USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 477 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 Single : A 1 PHE N :NH3+ 142:sc= 0.733 (180deg=0.0888) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.252 USER MOD Single : A 23 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0597 K(o=-0.06,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 93:sc= 0.00221 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 89:sc= 0.693 USER MOD Single : A 55 GLN : amide:sc= -0.213 K(o=-0.21,f=-7.7!) USER MOD Single : A 56 THR OG1 : rot 86:sc= 0.571 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -3.428 -35.696 8.035 1.00 2.15 N ATOM 2 CA PHE A 1 -2.130 -35.439 7.363 1.00 54.11 C ATOM 3 C PHE A 1 -2.113 -36.129 5.977 1.00 74.34 C ATOM 4 O PHE A 1 -1.829 -37.328 5.876 1.00 54.34 O ATOM 5 CB PHE A 1 -0.948 -35.924 8.250 1.00 63.24 C ATOM 6 CG PHE A 1 -0.952 -35.363 9.679 1.00 32.24 C ATOM 7 CD1 PHE A 1 -1.650 -36.011 10.705 1.00 74.53 C ATOM 8 CD2 PHE A 1 -0.256 -34.197 9.998 1.00 71.34 C ATOM 9 CE1 PHE A 1 -1.650 -35.510 11.994 1.00 74.03 C ATOM 10 CE2 PHE A 1 -0.258 -33.699 11.288 1.00 11.21 C ATOM 11 CZ PHE A 1 -0.951 -34.354 12.287 1.00 61.32 C ATOM 0 H1 PHE A 1 -3.269 -35.841 9.053 1.00 2.15 H new ATOM 0 H2 PHE A 1 -4.058 -34.881 7.896 1.00 2.15 H new ATOM 0 H3 PHE A 1 -3.867 -36.547 7.628 1.00 2.15 H new ATOM 0 HA PHE A 1 -2.010 -34.366 7.215 1.00 54.11 H new ATOM 0 HB2 PHE A 1 -0.971 -37.013 8.301 1.00 63.24 H new ATOM 0 HB3 PHE A 1 -0.011 -35.647 7.767 1.00 63.24 H new ATOM 0 HD1 PHE A 1 -2.197 -36.916 10.486 1.00 74.53 H new ATOM 0 HD2 PHE A 1 0.292 -33.676 9.227 1.00 71.34 H new ATOM 0 HE1 PHE A 1 -2.196 -36.022 12.772 1.00 74.03 H new ATOM 0 HE2 PHE A 1 0.285 -32.794 11.515 1.00 11.21 H new ATOM 0 HZ PHE A 1 -0.947 -33.964 13.294 1.00 61.32 H new ATOM 23 N THR A 2 -2.475 -35.373 4.911 1.00 75.44 N ATOM 24 CA THR A 2 -2.521 -35.894 3.511 1.00 4.03 C ATOM 25 C THR A 2 -1.692 -35.015 2.563 1.00 41.43 C ATOM 26 O THR A 2 -1.556 -33.803 2.771 1.00 45.02 O ATOM 27 CB THR A 2 -3.981 -35.995 2.942 1.00 63.03 C ATOM 28 OG1 THR A 2 -4.538 -34.688 2.759 1.00 20.15 O ATOM 29 CG2 THR A 2 -4.904 -36.821 3.856 1.00 62.22 C ATOM 0 H THR A 2 -2.742 -34.392 4.990 1.00 75.44 H new ATOM 0 HA THR A 2 -2.100 -36.898 3.561 1.00 4.03 H new ATOM 0 HB THR A 2 -3.913 -36.505 1.981 1.00 63.03 H new ATOM 0 HG1 THR A 2 -5.447 -34.767 2.402 1.00 20.15 H new ATOM 0 HG21 THR A 2 -5.903 -36.863 3.422 1.00 62.22 H new ATOM 0 HG22 THR A 2 -4.508 -37.832 3.955 1.00 62.22 H new ATOM 0 HG23 THR A 2 -4.955 -36.354 4.839 1.00 62.22 H new ATOM 37 N LEU A 3 -1.185 -35.651 1.491 1.00 75.51 N ATOM 38 CA LEU A 3 -0.380 -34.989 0.434 1.00 52.43 C ATOM 39 C LEU A 3 -1.227 -33.996 -0.398 1.00 2.24 C ATOM 40 O LEU A 3 -0.691 -33.101 -1.063 1.00 52.14 O ATOM 41 CB LEU A 3 0.254 -36.066 -0.489 1.00 43.13 C ATOM 42 CG LEU A 3 1.037 -37.211 0.243 1.00 21.22 C ATOM 43 CD1 LEU A 3 1.681 -38.196 -0.762 1.00 43.44 C ATOM 44 CD2 LEU A 3 2.083 -36.635 1.232 1.00 72.24 C ATOM 0 H LEU A 3 -1.321 -36.649 1.328 1.00 75.51 H new ATOM 0 HA LEU A 3 0.408 -34.413 0.919 1.00 52.43 H new ATOM 0 HB2 LEU A 3 -0.537 -36.517 -1.088 1.00 43.13 H new ATOM 0 HB3 LEU A 3 0.934 -35.570 -1.181 1.00 43.13 H new ATOM 0 HG LEU A 3 0.314 -37.780 0.828 1.00 21.22 H new ATOM 0 HD11 LEU A 3 2.214 -38.975 -0.217 1.00 43.44 H new ATOM 0 HD12 LEU A 3 0.903 -38.650 -1.376 1.00 43.44 H new ATOM 0 HD13 LEU A 3 2.380 -37.658 -1.402 1.00 43.44 H new ATOM 0 HD21 LEU A 3 2.609 -37.454 1.723 1.00 72.24 H new ATOM 0 HD22 LEU A 3 2.799 -36.019 0.687 1.00 72.24 H new ATOM 0 HD23 LEU A 3 1.578 -36.026 1.982 1.00 72.24 H new ATOM 56 N ILE A 4 -2.555 -34.172 -0.328 1.00 35.33 N ATOM 57 CA ILE A 4 -3.521 -33.385 -1.131 1.00 74.14 C ATOM 58 C ILE A 4 -3.911 -32.086 -0.409 1.00 62.43 C ATOM 59 O ILE A 4 -3.886 -31.006 -1.011 1.00 12.50 O ATOM 60 CB ILE A 4 -4.813 -34.226 -1.464 1.00 45.02 C ATOM 61 CG1 ILE A 4 -4.424 -35.566 -2.171 1.00 3.32 C ATOM 62 CG2 ILE A 4 -5.821 -33.409 -2.324 1.00 52.33 C ATOM 63 CD1 ILE A 4 -3.666 -35.391 -3.482 1.00 72.42 C ATOM 0 H ILE A 4 -2.995 -34.860 0.283 1.00 35.33 H new ATOM 0 HA ILE A 4 -3.028 -33.129 -2.069 1.00 74.14 H new ATOM 0 HB ILE A 4 -5.311 -34.465 -0.524 1.00 45.02 H new ATOM 0 HG12 ILE A 4 -3.814 -36.158 -1.489 1.00 3.32 H new ATOM 0 HG13 ILE A 4 -5.332 -36.137 -2.364 1.00 3.32 H new ATOM 0 HG21 ILE A 4 -6.699 -34.020 -2.534 1.00 52.33 H new ATOM 0 HG22 ILE A 4 -6.123 -32.515 -1.779 1.00 52.33 H new ATOM 0 HG23 ILE A 4 -5.348 -33.119 -3.262 1.00 52.33 H new ATOM 0 HD11 ILE A 4 -3.437 -36.370 -3.903 1.00 72.42 H new ATOM 0 HD12 ILE A 4 -4.280 -34.828 -4.185 1.00 72.42 H new ATOM 0 HD13 ILE A 4 -2.738 -34.850 -3.296 1.00 72.42 H new ATOM 75 N GLU A 5 -4.277 -32.211 0.884 1.00 51.45 N ATOM 76 CA GLU A 5 -4.601 -31.073 1.764 1.00 2.10 C ATOM 77 C GLU A 5 -3.453 -30.045 1.781 1.00 55.02 C ATOM 78 O GLU A 5 -3.690 -28.858 1.588 1.00 50.23 O ATOM 79 CB GLU A 5 -4.887 -31.595 3.203 1.00 4.34 C ATOM 80 CG GLU A 5 -5.097 -30.515 4.286 1.00 52.40 C ATOM 81 CD GLU A 5 -6.383 -29.686 4.108 1.00 54.44 C ATOM 82 OE1 GLU A 5 -7.451 -30.113 4.597 1.00 35.41 O ATOM 83 OE2 GLU A 5 -6.334 -28.608 3.482 1.00 24.54 O ATOM 0 H GLU A 5 -4.356 -33.115 1.349 1.00 51.45 H new ATOM 0 HA GLU A 5 -5.490 -30.573 1.379 1.00 2.10 H new ATOM 0 HB2 GLU A 5 -5.776 -32.225 3.169 1.00 4.34 H new ATOM 0 HB3 GLU A 5 -4.057 -32.231 3.509 1.00 4.34 H new ATOM 0 HG2 GLU A 5 -5.120 -30.996 5.264 1.00 52.40 H new ATOM 0 HG3 GLU A 5 -4.240 -29.841 4.283 1.00 52.40 H new ATOM 90 N LEU A 6 -2.207 -30.535 1.961 1.00 24.04 N ATOM 91 CA LEU A 6 -1.007 -29.671 2.032 1.00 54.25 C ATOM 92 C LEU A 6 -0.744 -28.937 0.698 1.00 24.14 C ATOM 93 O LEU A 6 -0.329 -27.784 0.704 1.00 73.01 O ATOM 94 CB LEU A 6 0.227 -30.495 2.541 1.00 33.33 C ATOM 95 CG LEU A 6 0.928 -31.536 1.584 1.00 74.34 C ATOM 96 CD1 LEU A 6 1.912 -30.879 0.574 1.00 61.43 C ATOM 97 CD2 LEU A 6 1.653 -32.635 2.397 1.00 64.22 C ATOM 0 H LEU A 6 -2.005 -31.530 2.060 1.00 24.04 H new ATOM 0 HA LEU A 6 -1.189 -28.882 2.762 1.00 54.25 H new ATOM 0 HB2 LEU A 6 0.987 -29.780 2.855 1.00 33.33 H new ATOM 0 HB3 LEU A 6 -0.090 -31.036 3.433 1.00 33.33 H new ATOM 0 HG LEU A 6 0.129 -31.988 0.997 1.00 74.34 H new ATOM 0 HD11 LEU A 6 2.359 -31.651 -0.053 1.00 61.43 H new ATOM 0 HD12 LEU A 6 1.371 -30.170 -0.053 1.00 61.43 H new ATOM 0 HD13 LEU A 6 2.697 -30.355 1.119 1.00 61.43 H new ATOM 0 HD21 LEU A 6 2.128 -33.339 1.714 1.00 64.22 H new ATOM 0 HD22 LEU A 6 2.412 -32.177 3.031 1.00 64.22 H new ATOM 0 HD23 LEU A 6 0.931 -33.164 3.019 1.00 64.22 H new ATOM 109 N LEU A 7 -1.002 -29.623 -0.442 1.00 44.10 N ATOM 110 CA LEU A 7 -0.903 -29.030 -1.789 1.00 74.20 C ATOM 111 C LEU A 7 -1.854 -27.819 -1.943 1.00 65.33 C ATOM 112 O LEU A 7 -1.462 -26.759 -2.450 1.00 51.13 O ATOM 113 CB LEU A 7 -1.231 -30.116 -2.843 1.00 65.31 C ATOM 114 CG LEU A 7 -1.169 -29.676 -4.339 1.00 4.22 C ATOM 115 CD1 LEU A 7 0.250 -29.201 -4.731 1.00 72.51 C ATOM 116 CD2 LEU A 7 -1.666 -30.813 -5.265 1.00 51.03 C ATOM 0 H LEU A 7 -1.284 -30.603 -0.448 1.00 44.10 H new ATOM 0 HA LEU A 7 0.113 -28.665 -1.940 1.00 74.20 H new ATOM 0 HB2 LEU A 7 -0.540 -30.947 -2.703 1.00 65.31 H new ATOM 0 HB3 LEU A 7 -2.232 -30.497 -2.641 1.00 65.31 H new ATOM 0 HG LEU A 7 -1.837 -28.825 -4.468 1.00 4.22 H new ATOM 0 HD11 LEU A 7 0.257 -28.902 -5.779 1.00 72.51 H new ATOM 0 HD12 LEU A 7 0.534 -28.352 -4.110 1.00 72.51 H new ATOM 0 HD13 LEU A 7 0.960 -30.014 -4.581 1.00 72.51 H new ATOM 0 HD21 LEU A 7 -1.615 -30.485 -6.303 1.00 51.03 H new ATOM 0 HD22 LEU A 7 -1.037 -31.693 -5.131 1.00 51.03 H new ATOM 0 HD23 LEU A 7 -2.697 -31.062 -5.014 1.00 51.03 H new ATOM 128 N ILE A 8 -3.103 -28.000 -1.482 1.00 43.24 N ATOM 129 CA ILE A 8 -4.146 -26.977 -1.508 1.00 14.11 C ATOM 130 C ILE A 8 -3.837 -25.808 -0.535 1.00 62.24 C ATOM 131 O ILE A 8 -4.090 -24.656 -0.868 1.00 74.31 O ATOM 132 CB ILE A 8 -5.516 -27.653 -1.160 1.00 62.52 C ATOM 133 CG1 ILE A 8 -5.876 -28.736 -2.236 1.00 2.30 C ATOM 134 CG2 ILE A 8 -6.647 -26.616 -1.005 1.00 32.24 C ATOM 135 CD1 ILE A 8 -7.046 -29.629 -1.878 1.00 4.41 C ATOM 0 H ILE A 8 -3.416 -28.881 -1.074 1.00 43.24 H new ATOM 0 HA ILE A 8 -4.190 -26.541 -2.506 1.00 14.11 H new ATOM 0 HB ILE A 8 -5.410 -28.147 -0.194 1.00 62.52 H new ATOM 0 HG12 ILE A 8 -6.097 -28.232 -3.177 1.00 2.30 H new ATOM 0 HG13 ILE A 8 -5.000 -29.361 -2.408 1.00 2.30 H new ATOM 0 HG21 ILE A 8 -7.579 -27.127 -0.764 1.00 32.24 H new ATOM 0 HG22 ILE A 8 -6.396 -25.921 -0.203 1.00 32.24 H new ATOM 0 HG23 ILE A 8 -6.766 -26.065 -1.938 1.00 32.24 H new ATOM 0 HD11 ILE A 8 -7.218 -30.344 -2.683 1.00 4.41 H new ATOM 0 HD12 ILE A 8 -6.825 -30.167 -0.956 1.00 4.41 H new ATOM 0 HD13 ILE A 8 -7.939 -29.020 -1.737 1.00 4.41 H new ATOM 147 N VAL A 9 -3.304 -26.126 0.663 1.00 63.12 N ATOM 148 CA VAL A 9 -2.868 -25.127 1.653 1.00 73.32 C ATOM 149 C VAL A 9 -1.741 -24.219 1.086 1.00 43.31 C ATOM 150 O VAL A 9 -1.827 -22.998 1.181 1.00 62.32 O ATOM 151 CB VAL A 9 -2.418 -25.834 2.993 1.00 53.42 C ATOM 152 CG1 VAL A 9 -1.691 -24.871 3.947 1.00 55.04 C ATOM 153 CG2 VAL A 9 -3.633 -26.484 3.703 1.00 72.33 C ATOM 0 H VAL A 9 -3.165 -27.089 0.969 1.00 63.12 H new ATOM 0 HA VAL A 9 -3.718 -24.482 1.878 1.00 73.32 H new ATOM 0 HB VAL A 9 -1.708 -26.614 2.718 1.00 53.42 H new ATOM 0 HG11 VAL A 9 -1.402 -25.405 4.853 1.00 55.04 H new ATOM 0 HG12 VAL A 9 -0.800 -24.478 3.458 1.00 55.04 H new ATOM 0 HG13 VAL A 9 -2.355 -24.047 4.208 1.00 55.04 H new ATOM 0 HG21 VAL A 9 -3.302 -26.965 4.623 1.00 72.33 H new ATOM 0 HG22 VAL A 9 -4.370 -25.716 3.940 1.00 72.33 H new ATOM 0 HG23 VAL A 9 -4.083 -27.228 3.046 1.00 72.33 H new ATOM 163 N VAL A 10 -0.710 -24.826 0.471 1.00 74.43 N ATOM 164 CA VAL A 10 0.388 -24.091 -0.188 1.00 42.15 C ATOM 165 C VAL A 10 -0.125 -23.266 -1.406 1.00 33.32 C ATOM 166 O VAL A 10 0.397 -22.178 -1.690 1.00 40.33 O ATOM 167 CB VAL A 10 1.520 -25.104 -0.610 1.00 62.10 C ATOM 168 CG1 VAL A 10 2.612 -24.441 -1.472 1.00 64.40 C ATOM 169 CG2 VAL A 10 2.138 -25.770 0.647 1.00 10.33 C ATOM 0 H VAL A 10 -0.613 -25.840 0.416 1.00 74.43 H new ATOM 0 HA VAL A 10 0.804 -23.374 0.520 1.00 42.15 H new ATOM 0 HB VAL A 10 1.056 -25.872 -1.229 1.00 62.10 H new ATOM 0 HG11 VAL A 10 3.367 -25.182 -1.735 1.00 64.40 H new ATOM 0 HG12 VAL A 10 2.164 -24.040 -2.381 1.00 64.40 H new ATOM 0 HG13 VAL A 10 3.078 -23.632 -0.910 1.00 64.40 H new ATOM 0 HG21 VAL A 10 2.918 -26.467 0.343 1.00 10.33 H new ATOM 0 HG22 VAL A 10 2.568 -25.003 1.291 1.00 10.33 H new ATOM 0 HG23 VAL A 10 1.363 -26.308 1.192 1.00 10.33 H new ATOM 179 N ALA A 11 -1.170 -23.783 -2.090 1.00 53.24 N ATOM 180 CA ALA A 11 -1.823 -23.079 -3.219 1.00 5.42 C ATOM 181 C ALA A 11 -2.530 -21.783 -2.750 1.00 72.14 C ATOM 182 O ALA A 11 -2.204 -20.692 -3.223 1.00 71.24 O ATOM 183 CB ALA A 11 -2.825 -24.016 -3.927 1.00 34.22 C ATOM 0 H ALA A 11 -1.582 -24.692 -1.879 1.00 53.24 H new ATOM 0 HA ALA A 11 -1.046 -22.792 -3.927 1.00 5.42 H new ATOM 0 HB1 ALA A 11 -3.297 -23.486 -4.754 1.00 34.22 H new ATOM 0 HB2 ALA A 11 -2.298 -24.890 -4.310 1.00 34.22 H new ATOM 0 HB3 ALA A 11 -3.589 -24.335 -3.218 1.00 34.22 H new ATOM 189 N ILE A 12 -3.468 -21.922 -1.786 1.00 3.53 N ATOM 190 CA ILE A 12 -4.310 -20.808 -1.298 1.00 61.25 C ATOM 191 C ILE A 12 -3.478 -19.730 -0.561 1.00 4.42 C ATOM 192 O ILE A 12 -3.678 -18.544 -0.798 1.00 25.51 O ATOM 193 CB ILE A 12 -5.502 -21.322 -0.398 1.00 1.54 C ATOM 194 CG1 ILE A 12 -4.991 -22.061 0.886 1.00 10.22 C ATOM 195 CG2 ILE A 12 -6.463 -22.225 -1.229 1.00 62.42 C ATOM 196 CD1 ILE A 12 -6.073 -22.637 1.775 1.00 0.44 C ATOM 0 H ILE A 12 -3.662 -22.811 -1.325 1.00 3.53 H new ATOM 0 HA ILE A 12 -4.744 -20.337 -2.180 1.00 61.25 H new ATOM 0 HB ILE A 12 -6.060 -20.450 -0.057 1.00 1.54 H new ATOM 0 HG12 ILE A 12 -4.327 -22.869 0.580 1.00 10.22 H new ATOM 0 HG13 ILE A 12 -4.394 -21.363 1.473 1.00 10.22 H new ATOM 0 HG21 ILE A 12 -7.278 -22.570 -0.593 1.00 62.42 H new ATOM 0 HG22 ILE A 12 -6.870 -21.653 -2.063 1.00 62.42 H new ATOM 0 HG23 ILE A 12 -5.913 -23.084 -1.613 1.00 62.42 H new ATOM 0 HD11 ILE A 12 -5.615 -23.127 2.635 1.00 0.44 H new ATOM 0 HD12 ILE A 12 -6.726 -21.835 2.119 1.00 0.44 H new ATOM 0 HD13 ILE A 12 -6.658 -23.365 1.212 1.00 0.44 H new ATOM 208 N ILE A 13 -2.515 -20.159 0.293 1.00 33.01 N ATOM 209 CA ILE A 13 -1.557 -19.257 0.974 1.00 51.12 C ATOM 210 C ILE A 13 -0.625 -18.575 -0.057 1.00 3.23 C ATOM 211 O ILE A 13 -0.258 -17.401 0.101 1.00 22.14 O ATOM 212 CB ILE A 13 -0.726 -20.064 2.053 1.00 71.12 C ATOM 213 CG1 ILE A 13 -1.651 -20.491 3.246 1.00 34.31 C ATOM 214 CG2 ILE A 13 0.522 -19.293 2.553 1.00 22.21 C ATOM 215 CD1 ILE A 13 -0.965 -21.291 4.345 1.00 31.31 C ATOM 0 H ILE A 13 -2.382 -21.143 0.528 1.00 33.01 H new ATOM 0 HA ILE A 13 -2.113 -18.473 1.488 1.00 51.12 H new ATOM 0 HB ILE A 13 -0.348 -20.961 1.563 1.00 71.12 H new ATOM 0 HG12 ILE A 13 -2.084 -19.594 3.688 1.00 34.31 H new ATOM 0 HG13 ILE A 13 -2.477 -21.082 2.851 1.00 34.31 H new ATOM 0 HG21 ILE A 13 1.051 -19.896 3.291 1.00 22.21 H new ATOM 0 HG22 ILE A 13 1.183 -19.086 1.712 1.00 22.21 H new ATOM 0 HG23 ILE A 13 0.211 -18.353 3.009 1.00 22.21 H new ATOM 0 HD11 ILE A 13 -1.689 -21.537 5.122 1.00 31.31 H new ATOM 0 HD12 ILE A 13 -0.557 -22.210 3.925 1.00 31.31 H new ATOM 0 HD13 ILE A 13 -0.157 -20.699 4.776 1.00 31.31 H new ATOM 227 N GLY A 14 -0.284 -19.329 -1.128 1.00 4.40 N ATOM 228 CA GLY A 14 0.489 -18.800 -2.251 1.00 11.03 C ATOM 229 C GLY A 14 -0.216 -17.640 -2.958 1.00 42.11 C ATOM 230 O GLY A 14 0.431 -16.674 -3.363 1.00 24.42 O ATOM 0 H GLY A 14 -0.539 -20.311 -1.228 1.00 4.40 H new ATOM 0 HA2 GLY A 14 1.461 -18.464 -1.891 1.00 11.03 H new ATOM 0 HA3 GLY A 14 0.673 -19.599 -2.969 1.00 11.03 H new ATOM 234 N ILE A 15 -1.561 -17.736 -3.070 1.00 23.22 N ATOM 235 CA ILE A 15 -2.408 -16.676 -3.640 1.00 30.43 C ATOM 236 C ILE A 15 -2.494 -15.468 -2.689 1.00 72.42 C ATOM 237 O ILE A 15 -2.303 -14.336 -3.130 1.00 31.34 O ATOM 238 CB ILE A 15 -3.843 -17.252 -3.949 1.00 23.20 C ATOM 239 CG1 ILE A 15 -3.743 -18.424 -4.995 1.00 62.20 C ATOM 240 CG2 ILE A 15 -4.835 -16.149 -4.426 1.00 42.13 C ATOM 241 CD1 ILE A 15 -4.833 -19.464 -4.872 1.00 61.22 C ATOM 0 H ILE A 15 -2.086 -18.556 -2.765 1.00 23.22 H new ATOM 0 HA ILE A 15 -1.959 -16.330 -4.571 1.00 30.43 H new ATOM 0 HB ILE A 15 -4.248 -17.647 -3.017 1.00 23.20 H new ATOM 0 HG12 ILE A 15 -3.772 -18.002 -6.000 1.00 62.20 H new ATOM 0 HG13 ILE A 15 -2.776 -18.914 -4.883 1.00 62.20 H new ATOM 0 HG21 ILE A 15 -5.808 -16.597 -4.626 1.00 42.13 H new ATOM 0 HG22 ILE A 15 -4.937 -15.391 -3.650 1.00 42.13 H new ATOM 0 HG23 ILE A 15 -4.455 -15.687 -5.337 1.00 42.13 H new ATOM 0 HD11 ILE A 15 -4.688 -20.234 -5.630 1.00 61.22 H new ATOM 0 HD12 ILE A 15 -4.793 -19.917 -3.882 1.00 61.22 H new ATOM 0 HD13 ILE A 15 -5.805 -18.991 -5.016 1.00 61.22 H new ATOM 253 N LEU A 16 -2.746 -15.734 -1.383 1.00 55.13 N ATOM 254 CA LEU A 16 -2.890 -14.677 -0.345 1.00 61.14 C ATOM 255 C LEU A 16 -1.645 -13.769 -0.292 1.00 62.52 C ATOM 256 O LEU A 16 -1.762 -12.554 -0.219 1.00 14.40 O ATOM 257 CB LEU A 16 -3.122 -15.276 1.078 1.00 31.13 C ATOM 258 CG LEU A 16 -4.285 -16.307 1.258 1.00 73.40 C ATOM 259 CD1 LEU A 16 -4.562 -16.597 2.756 1.00 43.33 C ATOM 260 CD2 LEU A 16 -5.566 -15.882 0.499 1.00 53.24 C ATOM 0 H LEU A 16 -2.855 -16.681 -1.019 1.00 55.13 H new ATOM 0 HA LEU A 16 -3.764 -14.093 -0.632 1.00 61.14 H new ATOM 0 HB2 LEU A 16 -2.196 -15.758 1.393 1.00 31.13 H new ATOM 0 HB3 LEU A 16 -3.300 -14.448 1.764 1.00 31.13 H new ATOM 0 HG LEU A 16 -3.956 -17.243 0.806 1.00 73.40 H new ATOM 0 HD11 LEU A 16 -5.376 -17.317 2.843 1.00 43.33 H new ATOM 0 HD12 LEU A 16 -3.664 -17.006 3.219 1.00 43.33 H new ATOM 0 HD13 LEU A 16 -4.841 -15.672 3.260 1.00 43.33 H new ATOM 0 HD21 LEU A 16 -6.345 -16.628 0.654 1.00 53.24 H new ATOM 0 HD22 LEU A 16 -5.908 -14.917 0.874 1.00 53.24 H new ATOM 0 HD23 LEU A 16 -5.348 -15.801 -0.566 1.00 53.24 H new ATOM 272 N ALA A 17 -0.463 -14.397 -0.354 1.00 40.30 N ATOM 273 CA ALA A 17 0.830 -13.698 -0.276 1.00 33.42 C ATOM 274 C ALA A 17 1.145 -12.957 -1.594 1.00 30.02 C ATOM 275 O ALA A 17 1.494 -11.775 -1.582 1.00 0.14 O ATOM 276 CB ALA A 17 1.939 -14.698 0.075 1.00 3.23 C ATOM 0 H ALA A 17 -0.375 -15.408 -0.460 1.00 40.30 H new ATOM 0 HA ALA A 17 0.774 -12.946 0.511 1.00 33.42 H new ATOM 0 HB1 ALA A 17 2.895 -14.177 0.132 1.00 3.23 H new ATOM 0 HB2 ALA A 17 1.720 -15.161 1.037 1.00 3.23 H new ATOM 0 HB3 ALA A 17 1.991 -15.468 -0.694 1.00 3.23 H new ATOM 282 N ALA A 18 0.975 -13.659 -2.731 1.00 23.13 N ATOM 283 CA ALA A 18 1.274 -13.115 -4.079 1.00 65.34 C ATOM 284 C ALA A 18 0.372 -11.911 -4.462 1.00 63.41 C ATOM 285 O ALA A 18 0.749 -11.120 -5.329 1.00 15.13 O ATOM 286 CB ALA A 18 1.173 -14.225 -5.142 1.00 70.44 C ATOM 0 H ALA A 18 0.627 -14.618 -2.746 1.00 23.13 H new ATOM 0 HA ALA A 18 2.297 -12.739 -4.045 1.00 65.34 H new ATOM 0 HB1 ALA A 18 1.395 -13.809 -6.125 1.00 70.44 H new ATOM 0 HB2 ALA A 18 1.888 -15.015 -4.912 1.00 70.44 H new ATOM 0 HB3 ALA A 18 0.164 -14.638 -5.142 1.00 70.44 H new ATOM 292 N ILE A 19 -0.820 -11.784 -3.839 1.00 72.34 N ATOM 293 CA ILE A 19 -1.669 -10.580 -4.008 1.00 13.01 C ATOM 294 C ILE A 19 -1.347 -9.509 -2.949 1.00 2.40 C ATOM 295 O ILE A 19 -1.311 -8.324 -3.263 1.00 63.10 O ATOM 296 CB ILE A 19 -3.213 -10.917 -4.066 1.00 1.12 C ATOM 297 CG1 ILE A 19 -3.771 -11.604 -2.767 1.00 11.24 C ATOM 298 CG2 ILE A 19 -3.525 -11.760 -5.326 1.00 53.54 C ATOM 299 CD1 ILE A 19 -4.231 -10.639 -1.687 1.00 15.10 C ATOM 0 H ILE A 19 -1.215 -12.492 -3.220 1.00 72.34 H new ATOM 0 HA ILE A 19 -1.421 -10.160 -4.983 1.00 13.01 H new ATOM 0 HB ILE A 19 -3.735 -9.962 -4.127 1.00 1.12 H new ATOM 0 HG12 ILE A 19 -4.608 -12.246 -3.042 1.00 11.24 H new ATOM 0 HG13 ILE A 19 -2.997 -12.250 -2.353 1.00 11.24 H new ATOM 0 HG21 ILE A 19 -4.591 -11.987 -5.357 1.00 53.54 H new ATOM 0 HG22 ILE A 19 -3.248 -11.198 -6.218 1.00 53.54 H new ATOM 0 HG23 ILE A 19 -2.957 -12.690 -5.292 1.00 53.54 H new ATOM 0 HD11 ILE A 19 -4.600 -11.202 -0.829 1.00 15.10 H new ATOM 0 HD12 ILE A 19 -3.394 -10.013 -1.378 1.00 15.10 H new ATOM 0 HD13 ILE A 19 -5.030 -10.009 -2.078 1.00 15.10 H new ATOM 311 N ALA A 20 -1.071 -9.950 -1.709 1.00 70.34 N ATOM 312 CA ALA A 20 -0.839 -9.049 -0.549 1.00 4.40 C ATOM 313 C ALA A 20 0.408 -8.171 -0.721 1.00 53.51 C ATOM 314 O ALA A 20 0.336 -6.961 -0.562 1.00 54.02 O ATOM 315 CB ALA A 20 -0.744 -9.847 0.764 1.00 65.44 C ATOM 0 H ALA A 20 -1.001 -10.940 -1.475 1.00 70.34 H new ATOM 0 HA ALA A 20 -1.702 -8.385 -0.502 1.00 4.40 H new ATOM 0 HB1 ALA A 