.075 9.822 10.751 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.012 9.709 9.358 1.00 0.00 C ATOM 519 OH TYR A 132 -8.808 10.833 8.584 1.00 0.00 O ATOM 0 H TYR A 132 -11.995 7.131 12.927 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.254 5.413 10.574 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.449 6.424 12.825 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.954 5.411 11.483 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.471 6.348 9.066 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.331 8.770 12.612 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.108 8.370 7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.964 10.788 11.220 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.730 11.619 9.163 1.00 0.00 H new ATOM 529 N PRO A 133 -12.426 3.783 12.278 1.00 0.00 N ATOM 530 CA PRO A 133 -12.778 2.601 13.087 1.00 0.00 C ATOM 531 C PRO A 133 -11.893 1.408 12.708 1.00 0.00 C ATOM 532 O PRO A 133 -11.752 1.072 11.547 1.00 0.00 O ATOM 533 CB PRO A 133 -14.241 2.332 12.721 1.00 0.00 C ATOM 534 CG PRO A 133 -14.476 2.990 11.342 1.00 0.00 C ATOM 535 CD PRO A 133 -13.387 4.064 11.179 1.00 0.00 C ATOM 0 HA PRO A 133 -12.634 2.758 14.156 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.440 1.261 12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.912 2.752 13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.414 2.250 10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.470 3.434 11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.906 3.998 10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.803 5.068 11.262 1.00 0.00 H new ATOM 543 N CYS A 134 -11.297 0.769 13.683 1.00 0.00 N ATOM 544 CA CYS A 134 -10.418 -0.404 13.396 1.00 0.00 C ATOM 545 C CYS A 134 -11.258 -1.548 12.824 1.00 0.00 C ATOM 546 O CYS A 134 -12.290 -1.901 13.364 1.00 0.00 O ATOM 547 CB CYS A 134 -9.749 -0.863 14.693 1.00 0.00 C ATOM 548 SG CYS A 134 -8.435 -2.050 14.315 1.00 0.00 S ATOM 0 H CYS A 134 -11.382 1.011 14.670 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.656 -0.118 12.671 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.336 -0.005 15.224 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.487 -1.320 15.352 1.00 0.00 H new ATOM 553 N GLY A 135 -10.820 -2.131 11.736 1.00 0.00 N ATOM 554 CA GLY A 135 -11.585 -3.256 11.122 1.00 0.00 C ATOM 555 C GLY A 135 -10.865 -4.574 11.405 1.00 0.00 C ATOM 556 O GLY A 135 -10.925 -5.503 10.620 1.00 0.00 O ATOM 0 H GLY A 135 -9.963 -1.874 11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.596 -3.287 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.678 -3.103 10.047 1.00 0.00 H new ATOM 560 N LEU A 136 -10.180 -4.659 12.517 1.00 0.00 N ATOM 561 CA LEU A 136 -9.444 -5.915 12.857 1.00 0.00 C ATOM 562 C LEU A 136 -9.882 -6.408 14.239 1.00 0.00 C ATOM 563 O LEU A 136 -10.072 -7.590 14.455 1.00 0.00 O ATOM 564 CB LEU A 136 -7.932 -5.646 12.872 1.00 0.00 C ATOM 565 CG LEU A 136 -7.524 -4.824 11.643 1.00 0.00 C ATOM 566 CD1 LEU A 136 -6.028 -4.510 11.713 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.818 -5.622 10.368 1.00 0.00 C ATOM 0 H LEU A 136 -10.098 -3.911 13.206 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.670 -6.674 12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.660 -5.111 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.388 -6.591 12.883 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.092 -3.894 11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.738 -3.926 10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.818 -3.939 12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.461 -5.441 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.527 -5.035 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.253 -6.554 10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.884 -5.845 10.316 1.00 0.00 H new ATOM 579 N CYS A 137 -10.038 -5.508 15.177 1.00 0.00 N ATOM 580 CA CYS A 137 -10.459 -5.909 16.555 1.00 0.00 C ATOM 581 C CYS A 137 -11.840 -5.328 16.895 1.00 0.00 C ATOM 582 O CYS A 137 -12.379 -5.584 17.954 1.00 0.00 O ATOM 583 CB CYS A 137 -9.432 -5.387 17.556 1.00 0.00 C ATOM 584 SG CYS A 137 -9.266 -3.589 17.396 1.00 0.00 S ATOM 0 H CYS A 137 -9.891 -4.507 15.047 