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 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 3:sc= 0.43 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.073) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -2.84 K(o=-2.8,f=-8.6!) USER MOD Single : A 130 LYS NZ :NH3+ -161:sc=-0.00565 (180deg=-0.505) 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= 0.0592 USER MOD Single : A 152 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.6!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -43.610 12.510 27.583 1.00 0.00 N ATOM 2 CA ARG A 102 -42.496 12.754 26.620 1.00 0.00 C ATOM 3 C ARG A 102 -41.161 12.763 27.367 1.00 0.00 C ATOM 4 O ARG A 102 -40.694 13.802 27.797 1.00 0.00 O ATOM 5 CB ARG A 102 -42.702 14.113 25.938 1.00 0.00 C ATOM 6 CG ARG A 102 -42.940 15.201 26.998 1.00 0.00 C ATOM 7 CD ARG A 102 -41.973 16.367 26.774 1.00 0.00 C ATOM 8 NE ARG A 102 -42.641 17.646 27.151 1.00 0.00 N ATOM 9 CZ ARG A 102 -43.071 18.455 26.224 1.00 0.00 C ATOM 10 NH1 ARG A 102 -42.231 18.983 25.375 1.00 0.00 N ATOM 11 NH2 ARG A 102 -44.343 18.738 26.143 1.00 0.00 N ATOM 0 HA ARG A 102 -42.487 11.962 25.871 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -41.828 14.364 25.337 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -43.553 14.063 25.258 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -43.969 15.555 26.943 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -42.798 14.786 27.996 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -41.072 16.226 27.370 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -41.662 16.400 25.730 1.00 0.00 H new ATOM 0 HE ARG A 102 -42.761 17.888 28.135 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -41.237 18.762 25.437 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -42.569 19.616 24.650 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -45.000 18.326 26.805 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -44.679 19.371 25.418 1.00 0.00 H new ATOM 25 N SER A 103 -40.540 11.617 27.526 1.00 0.00 N ATOM 26 CA SER A 103 -39.233 11.572 28.246 1.00 0.00 C ATOM 27 C SER A 103 -38.472 10.291 27.903 1.00 0.00 C ATOM 28 O SER A 103 -38.870 9.197 28.259 1.00 0.00 O ATOM 29 CB SER A 103 -39.476 11.636 29.752 1.00 0.00 C ATOM 30 OG SER A 103 -38.288 11.268 30.442 1.00 0.00 O ATOM 0 H SER A 103 -40.882 10.717 27.189 1.00 0.00 H new ATOM 0 HA SER A 103 -38.633 12.427 27.934 1.00 0.00 H new ATOM 0 HB2 SER A 103 -39.779 12.643 30.039 1.00 0.00 H new ATOM 0 HB3 SER A 103 -40.291 10.967 30.028 1.00 0.00 H new ATOM 0 HG SER A 103 -38.444 11.311 31.408 1.00 0.00 H new ATOM 36 N PHE A 104 -37.359 10.439 27.242 1.00 0.00 N ATOM 37 CA PHE A 104 -36.513 9.269 26.885 1.00 0.00 C ATOM 38 C PHE A 104 -35.111 9.545 27.423 1.00 0.00 C ATOM 39 O PHE A 104 -34.129 9.525 26.707 1.00 0.00 O ATOM 40 CB PHE A 104 -36.457 9.106 25.369 1.00 0.00 C ATOM 41 CG PHE A 104 -37.658 8.328 24.891 1.00 0.00 C ATOM 42 CD1 PHE A 104 -38.909 8.951 24.820 1.00 0.00 C ATOM 43 CD2 PHE A 104 -37.520 6.987 24.513 1.00 0.00 C ATOM 44 CE1 PHE A 104 -40.024 8.232 24.371 1.00 0.00 C ATOM 45 CE2 PHE A 104 -38.634 6.268 24.065 1.00 0.00 C ATOM 46 CZ PHE A 104 -39.886 6.890 23.993 1.00 0.00 C ATOM 0 H PHE A 104 -36.994 11.338 26.929 1.00 0.00 H new ATOM 0 HA PHE A 104 -36.924 8.354 27.312 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -36.433 10.085 24.890 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -35.541 8.589 25.084 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -39.015 9.986 25.111 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -36.554 6.507 24.567 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -40.990 8.712 24.316 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -38.528 5.233 23.775 1.00 0.00 H new ATOM 0 HZ PHE A 104 -40.745 6.335 23.646 1.00 0.00 H new ATOM 56 N VAL A 105 -35.032 9.833 28.692 1.00 0.00 N ATOM 57 CA VAL A 105 -33.724 10.156 29.345 1.00 0.00 C ATOM 58 C VAL A 105 -32.642 9.135 28.958 1.00 0.00 C ATOM 59 O VAL A 105 -32.805 7.941 29.116 1.00 0.00 O ATOM 60 CB VAL A 105 -33.935 10.171 30.867 1.00 0.00 C ATOM 61 CG1 VAL A 105 -34.532 8.837 31.312 1.00 0.00 C ATOM 62 CG2 VAL A 105 -32.603 10.405 31.595 1.00 0.00 C ATOM 0 H VAL A 105 -35.835 9.860 29.321 1.00 0.00 H new ATOM 0 HA VAL A 105 -33.379 11.133 29.005 1.00 0.00 H new ATOM 0 HB VAL A 105 -34.617 10.983 31.117 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -34.682 8.847 32.392 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -35.489 8.683 30.814 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -33.851 8.028 31.048 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -32.773 10.412 32.672 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -31.906 9.606 31.343 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -32.184 11.363 31.287 1.00 0.00 H new ATOM 72 N CYS A 106 -31.542 9.623 28.451 1.00 0.00 N ATOM 73 CA CYS A 106 -30.424 8.722 28.041 1.00 0.00 C ATOM 74 C CYS A 106 -29.778 8.113 29.290 1.00 0.00 C ATOM 75 O CYS A 106 -29.823 8.684 30.362 1.00 0.00 O ATOM 76 CB CYS A 106 -29.383 9.535 27.266 1.00 0.00 C ATOM 77 SG CYS A 106 -28.111 8.429 26.605 1.00 0.00 S ATOM 0 H CYS A 106 -31.368 10.617 28.302 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.807 7.922 27.407 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -29.864 10.078 26.453 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -28.928 10.278 27.920 1.00 0.00 H new ATOM 82 N GLU A 107 -29.182 6.955 29.154 1.00 0.00 N ATOM 83 CA GLU A 107 -28.534 6.294 30.327 1.00 0.00 C ATOM 84 C GLU A 107 -27.057 6.701 30.430 1.00 0.00 C ATOM 85 O GLU A 107 -26.267 6.007 31.042 1.00 0.00 O ATOM 86 CB GLU A 107 -28.627 4.774 30.164 1.00 0.00 C ATOM 87 CG GLU A 107 -30.093 4.362 29.985 1.00 0.00 C ATOM 88 CD GLU A 107 -30.640 3.814 31.305 1.00 0.00 C ATOM 89 OE1 GLU A 107 -30.529 4.506 32.304 1.00 0.00 O ATOM 90 OE2 GLU A 107 -31.161 2.710 31.295 1.00 0.00 O ATOM 0 H GLU A 107 -29.116 6.437 28.278 1.00 0.00 H new ATOM 0 HA GLU A 107 -29.049 6.608 31.235 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -28.042 4.455 29.302 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -28.204 4.278 31.038 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -30.685 5.219 29.663 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -30.176 3.606 29.204 1.00 0.00 H new ATOM 97 N VAL A 108 -26.675 7.808 29.840 1.00 0.00 N ATOM 98 CA VAL A 108 -25.247 8.239 29.912 1.00 0.00 C ATOM 99 C VAL A 108 -25.164 9.683 30.409 1.00 0.00 C ATOM 100 O VAL A 108 -24.393 9.999 31.296 1.00 0.00 O ATOM 101 CB VAL A 108 -24.609 8.137 28.524 1.00 0.00 C ATOM 102 CG1 VAL A 108 -23.109 8.424 28.625 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.820 6.726 27.970 1.00 0.00 C ATOM 0 H VAL A 108 -27.290 8.429 29.314 1.00 0.00 H new ATOM 0 HA VAL A 108 -24.712 7.590 30.606 1.00 0.00 H new ATOM 0 HB VAL A 108 -25.073 8.865 27.858 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -22.657 8.351 27.636 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -22.957 9.428 29.020 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.644 7.698 29.291 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.366 6.652 26.982 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -24.356 6.000 28.638 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.888 6.520 27.895 1.00 0.00 H new ATOM 113 N CYS A 109 -25.954 10.558 29.845 1.00 0.00 N ATOM 114 CA CYS A 109 -25.928 11.987 30.283 1.00 0.00 C ATOM 115 C CYS A 109 -27.188 12.323 31.099 1.00 0.00 C ATOM 116 O CYS A 109 -27.383 13.455 31.497 1.00 0.00 O ATOM 117 CB CYS A 109 -25.847 12.903 29.057 1.00 0.00 C ATOM 118 SG CYS A 109 -27.210 12.535 27.922 1.00 0.00 S ATOM 0 H CYS A 109 -26.617 10.346 29.099 1.00 0.00 H new ATOM 0 HA CYS A 109 -25.052 12.143 30.912 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -25.893 13.947 29.368 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -24.892 12.763 28.550 1.00 0.00 H new ATOM 123 N THR A 110 -28.041 11.353 31.359 1.00 0.00 N ATOM 124 CA THR A 110 -29.285 11.611 32.163 1.00 0.00 C ATOM 125 C THR A 110 -30.045 12.835 31.623 1.00 0.00 C ATOM 126 O THR A 110 -30.451 13.705 32.373 1.00 0.00 O ATOM 127 CB THR A 110 -28.915 11.843 33.635 1.00 0.00 C ATOM 128 OG1 THR A 110 -28.269 13.100 33.773 1.00 0.00 O ATOM 129 CG2 THR A 110 -27.981 10.731 34.118 1.00 0.00 C ATOM 0 H THR A 110 -27.927 10.389 31.047 1.00 0.00 H new ATOM 0 HA THR A 110 -29.932 10.738 32.081 1.00 0.00 H new ATOM 0 HB THR A 110 -29.824 11.835 34.237 1.00 0.00 H new ATOM 0 HG1 THR A 110 -28.250 13.555 32.905 1.00 0.00 H new ATOM 0 HG21 THR A 110 -27.722 10.901 35.163 1.00 0.00 H new ATOM 0 HG22 THR A 110 -28.481 9.768 34.021 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.073 10.731 33.515 1.00 0.00 H new ATOM 137 N ARG A 111 -30.247 12.903 30.330 1.00 0.00 N ATOM 138 CA ARG A 111 -30.985 14.060 29.744 1.00 0.00 C ATOM 139 C ARG A 111 -32.478 13.723 29.694 1.00 0.00 C ATOM 140 O ARG A 111 -32.939 12.838 30.389 1.00 0.00 O ATOM 141 CB ARG A 111 -30.463 14.332 28.327 1.00 0.00 C ATOM 142 CG ARG A 111 -30.345 15.843 28.099 1.00 0.00 C ATOM 143 CD ARG A 111 -28.887 16.278 28.269 1.00 0.00 C ATOM 144 NE ARG A 111 -28.414 15.911 29.635 1.00 0.00 N ATOM 145 CZ ARG A 111 -27.572 16.686 30.263 1.00 0.00 C ATOM 146 NH1 ARG A 111 -26.438 17.009 29.701 1.00 0.00 N ATOM 147 NH2 ARG A 111 -27.863 17.136 31.453 1.00 0.00 N ATOM 0 H ARG A 111 -29.932 12.205 29.656 1.00 0.00 H new ATOM 0 HA ARG A 111 -30.833 14.949 30.356 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.491 13.857 28.190 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -31.138 13.895 27.591 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -30.697 16.098 27.099 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -30.979 16.378 28.806 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.263 15.798 27.515 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -28.798 17.354 28.119 1.00 0.00 H new ATOM 0 HE ARG A 111 -28.748 15.055 30.078 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -26.211 16.656 28.772 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -25.780 17.615 30.192 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -28.748 16.882 31.892 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -27.205 17.742 31.944 1.00 0.00 H new ATOM 161 N ALA A 112 -33.234 14.414 28.877 1.00 0.00 N ATOM 162 CA ALA A 112 -34.693 14.122 28.783 1.00 0.00 C ATOM 163 C ALA A 112 -35.195 14.462 27.379 1.00 0.00 C ATOM 164 O ALA A 112 -35.562 15.586 27.095 1.00 0.00 O ATOM 165 CB ALA A 112 -35.455 14.954 29.814 1.00 0.00 C ATOM 0 H ALA A 112 -32.902 15.166 28.273 1.00 0.00 H new ATOM 0 HA ALA A 112 -34.860 13.063 28.981 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -36.521 14.737 29.741 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -35.102 14.706 30.815 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -35.287 16.014 29.622 1.00 0.00 H new ATOM 171 N PHE A 113 -35.218 13.493 26.503 1.00 0.00 N ATOM 172 CA PHE A 113 -35.700 13.737 25.112 1.00 0.00 C ATOM 173 C PHE A 113 -37.155 13.267 25.004 1.00 0.00 C ATOM 174 O PHE A 113 -37.836 13.133 26.001 1.00 0.00 O ATOM 175 CB PHE A 113 -34.817 12.957 24.131 1.00 0.00 C ATOM 176 CG PHE A 113 -33.376 13.354 24.341 1.00 0.00 C ATOM 177 CD1 PHE A 113 -32.920 14.596 23.883 1.00 0.00 C ATOM 178 CD2 PHE A 113 -32.496 12.484 24.995 1.00 0.00 C ATOM 179 CE1 PHE A 113 -31.586 14.969 24.082 1.00 0.00 C ATOM 180 CE2 PHE A 113 -31.161 12.856 25.193 1.00 0.00 C ATOM 181 CZ PHE A 113 -30.706 14.099 24.736 1.00 0.00 C ATOM 0 H PHE A 113 -34.921 12.536 26.693 1.00 0.00 H new ATOM 0 HA PHE A 113 -35.645 14.799 24.871 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -34.938 11.885 24.287 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -35.119 13.166 23.105 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -33.598 15.266 23.376 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -32.847 11.525 25.347 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -31.235 15.928 23.731 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -30.482 12.185 25.698 1.00 0.00 H new ATOM 0 HZ PHE A 113 -29.676 14.386 24.888 1.00 0.00 H new ATOM 191 N ALA A 114 -37.639 13.024 23.812 1.00 0.00 N ATOM 192 CA ALA A 114 -39.053 12.561 23.665 1.00 0.00 C ATOM 193 C ALA A 114 -39.259 11.903 22.298 1.00 0.00 C ATOM 194 O ALA A 114 -40.359 11.877 21.777 1.00 0.00 O ATOM 195 CB ALA A 114 -39.991 13.757 23.806 1.00 0.00 C ATOM 0 H ALA A 114 -37.120 13.125 22.940 1.00 0.00 H new ATOM 0 HA ALA A 114 -39.270 11.827 24.441 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -41.023 13.424 23.699 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -39.856 14.212 24.787 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -39.764 14.490 23.032 1.00 0.00 H new ATOM 201 N ARG A 115 -38.216 11.370 21.717 1.00 0.00 N ATOM 202 CA ARG A 115 -38.348 10.709 20.386 1.00 0.00 C ATOM 203 C ARG A 115 -37.305 9.597 20.266 1.00 0.00 C ATOM 204 O ARG A 115 -36.160 9.769 20.639 1.00 0.00 O ATOM 205 CB ARG A 115 -38.118 11.740 19.275 1.00 0.00 C ATOM 206 CG ARG A 115 -39.318 12.686 19.186 1.00 0.00 C ATOM 207 CD ARG A 115 -40.563 11.902 18.766 1.00 0.00 C ATOM 208 NE ARG A 115 -41.527 12.822 18.100 1.00 0.00 N ATOM 209 CZ ARG A 115 -42.693 12.381 17.718 1.00 0.00 C ATOM 210 NH1 ARG A 115 -43.680 12.320 18.571 1.00 0.00 N ATOM 211 NH2 ARG A 115 -42.875 12.000 16.483 1.00 0.00 N ATOM 0 H ARG A 115 -37.275 11.364 22.109 1.00 0.00 H new ATOM 0 HA ARG A 115 -39.348 10.287 20.289 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -37.210 12.308 19.477 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -37.972 11.233 18.321 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -39.487 13.166 20.150 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -39.116 13.479 18.466 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -40.286 11.095 18.088 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -41.027 11.441 19.638 1.00 0.00 H new ATOM 0 HE ARG A 115 -41.275 13.798 17.943 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -43.539 12.617 19.536 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -44.592 11.975 18.272 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -42.105 12.047 15.816 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -43.787 11.655 16.185 1.00 0.00 H new ATOM 225 N GLN A 116 -37.691 8.460 19.746 1.00 0.00 N ATOM 226 CA GLN A 116 -36.724 7.333 19.596 1.00 0.00 C ATOM 227 C GLN A 116 -35.817 7.600 18.392 1.00 0.00 C ATOM 228 O GLN A 116 -34.674 7.181 18.361 1.00 0.00 O ATOM 229 CB GLN A 116 -37.492 6.027 19.376 1.00 0.00 C ATOM 230 CG GLN A 116 -36.517 4.848 19.418 1.00 0.00 C ATOM 231 CD GLN A 116 -37.224 3.622 19.996 1.00 0.00 C ATOM 232 OE1 GLN A 116 -37.579 2.712 19.271 1.00 0.00 O ATOM 233 NE2 GLN A 116 -37.445 3.555 21.280 1.00 0.00 N ATOM 0 H GLN A 116 -38.637 8.264 19.418 1.00 0.00 H new ATOM 0 HA GLN A 116 -36.118 7.250 20.498 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -38.256 5.908 20.144 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -38.007 6.053 18.416 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -36.150 4.630 18.415 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -35.649 5.101 20.027 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -37.148 4.317 21.889 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -37.915 2.740 21.675 1.00 0.00 H new ATOM 242 N GLU A 117 -36.318 8.294 17.402 1.00 0.00 N ATOM 243 CA GLU A 117 -35.493 8.595 16.196 