20 -0.574 -9.162 1.595 1.00 65.44 H new ATOM 0 HB2 ALA A 20 -1.674 -10.391 0.927 1.00 65.44 H new ATOM 0 HB3 ALA A 20 0.084 -10.553 0.701 1.00 65.44 H new ATOM 321 N ILE A 21 1.536 -8.803 -1.068 1.00 53.35 N ATOM 322 CA ILE A 21 2.850 -8.132 -1.186 1.00 52.21 C ATOM 323 C ILE A 21 2.836 -6.916 -2.160 1.00 53.21 C ATOM 324 O ILE A 21 3.207 -5.829 -1.733 1.00 41.41 O ATOM 325 CB ILE A 21 3.978 -9.166 -1.560 1.00 41.41 C ATOM 326 CG1 ILE A 21 4.174 -10.184 -0.390 1.00 24.42 C ATOM 327 CG2 ILE A 21 5.306 -8.450 -1.937 1.00 45.22 C ATOM 328 CD1 ILE A 21 4.699 -11.542 -0.814 1.00 34.34 C ATOM 0 H ILE A 21 1.570 -9.801 -1.277 1.00 53.35 H new ATOM 0 HA ILE A 21 3.077 -7.719 -0.203 1.00 52.21 H new ATOM 0 HB ILE A 21 3.665 -9.720 -2.445 1.00 41.41 H new ATOM 0 HG12 ILE A 21 4.863 -9.754 0.337 1.00 24.42 H new ATOM 0 HG13 ILE A 21 3.220 -10.321 0.118 1.00 24.42 H new ATOM 0 HG21 ILE A 21 6.062 -9.194 -2.189 1.00 45.22 H new ATOM 0 HG22 ILE A 21 5.137 -7.799 -2.795 1.00 45.22 H new ATOM 0 HG23 ILE A 21 5.651 -7.855 -1.092 1.00 45.22 H new ATOM 0 HD11 ILE A 21 4.803 -12.182 0.062 1.00 34.34 H new ATOM 0 HD12 ILE A 21 4.001 -11.999 -1.516 1.00 34.34 H new ATOM 0 HD13 ILE A 21 5.670 -11.423 -1.294 1.00 34.34 H new ATOM 340 N PRO A 22 2.416 -7.049 -3.467 1.00 0.04 N ATOM 341 CA PRO A 22 2.319 -5.873 -4.370 1.00 12.42 C ATOM 342 C PRO A 22 1.230 -4.870 -3.938 1.00 20.30 C ATOM 343 O PRO A 22 1.448 -3.664 -3.978 1.00 63.12 O ATOM 344 CB PRO A 22 1.965 -6.490 -5.739 1.00 50.23 C ATOM 345 CG PRO A 22 1.322 -7.804 -5.412 1.00 0.43 C ATOM 346 CD PRO A 22 2.037 -8.305 -4.184 1.00 21.41 C ATOM 0 HA PRO A 22 3.245 -5.298 -4.371 1.00 12.42 H new ATOM 0 HB2 PRO A 22 1.287 -5.846 -6.299 1.00 50.23 H new ATOM 0 HB3 PRO A 22 2.855 -6.627 -6.353 1.00 50.23 H new ATOM 0 HG2 PRO A 22 0.255 -7.683 -5.224 1.00 0.43 H new ATOM 0 HG3 PRO A 22 1.422 -8.507 -6.239 1.00 0.43 H new ATOM 0 HD2 PRO A 22 1.392 -8.937 -3.574 1.00 21.41 H new ATOM 0 HD3 PRO A 22 2.913 -8.899 -4.444 1.00 21.41 H new ATOM 354 N GLN A 23 0.074 -5.398 -3.502 1.00 31.23 N ATOM 355 CA GLN A 23 -1.111 -4.578 -3.138 1.00 65.41 C ATOM 356 C GLN A 23 -0.796 -3.647 -1.949 1.00 44.31 C ATOM 357 O GLN A 23 -1.201 -2.486 -1.924 1.00 1.11 O ATOM 358 CB GLN A 23 -2.308 -5.503 -2.779 1.00 55.14 C ATOM 359 CG GLN A 23 -3.575 -4.774 -2.273 1.00 23.24 C ATOM 360 CD GLN A 23 -4.639 -5.728 -1.732 1.00 74.05 C ATOM 361 OE1 GLN A 23 -5.537 -6.159 -2.445 1.00 64.25 O ATOM 362 NE2 GLN A 23 -4.524 -6.083 -0.473 1.00 62.42 N ATOM 0 H GLN A 23 -0.073 -6.401 -3.390 1.00 31.23 H new ATOM 0 HA GLN A 23 -1.374 -3.961 -3.997 1.00 65.41 H new ATOM 0 HB2 GLN A 23 -2.572 -6.087 -3.660 1.00 55.14 H new ATOM 0 HB3 GLN A 23 -1.984 -6.209 -2.014 1.00 55.14 H new ATOM 0 HG2 GLN A 23 -3.294 -4.071 -1.489 1.00 23.24 H new ATOM 0 HG3 GLN A 23 -4.001 -4.189 -3.088 1.00 23.24 H new ATOM 0 HE21 GLN A 23 -3.765 -5.707 0.096 1.00 62.42 H new ATOM 0 HE22 GLN A 23 -5.193 -6.735 -0.064 1.00 62.42 H new ATOM 371 N PHE A 24 -0.013 -4.178 -1.006 1.00 53.42 N ATOM 372 CA PHE A 24 0.287 -3.498 0.280 1.00 32.33 C ATOM 373 C PHE A 24 1.624 -2.735 0.234 1.00 32.44 C ATOM 374 O PHE A 24 1.755 -1.702 0.894 1.00 5.04 O ATOM 375 CB PHE A 24 0.257 -4.489 1.473 1.00 3.42 C ATOM 376 CG PHE A 24 -1.151 -4.955 1.872 1.00 63.15 C ATOM 377 CD1 PHE A 24 -2.158 -4.022 2.133 1.00 45.25 C ATOM 378 CD2 PHE A 24 -1.464 -6.306 2.008 1.00 24.33 C ATOM 379 CE1 PHE A 24 -3.424 -4.429 2.513 1.00 35.34 C ATOM 380 CE2 PHE A 24 -2.731 -6.713 2.387 1.00 4.33 C ATOM 381 CZ PHE A 24 -3.711 -5.773 2.641 1.00 33.21 C ATOM 0 H PHE A 24 0.435 -5.089 -1.102 1.00 53.42 H new ATOM 0 HA PHE A 24 -0.503 -2.763 0.435 1.00 32.33 H new ATOM 0 HB2 PHE A 24 0.858 -5.362 1.220 1.00 3.42 H new ATOM 0 HB3 PHE A 24 0.728 -4.016 2.335 1.00 3.42 H new ATOM 0 HD1 PHE A 24 -1.945 -2.968 2.037 1.00 45.25 H new ATOM 0 HD2 PHE A 24 -0.704 -7.049 1.814 1.00 24.33 H new ATOM 0 HE1 PHE A 24 -4.190 -3.693 2.710 1.00 35.34 H new ATOM 0 HE2 PHE A 24 -2.954 -7.765 2.484 1.00 4.33 H new ATOM 0 HZ PHE A 24 -4.700 -6.089 2.939 1.00 33.21 H new ATOM 391 N SER A 25 2.619 -3.237 -0.534 1.00 74.11 N ATOM 392 CA SER A 25 3.867 -2.462 -0.785 1.00 44.32 C ATOM 393 C SER A 25 3.534 -1.168 -1.548 1.00 55.23 C ATOM 394 O SER A 25 3.809 -0.075 -1.063 1.00 41.03 O ATOM 395 CB SER A 25 4.926 -3.277 -1.564 1.00 52.24 C ATOM 396 OG SER A 25 6.111 -2.519 -1.786 1.00 42.55 O ATOM 0 H SER A 25 2.590 -4.152 -0.983 1.00 74.11 H new ATOM 0 HA SER A 25 4.299 -2.221 0.187 1.00 44.32 H new ATOM 0 HB2 SER A 25 5.171 -4.182 -1.008 1.00 52.24 H new ATOM 0 HB3 SER A 25 4.511 -3.593 -2.521 1.00 52.24 H new ATOM 0 HG SER A 25 