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.520 -6.996 16.604 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.738 -5.643 18.570 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.468 -5.866 17.384 1.00 0.00 H new ATOM 589 N ASN A 138 -12.407 -4.538 16.012 1.00 0.00 N ATOM 590 CA ASN A 138 -13.750 -3.917 16.268 1.00 0.00 C ATOM 591 C ASN A 138 -13.602 -2.788 17.294 1.00 0.00 C ATOM 592 O ASN A 138 -14.341 -2.704 18.257 1.00 0.00 O ATOM 593 CB ASN A 138 -14.749 -4.965 16.785 1.00 0.00 C ATOM 594 CG ASN A 138 -16.168 -4.568 16.372 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.559 -4.761 15.238 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.962 -4.021 17.251 1.00 0.00 N ATOM 0 H ASN A 138 -11.991 -4.294 15.113 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.133 -3.514 15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.503 -5.947 16.381 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.683 -5.041 17.870 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.911 -3.756 16.986 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.634 -3.859 18.203 1.00 0.00 H new ATOM 603 N ARG A 139 -12.653 -1.913 17.080 1.00 0.00 N ATOM 604 CA ARG A 139 -12.441 -0.773 18.018 1.00 0.00 C ATOM 605 C ARG A 139 -12.610 0.538 17.248 1.00 0.00 C ATOM 606 O ARG A 139 -13.012 0.537 16.100 1.00 0.00 O ATOM 607 CB ARG A 139 -11.030 -0.851 18.606 1.00 0.00 C ATOM 608 CG ARG A 139 -11.018 -1.846 19.769 1.00 0.00 C ATOM 609 CD ARG A 139 -9.862 -1.513 20.714 1.00 0.00 C ATOM 610 NE ARG A 139 -9.629 -2.660 21.634 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.447 -2.851 22.154 1.00 0.00 C ATOM 612 NH1 ARG A 139 -7.524 -3.466 21.465 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.188 -2.427 23.359 1.00 0.00 N ATOM 0 H ARG A 139 -12.011 -1.941 16.288 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.167 -0.818 18.830 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.321 -1.163 17.839 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.713 0.133 18.952 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.965 -1.804 20.307 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.911 -2.863 19.391 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.959 -1.303 20.141 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.093 -0.615 21.286 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.393 -3.297 21.858 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.727 -3.797 20.522 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.600 -3.616 21.870 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.909 -1.946 23.896 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -7.264 -2.577 23.765 1.00 0.00 H new ATOM 627 N ALA A 140 -12.316 1.656 17.866 1.00 0.00 N ATOM 628 CA ALA A 140 -12.471 2.962 17.158 1.00 0.00 C ATOM 629 C ALA A 140 -11.462 3.982 17.695 1.00 0.00 C ATOM 630 O ALA A 140 -11.301 4.140 18.891 1.00 0.00 O ATOM 631 CB ALA A 140 -13.891 3.486 17.375 1.00 0.00 C ATOM 0 H ALA A 140 -11.977 1.719 18.826 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.288 2.814 16.094 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.010 4.439 16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.608 2.768 16.978 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.069 3.625 18.441 1.00 0.00 H new ATOM 637 N PHE A 141 -10.794 4.682 16.812 1.00 0.00 N ATOM 638 CA PHE A 141 -9.801 5.708 17.250 1.00 0.00 C ATOM 639 C PHE A 141 -10.176 7.057 16.633 1.00 0.00 C ATOM 640 O PHE A 141 -10.758 7.115 15.566 1.00 0.00 O ATOM 641 CB PHE A 141 -8.400 5.307 16.783 1.00 0.00 C ATOM 642 CG PHE A 141 -8.059 3.938 17.317 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.663 3.786 18.652 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.134 2.822 16.478 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.342 2.515 19.145 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.814 1.553 16.971 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.419 1.399 18.304 1.00 0.00 C ATOM 0 H PHE A 141 -10.895 4.585 15.802 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.807 5.781 18.338 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.356 5.305 15.694 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.668 