1.00 0.00 C ATOM 244 C GLU A 117 -34.465 9.678 16.536 1.00 0.00 C ATOM 245 O GLU A 117 -33.341 9.644 16.074 1.00 0.00 O ATOM 246 CB GLU A 117 -36.403 9.091 15.068 1.00 0.00 C ATOM 247 CG GLU A 117 -35.583 9.280 13.790 1.00 0.00 C ATOM 248 CD GLU A 117 -35.383 7.927 13.105 1.00 0.00 C ATOM 249 OE1 GLU A 117 -36.365 7.366 12.647 1.00 0.00 O ATOM 250 OE2 GLU A 117 -34.251 7.475 13.049 1.00 0.00 O ATOM 0 H GLU A 117 -37.267 8.666 17.378 1.00 0.00 H new ATOM 0 HA GLU A 117 -34.974 7.691 15.876 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -37.206 8.375 14.894 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -36.872 10.033 15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -36.094 9.968 13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -34.617 9.725 14.028 1.00 0.00 H new ATOM 257 N HIS A 118 -34.847 10.638 17.340 1.00 0.00 N ATOM 258 CA HIS A 118 -33.900 11.730 17.715 1.00 0.00 C ATOM 259 C HIS A 118 -32.817 11.174 18.642 1.00 0.00 C ATOM 260 O HIS A 118 -31.641 11.421 18.453 1.00 0.00 O ATOM 261 CB HIS A 118 -34.665 12.840 18.439 1.00 0.00 C ATOM 262 CG HIS A 118 -35.566 13.548 17.466 1.00 0.00 C ATOM 263 ND1 HIS A 118 -35.906 14.884 17.612 1.00 0.00 N ATOM 264 CD2 HIS A 118 -36.205 13.121 16.328 1.00 0.00 C ATOM 265 CE1 HIS A 118 -36.716 15.210 16.588 1.00 0.00 C ATOM 266 NE2 HIS A 118 -36.931 14.172 15.776 1.00 0.00 N ATOM 0 H HIS A 118 -35.776 10.712 17.753 1.00 0.00 H new ATOM 0 HA HIS A 118 -33.436 12.132 16.814 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -35.253 12.418 19.254 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -33.965 13.548 18.884 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -36.152 12.121 15.923 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -37.141 16.192 16.441 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -37.504 14.153 14.932 1.00 0.00 H new ATOM 274 N LEU A 119 -33.209 10.430 19.644 1.00 0.00 N ATOM 275 CA LEU A 119 -32.220 9.857 20.594 1.00 0.00 C ATOM 276 C LEU A 119 -31.274 8.909 19.855 1.00 0.00 C ATOM 277 O LEU A 119 -30.148 8.703 20.267 1.00 0.00 O ATOM 278 CB LEU A 119 -32.961 9.081 21.687 1.00 0.00 C ATOM 279 CG LEU A 119 -32.243 9.260 23.027 1.00 0.00 C ATOM 280 CD1 LEU A 119 -33.000 8.495 24.109 1.00 0.00 C ATOM 281 CD2 LEU A 119 -30.820 8.712 22.929 1.00 0.00 C ATOM 0 H LEU A 119 -34.181 10.195 19.843 1.00 0.00 H new ATOM 0 HA LEU A 119 -31.641 10.666 21.040 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -33.989 9.436 21.764 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -33.007 8.023 21.427 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.206 10.320 23.277 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -32.492 8.620 25.065 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -34.016 8.882 24.185 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -33.033 7.437 23.851 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -30.313 8.842 23.885 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -30.855 7.652 22.678 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.275 9.251 22.154 1.00 0.00 H new ATOM 293 N LYS A 120 -31.721 8.323 18.770 1.00 0.00 N ATOM 294 CA LYS A 120 -30.850 7.378 18.003 1.00 0.00 C ATOM 295 C LYS A 120 -29.531 8.066 17.631 1.00 0.00 C ATOM 296 O LYS A 120 -28.479 7.455 17.640 1.00 0.00 O ATOM 297 CB LYS A 120 -31.572 6.941 16.728 1.00 0.00 C ATOM 298 CG LYS A 120 -32.334 5.638 16.991 1.00 0.00 C ATOM 299 CD LYS A 120 -31.362 4.451 16.953 1.00 0.00 C ATOM 300 CE LYS A 120 -31.065 3.972 18.378 1.00 0.00 C ATOM 301 NZ LYS A 120 -31.802 2.703 18.639 1.00 0.00 N ATOM 0 H LYS A 120 -32.654 8.459 18.382 1.00 0.00 H new ATOM 0 HA LYS A 120 -30.637 6.506 18.622 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -32.263 7.719 16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -30.853 6.797 15.922 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -32.828 5.684 17.961 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -33.115 5.505 16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -31.791 3.637 16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -30.436 4.744 16.458 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -29.994 3.816 18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -31.363 4.733 19.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -31.601 2.377 19.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -32.824 2.867 18.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -31.496 1.978 17.959 1.00 0.00 H new ATOM 315 N ARG A 121 -29.584 9.335 17.316 1.00 0.00 N ATOM 316 CA ARG A 121 -28.341 10.075 16.954 1.00 0.00 C ATOM 317 C ARG A 121 -27.655 10.550 18.237 1.00 0.00 C ATOM 318 O ARG A 121 -26.442 10.573 18.334 1.00 0.00 O ATOM 319 CB ARG A 121 -28.704 11.284 16.078 1.00 0.00 C ATOM 320 CG ARG A 121 -27.769 11.348 14.865 1.00 0.00 C ATOM 321 CD ARG A 121 -28.548 11.810 13.628 1.00 0.00 C ATOM 322 NE ARG A 121 -28.064 13.157 13.213 1.00 0.00 N ATOM 323 CZ ARG A 121 -27.049 13.261 12.399 1.00 0.00 C ATOM 324 NH1 ARG A 121 -27.062 12.637 11.254 1.00 0.00 N ATOM 325 NH2 ARG A 121 -26.018 13.991 12.732 1.00 0.00 N ATOM 0 H ARG A 121 -30.439 9.891 17.294 1.00 0.00 H new ATOM 0 HA ARG A 121 -27.666 9.423 16.399 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -29.739 11.206 15.746 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -28.624 12.203 16.659 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -26.947 12.035 15.065 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -27.328 10.368 14.683 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -28.416 11.097 12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -29.615 11.847 13.849 1.00 0.00 H new ATOM 0 HE ARG A 121 -28.525 13.996 13.564 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -27.866 12.066 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.268 12.719 10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.007 14.479 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.224 14.073 12.096 1.00 0.00 H new ATOM 339 N HIS A 122 -28.429 10.923 19.223 1.00 0.00 N ATOM 340 CA HIS A 122 -27.845 11.394 20.513 1.00 0.00 C ATOM 341 C HIS A 122 -27.051 10.247 21.170 1.00 0.00 C ATOM 342 O HIS A 122 -26.243 10.480 22.050 1.00 0.00 O ATOM 343 CB HIS A 122 -28.990 11.860 21.435 1.00 0.00 C ATOM 344 CG HIS A 122 -28.481 12.129 22.832 1.00 0.00 C ATOM 345 ND1 HIS A 122 -27.845 13.311 23.176 1.00 0.00 N ATOM 346 CD2 HIS A 122 -28.504 11.368 23.974 1.00 0.00 C ATOM 347 CE1 HIS A 122 -27.512 13.227 24.479 1.00 0.00 C ATOM 348 NE2 HIS A 122 -27.891 12.063 25.012 1.00 0.00 N ATOM 0 H HIS A 122 -29.448 10.921 19.189 1.00 0.00 H new ATOM 0 HA HIS A 122 -27.164 12.227 20.338 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -29.445 12.764 21.029 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -29.769 11.098 21.468 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -27.662 14.100 22.556 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -28.933 10.380 24.055 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -27.001 14.006 25.025 1.00 0.00 H new ATOM 356 N TYR A 123 -27.271 9.021 20.757 1.00 0.00 N ATOM 357 CA TYR A 123 -26.525 7.880 21.367 1.00 0.00 C ATOM 358 C TYR A 123 -25.314 7.530 20.496 1.00 0.00 C ATOM 359 O TYR A 123 -24.925 6.382 20.393 1.00 0.00 O ATOM 360 CB TYR A 123 -27.452 6.663 21.475 1.00 0.00 C ATOM 361 CG TYR A 123 -27.190 5.937 22.775 1.00 0.00 C ATOM 362 CD1 TYR A 123 -26.068 5.109 22.902 1.00 0.00 C ATOM 363 CD2 TYR A 123 -28.070 6.093 23.853 1.00 0.00 C ATOM 364 CE1 TYR A 123 -25.824 4.439 24.108 1.00 0.00 C ATOM 365 CE2 TYR A 123 -27.827 5.422 25.058 1.00 0.00 C ATOM 366 CZ TYR A 123 -26.704 4.596 25.185 1.00 0.00 C ATOM 367 OH TYR A 123 -26.464 3.935 26.373 1.00 0.00 O ATOM 0 H TYR A 123 -27.934 8.764 