USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=10 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 Set 1.1: A 130 LYS NZ :NH3+ -158:sc= 0.00251 (180deg=-0.0097) USER MOD Set 1.2: A 142 THR OG1 : rot 180:sc= 0.00323 USER MOD Single : A 103 SER OG : rot 180:sc= -0.104 USER MOD Single : A 110 THR OG1 : rot 49:sc= 0.291 USER MOD Single : A 116 GLN : amide:sc= -0.0919 K(o=-0.092,f=-2.1!) USER MOD Single : A 118 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.5) USER MOD Single : A 120 LYS NZ :NH3+ 162:sc= -0.337 (180deg=-0.902) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -25:sc= 1.11 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.5!) USER MOD Single : A 152 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.14) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -66:sc= 1.23 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -40.668 17.654 13.987 1.00 0.00 N ATOM 2 CA ARG A 102 -39.731 17.093 12.970 1.00 0.00 C ATOM 3 C ARG A 102 -38.422 17.885 12.989 1.00 0.00 C ATOM 4 O ARG A 102 -38.318 18.940 12.391 1.00 0.00 O ATOM 5 CB ARG A 102 -40.366 17.194 11.582 1.00 0.00 C ATOM 6 CG ARG A 102 -41.117 15.897 11.267 1.00 0.00 C ATOM 7 CD ARG A 102 -42.171 16.159 10.188 1.00 0.00 C ATOM 8 NE ARG A 102 -43.512 16.290 10.824 1.00 0.00 N ATOM 9 CZ ARG A 102 -43.847 17.404 11.416 1.00 0.00 C ATOM 10 NH1 ARG A 102 -43.510 17.608 12.660 1.00 0.00 N ATOM 11 NH2 ARG A 102 -44.521 18.312 10.765 1.00 0.00 N ATOM 0 HA ARG A 102 -39.527 16.048 13.202 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -41.051 18.041 11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -39.597 17.373 10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -40.417 15.134 10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -41.594 15.513 12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -41.927 17.069 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -42.178 15.343 9.465 1.00 0.00 H new ATOM 0 HE ARG A 102 -44.168 15.509 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -42.985 16.897 13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -43.772 18.478 13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -44.786 18.151 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -44.783 19.182 11.228 1.00 0.00 H new ATOM 25 N SER A 103 -37.424 17.382 13.672 1.00 0.00 N ATOM 26 CA SER A 103 -36.116 18.101 13.733 1.00 0.00 C ATOM 27 C SER A 103 -34.982 17.083 13.861 1.00 0.00 C ATOM 28 O SER A 103 -35.205 15.887 13.818 1.00 0.00 O ATOM 29 CB SER A 103 -36.097 19.042 14.941 1.00 0.00 C ATOM 30 OG SER A 103 -37.432 19.373 15.308 1.00 0.00 O ATOM 0 H SER A 103 -37.459 16.504 14.190 1.00 0.00 H new ATOM 0 HA SER A 103 -35.983 18.684 12.822 1.00 0.00 H new ATOM 0 HB2 SER A 103 -35.586 18.566 15.778 1.00 0.00 H new ATOM 0 HB3 SER A 103 -35.540 19.947 14.701 1.00 0.00 H new ATOM 0 HG SER A 103 -37.419 19.974 16.082 1.00 0.00 H new ATOM 36 N PHE A 104 -33.770 17.549 14.021 1.00 0.00 N ATOM 37 CA PHE A 104 -32.618 16.613 14.154 1.00 0.00 C ATOM 38 C PHE A 104 -32.418 16.271 15.631 1.00 0.00 C ATOM 39 O PHE A 104 -31.498 16.741 16.276 1.00 0.00 O ATOM 40 CB PHE A 104 -31.352 17.271 13.600 1.00 0.00 C ATOM 41 CG PHE A 104 -31.496 17.472 12.110 1.00 0.00 C ATOM 42 CD1 PHE A 104 -31.259 16.406 11.235 1.00 0.00 C ATOM 43 CD2 PHE A 104 -31.866 18.723 11.605 1.00 0.00 C ATOM 44 CE1 PHE A 104 -31.391 16.592 9.854 1.00 0.00 C ATOM 45 CE2 PHE A 104 -31.998 18.910 10.224 1.00 0.00 C ATOM 46 CZ PHE A 104 -31.760 17.844 9.348 1.00 0.00 C ATOM 0 H PHE A 104 -33.530 18.539 14.065 1.00 0.00 H new ATOM 0 HA PHE A 104 -32.820 15.701 13.592 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -31.183 18.229 14.092 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -30.484 16.647 13.811 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -30.974 15.440 11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -32.050 19.545 12.281 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -31.208 15.769 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -32.283 19.876 9.834 1.00 0.00 H new ATOM 0 HZ PHE A 104 -31.861 17.988 8.282 1.00 0.00 H new ATOM 56 N VAL A 105 -33.281 15.451 16.167 1.00 0.00 N ATOM 57 CA VAL A 105 -33.167 15.058 17.605 1.00 0.00 C ATOM 58 C VAL A 105 -32.332 13.777 17.709 1.00 0.00 C ATOM 59 O VAL A 105 -32.522 12.836 16.962 1.00 0.00 O ATOM 60 CB VAL A 105 -34.578 14.839 18.194 1.00 0.00 C ATOM 61 CG1 VAL A 105 -35.388 13.913 17.283 1.00 0.00 C ATOM 62 CG2 VAL A 105 -34.492 14.218 19.599 1.00 0.00 C ATOM 0 H VAL A 105 -34.066 15.032 15.668 1.00 0.00 H new ATOM 0 HA VAL A 105 -32.675 15.848 18.172 1.00 0.00 H new ATOM 0 HB VAL A 105 -35.071 15.809 18.265 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -36.381 13.764 17.706 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -35.478 14.363 16.294 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -34.882 12.951 17.199 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -35.497 14.073 19.995 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -33.982 13.256 19.541 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -33.936 14.885 20.258 1.00 0.00 H new ATOM 72 N CYS A 106 -31.415 13.742 18.640 1.00 0.00 N ATOM 73 CA CYS A 106 -30.564 12.530 18.814 1.00 0.00 C ATOM 74 C CYS A 106 -31.429 11.386 19.348 1.00 0.00 C ATOM 75 O CYS A 106 -32.371 11.604 20.085 1.00 0.00 O ATOM 76 CB CYS A 106 -29.443 12.833 19.811 1.00 0.00 C ATOM 77 SG CYS A 106 -28.289 11.439 19.861 1.00 0.00 S ATOM 0 H CYS A 106 -31.219 14.504 19.289 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.127 12.245 17.857 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -28.919 13.743 19.520 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -29.861 13.009 20.802 1.00 0.00 H new ATOM 82 N GLU A 107 -31.115 10.169 18.978 1.00 0.00 N ATOM 83 CA GLU A 107 -31.917 9.004 19.458 1.00 0.00 C ATOM 84 C GLU A 107 -31.322 8.439 20.754 1.00 0.00 C ATOM 85 O GLU A 107 -31.461 7.264 21.039 1.00 0.00 O ATOM 86 CB GLU A 107 -31.916 7.913 18.384 1.00 0.00 C ATOM 87 CG GLU A 107 -32.760 8.370 17.194 1.00 0.00 C ATOM 88 CD GLU A 107 -33.447 7.158 16.559 1.00 0.00 C ATOM 89 OE1 GLU A 107 -34.410 6.680 17.136 1.00 0.00 O ATOM 90 OE2 GLU A 107 -32.999 6.731 15.509 1.00 0.00 O ATOM 0 H GLU A 107 -30.336 9.933 18.363 1.00 0.00 H new ATOM 0 HA GLU A 107 -32.937 9.336 19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -30.896 7.706 18.062 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -32.316 6.985 18.792 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -33.506 9.094 17.521 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -32.130 8.871 16.459 1.00 0.00 H new ATOM 97 N VAL A 108 -30.660 9.255 21.539 1.00 0.00 N ATOM 98 CA VAL A 108 -30.060 8.752 22.810 1.00 0.00 C ATOM 99 C VAL A 108 -30.386 9.713 23.954 1.00 0.00 C ATOM 100 O VAL A 108 -30.812 9.298 25.017 1.00 0.00 O ATOM 101 CB VAL A 108 -28.541 8.642 22.653 1.00 0.00 C ATOM 102 CG1 VAL A 108 -27.950 7.937 23.875 1.00 0.00 C ATOM 103 CG2 VAL A 108 -28.213 7.836 21.394 1.00 0.00 C ATOM 0 H VAL A 108 -30.511 10.247 21.353 1.00 0.00 H new ATOM 0 HA VAL A 108 -30.475 7.770 23.036 1.00 0.00 H new ATOM 0 HB VAL A 108 -28.114 9.641 22.567 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -26.869 7.859 23.762 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -28.181 8.510 24.773 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -28.379 6.939 23.962 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -27.131 7.758 21.283 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -28.642 6.837 21.479 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -28.632 8.337 20.522 1.00 0.00 H new ATOM 113 N CYS A 109 -30.190 10.990 23.746 1.00 0.00 N ATOM 114 CA CYS A 109 -30.489 11.979 24.824 1.00 0.00 C ATOM 115 