6.036 17.130 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.605 4.648 19.300 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.439 2.940 15.449 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -7.035 2.396 20.174 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.872 0.692 16.322 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.173 0.418 18.684 1.00 0.00 H new ATOM 657 N THR A 142 -9.857 8.140 17.297 1.00 0.00 N ATOM 658 CA THR A 142 -10.207 9.487 16.752 1.00 0.00 C ATOM 659 C THR A 142 -9.052 10.025 15.904 1.00 0.00 C ATOM 660 O THR A 142 -9.263 10.741 14.943 1.00 0.00 O ATOM 661 CB THR A 142 -10.482 10.450 17.910 1.00 0.00 C ATOM 662 OG1 THR A 142 -11.228 9.776 18.915 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.281 11.650 17.399 1.00 0.00 C ATOM 0 H THR A 142 -9.369 8.149 18.193 1.00 0.00 H new ATOM 0 HA THR A 142 -11.097 9.400 16.129 1.00 0.00 H new ATOM 0 HB THR A 142 -9.537 10.797 18.328 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.404 10.390 19.659 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.476 12.335 18.224 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.710 12.165 16.627 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.227 11.306 16.981 1.00 0.00 H new ATOM 671 N ARG A 143 -7.835 9.686 16.251 1.00 0.00 N ATOM 672 CA ARG A 143 -6.666 10.181 15.465 1.00 0.00 C ATOM 673 C ARG A 143 -6.217 9.098 14.482 1.00 0.00 C ATOM 674 O ARG A 143 -6.078 7.944 14.838 1.00 0.00 O ATOM 675 CB ARG A 143 -5.518 10.519 16.419 1.00 0.00 C ATOM 676 CG ARG A 143 -5.864 11.788 17.201 1.00 0.00 C ATOM 677 CD ARG A 143 -4.589 12.389 17.793 1.00 0.00 C ATOM 678 NE ARG A 143 -4.698 13.874 17.803 1.00 0.00 N ATOM 679 CZ ARG A 143 -4.251 14.567 16.791 1.00 0.00 C ATOM 680 NH1 ARG A 143 -2.968 14.748 16.639 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.088 15.078 15.931 1.00 0.00 N ATOM 0 H ARG A 143 -7.602 9.088 17.044 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.951 11.075 14.911 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.346 9.691 17.106 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.595 10.665 15.858 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.348 12.511 16.545 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.572 11.555 17.997 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.436 12.018 18.807 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.723 12.081 17.207 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.122 14.349 18.600 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.313 14.348 17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.620 15.290 15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -6.091 14.936 16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.739 15.620 15.140 1.00 0.00 H new ATOM 695 N ARG A 144 -5.990 9.466 13.245 1.00 0.00 N ATOM 696 CA ARG A 144 -5.549 8.464 12.230 1.00 0.00 C ATOM 697 C ARG A 144 -4.188 7.895 12.635 1.00 0.00 C ATOM 698 O ARG A 144 -3.911 6.727 12.437 1.00 0.00 O ATOM 699 CB ARG A 144 -5.433 9.138 10.861 1.00 0.00 C ATOM 700 CG ARG A 144 -5.181 8.075 9.790 1.00 0.00 C ATOM 701 CD ARG A 144 -5.384 8.689 8.405 1.00 0.00 C ATOM 702 NE ARG A 144 -4.122 9.344 7.963 1.00 0.00 N ATOM 703 CZ ARG A 144 -3.924 9.595 6.698 1.00 0.00 C ATOM 704 NH1 ARG A 144 -3.568 8.635 5.890 1.00 0.00 N ATOM 705 NH2 ARG A 144 -4.083 10.808 6.241 1.00 0.00 N ATOM 0 H ARG A 144 -6.092 10.419 12.896 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.280 7.657 12.175 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.347 9.687 10.635 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.619 9.863 10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.167 7.684 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.860 7.234 9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.675 7.917 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.194 9.418 8.434 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.412 9.597 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -3.444 7.688 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.413 8.832 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -4.362 11.559 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -3.928 