20.025 1.00 0.00 H new ATOM 0 HA TYR A 123 -26.181 8.163 22.362 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -28.493 6.982 21.429 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -27.286 5.992 20.632 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -25.390 4.987 22.070 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -28.936 6.731 23.755 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -24.958 3.802 24.207 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -28.506 5.542 25.889 1.00 0.00 H new ATOM 0 HH TYR A 123 -27.169 4.154 27.017 1.00 0.00 H new ATOM 377 N ARG A 124 -24.718 8.513 19.871 1.00 0.00 N ATOM 378 CA ARG A 124 -23.531 8.250 19.007 1.00 0.00 C ATOM 379 C ARG A 124 -22.295 8.912 19.621 1.00 0.00 C ATOM 380 O ARG A 124 -21.188 8.428 19.480 1.00 0.00 O ATOM 381 CB ARG A 124 -23.779 8.827 17.610 1.00 0.00 C ATOM 382 CG ARG A 124 -22.706 8.315 16.648 1.00 0.00 C ATOM 383 CD ARG A 124 -23.117 8.620 15.204 1.00 0.00 C ATOM 384 NE ARG A 124 -21.937 9.125 14.449 1.00 0.00 N ATOM 385 CZ ARG A 124 -21.865 10.386 14.121 1.00 0.00 C ATOM 386 NH1 ARG A 124 -21.869 11.303 15.049 1.00 0.00 N ATOM 387 NH2 ARG A 124 -21.788 10.731 12.864 1.00 0.00 N ATOM 0 H ARG A 124 -25.005 9.490 19.923 1.00 0.00 H new ATOM 0 HA ARG A 124 -23.367 7.175 18.932 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -24.768 8.537 17.256 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -23.760 9.916 17.646 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -21.749 8.787 16.871 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -22.570 7.241 16.778 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -23.509 7.721 14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -23.916 9.362 15.191 1.00 0.00 H new ATOM 0 HE ARG A 124 -21.186 8.486 14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -21.928 11.034 16.031 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -21.813 12.289 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -21.784 10.015 12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -21.732 11.717 12.608 1.00 0.00 H new ATOM 401 N SER A 125 -22.477 10.018 20.300 1.00 0.00 N ATOM 402 CA SER A 125 -21.320 10.720 20.926 1.00 0.00 C ATOM 403 C SER A 125 -20.983 10.062 22.267 1.00 0.00 C ATOM 404 O SER A 125 -19.846 10.070 22.701 1.00 0.00 O ATOM 405 CB SER A 125 -21.679 12.188 21.156 1.00 0.00 C ATOM 406 OG SER A 125 -22.851 12.265 21.955 1.00 0.00 O ATOM 0 H SER A 125 -23.382 10.465 20.447 1.00 0.00 H new ATOM 0 HA SER A 125 -20.457 10.655 20.264 1.00 0.00 H new ATOM 0 HB2 SER A 125 -20.854 12.703 21.649 1.00 0.00 H new ATOM 0 HB3 SER A 125 -21.842 12.688 20.201 1.00 0.00 H new ATOM 0 HG SER A 125 -23.083 13.205 22.106 1.00 0.00 H new ATOM 412 N HIS A 126 -21.963 9.490 22.925 1.00 0.00 N ATOM 413 CA HIS A 126 -21.706 8.826 24.239 1.00 0.00 C ATOM 414 C HIS A 126 -20.684 7.702 24.055 1.00 0.00 C ATOM 415 O HIS A 126 -19.629 7.705 24.662 1.00 0.00 O ATOM 416 CB HIS A 126 -23.014 8.238 24.777 1.00 0.00 C ATOM 417 CG HIS A 126 -23.924 9.352 25.219 1.00 0.00 C ATOM 418 ND1 HIS A 126 -23.448 10.490 25.851 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.284 9.512 25.131 1.00 0.00 C ATOM 420 CE1 HIS A 126 -24.507 11.278 26.115 1.00 0.00 C ATOM 421 NE2 HIS A 126 -25.651 10.730 25.697 1.00 0.00 N ATOM 0 H HIS A 126 -22.931 9.455 22.607 1.00 0.00 H new ATOM 0 HA HIS A 126 -21.316 9.560 24.945 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -23.501 7.642 24.005 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -22.807 7.570 25.613 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -22.474 10.693 26.075 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -25.966 8.801 24.690 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -24.440 12.238 26.606 1.00 0.00 H new ATOM 429 N THR A 127 -20.988 6.747 23.214 1.00 0.00 N ATOM 430 CA THR A 127 -20.038 5.621 22.974 1.00 0.00 C ATOM 431 C THR A 127 -18.930 6.078 22.017 1.00 0.00 C ATOM 432 O THR A 127 -17.839 5.543 22.022 1.00 0.00 O ATOM 433 CB THR A 127 -20.793 4.441 22.358 1.00 0.00 C ATOM 434 OG1 THR A 127 -19.870 3.415 22.020 1.00 0.00 O ATOM 435 CG2 THR A 127 -21.529 4.902 21.098 1.00 0.00 C ATOM 0 H THR A 127 -21.857 6.699 22.682 1.00 0.00 H new ATOM 0 HA THR A 127 -19.593 5.314 23.920 1.00 0.00 H new ATOM 0 HB THR A 127 -21.516 4.058 23.078 1.00 0.00 H new ATOM 0 HG1 THR A 127 -20.352 2.658 21.627 1.00 0.00 H new ATOM 0 HG21 THR A 127 -22.066 4.060 20.661 1.00 0.00 H new ATOM 0 HG22 THR A 127 -22.238 5.688 21.358 1.00 0.00 H new ATOM 0 HG23 THR A 127 -20.809 5.287 20.376 1.00 0.00 H new ATOM 443 N ASN A 128 -19.206 7.067 21.198 1.00 0.00 N ATOM 444 CA ASN A 128 -18.181 7.574 20.232 1.00 0.00 C ATOM 445 C ASN A 128 -17.823 6.478 19.227 1.00 0.00 C ATOM 446 O ASN A 128 -17.355 5.415 19.589 1.00 0.00 O ATOM 447 CB ASN A 128 -16.916 8.010 20.984 1.00 0.00 C ATOM 448 CG ASN A 128 -17.297 8.969 22.113 1.00 0.00 C ATOM 449 OD1 ASN A 128 -17.884 8.564 23.098 1.00 0.00 O ATOM 450 ND2 ASN A 128 -16.985 10.232 22.013 1.00 0.00 N ATOM 0 H ASN A 128 -20.105 7.547 21.158 1.00 0.00 H new ATOM 0 HA ASN A 128 -18.596 8.431 19.701 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -16.404 7.138 21.391 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -16.222 8.496 20.298 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -17.233 10.879 22.761 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.493 10.572 21.187 1.00 0.00 H new ATOM 457 N GLU A 129 -18.034 6.740 17.963 1.00 0.00 N ATOM 458 CA GLU A 129 -17.707 5.732 16.913 1.00 0.00 C ATOM 459 C GLU A 129 -16.396 6.123 16.223 1.00 0.00 C ATOM 460 O GLU A 129 -15.666 5.279 15.742 1.00 0.00 O ATOM 461 CB GLU A 129 -18.833 5.689 15.878 1.00 0.00 C ATOM 462 CG GLU A 129 -20.030 4.933 16.458 1.00 0.00 C ATOM 463 CD GLU A 129 -21.187 4.966 15.457 1.00 0.00 C ATOM 464 OE1 GLU A 129 -21.606 6.054 15.100 1.00 0.00 O ATOM 465 OE2 GLU A 129 -21.633 3.900 15.064 1.00 0.00 O ATOM 0 H GLU A 129 -18.422 7.616 17.612 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.599 4.750 17.373 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -19.127 6.702 15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.486 5.200 14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.752 3.902 16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -20.338 5.385 17.401 1.00 0.00 H new ATOM 472 N LYS A 130 -16.101 7.401 16.176 1.00 0.00 N ATOM 473 CA LYS A 130 -14.842 7.883 15.526 1.00 0.00 C ATOM 474 C LYS A 130 -14.850 7.527 14.024 1.00 0.00 C ATOM 475 O LYS A 130 -15.421 6.527 13.640 1.00 0.00 O ATOM 476 CB LYS A 130 -13.622 7.243 16.202 1.00 0.00 C ATOM 477 CG LYS A 130 -13.181 8.103 17.395 1.00 0.00 C ATOM 478 CD LYS A 130 -12.943 7.208 18.616 1.00 0.00 C ATOM 479 CE LYS A 130 -12.983 8.056 19.890 1.00 0.00 C ATOM 480 NZ LYS A 130 -13.614 7.271 20.989 1.00 0.00 N ATOM 0 H LYS A 130 -16.687 8.139 16.566 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.785 8.966 15.636 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.867 6.236 16.538 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.805 7.150 15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.269 8.646 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.944 8.848 17.621 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.704 6.429 18.662 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.978 6.708 18.530 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -11.973 8.353 20.174 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.547 8.972 19.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -13.935 7.918 21.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -14.428 6.743 20.