C CYS A 109 -31.713 12.830 24.453 1.00 0.00 C ATOM 116 O CYS A 109 -32.014 13.801 25.119 1.00 0.00 O ATOM 117 CB CYS A 109 -29.276 12.889 25.041 1.00 0.00 C ATOM 118 SG CYS A 109 -28.806 13.672 23.478 1.00 0.00 S ATOM 0 H CYS A 109 -29.836 11.390 22.877 1.00 0.00 H new ATOM 0 HA CYS A 109 -30.708 11.436 25.743 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -29.511 13.652 25.784 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -28.441 12.309 25.433 1.00 0.00 H new ATOM 123 N THR A 110 -32.426 12.473 23.402 1.00 0.00 N ATOM 124 CA THR A 110 -33.643 13.255 22.989 1.00 0.00 C ATOM 125 C THR A 110 -33.332 14.760 22.936 1.00 0.00 C ATOM 126 O THR A 110 -34.043 15.571 23.504 1.00 0.00 O ATOM 127 CB THR A 110 -34.797 12.994 23.970 1.00 0.00 C ATOM 128 OG1 THR A 110 -34.294 12.862 25.291 1.00 0.00 O ATOM 129 CG2 THR A 110 -35.523 11.708 23.571 1.00 0.00 C ATOM 0 H THR A 110 -32.215 11.669 22.811 1.00 0.00 H new ATOM 0 HA THR A 110 -33.938 12.927 21.992 1.00 0.00 H new ATOM 0 HB THR A 110 -35.491 13.834 23.935 1.00 0.00 H new ATOM 0 HG1 THR A 110 -33.686 13.606 25.486 1.00 0.00 H new ATOM 0 HG21 THR A 110 -36.342 11.522 24.266 1.00 0.00 H new ATOM 0 HG22 THR A 110 -35.921 11.813 22.562 1.00 0.00 H new ATOM 0 HG23 THR A 110 -34.825 10.872 23.601 1.00 0.00 H new ATOM 137 N ARG A 111 -32.277 15.133 22.258 1.00 0.00 N ATOM 138 CA ARG A 111 -31.914 16.579 22.165 1.00 0.00 C ATOM 139 C ARG A 111 -32.627 17.203 20.963 1.00 0.00 C ATOM 140 O ARG A 111 -33.567 16.642 20.434 1.00 0.00 O ATOM 141 CB ARG A 111 -30.397 16.716 21.995 1.00 0.00 C ATOM 142 CG ARG A 111 -29.891 17.910 22.810 1.00 0.00 C ATOM 143 CD ARG A 111 -28.495 17.604 23.353 1.00 0.00 C ATOM 144 NE ARG A 111 -27.788 18.883 23.647 1.00 0.00 N ATOM 145 CZ ARG A 111 -26.703 18.878 24.372 1.00 0.00 C ATOM 146 NH1 ARG A 111 -26.789 18.862 25.674 1.00 0.00 N ATOM 147 NH2 ARG A 111 -25.533 18.889 23.795 1.00 0.00 N ATOM 0 H ARG A 111 -31.650 14.498 21.764 1.00 0.00 H new ATOM 0 HA ARG A 111 -32.221 17.093 23.076 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.901 15.803 22.324 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -30.150 16.852 20.942 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.862 18.803 22.186 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -30.575 18.118 23.633 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.569 17.000 24.257 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -27.929 17.022 22.626 1.00 0.00 H new ATOM 0 HE ARG A 111 -28.153 19.763 23.281 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -27.704 18.853 26.125 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -25.941 18.858 26.241 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -25.466 18.902 22.777 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -24.685 18.885 24.362 1.00 0.00 H new ATOM 161 N ALA A 112 -32.190 18.358 20.530 1.00 0.00 N ATOM 162 CA ALA A 112 -32.842 19.016 19.362 1.00 0.00 C ATOM 163 C ALA A 112 -31.814 19.864 18.611 1.00 0.00 C ATOM 164 O ALA A 112 -31.242 20.788 19.156 1.00 0.00 O ATOM 165 CB ALA A 112 -33.985 19.909 19.848 1.00 0.00 C ATOM 0 H ALA A 112 -31.409 18.873 20.936 1.00 0.00 H new ATOM 0 HA ALA A 112 -33.239 18.252 18.693 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -34.460 20.389 18.993 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -34.720 19.303 20.379 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -33.591 20.672 20.519 1.00 0.00 H new ATOM 171 N PHE A 113 -31.581 19.555 17.361 1.00 0.00 N ATOM 172 CA PHE A 113 -30.595 20.338 16.561 1.00 0.00 C ATOM 173 C PHE A 113 -31.212 20.700 15.210 1.00 0.00 C ATOM 174 O PHE A 113 -32.187 20.108 14.786 1.00 0.00 O ATOM 175 CB PHE A 113 -29.335 19.497 16.338 1.00 0.00 C ATOM 176 CG PHE A 113 -28.721 19.148 17.671 1.00 0.00 C ATOM 177 CD1 PHE A 113 -28.000 20.112 18.384 1.00 0.00 C ATOM 178 CD2 PHE A 113 -28.870 17.858 18.194 1.00 0.00 C ATOM 179 CE1 PHE A 113 -27.429 19.788 19.620 1.00 0.00 C ATOM 180 CE2 PHE A 113 -28.299 17.533 19.431 1.00 0.00 C ATOM 181 CZ PHE A 113 -27.578 18.498 20.143 1.00 0.00 C ATOM 0 H PHE A 113 -32.034 18.791 16.859 1.00 0.00 H new ATOM 0 HA PHE A 113 -30.332 21.249 17.098 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -29.584 18.588 15.791 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -28.619 20.049 15.729 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -27.884 21.107 17.980 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -29.425 17.113 17.643 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -26.874 20.533 20.170 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -28.415 16.538 19.835 1.00 0.00 H new ATOM 0 HZ PHE A 113 -27.136 18.248 21.096 1.00 0.00 H new ATOM 191 N ALA A 114 -30.650 21.668 14.534 1.00 0.00 N ATOM 192 CA ALA A 114 -31.197 22.077 13.207 1.00 0.00 C ATOM 193 C ALA A 114 -30.188 21.738 12.106 1.00 0.00 C ATOM 194 O ALA A 114 -30.555 21.519 10.967 1.00 0.00 O ATOM 195 CB ALA A 114 -31.466 23.583 13.209 1.00 0.00 C ATOM 0 H ALA A 114 -29.833 22.194 14.845 1.00 0.00 H new ATOM 0 HA ALA A 114 -32.128 21.541 13.019 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -31.866 23.883 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -32.189 23.823 13.989 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -30.536 24.118 13.399 1.00 0.00 H new ATOM 201 N ARG A 115 -28.920 21.694 12.435 1.00 0.00 N ATOM 202 CA ARG A 115 -27.886 21.370 11.408 1.00 0.00 C ATOM 203 C ARG A 115 -27.382 19.942 11.621 1.00 0.00 C ATOM 204 O ARG A 115 -27.069 19.544 12.728 1.00 0.00 O ATOM 205 CB ARG A 115 -26.716 22.349 11.533 1.00 0.00 C ATOM 206 CG ARG A 115 -27.208 23.775 11.272 1.00 0.00 C ATOM 207 CD ARG A 115 -27.695 23.895 9.826 1.00 0.00 C ATOM 208 NE ARG A 115 -27.789 25.333 9.449 1.00 0.00 N ATOM 209 CZ ARG A 115 -27.143 25.776 8.406 1.00 0.00 C ATOM 210 NH1 ARG A 115 -25.838 25.773 8.398 1.00 0.00 N ATOM 211 NH2 ARG A 115 -27.801 26.223 7.372 1.00 0.00 N ATOM 0 H ARG A 115 -28.558 21.869 13.372 1.00 0.00 H new ATOM 0 HA ARG A 115 -28.325 21.454 10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -26.277 22.282 12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -25.933 22.088 10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -28.016 24.023 11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -26.403 24.487 11.455 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -27.009 23.377 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -28.668 23.416 9.718 1.00 0.00 H new ATOM 0 HE ARG A 115 -28.358 25.971 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -25.324 25.424 9.207 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -25.332 26.119 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -28.821 26.226 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -27.295 26.569 6.557 1.00 0.00 H new ATOM 225 N GLN A 116 -27.302 19.171 10.567 1.00 0.00 N ATOM 226 CA GLN A 116 -26.819 17.765 10.694 1.00 0.00 C ATOM 227 C GLN A 116 -25.304 17.757 10.919 1.00 0.00 C ATOM 228 O GLN A 116 -24.766 16.840 11.509 1.00 0.00 O ATOM 229 CB GLN A 116 -27.147 16.998 9.411 1.00 0.00 C ATOM 230 CG GLN A 116 -26.987 15.497 9.659 1.00 0.00 C ATOM 231 CD GLN A 116 -27.703 14.717 8.554 1.00 0.00 C ATOM 232 OE1 GLN A 116 -28.635 15.212 7.951 1.00 0.00 O ATOM 233 NE2 GLN A 116 -27.303 13.510 8.260 1.00 0.00 N ATOM 0 H GLN A 116 -27.552 19.457 9.620 1.00 0.00 H new ATOM 0 HA GLN A 116 -27.312 17.289 11.542 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -28.166 17.218 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -26.486 17.317 8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -25.930 15.232 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -27.401 15.232 10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -26.521 13.095 