11.005 5.252 1.00 0.00 H new ATOM 719 N ASP A 145 -3.343 8.713 13.208 1.00 0.00 N ATOM 720 CA ASP A 145 -1.997 8.230 13.638 1.00 0.00 C ATOM 721 C ASP A 145 -2.163 7.159 14.720 1.00 0.00 C ATOM 722 O ASP A 145 -1.345 6.269 14.854 1.00 0.00 O ATOM 723 CB ASP A 145 -1.193 9.404 14.200 1.00 0.00 C ATOM 724 CG ASP A 145 -1.997 10.093 15.304 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.184 9.482 16.344 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.415 11.220 15.092 1.00 0.00 O ATOM 0 H ASP A 145 -3.528 9.698 13.397 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.471 7.804 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.241 9.050 14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.963 10.114 13.406 1.00 0.00 H new ATOM 731 N LEU A 146 -3.218 7.243 15.492 1.00 0.00 N ATOM 732 CA LEU A 146 -3.451 6.239 16.571 1.00 0.00 C ATOM 733 C LEU A 146 -3.774 4.875 15.955 1.00 0.00 C ATOM 734 O LEU A 146 -3.205 3.866 16.324 1.00 0.00 O ATOM 735 CB LEU A 146 -4.631 6.693 17.434 1.00 0.00 C ATOM 736 CG LEU A 146 -4.119 7.544 18.598 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.307 8.113 19.377 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.269 6.676 19.530 1.00 0.00 C ATOM 0 H LEU A 146 -3.931 7.969 15.419 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.553 6.154 17.182 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.335 7.268 16.832 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.171 5.826 17.814 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.513 8.363 18.209 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.942 8.719 20.206 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.914 8.731 18.715 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.913 7.294 19.765 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.904 7.282 20.359 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.875 5.857 19.918 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.422 6.270 18.977 1.00 0.00 H new ATOM 750 N LEU A 147 -4.698 4.840 15.030 1.00 0.00 N ATOM 751 CA LEU A 147 -5.090 3.546 14.388 1.00 0.00 C ATOM 752 C LEU A 147 -3.867 2.851 13.774 1.00 0.00 C ATOM 753 O LEU A 147 -3.710 1.651 13.895 1.00 0.00 O ATOM 754 CB LEU A 147 -6.117 3.820 13.287 1.00 0.00 C ATOM 755 CG LEU A 147 -6.884 2.534 12.973 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.213 2.883 12.303 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.053 1.662 12.027 1.00 0.00 C ATOM 0 H LEU A 147 -5.203 5.658 14.688 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.518 2.894 15.150 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.809 4.600 13.606 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.616 4.185 12.391 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.074 1.991 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.759 1.967 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.806 3.505 12.973 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.022 3.427 11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.599 0.746 11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.864 2.207 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.104 1.412 12.502 1.00 0.00 H new ATOM 769 N ILE A 148 -3.007 3.587 13.113 1.00 0.00 N ATOM 770 CA ILE A 148 -1.803 2.955 12.489 1.00 0.00 C ATOM 771 C ILE A 148 -0.923 2.342 13.583 1.00 0.00 C ATOM 772 O ILE A 148 -0.453 1.227 13.458 1.00 0.00 O ATOM 773 CB ILE A 148 -1.001 4.008 11.714 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.906 4.683 10.677 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.172 3.335 10.995 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.154 5.843 10.021 1.00 0.00 C ATOM 0 H ILE A 148 -3.086 4.595 12.979 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.125 2.174 11.800 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.623 4.755 12.412 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.212 3.960 9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.815 5.049 11.155 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.740 4.085 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.820 2.854 11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.208 2.586 