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -12.920 6.604 21.382 1.00 0.00 H new ATOM 494 N PRO A 131 -14.222 8.357 13.203 1.00 0.00 N ATOM 495 CA PRO A 131 -14.168 8.121 11.747 1.00 0.00 C ATOM 496 C PRO A 131 -13.074 7.104 11.377 1.00 0.00 C ATOM 497 O PRO A 131 -12.826 6.862 10.210 1.00 0.00 O ATOM 498 CB PRO A 131 -13.828 9.498 11.171 1.00 0.00 C ATOM 499 CG PRO A 131 -13.147 10.295 12.309 1.00 0.00 C ATOM 500 CD PRO A 131 -13.523 9.597 13.628 1.00 0.00 C ATOM 0 HA PRO A 131 -15.100 7.707 11.363 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -13.164 9.406 10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.728 10.007 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -12.065 10.312 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.484 11.332 12.310 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.639 9.370 14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.168 10.227 14.241 1.00 0.00 H new ATOM 508 N TYR A 132 -12.413 6.512 12.346 1.00 0.00 N ATOM 509 CA TYR A 132 -11.338 5.525 12.025 1.00 0.00 C ATOM 510 C TYR A 132 -11.501 4.268 12.904 1.00 0.00 C ATOM 511 O TYR A 132 -10.753 4.080 13.844 1.00 0.00 O ATOM 512 CB TYR A 132 -9.969 6.163 12.284 1.00 0.00 C ATOM 513 CG TYR A 132 -9.851 7.447 11.498 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.745 7.407 10.102 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.844 8.678 12.165 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.633 8.598 9.374 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.731 9.869 11.437 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.626 9.829 10.042 1.00 0.00 C ATOM 519 OH TYR A 132 -9.514 11.003 9.325 1.00 0.00 O ATOM 0 H TYR A 132 -12.573 6.671 13.341 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.413 5.237 10.976 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.846 6.364 13.348 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.175 5.474 11.996 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.750 6.458 9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.926 8.709 13.241 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.552 8.567 8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.725 10.818 11.952 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.527 11.765 9.941 1.00 0.00 H new ATOM 529 N PRO A 133 -12.470 3.429 12.578 1.00 0.00 N ATOM 530 CA PRO A 133 -12.716 2.191 13.340 1.00 0.00 C ATOM 531 C PRO A 133 -11.714 1.105 12.928 1.00 0.00 C ATOM 532 O PRO A 133 -11.301 1.035 11.785 1.00 0.00 O ATOM 533 CB PRO A 133 -14.139 1.794 12.939 1.00 0.00 C ATOM 534 CG PRO A 133 -14.415 2.470 11.574 1.00 0.00 C ATOM 535 CD PRO A 133 -13.408 3.628 11.443 1.00 0.00 C ATOM 0 HA PRO A 133 -12.603 2.322 14.416 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.232 0.711 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.859 2.123 13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.294 1.758 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.439 2.840 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.887 3.596 10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.905 4.596 11.503 1.00 0.00 H new ATOM 543 N CYS A 134 -11.324 0.261 13.850 1.00 0.00 N ATOM 544 CA CYS A 134 -10.351 -0.823 13.517 1.00 0.00 C ATOM 545 C CYS A 134 -11.056 -1.898 12.687 1.00 0.00 C ATOM 546 O CYS A 134 -12.139 -2.339 13.019 1.00 0.00 O ATOM 547 CB CYS A 134 -9.817 -1.447 14.809 1.00 0.00 C ATOM 548 SG CYS A 134 -8.475 -2.599 14.421 1.00 0.00 S ATOM 0 H CYS A 134 -11.638 0.276 14.820 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.521 -0.405 12.947 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.457 -0.667 15.479 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.619 -1.970 15.330 1.00 0.00 H new ATOM 553 N GLY A 135 -10.444 -2.323 11.610 1.00 0.00 N ATOM 554 CA GLY A 135 -11.069 -3.372 10.751 1.00 0.00 C ATOM 555 C GLY A 135 -10.464 -4.735 11.090 1.00 0.00 C ATOM 556 O GLY A 135 -10.348 -5.599 10.242 1.00 0.00 O ATOM 0 H GLY A 135 -9.536 -1.987 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.147 -3.391 10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.905 -3.141 9.699 1.00 0.00 H new ATOM 560 N LEU A 136 -10.075 -4.927 12.324 1.00 0.00 N ATOM 561 CA LEU A 136 -9.471 -6.231 12.731 1.00 0.00 C ATOM 562 C LEU A 136 -10.081 -6.674 14.063 1.00 0.00 C ATOM 563 O LEU A 136 -10.465 -7.816 14.233 1.00 0.00 O ATOM 564 CB LEU A 136 -7.952 -6.074 12.891 1.00 0.00 C ATOM 565 CG LEU A 136 -7.374 -5.299 11.699 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.898 -4.988 11.957 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.501 -6.143 10.429 1.00 0.00 C ATOM 0 H LEU A 136 -10.150 -4.235 13.069 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.674 -6.979 11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.729 -5.548 13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.482 -7.055 12.959 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.925 -4.367 11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.489 -4.438 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.806 -4.385 12.860 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.347 -5.920 12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.090 -5.592 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.951 -7.076 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.552 -6.364 10.242 1.00 0.00 H new ATOM 579 N CYS A 137 -10.171 -5.773 15.007 1.00 0.00 N ATOM 580 CA CYS A 137 -10.755 -6.120 16.338 1.00 0.00 C ATOM 581 C CYS A 137 -12.010 -5.276 16.615 1.00 0.00 C ATOM 582 O CYS A 137 -12.680 -5.464 17.612 1.00 0.00 O ATOM 583 CB CYS A 137 -9.713 -5.850 17.423 1.00 0.00 C ATOM 584 SG CYS A 137 -9.184 -4.117 17.363 1.00 0.00 S ATOM 0 H CYS A 137 -9.863 -4.805 14.913 1.00 0.00 H new ATOM 0 HA CYS A 137 -11.037 -7.173 16.339 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.131 -6.077 18.404 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.853 -6.506 17.284 1.00 0.00 H new ATOM 589 N ASN A 138 -12.320 -4.337 15.750 1.00 0.00 N ATOM 590 CA ASN A 138 -13.520 -3.459 15.954 1.00 0.00 C ATOM 591 C ASN A 138 -13.235 -2.479 17.092 1.00 0.00 C ATOM 592 O ASN A 138 -13.565 -2.725 18.237 1.00 0.00 O ATOM 593 CB ASN A 138 -14.761 -4.299 16.294 1.00 0.00 C ATOM 594 CG ASN A 138 -16.011 -3.612 15.742 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.663 -2.861 16.440 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.375 -3.839 14.510 1.00 0.00 N ATOM 0 H ASN A 138 -11.787 -4.139 14.903 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.718 -2.914 15.031 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.665 -5.298 15.868 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.847 -4.420 17.374 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.207 -3.386 14.132 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.827 -4.469 13.924 1.00 0.00 H new ATOM 603 N ARG A 139 -12.619 -1.368 16.778 1.00 0.00 N ATOM 604 CA ARG A 139 -12.297 -0.356 17.826 1.00 0.00 C ATOM 605 C ARG A 139 -12.613 1.042 17.289 1.00 0.00 C ATOM 606 O ARG A 139 -13.192 1.187 16.228 1.00 0.00 O ATOM 607 CB ARG A 139 -10.811 -0.451 18.179 1.00 0.00 C ATOM 608 CG ARG A 139 -10.623 -1.447 19.326 1.00 0.00 C ATOM 609 CD ARG A 139 -9.165 -1.426 19.788 1.00 0.00 C ATOM 610 NE ARG A 139 -9.101 -1.752 21.240 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.153 -2.994 21.633 1.00 0.00 C ATOM 612 NH1 ARG A 139 -10.273 -3.659 21.550 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.085 -3.573 22.109 1.00 0.00 N ATOM 0 H ARG A 139 -12.324 -1.118 15.834 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.893 -0.544 18.719 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.239 -0.770 17.308 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.431 0.529 18.468 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.282 -1.191 20.156 