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -27.773 12.982 7.524 1.00 0.00 H new ATOM 242 N GLU A 117 -24.615 18.767 10.448 1.00 0.00 N ATOM 243 CA GLU A 117 -23.134 18.819 10.629 1.00 0.00 C ATOM 244 C GLU A 117 -22.795 18.880 12.122 1.00 0.00 C ATOM 245 O GLU A 117 -21.788 18.355 12.558 1.00 0.00 O ATOM 246 CB GLU A 117 -22.575 20.060 9.925 1.00 0.00 C ATOM 247 CG GLU A 117 -23.271 21.317 10.459 1.00 0.00 C ATOM 248 CD GLU A 117 -23.471 22.317 9.318 1.00 0.00 C ATOM 249 OE1 GLU A 117 -24.431 22.161 8.582 1.00 0.00 O ATOM 250 OE2 GLU A 117 -22.661 23.222 9.201 1.00 0.00 O ATOM 0 H GLU A 117 -25.017 19.558 9.945 1.00 0.00 H new ATOM 0 HA GLU A 117 -22.688 17.924 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.500 20.130 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.727 19.978 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -24.233 21.053 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -22.672 21.768 11.251 1.00 0.00 H new ATOM 257 N HIS A 118 -23.628 19.519 12.904 1.00 0.00 N ATOM 258 CA HIS A 118 -23.358 19.622 14.370 1.00 0.00 C ATOM 259 C HIS A 118 -23.759 18.316 15.060 1.00 0.00 C ATOM 260 O HIS A 118 -23.059 17.824 15.926 1.00 0.00 O ATOM 261 CB HIS A 118 -24.170 20.778 14.958 1.00 0.00 C ATOM 262 CG HIS A 118 -23.758 22.066 14.299 1.00 0.00 C ATOM 263 ND1 HIS A 118 -24.608 23.158 14.216 1.00 0.00 N ATOM 264 CD2 HIS A 118 -22.591 22.452 13.687 1.00 0.00 C ATOM 265 CE1 HIS A 118 -23.947 24.139 13.576 1.00 0.00 C ATOM 266 NE2 HIS A 118 -22.713 23.762 13.230 1.00 0.00 N ATOM 0 H HIS A 118 -24.485 19.974 12.590 1.00 0.00 H new ATOM 0 HA HIS A 118 -22.295 19.804 14.529 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -25.235 20.603 14.805 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -24.008 20.840 16.034 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -21.712 21.834 13.577 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -24.363 25.113 13.367 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -22.011 24.314 12.737 1.00 0.00 H new ATOM 274 N LEU A 119 -24.880 17.756 14.685 1.00 0.00 N ATOM 275 CA LEU A 119 -25.339 16.486 15.311 1.00 0.00 C ATOM 276 C LEU A 119 -24.322 15.372 15.040 1.00 0.00 C ATOM 277 O LEU A 119 -24.215 14.425 15.796 1.00 0.00 O ATOM 278 CB LEU A 119 -26.692 16.092 14.712 1.00 0.00 C ATOM 279 CG LEU A 119 -27.567 15.438 15.785 1.00 0.00 C ATOM 280 CD1 LEU A 119 -28.925 15.074 15.183 1.00 0.00 C ATOM 281 CD2 LEU A 119 -26.885 14.167 16.297 1.00 0.00 C ATOM 0 H LEU A 119 -25.500 18.129 13.966 1.00 0.00 H new ATOM 0 HA LEU A 119 -25.435 16.629 16.387 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -27.192 16.973 14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -26.545 15.402 13.881 1.00 0.00 H new ATOM 0 HG LEU A 119 -27.707 16.135 16.611 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -29.548 14.608 15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -29.414 15.976 14.816 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -28.782 14.377 14.357 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -27.508 13.702 17.061 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -26.745 13.471 15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -25.916 14.422 16.725 1.00 0.00 H new ATOM 293 N LYS A 120 -23.577 15.475 13.966 1.00 0.00 N ATOM 294 CA LYS A 120 -22.572 14.418 13.639 1.00 0.00 C ATOM 295 C LYS A 120 -21.585 14.257 14.800 1.00 0.00 C ATOM 296 O LYS A 120 -21.394 13.170 15.315 1.00 0.00 O ATOM 297 CB LYS A 120 -21.809 14.814 12.374 1.00 0.00 C ATOM 298 CG LYS A 120 -22.576 14.328 11.142 1.00 0.00 C ATOM 299 CD LYS A 120 -22.089 12.929 10.755 1.00 0.00 C ATOM 300 CE LYS A 120 -20.997 13.044 9.689 1.00 0.00 C ATOM 301 NZ LYS A 120 -19.702 13.390 10.339 1.00 0.00 N ATOM 0 H LYS A 120 -23.623 16.247 13.301 1.00 0.00 H new ATOM 0 HA LYS A 120 -23.089 13.472 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -21.685 15.896 12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -20.810 14.379 12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -23.645 14.307 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -22.427 15.019 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -21.702 12.412 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -22.921 12.335 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -20.904 12.103 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -21.265 13.808 8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.919 13.174 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -19.690 14.404 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.592 12.834 11.211 1.00 0.00 H new ATOM 315 N ARG A 121 -20.962 15.330 15.215 1.00 0.00 N ATOM 316 CA ARG A 121 -19.990 15.248 16.345 1.00 0.00 C ATOM 317 C ARG A 121 -20.742 14.900 17.632 1.00 0.00 C ATOM 318 O ARG A 121 -20.226 14.220 18.498 1.00 0.00 O ATOM 319 CB ARG A 121 -19.285 16.595 16.512 1.00 0.00 C ATOM 320 CG ARG A 121 -18.158 16.457 17.537 1.00 0.00 C ATOM 321 CD ARG A 121 -17.638 17.845 17.915 1.00 0.00 C ATOM 322 NE ARG A 121 -17.159 17.829 19.325 1.00 0.00 N ATOM 323 CZ ARG A 121 -17.162 18.928 20.029 1.00 0.00 C ATOM 324 NH1 ARG A 121 -18.252 19.642 20.120 1.00 0.00 N ATOM 325 NH2 ARG A 121 -16.077 19.314 20.641 1.00 0.00 N ATOM 0 H ARG A 121 -21.085 16.262 14.818 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.248 14.477 16.135 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.882 16.928 15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.997 17.352 16.839 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.521 15.939 18.425 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.349 15.854 17.125 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -16.827 18.135 17.247 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.429 18.586 17.797 1.00 0.00 H new ATOM 0 HE ARG A 121 -16.828 16.958 19.741 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.101 19.341 19.641 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -18.255 20.501 20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.226 18.757 20.570 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -16.080 20.173 21.191 1.00 0.00 H new ATOM 339 N HIS A 122 -21.960 15.363 17.757 1.00 0.00 N ATOM 340 CA HIS A 122 -22.760 15.066 18.981 1.00 0.00 C ATOM 341 C HIS A 122 -23.022 13.551 19.056 1.00 0.00 C ATOM 342 O HIS A 122 -23.271 13.013 20.119 1.00 0.00 O ATOM 343 CB HIS A 122 -24.090 15.844 18.907 1.00 0.00 C ATOM 344 CG HIS A 122 -25.020 15.426 20.021 1.00 0.00 C ATOM 345 ND1 HIS A 122 -24.913 15.937 21.306 1.00 0.00 N ATOM 346 CD2 HIS A 122 -26.078 14.550 20.054 1.00 0.00 C ATOM 347 CE1 HIS A 122 -25.879 15.370 22.050 1.00 0.00 C ATOM 348 NE2 HIS A 122 -26.617 14.516 21.336 1.00 0.00 N ATOM 0 H HIS A 122 -22.436 15.936 17.060 1.00 0.00 H new ATOM 0 HA HIS A 122 -22.218 15.373 19.876 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -23.894 16.914 18.973 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -24.567 15.666 17.943 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -24.226 16.619 21.628 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -26.437 13.975 19.213 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -26.039 15.580 23.097 1.00 0.00 H new ATOM 356 N TYR A 123 -22.972 12.864 17.939 1.00 0.00 N ATOM 357 CA TYR A 123 -23.220 11.391 17.948 1.00 0.00 C ATOM 358 C TYR A 123 -21.883 10.644 17.974 1.00 0.00 C ATOM 359 O TYR A 123 -21.761 9.560 17.437 1.00 0.00 O ATOM 360 CB TYR A 123 -23.999 11.002 16.690 1.00 0.00 C ATOM 361 CG TYR A 123 -24.806 9.755 16.962 1.00 0.00 C ATOM 362 CD1 TYR A 123 -26.001 9.840 17.688 1.00 0.00 C ATOM 363 CD2 TYR A 123 -24.360 8.516 16.491 1.00 0.00 C ATOM 364 CE1 TYR A 123 -26.749 8.684 17.941 1.00 0.00 C ATOM 365 CE2 TYR A 123 -25.109 7.359 16.744 1.00 0.00 C ATOM 366 