6.760 -3.063 -2.279 1.00 42.55 H new ATOM 402 N ALA A 26 2.857 -1.323 -2.705 1.00 15.02 N ATOM 403 CA ALA A 26 2.404 -0.196 -3.556 1.00 13.31 C ATOM 404 C ALA A 26 1.397 0.726 -2.830 1.00 43.33 C ATOM 405 O ALA A 26 1.309 1.909 -3.156 1.00 23.24 O ATOM 406 CB ALA A 26 1.785 -0.725 -4.859 1.00 30.21 C ATOM 0 H ALA A 26 2.606 -2.238 -3.080 1.00 15.02 H new ATOM 0 HA ALA A 26 3.286 0.402 -3.786 1.00 13.31 H new ATOM 0 HB1 ALA A 26 1.457 0.114 -5.473 1.00 30.21 H new ATOM 0 HB2 ALA A 26 2.528 -1.306 -5.405 1.00 30.21 H new ATOM 0 HB3 ALA A 26 0.930 -1.359 -4.624 1.00 30.21 H new ATOM 412 N TYR A 27 0.642 0.170 -1.847 1.00 51.12 N ATOM 413 CA TYR A 27 -0.284 0.963 -1.000 1.00 53.50 C ATOM 414 C TYR A 27 0.496 1.959 -0.126 1.00 5.42 C ATOM 415 O TYR A 27 0.211 3.147 -0.134 1.00 34.44 O ATOM 416 CB TYR A 27 -1.122 0.039 -0.085 1.00 71.14 C ATOM 417 CG TYR A 27 -2.050 0.787 0.901 1.00 24.33 C ATOM 418 CD1 TYR A 27 -3.232 1.394 0.463 1.00 4.34 C ATOM 419 CD2 TYR A 27 -1.723 0.912 2.260 1.00 64.34 C ATOM 420 CE1 TYR A 27 -4.043 2.097 1.338 1.00 72.23 C ATOM 421 CE2 TYR A 27 -2.535 1.605 3.130 1.00 50.05 C ATOM 422 CZ TYR A 27 -3.688 2.196 2.667 1.00 33.15 C ATOM 423 OH TYR A 27 -4.486 2.902 3.544 1.00 54.51 O ATOM 0 H TYR A 27 0.657 -0.825 -1.622 1.00 51.12 H new ATOM 0 HA TYR A 27 -0.951 1.510 -1.667 1.00 53.50 H new ATOM 0 HB2 TYR A 27 -1.729 -0.617 -0.709 1.00 71.14 H new ATOM 0 HB3 TYR A 27 -0.446 -0.599 0.484 1.00 71.14 H new ATOM 0 HD1 TYR A 27 -3.517 1.313 -0.576 1.00 4.34 H new ATOM 0 HD2 TYR A 27 -0.817 0.456 2.631 1.00 64.34 H new ATOM 0 HE1 TYR A 27 -4.949 2.565 0.982 1.00 72.23 H new ATOM 0 HE2 TYR A 27 -2.267 1.684 4.173 1.00 50.05 H new ATOM 0 HH TYR A 27 -4.092 2.872 4.441 1.00 54.51 H new ATOM 433 N ARG A 28 1.472 1.435 0.634 1.00 15.51 N ATOM 434 CA ARG A 28 2.306 2.236 1.560 1.00 23.24 C ATOM 435 C ARG A 28 3.270 3.168 0.801 1.00 61.31 C ATOM 436 O ARG A 28 3.695 4.197 1.333 1.00 41.55 O ATOM 437 CB ARG A 28 3.091 1.294 2.500 1.00 23.01 C ATOM 438 CG ARG A 28 2.203 0.384 3.379 1.00 55.35 C ATOM 439 CD ARG A 28 3.030 -0.512 4.313 1.00 65.45 C ATOM 440 NE ARG A 28 3.827 0.298 5.255 1.00 1.12 N ATOM 441 CZ ARG A 28 5.116 0.195 5.473 1.00 53.15 C ATOM 442 NH1 ARG A 28 5.829 -0.711 4.887 1.00 34.12 N ATOM 443 NH2 ARG A 28 5.687 1.031 6.275 1.00 73.21 N ATOM 0 H ARG A 28 1.709 0.443 0.627 1.00 15.51 H new ATOM 0 HA ARG A 28 1.644 2.869 2.151 1.00 23.24 H new ATOM 0 HB2 ARG A 28 3.750 0.667 1.899 1.00 23.01 H new ATOM 0 HB3 ARG A 28 3.728 1.896 3.149 1.00 23.01 H new ATOM 0 HG2 ARG A 28 1.530 1.002 3.974 1.00 55.35 H new ATOM 0 HG3 ARG A 28 1.580 -0.240 2.738 1.00 55.35 H new ATOM 0 HD2 ARG A 28 2.366 -1.174 4.869 1.00 65.45 H new ATOM 0 HD3 ARG A 28 3.692 -1.146 3.723 1.00 65.45 H new ATOM 0 HE ARG A 28 3.326 1.008 5.789 1.00 1.12 H new ATOM 0 HH11 ARG A 28 5.390 -1.365 4.239 1.00 34.12 H new ATOM 0 HH12 ARG A 28 6.830 -0.771 5.073 1.00 34.12 H new ATOM 0 HH21 ARG A 28 5.136 1.759 6.729 1.00 73.21 H new ATOM 0 HH22 ARG A 28 6.689 0.963 6.454 1.00 73.21 H new ATOM 457 N VAL A 29 3.592 2.792 -0.449 1.00 74.43 N ATOM 458 CA VAL A 29 4.428 3.622 -1.352 1.00 43.14 C ATOM 459 C VAL A 29 3.638 4.845 -1.849 1.00 75.32 C ATOM 460 O VAL A 29 4.132 5.976 -1.816 1.00 54.01 O ATOM 461 CB VAL A 29 4.991 2.769 -2.565 1.00 20.34 C ATOM 462 CG1 VAL A 29 5.527 3.644 -3.733 1.00 32.01 C ATOM 463 CG2 VAL A 29 6.088 1.795 -2.070 1.00 15.22 C ATOM 0 H VAL A 29 3.286 1.912 -0.865 1.00 74.43 H new ATOM 0 HA VAL A 29 5.285 3.981 -0.783 1.00 43.14 H new ATOM 0 HB VAL A 29 4.151 2.202 -2.966 1.00 20.34 H new ATOM 0 HG11 VAL A 29 5.897 2.999 -4.530 1.00 32.01 H new ATOM 0 HG12 VAL A 29 4.722 4.271 -4.117 1.00 32.01 H new ATOM 0 HG13 VAL A 29 6.338 4.276 -3.371 1.00 32.01 H new ATOM 0 HG21 VAL A 29 6.467 1.215 -2.912 1.00 15.22 H new ATOM 0 HG22 VAL A 29 6.905 2.363 -1.624 1.00 15.22 H new ATOM 0 HG23 VAL A 29 5.666 1.120 -1.325 1.00 15.22 H new ATOM 473 N LYS A 30 2.395 4.598 -2.278 1.00 63.13 N ATOM 474 CA LYS A 30 1.485 5.664 -2.752 1.00 11.42 C ATOM 475 C LYS A 30 0.847 6.424 -1.561 1.00 72.31 C ATOM 476 O LYS A 30 0.290 7.500 -1.754 1.00 1.31 O ATOM 477 CB LYS A 30 0.378 5.073 -3.665 1.00 53.35 C ATOM 478 CG LYS A 30 -0.788 4.394 -2.915 1.00 45.51 C ATOM 479 CD LYS A 30 -1.837 3.767 -3.856 1.00 31.05 C ATOM 480 CE LYS A 30 -2.435 4.791 -4.836 1.00 54.01 C ATOM 481 NZ LYS A 30 -3.527 4.214 -5.652 1.00 11.54 N ATOM 0 H LYS A 30 1.988 3.663 -2.309 1.00 63.13 H new ATOM 0 HA LYS A 30 2.076 6.373 -3.332 1.00 11.42 H new ATOM 0 HB2 LYS A 30 -0.025 5.872 -4.287 1.00 53.35 H new ATOM 0 HB3 LYS A 30 0.832 4.345 -4.337 1.00 53.35 H new ATOM 0 