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.897 -2.450 18.999 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.580 -2.147 19.216 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.728 -0.444 19.605 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.016 -1.003 21.927 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.108 -3.207 21.178 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.313 -4.631 21.858 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.209 -3.054 22.174 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.126 -4.545 22.416 1.00 0.00 H new ATOM 627 N ALA A 140 -12.245 2.069 18.014 1.00 0.00 N ATOM 628 CA ALA A 140 -12.530 3.458 17.547 1.00 0.00 C ATOM 629 C ALA A 140 -11.347 4.371 17.884 1.00 0.00 C ATOM 630 O ALA A 140 -10.826 4.345 18.983 1.00 0.00 O ATOM 631 CB ALA A 140 -13.789 3.973 18.244 1.00 0.00 C ATOM 0 H ALA A 140 -11.760 2.004 18.909 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.682 3.455 16.468 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.002 4.987 17.907 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.631 3.325 18.000 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.633 3.974 19.323 1.00 0.00 H new ATOM 637 N PHE A 141 -10.924 5.180 16.944 1.00 0.00 N ATOM 638 CA PHE A 141 -9.777 6.103 17.198 1.00 0.00 C ATOM 639 C PHE A 141 -10.098 7.485 16.623 1.00 0.00 C ATOM 640 O PHE A 141 -10.621 7.605 15.532 1.00 0.00 O ATOM 641 CB PHE A 141 -8.518 5.554 16.524 1.00 0.00 C ATOM 642 CG PHE A 141 -8.198 4.191 17.086 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.429 4.075 18.251 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.669 3.041 16.442 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.131 2.810 18.771 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.372 1.776 16.962 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.603 1.661 18.126 1.00 0.00 C ATOM 0 H PHE A 141 -11.326 5.240 16.009 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.609 6.183 18.272 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.669 5.488 15.447 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.680 6.232 16.688 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.066 4.962 18.748 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.262 3.130 15.544 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.538 2.721 19.669 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.736 0.889 16.465 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.374 0.685 18.527 1.00 0.00 H new ATOM 657 N THR A 142 -9.790 8.528 17.353 1.00 0.00 N ATOM 658 CA THR A 142 -10.078 9.908 16.857 1.00 0.00 C ATOM 659 C THR A 142 -8.936 10.385 15.957 1.00 0.00 C ATOM 660 O THR A 142 -9.137 11.188 15.065 1.00 0.00 O ATOM 661 CB THR A 142 -10.216 10.864 18.046 1.00 0.00 C ATOM 662 OG1 THR A 142 -9.329 10.467 19.081 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.655 10.837 18.565 1.00 0.00 C ATOM 0 H THR A 142 -9.351 8.483 18.272 1.00 0.00 H new ATOM 0 HA THR A 142 -11.007 9.894 16.288 1.00 0.00 H new ATOM 0 HB THR A 142 -9.968 11.876 17.725 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.417 11.080 19.840 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.750 11.518 19.411 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.334 11.148 17.771 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.908 9.826 18.884 1.00 0.00 H new ATOM 671 N ARG A 143 -7.740 9.906 16.189 1.00 0.00 N ATOM 672 CA ARG A 143 -6.582 10.338 15.352 1.00 0.00 C ATOM 673 C ARG A 143 -6.209 9.226 14.370 1.00 0.00 C ATOM 674 O ARG A 143 -6.222 8.057 14.708 1.00 0.00 O ATOM 675 CB ARG A 143 -5.387 10.643 16.258 1.00 0.00 C ATOM 676 CG ARG A 143 -5.720 11.841 17.151 1.00 0.00 C ATOM 677 CD ARG A 143 -5.019 11.681 18.502 1.00 0.00 C ATOM 678 NE ARG A 143 -5.858 12.295 19.570 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.516 13.443 20.088 1.00 0.00 C ATOM 680 NH1 ARG A 143 -5.361 14.486 19.318 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.331 13.550 21.375 1.00 0.00 N ATOM 0 H ARG A 143 -7.516 9.234 16.923 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.855 11.233 14.793 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.150 9.773 16.871 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.505 10.859 15.655 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.401 12.766 16.671 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.798 11.912 17.295 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.854 10.625 18.716 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.039 12.158 18.475 1.00 0.00 H new ATOM 0 HE ARG A 143 -6.699 11.818 19.896 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.507 14.403 18.312 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.094 15.383 19.723 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -5.454 12.736 21.977 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.064 14.448 21.779 1.00 0.00 H new ATOM 695 N ARG A 144 -5.877 9.586 13.156 1.00 0.00 N ATOM 696 CA ARG A 144 -5.500 8.563 12.140 1.00 0.00 C ATOM 697 C ARG A 144 -4.182 7.902 12.549 1.00 0.00 C ATOM 698 O ARG A 144 -3.995 6.712 12.376 1.00 0.00 O ATOM 699 CB ARG A 144 -5.332 9.236 10.777 1.00 0.00 C ATOM 700 CG ARG A 144 -5.307 8.172 9.679 1.00 0.00 C ATOM 701 CD ARG A 144 -5.280 8.850 8.309 1.00 0.00 C ATOM 702 NE ARG A 144 -3.992 9.580 8.141 1.00 0.00 N ATOM 703 CZ ARG A 144 -3.471 9.719 6.952 1.00 0.00 C ATOM 704 NH1 ARG A 144 -4.021 10.529 6.089 1.00 0.00 N ATOM 705 NH2 ARG A 144 -2.400 9.048 6.627 1.00 0.00 N ATOM 0 H ARG A 144 -5.851 10.551 12.825 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.282 7.807 12.077 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.150 9.935 10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.409 9.815 10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.432 7.533 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.184 7.530 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.394 8.106 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.117 9.542 8.217 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.517 9.971 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -4.858 11.054 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.614 10.638 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -1.970 8.415 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -1.993 9.156 5.698 1.00 0.00 H new ATOM 719 N ASP A 145 -3.269 8.668 13.090 1.00 0.00 N ATOM 720 CA ASP A 145 -1.958 8.095 13.518 1.00 0.00 C ATOM 721 C ASP A 145 -2.186 7.041 14.607 1.00 0.00 C ATOM 722 O ASP A 145 -1.401 6.127 14.769 1.00 0.00 O ATOM 723 CB ASP A 145 -1.068 9.212 14.070 1.00 0.00 C ATOM 724 CG ASP A 145 -1.817 9.966 15.170 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.126 9.353 16.178 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.070 11.145 14.986 1.00 0.00 O ATOM 0 H ASP A 145 -3.376 9.669 13.254 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.471 7.630 12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.144 8.792 14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.789 9.898 13.270 1.00 0.00 H new ATOM 731 N LEU A 146 -3.255 7.166 15.353 1.00 0.00 N ATOM 732 CA LEU A 146 -3.545 6.179 16.434 1.00 0.00 C ATOM 733 C LEU A 146 -3.896 4.823 15.818 1.00 0.00 C ATOM 734 O LEU A 146 -3.355 3.800 16.195 1.00 0.00 O ATOM 735 CB LEU A 146 -4.730 6.675 17.262 1.00 0.00 C ATOM 736 CG LEU A 146 -4.223 7.527 18.427 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.408 8.184 19.133 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.471 6.635 19.419 1.00 0.00 C ATOM 0 H LEU A 146 -3.942 7.914 15.258 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.666 6.071 17.069 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.404 