CZ TYR A 123 -26.303 7.444 17.468 1.00 0.00 C ATOM 367 OH TYR A 123 -27.041 6.305 17.718 1.00 0.00 O ATOM 0 H TYR A 123 -22.770 13.262 17.022 1.00 0.00 H new ATOM 0 HA TYR A 123 -23.798 11.125 18.833 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -24.659 11.817 16.392 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -23.311 10.829 15.862 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -26.345 10.797 18.052 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -23.438 8.451 15.932 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -27.670 8.749 18.501 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -24.765 6.402 16.380 1.00 0.00 H new ATOM 0 HH TYR A 123 -26.592 5.530 17.320 1.00 0.00 H new ATOM 377 N ARG A 124 -20.885 11.217 18.598 1.00 0.00 N ATOM 378 CA ARG A 124 -19.553 10.547 18.668 1.00 0.00 C ATOM 379 C ARG A 124 -19.376 9.921 20.052 1.00 0.00 C ATOM 380 O ARG A 124 -18.737 8.896 20.202 1.00 0.00 O ATOM 381 CB ARG A 124 -18.451 11.582 18.432 1.00 0.00 C ATOM 382 CG ARG A 124 -17.099 10.874 18.313 1.00 0.00 C ATOM 383 CD ARG A 124 -16.230 11.600 17.284 1.00 0.00 C ATOM 384 NE ARG A 124 -16.655 11.207 15.911 1.00 0.00 N ATOM 385 CZ ARG A 124 -17.562 11.906 15.283 1.00 0.00 C ATOM 386 NH1 ARG A 124 -17.385 13.186 15.096 1.00 0.00 N ATOM 387 NH2 ARG A 124 -18.644 11.326 14.844 1.00 0.00 N ATOM 0 H ARG A 124 -20.937 12.123 19.063 1.00 0.00 H new ATOM 0 HA ARG A 124 -19.492 9.771 17.905 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -18.658 12.148 17.524 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -18.427 12.297 19.254 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -16.598 10.859 19.281 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -17.245 9.836 18.013 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -16.322 12.679 17.410 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -15.180 11.350 17.437 1.00 0.00 H new ATOM 0 HE ARG A 124 -16.238 10.392 15.462 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -16.539 13.639 15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -18.093 13.732 14.606 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -18.782 10.326 14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.352 11.872 14.354 1.00 0.00 H new ATOM 401 N SER A 125 -19.941 10.532 21.061 1.00 0.00 N ATOM 402 CA SER A 125 -19.816 9.984 22.444 1.00 0.00 C ATOM 403 C SER A 125 -21.033 9.110 22.771 1.00 0.00 C ATOM 404 O SER A 125 -20.975 8.256 23.633 1.00 0.00 O ATOM 405 CB SER A 125 -19.737 11.139 23.443 1.00 0.00 C ATOM 406 OG SER A 125 -21.015 11.753 23.552 1.00 0.00 O ATOM 0 H SER A 125 -20.486 11.391 20.986 1.00 0.00 H new ATOM 0 HA SER A 125 -18.912 9.379 22.510 1.00 0.00 H new ATOM 0 HB2 SER A 125 -19.413 10.772 24.417 1.00 0.00 H new ATOM 0 HB3 SER A 125 -18.997 11.869 23.115 1.00 0.00 H new ATOM 0 HG SER A 125 -20.969 12.493 24.193 1.00 0.00 H new ATOM 412 N HIS A 126 -22.137 9.319 22.090 1.00 0.00 N ATOM 413 CA HIS A 126 -23.360 8.504 22.361 1.00 0.00 C ATOM 414 C HIS A 126 -23.060 7.021 22.129 1.00 0.00 C ATOM 415 O HIS A 126 -23.118 6.218 23.042 1.00 0.00 O ATOM 416 CB HIS A 126 -24.483 8.947 21.421 1.00 0.00 C ATOM 417 CG HIS A 126 -25.205 10.122 22.020 1.00 0.00 C ATOM 418 ND1 HIS A 126 -25.668 10.119 23.327 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.554 11.345 21.502 1.00 0.00 C ATOM 420 CE1 HIS A 126 -26.262 11.305 23.550 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.222 12.091 22.470 1.00 0.00 N ATOM 0 H HIS A 126 -22.241 10.021 21.357 1.00 0.00 H new ATOM 0 HA HIS A 126 -23.667 8.650 23.397 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -24.072 9.217 20.448 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -25.179 8.125 21.256 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -25.575 9.356 23.998 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -25.343 11.678 20.497 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -26.716 11.588 24.488 1.00 0.00 H new ATOM 429 N THR A 127 -22.742 6.653 20.913 1.00 0.00 N ATOM 430 CA THR A 127 -22.439 5.221 20.615 1.00 0.00 C ATOM 431 C THR A 127 -20.922 4.999 20.526 1.00 0.00 C ATOM 432 O THR A 127 -20.472 3.955 20.092 1.00 0.00 O ATOM 433 CB THR A 127 -23.087 4.834 19.282 1.00 0.00 C ATOM 434 OG1 THR A 127 -22.681 3.520 18.926 1.00 0.00 O ATOM 435 CG2 THR A 127 -22.649 5.816 18.194 1.00 0.00 C ATOM 0 H THR A 127 -22.679 7.284 20.114 1.00 0.00 H new ATOM 0 HA THR A 127 -22.838 4.602 21.418 1.00 0.00 H new ATOM 0 HB THR A 127 -24.172 4.867 19.382 1.00 0.00 H new ATOM 0 HG1 THR A 127 -21.824 3.315 19.355 1.00 0.00 H new ATOM 0 HG21 THR A 127 -23.111 5.539 17.246 1.00 0.00 H new ATOM 0 HG22 THR A 127 -22.959 6.824 18.468 1.00 0.00 H new ATOM 0 HG23 THR A 127 -21.564 5.785 18.091 1.00 0.00 H new ATOM 443 N ASN A 128 -20.126 5.963 20.936 1.00 0.00 N ATOM 444 CA ASN A 128 -18.639 5.796 20.877 1.00 0.00 C ATOM 445 C ASN A 128 -18.199 5.503 19.438 1.00 0.00 C ATOM 446 O ASN A 128 -17.300 4.716 19.205 1.00 0.00 O ATOM 447 CB ASN A 128 -18.222 4.636 21.785 1.00 0.00 C ATOM 448 CG ASN A 128 -18.641 4.938 23.225 1.00 0.00 C ATOM 449 OD1 ASN A 128 -19.413 4.205 23.811 1.00 0.00 O ATOM 450 ND2 ASN A 128 -18.162 5.994 23.823 1.00 0.00 N ATOM 0 H ASN A 128 -20.445 6.857 21.309 1.00 0.00 H new ATOM 0 HA ASN A 128 -18.162 6.717 21.214 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -18.687 3.710 21.446 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -17.143 4.489 21.732 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -18.435 6.205 24.783 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -17.514 6.609 23.331 1.00 0.00 H new ATOM 457 N GLU A 129 -18.825 6.131 18.476 1.00 0.00 N ATOM 458 CA GLU A 129 -18.447 5.895 17.051 1.00 0.00 C ATOM 459 C GLU A 129 -17.371 6.900 16.636 1.00 0.00 C ATOM 460 O GLU A 129 -17.594 8.097 16.642 1.00 0.00 O ATOM 461 CB GLU A 129 -19.678 6.067 16.160 1.00 0.00 C ATOM 462 CG GLU A 129 -20.400 4.725 16.023 1.00 0.00 C ATOM 463 CD GLU A 129 -21.392 4.794 14.861 1.00 0.00 C ATOM 464 OE1 GLU A 129 -22.245 5.665 14.886 1.00 0.00 O ATOM 465 OE2 GLU A 129 -21.282 3.973 13.964 1.00 0.00 O ATOM 0 H GLU A 129 -19.583 6.798 18.617 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.060 4.882 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -20.349 6.811 16.589 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -19.381 6.434 15.178 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.677 3.927 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -20.924 4.486 16.948 1.00 0.00 H new ATOM 472 N LYS A 130 -16.205 6.423 16.278 1.00 0.00 N ATOM 473 CA LYS A 130 -15.108 7.345 15.865 1.00 0.00 C ATOM 474 C LYS A 130 -14.899 7.257 14.341 1.00 0.00 C ATOM 475 O LYS A 130 -15.381 6.333 13.716 1.00 0.00 O ATOM 476 CB LYS A 130 -13.816 6.958 16.588 1.00 0.00 C ATOM 477 CG LYS A 130 -13.725 7.729 17.906 1.00 0.00 C ATOM 478 CD LYS A 130 -12.705 7.057 18.826 1.00 0.00 C ATOM 479 CE LYS A 130 -13.166 7.178 20.280 1.00 0.00 C ATOM 480 NZ LYS A 130 -13.040 8.596 20.724 1.00 0.00 N ATOM 0 H LYS A 130 -15.967 5.431 16.255 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.377 8.368 16.129 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.800 5.885 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.953 7.183 15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -13.432 8.762 17.715 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -14.701 7.759 18.390 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.593 6.007 18.556 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.727 7.524 18.704 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -14.200 6.847 20.374 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -12.565 6.531 20.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.985 8.631 21.