HG2 LYS A 30 -0.388 3.619 -2.261 1.00 45.51 H new ATOM 0 HG3 LYS A 30 -1.277 5.129 -2.276 1.00 45.51 H new ATOM 0 HD2 LYS A 30 -1.376 2.956 -4.419 1.00 31.05 H new ATOM 0 HD3 LYS A 30 -2.638 3.327 -3.261 1.00 31.05 H new ATOM 0 HE2 LYS A 30 -2.815 5.647 -4.278 1.00 54.01 H new ATOM 0 HE3 LYS A 30 -1.650 5.163 -5.494 1.00 54.01 H new ATOM 0 HZ1 LYS A 30 -3.899 4.940 -6.297 1.00 11.54 H new ATOM 0 HZ2 LYS A 30 -3.161 3.414 -6.206 1.00 11.54 H new ATOM 0 HZ3 LYS A 30 -4.289 3.883 -5.027 1.00 11.54 H new ATOM 495 N ALA A 31 0.903 5.827 -0.345 1.00 61.11 N ATOM 496 CA ALA A 31 0.452 6.487 0.908 1.00 24.53 C ATOM 497 C ALA A 31 1.549 7.407 1.442 1.00 41.43 C ATOM 498 O ALA A 31 1.267 8.398 2.122 1.00 21.51 O ATOM 499 CB ALA A 31 0.067 5.466 1.981 1.00 32.24 C ATOM 0 H ALA A 31 1.259 4.882 -0.204 1.00 61.11 H new ATOM 0 HA ALA A 31 -0.435 7.074 0.669 1.00 24.53 H new ATOM 0 HB1 ALA A 31 -0.257 5.989 2.881 1.00 32.24 H new ATOM 0 HB2 ALA A 31 -0.746 4.840 1.613 1.00 32.24 H new ATOM 0 HB3 ALA A 31 0.929 4.841 2.215 1.00 32.24 H new ATOM 505 N TYR A 32 2.813 7.041 1.145 1.00 70.40 N ATOM 506 CA TYR A 32 3.967 7.921 1.360 1.00 72.43 C ATOM 507 C TYR A 32 3.814 9.167 0.479 1.00 12.24 C ATOM 508 O TYR A 32 3.824 10.269 0.978 1.00 71.34 O ATOM 509 CB TYR A 32 5.304 7.183 1.071 1.00 55.35 C ATOM 510 CG TYR A 32 6.548 8.089 1.160 1.00 13.55 C ATOM 511 CD1 TYR A 32 6.952 8.647 2.379 1.00 2.30 C ATOM 512 CD2 TYR A 32 7.304 8.404 0.024 1.00 25.21 C ATOM 513 CE1 TYR A 32 8.055 9.475 2.455 1.00 33.40 C ATOM 514 CE2 TYR A 32 8.407 9.225 0.102 1.00 33.11 C ATOM 515 CZ TYR A 32 8.776 9.760 1.315 1.00 3.23 C ATOM 516 OH TYR A 32 9.873 10.585 1.391 1.00 3.52 O ATOM 0 H TYR A 32 3.056 6.132 0.752 1.00 70.40 H new ATOM 0 HA TYR A 32 3.997 8.224 2.407 1.00 72.43 H new ATOM 0 HB2 TYR A 32 5.414 6.361 1.778 1.00 55.35 H new ATOM 0 HB3 TYR A 32 5.257 6.743 0.075 1.00 55.35 H new ATOM 0 HD1 TYR A 32 6.391 8.426 3.275 1.00 2.30 H new ATOM 0 HD2 TYR A 32 7.016 7.995 -0.933 1.00 25.21 H new ATOM 0 HE1 TYR A 32 8.351 9.897 3.404 1.00 33.40 H new ATOM 0 HE2 TYR A 32 8.980 9.448 -0.786 1.00 33.11 H new ATOM 0 HH TYR A 32 10.270 10.684 0.501 1.00 3.52 H new ATOM 526 N ASN A 33 3.616 8.940 -0.823 1.00 55.24 N ATOM 527 CA ASN A 33 3.349 10.010 -1.820 1.00 35.21 C ATOM 528 C ASN A 33 2.109 10.855 -1.456 1.00 31.35 C ATOM 529 O ASN A 33 2.134 12.080 -1.576 1.00 60.54 O ATOM 530 CB ASN A 33 3.152 9.400 -3.227 1.00 53.42 C ATOM 531 CG ASN A 33 4.412 8.754 -3.803 1.00 45.12 C ATOM 532 OD1 ASN A 33 5.260 8.248 -3.079 1.00 62.12 O ATOM 533 ND2 ASN A 33 4.549 8.767 -5.113 1.00 73.41 N ATOM 0 H ASN A 33 3.634 8.005 -1.229 1.00 55.24 H new ATOM 0 HA ASN A 33 4.219 10.667 -1.816 1.00 35.21 H new ATOM 0 HB2 ASN A 33 2.361 8.652 -3.181 1.00 53.42 H new ATOM 0 HB3 ASN A 33 2.813 10.181 -3.907 1.00 53.42 H new ATOM 0 HD21 ASN A 33 5.374 8.350 -5.544 1.00 73.41 H new ATOM 0 HD22 ASN A 33 3.830 9.194 -5.697 1.00 73.41 H new ATOM 540 N SER A 34 1.032 10.175 -1.022 1.00 33.21 N ATOM 541 CA SER A 34 -0.241 10.832 -0.634 1.00 51.34 C ATOM 542 C SER A 34 -0.036 11.772 0.569 1.00 13.12 C ATOM 543 O SER A 34 -0.117 12.982 0.420 1.00 74.33 O ATOM 544 CB SER A 34 -1.337 9.785 -0.313 1.00 53.53 C ATOM 545 OG SER A 34 -2.580 10.401 0.001 1.00 73.43 O ATOM 0 H SER A 34 1.014 9.159 -0.929 1.00 33.21 H new ATOM 0 HA SER A 34 -0.573 11.427 -1.485 1.00 51.34 H new ATOM 0 HB2 SER A 34 -1.466 9.120 -1.167 1.00 53.53 H new ATOM 0 HB3 SER A 34 -1.015 9.167 0.526 1.00 53.53 H new ATOM 0 HG SER A 34 -3.247 9.710 0.196 1.00 73.43 H new ATOM 551 N ALA A 35 0.301 11.191 1.735 1.00 73.21 N ATOM 552 CA ALA A 35 0.454 11.940 3.003 1.00 53.53 C ATOM 553 C ALA A 35 1.627 12.949 2.972 1.00 40.21 C ATOM 554 O ALA A 35 1.556 13.987 3.629 1.00 21.10 O ATOM 555 CB ALA A 35 0.615 10.974 4.180 1.00 42.31 C ATOM 0 H ALA A 35 0.475 10.190 1.828 1.00 73.21 H new ATOM 0 HA ALA A 35 -0.458 12.522 3.132 1.00 53.53 H new ATOM 0 HB1 ALA A 35 0.726 11.542 5.104 1.00 42.31 H new ATOM 0 HB2 ALA A 35 -0.266 10.336 4.250 1.00 42.31 H new ATOM 0 HB3 ALA A 35 1.499 10.356 4.025 1.00 42.31 H new ATOM 561 N ALA A 36 2.703 12.637 2.212 1.00 32.53 N ATOM 562 CA ALA A 36 3.863 13.564 2.063 1.00 65.14 C ATOM 563 C ALA A 36 3.481 14.807 1.244 1.00 45.12 C ATOM 564 O ALA A 36 3.532 15.925 1.753 1.00 12.43 O ATOM 565 CB ALA A 36 5.088 12.874 1.435 1.00 51.35 C ATOM 0 H ALA A 36 2.797 11.762 1.696 1.00 32.53 H new ATOM 0 HA ALA A 36 4.139 13.876 3.070 1.00 65.14 H new ATOM 0 HB1 ALA A 36 5.905 13.591 1.348 1.00 51.35 H new ATOM 0 HB2 ALA A 36 5.401 12.042 2.066 1.00 51.35 H new ATOM 0 HB3 ALA A 36 4.827 12.500 0.445 1.00 51.35 H