7.261 16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.302 5.828 17.640 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.553 8.299 18.048 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.046 8.791 19.963 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.946 8.817 18.428 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.078 7.413 19.513 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.109 7.240 20.250 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.143 5.864 19.797 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.625 6.165 18.917 1.00 0.00 H new ATOM 750 N LEU A 147 -4.808 4.809 14.880 1.00 0.00 N ATOM 751 CA LEU A 147 -5.222 3.523 14.232 1.00 0.00 C ATOM 752 C LEU A 147 -4.001 2.789 13.664 1.00 0.00 C ATOM 753 O LEU A 147 -3.913 1.578 13.735 1.00 0.00 O ATOM 754 CB LEU A 147 -6.207 3.821 13.099 1.00 0.00 C ATOM 755 CG LEU A 147 -7.084 2.594 12.849 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.286 2.990 11.990 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.268 1.524 12.121 1.00 0.00 C ATOM 0 H LEU A 147 -5.288 5.638 14.531 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.696 2.889 14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.828 4.678 13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.664 4.084 12.191 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.434 2.199 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.911 2.114 11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.868 3.752 12.508 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.937 3.386 11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.893 0.649 11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.917 1.920 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.412 1.240 12.733 1.00 0.00 H new ATOM 769 N ILE A 148 -3.062 3.511 13.102 1.00 0.00 N ATOM 770 CA ILE A 148 -1.850 2.849 12.533 1.00 0.00 C ATOM 771 C ILE A 148 -1.007 2.271 13.673 1.00 0.00 C ATOM 772 O ILE A 148 -0.511 1.165 13.587 1.00 0.00 O ATOM 773 CB ILE A 148 -1.022 3.868 11.744 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.904 4.527 10.679 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.149 3.156 11.062 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.206 5.776 10.138 1.00 0.00 C ATOM 0 H ILE A 148 -3.084 4.527 13.014 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.157 2.046 11.863 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.640 4.629 12.424 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.098 3.826 9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.870 4.794 11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.738 3.881 10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.778 2.684 11.817 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.234 2.395 10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.834 6.244 9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.035 6.479 10.953 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.251 5.496 9.695 1.00 0.00 H new ATOM 788 N ARG A 149 -0.848 3.011 14.739 1.00 0.00 N ATOM 789 CA ARG A 149 -0.043 2.509 15.893 1.00 0.00 C ATOM 790 C ARG A 149 -0.775 1.350 16.588 1.00 0.00 C ATOM 791 O ARG A 149 -0.204 0.660 17.409 1.00 0.00 O ATOM 792 CB ARG A 149 0.170 3.648 16.896 1.00 0.00 C ATOM 793 CG ARG A 149 1.137 3.198 18.000 1.00 0.00 C ATOM 794 CD ARG A 149 0.357 2.898 19.284 1.00 0.00 C ATOM 795 NE ARG A 149 1.241 3.119 20.464 1.00 0.00 N ATOM 796 CZ ARG A 149 0.885 2.675 21.638 1.00 0.00 C ATOM 797 NH1 ARG A 149 1.112 1.431 21.961 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.302 3.474 22.489 1.00 0.00 N ATOM 0 H ARG A 149 -1.242 3.944 14.861 1.00 0.00 H new ATOM 0 HA ARG A 149 0.919 2.152 15.526 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.570 4.524 16.385 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.784 3.942 17.334 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.682 2.310 17.679 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.877 3.976 18.187 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.521 3.541 19.348 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -0.002 1.869 19.272 1.00 0.00 H new ATOM 0 HE ARG A 149 2.124 3.617 20.353 1.00 0.00 H new ATOM 0 HH11 ARG A 149 1.568 0.806 21.296 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.834 1.083 22.879 1.00 0.00 H new ATOM 0 HH21 ARG A 149 0.124 4.446 22.237 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.024 3.126 23.407 1.00 0.00 H new ATOM 812 N HIS A 150 -2.031 1.135 16.272 1.00 0.00 N ATOM 813 CA HIS A 150 -2.795 0.030 16.920 1.00 0.00 C ATOM 814 C HIS A 150 -2.504 -1.293 16.191 1.00 0.00 C ATOM 815 O HIS A 150 -2.322 -2.322 16.813 1.00 0.00 O ATOM 816 CB HIS A 150 -4.297 0.372 16.852 1.00 0.00 C ATOM 817 CG HIS A 150 -5.144 -0.803 17.280 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.961 -1.449 18.493 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.173 -1.458 16.657 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.863 -2.446 18.559 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.628 -2.496 17.463 1.00 0.00 N ATOM 0 H HIS A 150 -2.558 1.681 15.591 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.497 -0.082 17.962 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.507 1.228 17.493 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.561 0.663 15.835 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.270 -1.212 19.205 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.571 -1.206 15.685 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.957 -3.123 19.395 1.00 0.00 H new ATOM 829 N ALA A 151 -2.476 -1.274 14.882 1.00 0.00 N ATOM 830 CA ALA A 151 -2.217 -2.533 14.117 1.00 0.00 C ATOM 831 C ALA A 151 -0.714 -2.819 14.052 1.00 0.00 C ATOM 832 O ALA A 151 -0.261 -3.886 14.421 1.00 0.00 O ATOM 833 CB ALA A 151 -2.768 -2.386 12.697 1.00 0.00 C ATOM 0 H ALA A 151 -2.621 -0.442 14.310 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.712 -3.362 14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.580 -3.302 12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.841 -2.201 12.741 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.275 -1.550 12.200 1.00 0.00 H new ATOM 839 N GLN A 152 0.063 -1.877 13.577 1.00 0.00 N ATOM 840 CA GLN A 152 1.544 -2.085 13.465 1.00 0.00 C ATOM 841 C GLN A 152 2.134 -2.597 14.789 1.00 0.00 C ATOM 842 O GLN A 152 3.178 -3.221 14.806 1.00 0.00 O ATOM 843 CB GLN A 152 2.218 -0.755 13.104 1.00 0.00 C ATOM 844 CG GLN A 152 1.587 -0.172 11.829 1.00 0.00 C ATOM 845 CD GLN A 152 2.674 0.112 10.785 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.839 0.217 11.115 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.338 0.245 9.532 1.00 0.00 N ATOM 0 H GLN A 152 -0.266 -0.965 13.259 1.00 0.00 H new ATOM 0 HA GLN A 152 1.726 -2.829 12.690 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.111 -0.049 13.928 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.286 -0.909 12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.856 -0.871 11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.051 0.747 12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 152 1.361 0.157 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.053 0.437 8.830 1.00 0.00 H new ATOM 856 N LYS A 153 1.483 -2.327 15.894 1.00 0.00 N ATOM 857 CA LYS A 153 2.014 -2.785 17.211 1.00 0.00 C ATOM 858 C LYS A 153 1.378 -4.118 17.615 1.00 0.00 C ATOM 859 O LYS A 153 1.982 -4.909 18.316 1.00 0.00 O ATOM 860 CB LYS A 153 1.692 -1.733 18.275 1.00 0.00 C ATOM 861 CG LYS A 153 2.811 -0.689 18.326 1.00 0.00 C ATOM 862 CD LYS A 153 2.891 0.055 16.989 1.00 0.00 C ATOM 863 CE LYS A 153 4.010 1.095 17.049 1.00 0.00 C ATOM 864 NZ LYS A 153 4.517 1.360 15.672 1.00 0.00 N ATOM 0 H LYS A 153 0.606 -1.808 15.938 1.00 0.00 H new ATOM 0 HA LYS A 153 3.092 -2.921 17.127 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.742 -1.250 18.047 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.582 -2.209 19.249 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.624 0.018 19.135 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.763 -1.174 18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.079 -0.650 16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.939 0.541 16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.640 2.018 17.496 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.820 0.737 17.