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.178 9.012 20.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -13.869 9.135 20.403 1.00 0.00 H new ATOM 494 N PRO A 131 -14.197 8.225 13.775 1.00 0.00 N ATOM 495 CA PRO A 131 -13.940 8.258 12.322 1.00 0.00 C ATOM 496 C PRO A 131 -12.825 7.282 11.918 1.00 0.00 C ATOM 497 O PRO A 131 -12.616 7.034 10.744 1.00 0.00 O ATOM 498 CB PRO A 131 -13.507 9.705 12.063 1.00 0.00 C ATOM 499 CG PRO A 131 -12.991 10.258 13.412 1.00 0.00 C ATOM 500 CD PRO A 131 -13.597 9.369 14.513 1.00 0.00 C ATOM 0 HA PRO A 131 -14.814 7.958 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.727 9.746 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.343 10.300 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.902 10.233 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.291 11.298 13.545 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.835 9.033 15.216 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.348 9.908 15.090 1.00 0.00 H new ATOM 508 N TYR A 132 -12.101 6.731 12.866 1.00 0.00 N ATOM 509 CA TYR A 132 -11.001 5.784 12.509 1.00 0.00 C ATOM 510 C TYR A 132 -11.161 4.463 13.292 1.00 0.00 C ATOM 511 O TYR A 132 -10.388 4.191 14.191 1.00 0.00 O ATOM 512 CB TYR A 132 -9.651 6.424 12.843 1.00 0.00 C ATOM 513 CG TYR A 132 -9.540 7.761 12.148 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.403 7.816 10.756 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.574 8.943 12.896 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.299 9.054 10.111 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.471 10.181 12.251 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.333 10.238 10.859 1.00 0.00 C ATOM 519 OH TYR A 132 -9.230 11.458 10.225 1.00 0.00 O ATOM 0 H TYR A 132 -12.225 6.897 13.865 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.048 5.567 11.442 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.555 6.554 13.921 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.838 5.770 12.527 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.378 6.903 10.180 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.680 8.900 13.970 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.193 9.096 9.037 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.498 11.094 12.828 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.272 12.177 10.890 1.00 0.00 H new ATOM 529 N PRO A 133 -12.151 3.664 12.931 1.00 0.00 N ATOM 530 CA PRO A 133 -12.390 2.371 13.597 1.00 0.00 C ATOM 531 C PRO A 133 -11.428 1.311 13.050 1.00 0.00 C ATOM 532 O PRO A 133 -11.053 1.346 11.892 1.00 0.00 O ATOM 533 CB PRO A 133 -13.835 2.031 13.225 1.00 0.00 C ATOM 534 CG PRO A 133 -14.150 2.820 11.931 1.00 0.00 C ATOM 535 CD PRO A 133 -13.121 3.963 11.847 1.00 0.00 C ATOM 0 HA PRO A 133 -12.232 2.409 14.675 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.953 0.959 13.065 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.519 2.311 14.027 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.081 2.173 11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.166 3.215 11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.633 3.988 10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.593 4.935 11.992 1.00 0.00 H new ATOM 543 N CYS A 134 -11.030 0.369 13.869 1.00 0.00 N ATOM 544 CA CYS A 134 -10.096 -0.696 13.393 1.00 0.00 C ATOM 545 C CYS A 134 -10.885 -1.743 12.602 1.00 0.00 C ATOM 546 O CYS A 134 -11.935 -2.187 13.024 1.00 0.00 O ATOM 547 CB CYS A 134 -9.418 -1.362 14.593 1.00 0.00 C ATOM 548 SG CYS A 134 -8.111 -2.470 14.012 1.00 0.00 S ATOM 0 H CYS A 134 -11.312 0.292 14.846 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.334 -0.252 12.753 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -8.999 -0.604 15.254 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.151 -1.921 15.174 1.00 0.00 H new ATOM 553 N GLY A 135 -10.385 -2.136 11.457 1.00 0.00 N ATOM 554 CA GLY A 135 -11.101 -3.152 10.630 1.00 0.00 C ATOM 555 C GLY A 135 -10.503 -4.538 10.880 1.00 0.00 C ATOM 556 O GLY A 135 -10.522 -5.394 10.016 1.00 0.00 O ATOM 0 H GLY A 135 -9.510 -1.795 11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.162 -3.154 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.021 -2.896 9.573 1.00 0.00 H new ATOM 560 N LEU A 136 -9.975 -4.763 12.056 1.00 0.00 N ATOM 561 CA LEU A 136 -9.374 -6.094 12.371 1.00 0.00 C ATOM 562 C LEU A 136 -10.002 -6.636 13.656 1.00 0.00 C ATOM 563 O LEU A 136 -10.365 -7.794 13.743 1.00 0.00 O ATOM 564 CB LEU A 136 -7.858 -5.949 12.567 1.00 0.00 C ATOM 565 CG LEU A 136 -7.255 -5.089 11.447 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.760 -4.894 11.701 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.458 -5.784 10.097 1.00 0.00 C ATOM 0 H LEU A 136 -9.934 -4.081 12.813 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.564 -6.781 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.652 -5.493 13.536 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.389 -6.933 12.571 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.751 -4.118 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.332 -4.283 10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.616 -4.395 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.264 -5.865 11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.029 -5.171 9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.966 -6.756 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.524 -5.920 9.914 1.00 0.00 H new ATOM 579 N CYS A 137 -10.130 -5.799 14.654 1.00 0.00 N ATOM 580 CA CYS A 137 -10.733 -6.243 15.947 1.00 0.00 C ATOM 581 C CYS A 137 -11.945 -5.369 16.310 1.00 0.00 C ATOM 582 O CYS A 137 -12.591 -5.587 17.316 1.00 0.00 O ATOM 583 CB CYS A 137 -9.682 -6.129 17.046 1.00 0.00 C ATOM 584 SG CYS A 137 -9.052 -4.431 17.132 1.00 0.00 S ATOM 0 H CYS A 137 -9.841 -4.821 14.628 1.00 0.00 H new ATOM 0 HA CYS A 137 -11.067 -7.276 15.847 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.115 -6.413 18.005 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.862 -6.820 16.849 1.00 0.00 H new ATOM 589 N ASN A 138 -12.243 -4.374 15.509 1.00 0.00 N ATOM 590 CA ASN A 138 -13.399 -3.461 15.797 1.00 0.00 C ATOM 591 C ASN A 138 -13.037 -2.551 16.971 1.00 0.00 C ATOM 592 O ASN A 138 -13.452 -2.769 18.093 1.00 0.00 O ATOM 593 CB ASN A 138 -14.662 -4.267 16.137 1.00 0.00 C ATOM 594 CG ASN A 138 -15.898 -3.382 15.957 1.00 0.00 C ATOM 595 OD1 ASN A 138 -15.807 -2.171 16.013 1.00 0.00 O ATOM 596 ND2 ASN A 138 -17.059 -3.939 15.743 1.00 0.00 N ATOM 0 H ASN A 138 -11.729 -4.152 14.657 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.605 -2.863 14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.732 -5.143 15.492 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.609 -4.631 17.163 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.889 -3.358 15.623 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -17.136 -4.955 15.696 1.00 0.00 H new ATOM 603 N ARG A 139 -12.262 -1.530 16.710 1.00 0.00 N ATOM 604 CA ARG A 139 -11.855 -0.587 17.793 1.00 0.00 C ATOM 605 C ARG A 139 -12.266 0.833 17.402 1.00 0.00 C ATOM 606 O ARG A 139 -12.956 1.035 16.420 1.00 0.00 O ATOM 607 CB ARG A 139 -10.336 -0.653 17.976 1.00 0.00 C ATOM 608 CG ARG A 139 -9.991 -1.737 19.000 1.00 0.00 C ATOM 609 CD ARG A 139 -9.945 -1.121 20.399 1.00 0.00 C ATOM 610 NE ARG A 139 -9.832 -2.206 21.415 1.00 0.00 N ATOM 611 CZ ARG A 139 -10.298 -2.022 22.620 1.00 0.00 C ATOM 612 NH1 ARG A 139 -11.583 -2.083 22.838 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.479 -1.779 23.606 1.00 0.00 N ATOM 0 H ARG A 139 -11.891 -1.308 15.786 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.344 -0.862 18.728 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.854 -0.871 17.023 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.957 