10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.797 6.323 9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.870 6.569 10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.258 5.464 9.529 1.00 0.00 H new ATOM 788 N ARG A 149 -0.702 3.061 14.652 1.00 0.00 N ATOM 789 CA ARG A 149 0.145 2.528 15.761 1.00 0.00 C ATOM 790 C ARG A 149 -0.597 1.403 16.500 1.00 0.00 C ATOM 791 O ARG A 149 -0.003 0.659 17.254 1.00 0.00 O ATOM 792 CB ARG A 149 0.465 3.665 16.738 1.00 0.00 C ATOM 793 CG ARG A 149 1.400 3.157 17.845 1.00 0.00 C ATOM 794 CD ARG A 149 0.597 2.907 19.123 1.00 0.00 C ATOM 795 NE ARG A 149 -0.125 4.153 19.506 1.00 0.00 N ATOM 796 CZ ARG A 149 0.483 5.067 20.210 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.643 4.900 21.495 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.931 6.148 19.631 1.00 0.00 N ATOM 0 H ARG A 149 -1.073 3.999 14.806 1.00 0.00 H new ATOM 0 HA ARG A 149 1.070 2.125 15.348 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.934 4.492 16.205 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.456 4.049 17.176 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.891 2.237 17.526 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.186 3.888 18.035 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.114 2.095 18.966 1.00 0.00 H new ATOM 0 HD3 ARG A 149 1.262 2.597 19.929 1.00 0.00 H new ATOM 0 HE ARG A 149 -1.094 4.291 19.218 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.293 4.055 21.947 1.00 0.00 H new ATOM 0 HH12 ARG A 149 1.118 5.614 22.047 1.00 0.00 H new ATOM 0 HH21 ARG A 149 0.806 6.278 18.627 1.00 0.00 H new ATOM 0 HH22 ARG A 149 1.406 6.862 20.183 1.00 0.00 H new ATOM 812 N HIS A 150 -1.888 1.277 16.296 1.00 0.00 N ATOM 813 CA HIS A 150 -2.664 0.206 16.989 1.00 0.00 C ATOM 814 C HIS A 150 -2.495 -1.123 16.230 1.00 0.00 C ATOM 815 O HIS A 150 -2.362 -2.173 16.832 1.00 0.00 O ATOM 816 CB HIS A 150 -4.147 0.636 17.031 1.00 0.00 C ATOM 817 CG HIS A 150 -5.046 -0.521 17.402 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.856 -1.277 18.548 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.135 -1.064 16.770 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.810 -2.227 18.568 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.616 -2.142 17.506 1.00 0.00 N ATOM 0 H HIS A 150 -2.437 1.874 15.677 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.302 0.061 18.007 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.273 1.443 17.753 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.441 1.030 16.058 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.127 -1.139 19.248 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.556 -0.708 15.841 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.911 -2.967 19.348 1.00 0.00 H new ATOM 829 N ALA A 151 -2.521 -1.084 14.924 1.00 0.00 N ATOM 830 CA ALA A 151 -2.387 -2.341 14.129 1.00 0.00 C ATOM 831 C ALA A 151 -0.917 -2.737 13.990 1.00 0.00 C ATOM 832 O ALA A 151 -0.516 -3.813 14.383 1.00 0.00 O ATOM 833 CB ALA A 151 -2.976 -2.123 12.734 1.00 0.00 C ATOM 0 H ALA A 151 -2.630 -0.233 14.372 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.922 -3.138 14.646 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.880 -3.039 12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.030 -1.858 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.439 -1.317 12.234 1.00 0.00 H new ATOM 839 N GLN A 152 -0.112 -1.879 13.422 1.00 0.00 N ATOM 840 CA GLN A 152 1.337 -2.206 13.226 1.00 0.00 C ATOM 841 C GLN A 152 1.989 -2.648 14.546 1.00 0.00 C ATOM 842 O GLN A 152 3.013 -3.305 14.541 1.00 0.00 O ATOM 843 CB GLN A 152 2.070 -0.971 12.684 1.00 0.00 C ATOM 844 CG GLN A 152 1.365 -0.443 11.426 1.00 0.00 C ATOM 845 CD GLN A 152 1.986 -1.071 10.180 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.180 -0.989 9.974 1.00 0.00 O ATOM 847 NE2 GLN A 152 1.215 -1.696 9.331 1.00 0.00 N ATOM 0 H GLN A 152 -0.394 -0.960 13.082 1.00 0.00 H new ATOM 0 HA GLN A 152 1.410 -3.028 12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.099 -0.193 13.447 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.103 -1.227 12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.301 -0.676 11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.452 