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.278 2.067 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.885 0.478 15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 3.741 1.720 15.080 1.00 0.00 H new ATOM 878 N ILE A 154 0.159 -4.366 17.201 1.00 0.00 N ATOM 879 CA ILE A 154 -0.514 -5.642 17.590 1.00 0.00 C ATOM 880 C ILE A 154 -0.909 -6.447 16.342 1.00 0.00 C ATOM 881 O ILE A 154 -0.564 -7.607 16.220 1.00 0.00 O ATOM 882 CB ILE A 154 -1.762 -5.317 18.422 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.352 -4.492 19.648 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.428 -6.616 18.889 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.487 -2.999 19.338 1.00 0.00 C ATOM 0 H ILE A 154 -0.395 -3.743 16.614 1.00 0.00 H new ATOM 0 HA ILE A 154 0.176 -6.245 18.180 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.464 -4.750 17.811 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -1.979 -4.754 20.500 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.324 -4.723 19.926 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.313 -6.379 19.479 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.718 -7.209 18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.727 -7.185 19.499 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.194 -2.418 20.213 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.841 -2.742 18.499 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.522 -2.773 19.082 1.00 0.00 H new ATOM 897 N HIS A 155 -1.633 -5.852 15.426 1.00 0.00 N ATOM 898 CA HIS A 155 -2.051 -6.600 14.201 1.00 0.00 C ATOM 899 C HIS A 155 -0.866 -6.713 13.237 1.00 0.00 C ATOM 900 O HIS A 155 -0.226 -7.744 13.149 1.00 0.00 O ATOM 901 CB HIS A 155 -3.211 -5.869 13.519 1.00 0.00 C ATOM 902 CG HIS A 155 -4.418 -5.891 14.416 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.238 -7.004 14.527 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.960 -4.942 15.248 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.219 -6.700 15.396 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.097 -5.455 15.865 1.00 0.00 N ATOM 0 H HIS A 155 -1.951 -4.884 15.474 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.378 -7.601 14.484 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.927 -4.840 13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.444 -6.345 12.567 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -5.119 -7.892 14.039 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.564 -3.949 15.400 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.009 -7.380 15.680 1.00 0.00 H new ATOM 914 N SER A 156 -0.569 -5.662 12.515 1.00 0.00 N ATOM 915 CA SER A 156 0.573 -5.704 11.555 1.00 0.00 C ATOM 916 C SER A 156 0.734 -4.334 10.894 1.00 0.00 C ATOM 917 O SER A 156 0.063 -3.382 11.247 1.00 0.00 O ATOM 918 CB SER A 156 0.302 -6.758 10.479 1.00 0.00 C ATOM 919 OG SER A 156 -1.101 -6.906 10.306 1.00 0.00 O ATOM 0 H SER A 156 -1.071 -4.775 12.550 1.00 0.00 H new ATOM 0 HA SER A 156 1.486 -5.961 12.092 1.00 0.00 H new ATOM 0 HB2 SER A 156 0.766 -6.461 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 156 0.747 -7.711 10.767 1.00 0.00 H new ATOM 0 HG SER A 156 -1.276 -7.580 9.616 1.00 0.00 H new ATOM 925 N GLY A 157 1.621 -4.229 9.938 1.00 0.00 N ATOM 926 CA GLY A 157 1.836 -2.925 9.245 1.00 0.00 C ATOM 927 C GLY A 157 2.866 -3.105 8.129 1.00 0.00 C ATOM 928 O GLY A 157 2.826 -4.069 7.387 1.00 0.00 O ATOM 0 H GLY A 157 2.208 -4.995 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 157 0.895 -2.561 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 157 2.182 -2.175 9.957 1.00 0.00 H new ATOM 932 N ASN A 158 3.787 -2.183 8.005 1.00 0.00 N ATOM 933 CA ASN A 158 4.824 -2.293 6.938 1.00 0.00 C ATOM 934 C ASN A 158 6.197 -2.495 7.582 1.00 0.00 C ATOM 935 O ASN A 158 6.320 -2.589 8.789 1.00 0.00 O ATOM 936 CB ASN A 158 4.835 -1.010 6.106 1.00 0.00 C ATOM 937 CG ASN A 158 3.487 -0.845 5.403 1.00 0.00 C ATOM 938 OD1 ASN A 158 3.067 -1.709 4.658 1.00 0.00 O ATOM 939 ND2 ASN A 158 2.783 0.234 5.611 1.00 0.00 N ATOM 0 H ASN A 158 3.864 -1.357 8.599 1.00 0.00 H new ATOM 0 HA ASN A 158 4.596 -3.142 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 158 5.030 -0.150 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 158 5.638 -1.048 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 158 1.881 0.352 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 158 3.134 0.960 6.236 1.00 0.00 H new ATOM 946 N LEU A 159 7.233 -2.562 6.781 1.00 0.00 N ATOM 947 CA LEU A 159 8.610 -2.757 7.329 1.00 0.00 C ATOM 948 C LEU A 159 8.683 -4.093 8.075 1.00 0.00 C ATOM 949 O LEU A 159 7.677 -4.649 8.471 1.00 0.00 O ATOM 950 CB LEU A 159 8.952 -1.615 8.292 1.00 0.00 C ATOM 951 CG LEU A 159 10.435 -1.266 8.162 1.00 0.00 C ATOM 952 CD1 LEU A 159 10.663 -0.478 6.872 1.00 0.00 C ATOM 953 CD2 LEU A 159 10.864 -0.415 9.361 1.00 0.00 C ATOM 0 H LEU A 159 7.182 -2.489 5.765 1.00 0.00 H new ATOM 0 HA LEU A 159 9.325 -2.761 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 159 8.341 -0.741 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 159 8.725 -1.909 9.317 1.00 0.00 H new ATOM 0 HG LEU A 159 11.023 -2.183 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 159 11.720 -0.229 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 159 10.356 -1.082 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 159 10.075 0.440 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 159 11.921 -0.165 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 159 10.275 0.502 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 159 10.701 -0.975 10.282 1.00 0.00 H new ATOM 965 N GLY A 160 9.872 -4.607 8.265 1.00 0.00 N ATOM 966 CA GLY A 160 10.027 -5.907 8.984 1.00 0.00 C ATOM 967 C GLY A 160 11.514 -6.201 9.189 1.00 0.00 C ATOM 968 O GLY A 160 12.347 -5.317 9.105 1.00 0.00 O ATOM 0 H GLY A 160 10.744 -4.181 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 160 9.517 -5.866 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 160 9.562 -6.709 8.411 1.00 0.00 H new ATOM 972 N GLU A 161 11.851 -7.437 9.458 1.00 0.00 N ATOM 973 CA GLU A 161 13.283 -7.799 9.670 1.00 0.00 C ATOM 974 C GLU A 161 14.057 -7.606 8.364 1.00 0.00 C ATOM 975 O GLU A 161 13.530 -7.972 7.326 1.00 0.00 O ATOM 976 CB GLU A 161 13.379 -9.261 10.110 1.00 0.00 C ATOM 977 CG GLU A 161 13.115 -9.361 11.614 1.00 0.00 C ATOM 978 CD GLU A 161 14.289 -8.750 12.381 1.00 0.00 C ATOM 979 OE1 GLU A 161 15.258 -9.458 12.604 1.00 0.00 O ATOM 980 OE2 GLU A 161 14.200 -7.585 12.731 1.00 0.00 O ATOM 981 OXT GLU A 161 15.165 -7.098 8.424 1.00 0.00 O ATOM 0 H GLU A 161 11.193 -8.212 9.540 1.00 0.00 H new ATOM 0 HA GLU A 161 13.710 -7.159 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 161 12.655 -9.865 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 161 14.367 -9.658 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 161 12.191 -8.840 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 161 12.982 -10.404 11.902 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.352 -3.852 16.083 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -27.519 10.710 26.480 1.00 0.00 ZN