0.313 18.311 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.734 -2.534 18.966 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.029 -2.188 18.758 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.097 -0.441 20.481 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.844 -0.532 20.579 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.391 -3.092 21.168 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -12.223 -2.274 22.067 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.948 -1.939 23.780 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.474 -1.733 23.435 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.843 -1.635 24.548 1.00 0.00 H new ATOM 627 N ALA A 140 -11.852 1.817 18.161 1.00 0.00 N ATOM 628 CA ALA A 140 -12.223 3.224 17.831 1.00 0.00 C ATOM 629 C ALA A 140 -11.030 4.151 18.089 1.00 0.00 C ATOM 630 O ALA A 140 -10.366 4.056 19.103 1.00 0.00 O ATOM 631 CB ALA A 140 -13.405 3.653 18.706 1.00 0.00 C ATOM 0 H ALA A 140 -11.274 1.705 18.994 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.503 3.288 16.779 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.680 4.681 18.468 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.255 2.997 18.517 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.123 3.587 19.757 1.00 0.00 H new ATOM 637 N PHE A 141 -10.764 5.050 17.175 1.00 0.00 N ATOM 638 CA PHE A 141 -9.623 5.998 17.353 1.00 0.00 C ATOM 639 C PHE A 141 -10.032 7.378 16.832 1.00 0.00 C ATOM 640 O PHE A 141 -10.749 7.492 15.856 1.00 0.00 O ATOM 641 CB PHE A 141 -8.409 5.496 16.570 1.00 0.00 C ATOM 642 CG PHE A 141 -7.993 4.142 17.098 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.074 4.056 18.151 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.526 2.976 16.536 1.00 0.00 C ATOM 645 CE1 PHE A 141 -6.689 2.802 18.641 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.140 1.723 17.026 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.222 1.636 18.079 1.00 0.00 C ATOM 0 H PHE A 141 -11.291 5.168 16.310 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.365 6.065 18.410 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.651 5.426 15.509 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.585 6.203 16.663 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.663 4.956 18.585 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.235 3.043 15.724 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -5.980 2.734 19.453 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.550 0.823 16.592 1.00 0.00 H new ATOM 0 HZ PHE A 141 -6.925 0.669 18.458 1.00 0.00 H new ATOM 657 N THR A 142 -9.588 8.426 17.480 1.00 0.00 N ATOM 658 CA THR A 142 -9.956 9.803 17.031 1.00 0.00 C ATOM 659 C THR A 142 -8.980 10.282 15.954 1.00 0.00 C ATOM 660 O THR A 142 -9.346 11.030 15.067 1.00 0.00 O ATOM 661 CB THR A 142 -9.904 10.760 18.223 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.257 10.057 19.406 1.00 0.00 O ATOM 663 CG2 THR A 142 -10.884 11.912 17.999 1.00 0.00 C ATOM 0 H THR A 142 -8.985 8.387 18.302 1.00 0.00 H new ATOM 0 HA THR A 142 -10.965 9.784 16.618 1.00 0.00 H new ATOM 0 HB THR A 142 -8.896 11.161 18.325 1.00 0.00 H new ATOM 0 HG1 THR A 142 -10.223 10.668 20.172 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.846 12.593 18.849 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.612 12.450 17.091 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.894 11.516 17.897 1.00 0.00 H new ATOM 671 N ARG A 143 -7.742 9.863 16.027 1.00 0.00 N ATOM 672 CA ARG A 143 -6.739 10.299 15.011 1.00 0.00 C ATOM 673 C ARG A 143 -6.434 9.142 14.058 1.00 0.00 C ATOM 674 O ARG A 143 -6.445 7.989 14.445 1.00 0.00 O ATOM 675 CB ARG A 143 -5.452 10.733 15.716 1.00 0.00 C ATOM 676 CG ARG A 143 -5.760 11.887 16.673 1.00 0.00 C ATOM 677 CD ARG A 143 -5.778 13.205 15.896 1.00 0.00 C ATOM 678 NE ARG A 143 -4.439 13.853 15.984 1.00 0.00 N ATOM 679 CZ ARG A 143 -4.306 14.998 16.597 1.00 0.00 C ATOM 680 NH1 ARG A 143 -4.479 16.113 15.941 1.00 0.00 N ATOM 681 NH2 ARG A 143 -4.003 15.029 17.866 1.00 0.00 N ATOM 0 H ARG A 143 -7.383 9.237 16.748 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.143 11.137 14.443 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.025 9.894 16.266 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.709 11.044 14.981 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.723 11.725 17.157 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.010 11.929 17.463 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -6.037 13.021 14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.542 13.868 16.302 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.626 13.402 15.565 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -4.718 16.090 14.950 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -4.375 17.008 16.420 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.870 14.158 18.380 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.899 15.924 18.344 1.00 0.00 H new ATOM 695 N ARG A 144 -6.160 9.446 12.814 1.00 0.00 N ATOM 696 CA ARG A 144 -5.851 8.371 11.827 1.00 0.00 C ATOM 697 C ARG A 144 -4.507 7.731 12.180 1.00 0.00 C ATOM 698 O ARG A 144 -4.334 6.533 12.069 1.00 0.00 O ATOM 699 CB ARG A 144 -5.776 8.972 10.421 1.00 0.00 C ATOM 700 CG ARG A 144 -5.610 7.850 9.393 1.00 0.00 C ATOM 701 CD ARG A 144 -6.329 8.221 8.091 1.00 0.00 C ATOM 702 NE ARG A 144 -7.375 7.202 7.796 1.00 0.00 N ATOM 703 CZ ARG A 144 -7.228 6.387 6.786 1.00 0.00 C ATOM 704 NH1 ARG A 144 -6.067 5.836 6.555 1.00 0.00 N ATOM 705 NH2 ARG A 144 -8.241 6.124 6.006 1.00 0.00 N ATOM 0 H ARG A 144 -6.137 10.395 12.440 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.635 7.614 11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.680 9.542 10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.938 9.666 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.551 7.679 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.016 6.919 9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.782 9.208 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -5.614 8.273 7.270 1.00 0.00 H new ATOM 0 HE ARG A 144 -8.207 7.141 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -5.275 6.042 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -5.952 5.200 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -9.148 6.555 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -8.126 5.487 5.217 1.00 0.00 H new ATOM 719 N ASP A 145 -3.558 8.525 12.610 1.00 0.00 N ATOM 720 CA ASP A 145 -2.221 7.972 12.979 1.00 0.00 C ATOM 721 C ASP A 145 -2.380 6.996 14.148 1.00 0.00 C ATOM 722 O ASP A 145 -1.625 6.052 14.285 1.00 0.00 O ATOM 723 CB ASP A 145 -1.292 9.117 13.393 1.00 0.00 C ATOM 724 CG ASP A 145 -1.960 9.946 14.492 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.944 9.508 15.629 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.475 11.006 14.175 1.00 0.00 O ATOM 0 H ASP A 145 -3.653 9.534 12.721 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.794 7.449 12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.343 8.718 13.750 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.069 9.747 12.532 1.00 0.00 H new ATOM 731 N LEU A 146 -3.362 7.216 14.985 1.00 0.00 N ATOM 732 CA LEU A 146 -3.586 6.305 16.145 1.00 0.00 C ATOM 733 C LEU A 146 -3.961 4.914 15.637 1.00 0.00 C ATOM 734 O LEU A 146 -3.382 3.920 16.032 1.00 0.00 O ATOM 735 CB LEU A 146 -4.726 6.851 17.005 1.00 0.00 C ATOM 736 CG LEU A 146 -4.162 7.783 18.078 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.314 8.472 18.811 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.339 6.967 19.077 1.00 0.00 C ATOM 0 H LEU A 146 -4.021 7.992 14.913 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.674 6.243 16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.440 