0.643 11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 152 0.212 -1.763 9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 152 1.615 -2.117 8.493 1.00 0.00 H new ATOM 856 N LYS A 153 1.416 -2.289 15.670 1.00 0.00 N ATOM 857 CA LYS A 153 2.020 -2.685 16.979 1.00 0.00 C ATOM 858 C LYS A 153 1.482 -4.048 17.436 1.00 0.00 C ATOM 859 O LYS A 153 2.198 -4.825 18.038 1.00 0.00 O ATOM 860 CB LYS A 153 1.680 -1.633 18.037 1.00 0.00 C ATOM 861 CG LYS A 153 2.561 -0.399 17.838 1.00 0.00 C ATOM 862 CD LYS A 153 3.958 -0.672 18.400 1.00 0.00 C ATOM 863 CE LYS A 153 3.942 -0.490 19.920 1.00 0.00 C ATOM 864 NZ LYS A 153 5.238 0.096 20.366 1.00 0.00 N ATOM 0 H LYS A 153 0.559 -1.740 15.736 1.00 0.00 H new ATOM 0 HA LYS A 153 3.100 -2.756 16.853 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.628 -1.356 17.964 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.833 -2.044 19.035 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.626 -0.153 16.778 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.118 0.462 18.339 1.00 0.00 H new ATOM 0 HD2 LYS A 153 4.271 -1.685 18.148 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.682 0.007 17.949 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.118 0.161 20.210 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.777 -1.450 20.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.226 0.219 21.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 6.016 -0.541 20.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.377 1.020 19.909 1.00 0.00 H new ATOM 878 N ILE A 154 0.228 -4.339 17.177 1.00 0.00 N ATOM 879 CA ILE A 154 -0.340 -5.649 17.630 1.00 0.00 C ATOM 880 C ILE A 154 -0.804 -6.488 16.432 1.00 0.00 C ATOM 881 O ILE A 154 -0.457 -7.648 16.314 1.00 0.00 O ATOM 882 CB ILE A 154 -1.531 -5.393 18.560 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.110 -4.435 19.680 1.00 0.00 C ATOM 884 CG2 ILE A 154 -1.995 -6.718 19.173 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.503 -3.006 19.305 1.00 0.00 C ATOM 0 H ILE A 154 -0.421 -3.732 16.676 1.00 0.00 H new ATOM 0 HA ILE A 154 0.438 -6.199 18.159 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.347 -4.950 17.989 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -1.589 -4.721 20.616 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.034 -4.497 19.840 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -2.842 -6.536 19.834 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.295 -7.401 18.378 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.178 -7.161 19.743 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.203 -2.325 20.102 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.004 -2.722 18.379 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.583 -2.950 19.167 1.00 0.00 H new ATOM 897 N HIS A 155 -1.593 -5.920 15.556 1.00 0.00 N ATOM 898 CA HIS A 155 -2.087 -6.690 14.378 1.00 0.00 C ATOM 899 C HIS A 155 -0.902 -7.095 13.499 1.00 0.00 C ATOM 900 O HIS A 155 -0.488 -8.239 13.492 1.00 0.00 O ATOM 901 CB HIS A 155 -3.057 -5.817 13.576 1.00 0.00 C ATOM 902 CG HIS A 155 -4.286 -5.549 14.400 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.863 -6.517 15.207 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.058 -4.423 14.557 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.932 -5.961 15.808 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.096 -4.685 15.447 1.00 0.00 N ATOM 0 H HIS A 155 -1.916 -4.954 15.607 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.604 -7.589 14.715 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.577 -4.877 13.303 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.331 -6.317 12.647 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.537 -7.476 15.324 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.886 -3.478 14.064 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.578 -6.483 16.498 1.00 0.00 H new ATOM 914 N SER A 156 -0.357 -6.164 12.763 1.00 0.00 N ATOM 915 CA SER A 156 0.804 -6.480 11.882 1.00 0.00 C ATOM 916 C SER A 156 1.327 -5.196 11.239 1.00 0.00 C ATOM 917 O SER A 156 0.566 -4.310 10.894 1.00 0.00 O ATOM 918 CB SER A 156 0.359 -7.461 10.799 1.00 0.00 C ATOM 919 OG SER A 156 -0.322 -6.761 