7.389 16.381 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.268 6.029 17.472 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.527 8.535 17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.913 9.137 19.576 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.903 9.051 18.100 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.948 7.720 19.280 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.936 7.629 19.843 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.975 6.216 19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.519 6.474 18.556 1.00 0.00 H new ATOM 750 N LEU A 147 -4.934 4.838 14.764 1.00 0.00 N ATOM 751 CA LEU A 147 -5.370 3.516 14.217 1.00 0.00 C ATOM 752 C LEU A 147 -4.182 2.787 13.584 1.00 0.00 C ATOM 753 O LEU A 147 -4.062 1.580 13.683 1.00 0.00 O ATOM 754 CB LEU A 147 -6.448 3.739 13.155 1.00 0.00 C ATOM 755 CG LEU A 147 -7.114 2.403 12.818 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.584 2.640 12.470 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.401 1.758 11.624 1.00 0.00 C ATOM 0 H LEU A 147 -5.449 5.641 14.404 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.768 2.909 15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.192 4.447 13.520 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -6.006 4.174 12.258 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.047 1.738 13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.059 1.689 12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.091 3.094 13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.651 3.307 11.610 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.877 0.807 11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.464 2.421 10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.354 1.587 11.874 1.00 0.00 H new ATOM 769 N ILE A 148 -3.305 3.510 12.934 1.00 0.00 N ATOM 770 CA ILE A 148 -2.124 2.861 12.294 1.00 0.00 C ATOM 771 C ILE A 148 -1.247 2.235 13.383 1.00 0.00 C ATOM 772 O ILE A 148 -0.774 1.121 13.249 1.00 0.00 O ATOM 773 CB ILE A 148 -1.317 3.905 11.516 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.224 4.589 10.487 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.155 3.222 10.789 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.463 5.734 9.815 1.00 0.00 C ATOM 0 H ILE A 148 -3.357 4.522 12.820 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.460 2.087 11.604 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.925 4.647 12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.551 3.867 9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.121 4.971 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.417 3.967 10.237 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.493 2.734 11.517 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.547 2.478 10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.109 6.220 9.083 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.158 6.460 10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.580 5.339 9.314 1.00 0.00 H new ATOM 788 N ARG A 149 -1.035 2.944 14.462 1.00 0.00 N ATOM 789 CA ARG A 149 -0.199 2.401 15.574 1.00 0.00 C ATOM 790 C ARG A 149 -0.878 1.157 16.158 1.00 0.00 C ATOM 791 O ARG A 149 -0.226 0.271 16.675 1.00 0.00 O ATOM 792 CB ARG A 149 -0.051 3.469 16.661 1.00 0.00 C ATOM 793 CG ARG A 149 0.867 2.954 17.775 1.00 0.00 C ATOM 794 CD ARG A 149 0.024 2.387 18.923 1.00 0.00 C ATOM 795 NE ARG A 149 0.539 2.907 20.222 1.00 0.00 N ATOM 796 CZ ARG A 149 -0.104 3.856 20.846 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.430 4.948 20.212 1.00 0.00 N ATOM 798 NH2 ARG A 149 -0.422 3.710 22.103 1.00 0.00 N ATOM 0 H ARG A 149 -1.407 3.880 14.621 1.00 0.00 H new ATOM 0 HA ARG A 149 0.787 2.129 15.197 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.360 4.383 16.232 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -1.029 3.721 17.071 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.531 2.183 17.384 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.499 3.763 18.141 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -1.021 2.669 18.795 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.063 1.298 18.914 1.00 0.00 H new ATOM 0 HE ARG A 149 1.394 2.521 20.623 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.182 5.060 19.229 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.933 5.690 20.699 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -0.168 2.855 22.597 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -0.924 4.451 22.591 1.00 0.00 H new ATOM 812 N HIS A 150 -2.184 1.090 16.079 1.00 0.00 N ATOM 813 CA HIS A 150 -2.917 -0.089 16.624 1.00 0.00 C ATOM 814 C HIS A 150 -2.568 -1.328 15.785 1.00 0.00 C ATOM 815 O HIS A 150 -2.327 -2.396 16.316 1.00 0.00 O ATOM 816 CB HIS A 150 -4.430 0.202 16.565 1.00 0.00 C ATOM 817 CG HIS A 150 -5.233 -1.034 16.888 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.603 -1.365 18.183 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.743 -2.026 16.089 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.304 -2.513 18.123 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.419 -2.959 16.870 1.00 0.00 N ATOM 0 H HIS A 150 -2.775 1.807 15.658 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.631 -0.277 17.659 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.679 0.996 17.270 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.696 0.563 15.571 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -5.384 -0.835 19.027 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.636 -2.075 15.015 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.723 -3.013 18.984 1.00 0.00 H new ATOM 829 N ALA A 151 -2.547 -1.192 14.484 1.00 0.00 N ATOM 830 CA ALA A 151 -2.224 -2.359 13.610 1.00 0.00 C ATOM 831 C ALA A 151 -0.716 -2.649 13.643 1.00 0.00 C ATOM 832 O ALA A 151 -0.284 -3.732 13.298 1.00 0.00 O ATOM 833 CB ALA A 151 -2.653 -2.054 12.173 1.00 0.00 C ATOM 0 H ALA A 151 -2.740 -0.321 13.989 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.760 -3.234 13.977 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.417 -2.905 11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.726 -1.866 12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.121 -1.173 11.814 1.00 0.00 H new ATOM 839 N GLN A 152 0.087 -1.693 14.046 1.00 0.00 N ATOM 840 CA GLN A 152 1.564 -1.916 14.089 1.00 0.00 C ATOM 841 C GLN A 152 1.970 -2.540 15.430 1.00 0.00 C ATOM 842 O GLN A 152 3.011 -3.161 15.538 1.00 0.00 O ATOM 843 CB GLN A 152 2.283 -0.576 13.919 1.00 0.00 C ATOM 844 CG GLN A 152 1.769 0.138 12.659 1.00 0.00 C ATOM 845 CD GLN A 152 2.861 0.152 11.586 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.607 -0.165 10.440 1.00 0.00 O ATOM 847 NE2 GLN A 152 4.073 0.507 11.911 1.00 0.00 N ATOM 0 H GLN A 152 -0.219 -0.768 14.347 1.00 0.00 H new ATOM 0 HA GLN A 152 1.843 -2.595 13.283 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.116 0.050 14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.358 -0.738 13.843 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.881 -0.368 12.280 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.474 1.158 12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 152 4.286 0.773 12.872 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.808 0.519 11.204 1.00 0.00 H new ATOM 856 N LYS A 153 1.166 -2.374 16.454 1.00 0.00 N ATOM 857 CA LYS A 153 1.517 -2.950 17.787 1.00 0.00 C ATOM 858 C LYS A 153 0.798 -4.285 17.985 1.00 0.00 C ATOM 859 O LYS A 153 1.418 -5.311 18.192 1.00 0.00 O ATOM 860 CB LYS A 153 1.087 -1.979 18.889 1.00 0.00 C ATOM 861 CG LYS A 153 1.977 -0.735 18.856 1.00 0.00 C ATOM 862 CD LYS A 153 3.360 -1.078 19.417 1.00 0.00 C ATOM 863 CE LYS A 153 4.427 -0.260 18.685 1.00 0.00 C ATOM 864 NZ LYS A 153 4.999 -1.072 17.573 1.00 0.00 N ATOM 0 H LYS A 153 0.283 -1.864 16.422 1.00 0.00 H new ATOM 0 HA LYS A 153 2.594 -3.111 17.834 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.044 -1.695 18.750 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.159 -2.464 19.863 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.069 -0.368 17.834 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.524 0.065 19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.393 -0.865 20.486 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.558 -2.143 19.298 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.991 0.658 18.292 1.00 0.00 H new ATOM 0 HE3 LYS A 153 5.215 0.033 19.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.724 -0.517 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.430 -1.936 17.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.243 -1.330 16.907 1.00 0.00 H new ATOM 878 N ILE A 154 -0.509 -4.274 17.931 1.00 0.00 N ATOM 879 CA ILE A 154 -1.285 -5.534 18.122 1.00 0.00 C ATOM 880 C ILE A 154 -1.213 -6.379 16.846 1.00 0.00 C ATOM 881 O ILE A 154 -0.710 -7.488 16.857 1.00 0.00 O ATOM 882 CB ILE A 154 -2.746 -5.184 18.439 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.797 -4.303 19.693 1.00 0.00 C ATOM 884 CG2 ILE A 154 -3.544 -6.467 18.691 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.845 -2.829 19.287 1.00 0.00 C ATOM 0 H ILE A 154 -1.074 -3.442 17.762 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.863 -6.105 18.949 1.00 0.00 H new ATOM 0 HB ILE A 154 -3.179 -4.649 17.594 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.674 -4.554 20.290 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.923 -4.490 20.316 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.580 -6.213 18.915 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.509 -7.097 17.803 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.111 -7.005 19.535 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.881 -2.206 20.181 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.955 -2.582 18.708 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.733 -2.647 18.682 1.00 0.00 H new ATOM 897 N HIS A 155 -1.714 -5.866 15.752 1.00 0.00 N ATOM 898 CA HIS A 155 -1.681 -6.638 14.474 1.00 0.00 C ATOM 899 C HIS A 155 -0.273 -6.597 13.854 1.00 0.00 C ATOM 900 O HIS A 155 -0.026 -7.231 12.848 1.00 0.00 O ATOM 901 CB HIS A 155 -2.686 -6.035 13.492 1.00 0.00 C ATOM 902 CG HIS A 155 -4.048 -5.992 14.133 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.845 -7.119 14.248 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.763 -4.966 14.699 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.984 -6.749 14.863 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.986 -5.446 15.159 1.00 0.00 N ATOM 0 H HIS A 155 -2.145 -4.944 15.689 1.00 0.00 H new ATOM 0 HA HIS A 155 -1.941 -7.675 14.683 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.374 -5.030 13.207 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -2.720 -6.629 12.579 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.612 -8.058 13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.428 -3.942 14.776 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.797 -7.423 15.089 1.00 0.00 H new ATOM 914 N SER A 156 0.647 -5.864 14.442 1.00 0.00 N ATOM 915 CA SER A 156 2.034 -5.787 13.887 1.00 0.00 C ATOM 916 C SER A 156 1.999 -5.183 12.476 1.00 0.00 C ATOM 917 O SER A 156 0.995 -5.240 11.790 1.00 0.00 O ATOM 918 CB SER A 156 2.660 -7.192 13.853 1.00 0.00 C ATOM 919 OG SER A 156 2.351 -7.844 12.626 1.00 0.00 O ATOM 0 H SER A 156 0.493 -5.314 15.287 1.00 0.00 H new ATOM 0 HA SER A 156 2.643 -5.147 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.741 -7.118 13.971 1.00 0.00 H new ATOM 0 HB3 SER A 156 2.288 -7.783 14.690 1.00 0.00 H new ATOM 0 HG SER A 156 1.387 -8.012 12.579 1.00 0.00 H new ATOM 925 N GLY A 157 3.092 -4.606 12.045 1.00 0.00 N ATOM 926 CA GLY A 157 3.137 -3.995 10.684 1.00 0.00 C ATOM 927 C GLY A 157 4.504 -4.258 10.050 1.00 0.00 C ATOM 928 O GLY A 157 5.309 -3.360 9.897 1.00 0.00 O ATOM 0 H GLY A 157 3.957 -4.532 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 157 2.348 -4.414 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 157 2.955 -2.922 10.749 1.00 0.00 H new ATOM 932 N ASN A 158 4.769 -5.488 9.680 1.00 0.00 N ATOM 933 CA ASN A 158 6.084 -5.829 9.054 1.00 0.00 C ATOM 934 C ASN A 158 7.219 -5.511 10.031 1.00 0.00 C ATOM 935 O ASN A 158 7.043 -4.772 10.981 1.00 0.00 O ATOM 936 CB ASN A 158 6.272 -5.015 7.768 1.00 0.00 C ATOM 937 CG ASN A 158 5.830 -5.850 6.564 1.00 0.00 C ATOM 938 OD1 ASN A 158 6.600 -6.626 6.033 1.00 0.00 O ATOM 939 ND2 ASN A 158 4.614 -5.723 6.107 1.00 0.00 N ATOM 0 H ASN A 158 4.127 -6.274 9.786 1.00 0.00 H new ATOM 0 HA ASN A 158 6.101 -6.892 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 158 5.689 -4.095 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 158 7.317 -4.725 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 158 4.310 -6.275 5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 158 3.967 -5.072 6.552 1.00 0.00 H new ATOM 946 N LEU A 159 8.384 -6.067 9.803 1.00 0.00 N ATOM 947 CA LEU A 159 9.543 -5.805 10.711 1.00 0.00 C ATOM 948 C LEU A 159 9.195 -6.246 12.138 1.00 0.00 C ATOM 949 O LEU A 159 9.706 -5.708 13.102 1.00 0.00 O ATOM 950 CB LEU A 159 9.873 -4.311 10.706 1.00 0.00 C ATOM 951 CG LEU A 159 11.371 -4.117 10.940 1.00 0.00 C ATOM 952 CD1 LEU A 159 12.138 -4.470 9.665 1.00 0.00 C ATOM 953 CD2 LEU A 159 11.643 -2.656 11.309 1.00 0.00 C ATOM 0 H LEU A 159 8.582 -6.694 9.023 1.00 0.00 H new ATOM 0 HA LEU A 159 10.407 -6.369 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 159 9.583 -3.867 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 159 9.304 -3.800 11.483 1.00 0.00 H new ATOM 0 HG LEU A 159 11.699 -4.766 11.752 1.00 0.00 H new ATOM 0 HD11 LEU A 159 13.206 -4.331 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 159 11.944 -5.509 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 159 11.811 -3.821 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 159 12.711 -2.516 11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 159 11.315 -2.008 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 159 11.097 -2.403 12.218 1.00 0.00 H new ATOM 965 N GLY A 160 8.330 -7.219 12.274 1.00 0.00 N ATOM 966 CA GLY A 160 7.944 -7.700 13.633 1.00 0.00 C ATOM 967 C GLY A 160 7.971 -9.229 13.660 1.00 0.00 C ATOM 968 O GLY A 160 9.024 -9.838 13.713 1.00 0.00 O ATOM 0 H GLY A 160 7.874 -7.702 11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.630 -7.300 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 160 6.948 -7.339 13.889 1.00 0.00 H new ATOM 972 N GLU A 161 6.821 -9.852 13.623 1.00 0.00 N ATOM 973 CA GLU A 161 6.769 -11.343 13.644 1.00 0.00 C ATOM 974 C GLU A 161 7.444 -11.894 12.386 1.00 0.00 C ATOM 975 O GLU A 161 7.793 -13.062 12.388 1.00 0.00 O ATOM 976 CB GLU A 161 5.310 -11.803 13.684 1.00 0.00 C ATOM 977 CG GLU A 161 4.796 -11.748 15.124 1.00 0.00 C ATOM 978 CD GLU A 161 4.985 -13.114 15.786 1.00 0.00 C ATOM 979 OE1 GLU A 161 4.277 -14.035 15.413 1.00 0.00 O ATOM 980 OE2 GLU A 161 5.835 -13.216 16.656 1.00 0.00 O ATOM 981 OXT GLU A 161 7.600 -11.137 11.442 1.00 0.00 O ATOM 0 H GLU A 161 5.913 -9.389 13.579 1.00 0.00 H new ATOM 0 HA GLU A 161 7.290 -11.712 14.527 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.699 -11.166 13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 161 5.227 -12.818 13.296 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.334 -10.983 15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 161 3.742 -11.469 15.135 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.456 -4.107 15.562 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -27.818 12.950 21.568 1.00 0.00 ZN