9.764 1.00 0.00 O ATOM 0 H SER A 156 -0.668 -5.193 12.734 1.00 0.00 H new ATOM 0 HA SER A 156 1.602 -6.929 12.473 1.00 0.00 H new ATOM 0 HB2 SER A 156 1.225 -7.982 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 156 -0.295 -8.219 11.229 1.00 0.00 H new ATOM 0 HG SER A 156 -0.604 -7.394 9.071 1.00 0.00 H new ATOM 925 N GLY A 157 2.619 -5.092 11.074 1.00 0.00 N ATOM 926 CA GLY A 157 3.202 -3.869 10.452 1.00 0.00 C ATOM 927 C GLY A 157 4.636 -4.158 10.004 1.00 0.00 C ATOM 928 O GLY A 157 5.227 -5.148 10.394 1.00 0.00 O ATOM 0 H GLY A 157 3.297 -5.804 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 157 2.599 -3.559 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 157 3.192 -3.045 11.166 1.00 0.00 H new ATOM 932 N ASN A 158 5.200 -3.302 9.191 1.00 0.00 N ATOM 933 CA ASN A 158 6.600 -3.518 8.717 1.00 0.00 C ATOM 934 C ASN A 158 7.521 -2.478 9.361 1.00 0.00 C ATOM 935 O ASN A 158 8.445 -1.985 8.742 1.00 0.00 O ATOM 936 CB ASN A 158 6.657 -3.373 7.193 1.00 0.00 C ATOM 937 CG ASN A 158 5.786 -4.448 6.534 1.00 0.00 C ATOM 938 OD1 ASN A 158 4.961 -5.063 7.180 1.00 0.00 O ATOM 939 ND2 ASN A 158 5.938 -4.700 5.262 1.00 0.00 N ATOM 0 H ASN A 158 4.749 -2.460 8.834 1.00 0.00 H new ATOM 0 HA ASN A 158 6.926 -4.520 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 158 6.311 -2.382 6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 158 7.687 -3.465 6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 158 5.364 -5.413 4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 158 6.630 -4.184 4.719 1.00 0.00 H new ATOM 946 N LEU A 159 7.271 -2.143 10.601 1.00 0.00 N ATOM 947 CA LEU A 159 8.123 -1.136 11.299 1.00 0.00 C ATOM 948 C LEU A 159 9.405 -1.805 11.801 1.00 0.00 C ATOM 949 O LEU A 159 9.363 -2.734 12.587 1.00 0.00 O ATOM 950 CB LEU A 159 7.350 -0.557 12.485 1.00 0.00 C ATOM 951 CG LEU A 159 7.951 0.791 12.881 1.00 0.00 C ATOM 952 CD1 LEU A 159 7.251 1.911 12.106 1.00 0.00 C ATOM 953 CD2 LEU A 159 7.754 1.011 14.383 1.00 0.00 C ATOM 0 H LEU A 159 6.510 -2.526 11.162 1.00 0.00 H new ATOM 0 HA LEU A 159 8.383 -0.336 10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 159 6.299 -0.435 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 159 7.389 -1.246 13.329 1.00 0.00 H new ATOM 0 HG LEU A 159 9.015 0.799 12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.680 2.872 12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 159 7.387 1.753 11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.187 1.906 12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 159 8.182 1.972 14.669 1.00 0.00 H new ATOM 0 HD22 LEU A 159 6.689 1.004 14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 159 8.251 0.214 14.936 1.00 0.00 H new ATOM 965 N GLY A 160 10.543 -1.338 11.352 1.00 0.00 N ATOM 966 CA GLY A 160 11.834 -1.940 11.798 1.00 0.00 C ATOM 967 C GLY A 160 12.023 -1.700 13.298 1.00 0.00 C ATOM 968 O GLY A 160 11.101 -1.316 13.994 1.00 0.00 O ATOM 0 H GLY A 160 10.632 -0.564 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 160 11.840 -3.009 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 160 12.663 -1.501 11.242 1.00 0.00 H new ATOM 972 N GLU A 161 13.212 -1.926 13.798 1.00 0.00 N ATOM 973 CA GLU A 161 13.473 -1.715 15.253 1.00 0.00 C ATOM 974 C GLU A 161 14.872 -1.123 15.441 1.00 0.00 C ATOM 975 O GLU A 161 15.617 -1.095 14.475 1.00 0.00 O ATOM 976 CB GLU A 161 13.379 -3.055 15.990 1.00 0.00 C ATOM 977 CG GLU A 161 14.333 -4.068 15.350 1.00 0.00 C ATOM 978 CD GLU A 161 15.716 -3.943 15.992 1.00 0.00 C ATOM 979 OE1 GLU A 161 15.784 -3.944 17.211 1.00 0.00 O ATOM 980 OE2 GLU A 161 16.683 -3.850 15.255 1.00 0.00 O ATOM 981 OXT GLU A 161 15.173 -0.706 16.547 1.00 0.00 O ATOM 0 H GLU A 161 14.015 -2.249 13.258 1.00 0.00 H new ATOM 0 HA GLU A 161 12.731 -1.027 15.658 1.00 0.00 H new ATOM 0 HB2 GLU A 161 13.630 -2.920 17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 161 12.356 -3.430 15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 161 13.949 -5.079 15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 161 14.401 -3.891 14.277 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.476 -3.328 16.051 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -22.517 20.069 12.440 1.00 0.00 ZN