new ATOM 571 N SER A 37 3.063 14.592 -0.015 1.00 45.31 N ATOM 572 CA SER A 37 2.702 15.690 -0.946 1.00 72.33 C ATOM 573 C SER A 37 1.439 16.461 -0.488 1.00 62.55 C ATOM 574 O SER A 37 1.274 17.620 -0.848 1.00 53.32 O ATOM 575 CB SER A 37 2.505 15.143 -2.377 1.00 42.33 C ATOM 576 OG SER A 37 3.691 14.516 -2.857 1.00 4.24 O ATOM 0 H SER A 37 2.964 13.661 -0.420 1.00 45.31 H new ATOM 0 HA SER A 37 3.532 16.397 -0.942 1.00 72.33 H new ATOM 0 HB2 SER A 37 1.683 14.427 -2.385 1.00 42.33 H new ATOM 0 HB3 SER A 37 2.225 15.957 -3.045 1.00 42.33 H new ATOM 0 HG SER A 37 3.655 13.556 -2.663 1.00 4.24 H new ATOM 582 N SER A 38 0.557 15.808 0.301 1.00 24.24 N ATOM 583 CA SER A 38 -0.654 16.459 0.878 1.00 55.05 C ATOM 584 C SER A 38 -0.285 17.362 2.055 1.00 64.03 C ATOM 585 O SER A 38 -0.870 18.429 2.220 1.00 53.35 O ATOM 586 CB SER A 38 -1.706 15.420 1.325 1.00 32.51 C ATOM 587 OG SER A 38 -2.844 16.028 1.924 1.00 61.21 O ATOM 0 H SER A 38 0.657 14.826 0.557 1.00 24.24 H new ATOM 0 HA SER A 38 -1.092 17.069 0.088 1.00 55.05 H new ATOM 0 HB2 SER A 38 -2.022 14.832 0.463 1.00 32.51 H new ATOM 0 HB3 SER A 38 -1.251 14.728 2.034 1.00 32.51 H new ATOM 0 HG SER A 38 -3.483 15.335 2.190 1.00 61.21 H new ATOM 593 N ASP A 39 0.665 16.909 2.881 1.00 31.44 N ATOM 594 CA ASP A 39 1.283 17.744 3.937 1.00 21.11 C ATOM 595 C ASP A 39 1.931 19.006 3.316 1.00 62.12 C ATOM 596 O ASP A 39 1.653 20.133 3.731 1.00 73.44 O ATOM 597 CB ASP A 39 2.355 16.922 4.684 1.00 70.22 C ATOM 598 CG ASP A 39 3.063 17.696 5.810 1.00 35.33 C ATOM 599 OD1 ASP A 39 2.479 17.832 6.905 1.00 14.33 O ATOM 600 OD2 ASP A 39 4.194 18.190 5.600 1.00 74.13 O ATOM 0 H ASP A 39 1.031 15.958 2.843 1.00 31.44 H new ATOM 0 HA ASP A 39 0.509 18.057 4.638 1.00 21.11 H new ATOM 0 HB2 ASP A 39 1.888 16.033 5.106 1.00 70.22 H new ATOM 0 HB3 ASP A 39 3.101 16.580 3.967 1.00 70.22 H new ATOM 605 N LEU A 40 2.760 18.771 2.279 1.00 32.21 N ATOM 606 CA LEU A 40 3.542 19.824 1.598 1.00 44.41 C ATOM 607 C LEU A 40 2.615 20.825 0.889 1.00 71.44 C ATOM 608 O LEU A 40 2.861 22.027 0.911 1.00 40.35 O ATOM 609 CB LEU A 40 4.522 19.181 0.577 1.00 33.00 C ATOM 610 CG LEU A 40 5.619 18.241 1.178 1.00 43.52 C ATOM 611 CD1 LEU A 40 6.432 17.535 0.065 1.00 53.14 C ATOM 612 CD2 LEU A 40 6.547 19.004 2.156 1.00 11.21 C ATOM 0 H LEU A 40 2.907 17.840 1.888 1.00 32.21 H new ATOM 0 HA LEU A 40 4.115 20.367 2.349 1.00 44.41 H new ATOM 0 HB2 LEU A 40 3.939 18.610 -0.146 1.00 33.00 H new ATOM 0 HB3 LEU A 40 5.018 19.980 0.027 1.00 33.00 H new ATOM 0 HG LEU A 40 5.106 17.468 1.750 1.00 43.52 H new ATOM 0 HD11 LEU A 40 7.185 16.890 0.518 1.00 53.14 H new ATOM 0 HD12 LEU A 40 5.762 16.934 -0.550 1.00 53.14 H new ATOM 0 HD13 LEU A 40 6.922 18.283 -0.558 1.00 53.14 H new ATOM 0 HD21 LEU A 40 7.297 18.320 2.554 1.00 11.21 H new ATOM 0 HD22 LEU A 40 7.043 19.818 1.627 1.00 11.21 H new ATOM 0 HD23 LEU A 40 5.955 19.411 2.976 1.00 11.21 H new ATOM 624 N ARG A 41 1.532 20.301 0.288 1.00 53.52 N ATOM 625 CA ARG A 41 0.548 21.106 -0.452 1.00 12.21 C ATOM 626 C ARG A 41 -0.296 21.959 0.516 1.00 2.45 C ATOM 627 O ARG A 41 -0.339 23.171 0.384 1.00 2.21 O ATOM 628 CB ARG A 41 -0.374 20.192 -1.302 1.00 45.32 C ATOM 629 CG ARG A 41 -1.443 20.938 -2.122 1.00 62.23 C ATOM 630 CD ARG A 41 -2.338 19.990 -2.938 1.00 33.34 C ATOM 631 NE ARG A 41 -3.397 20.716 -3.667 1.00 51.35 N ATOM 632 CZ ARG A 41 -4.675 20.395 -3.679 1.00 64.22 C ATOM 633 NH1 ARG A 41 -5.120 19.385 -3.000 1.00 32.43 N ATOM 634 NH2 ARG A 41 -5.502 21.097 -4.375 1.00 14.14 N ATOM 0 H ARG A 41 1.315 19.304 0.303 1.00 53.52 H new ATOM 0 HA ARG A 41 1.090 21.775 -1.121 1.00 12.21 H new ATOM 0 HB2 ARG A 41 0.245 19.608 -1.983 1.00 45.32 H new ATOM 0 HB3 ARG A 41 -0.873 19.485 -0.639 1.00 45.32 H new ATOM 0 HG2 ARG A 41 -2.065 21.527 -1.448 1.00 62.23 H new ATOM 0 HG3 ARG A 41 -0.952 21.639 -2.798 1.00 62.23 H new ATOM 0 HD2 ARG A 41 -1.725 19.435 -3.648 1.00 33.34 H new ATOM 0 HD3 ARG A 41 -2.794 19.259 -2.271 1.00 33.34 H new ATOM 0 HE ARG A 41 -3.116 21.535 -4.207 1.00 51.35 H new ATOM 0 HH11 ARG A 41 -4.477 18.822 -2.443 1.00 32.43 H new ATOM 0 HH12 ARG A 41 -6.113 19.153 -3.023 1.00 32.43 H new ATOM 0 HH21 ARG A 41 -5.166 21.896 -4.913 1.00 14.14 H new ATOM 0 HH22 ARG A 41 -6.492 20.853 -4.388 1.00 14.14 H new ATOM 648 N ASN A 42 -0.920 21.294 1.509 1.00 0.01 N ATOM 649 CA ASN A 42 -1.860 21.927 2.474 1.00 70.00 C ATOM 650 C ASN A 42 -1.207 23.097 3.251 1.00 11.43 C ATOM 651 O ASN A 42 -1.817 24.157 3.419 1.00 24.44 O ATOM 652 CB ASN A 42 -2.397 20.840 3.450 1.00 53.51 C ATOM 653 CG ASN A 42 -3.470 21.310 4.444 1.00 33.43 C ATOM 654 OD1 ASN A 42 -3.565 20.796 5.552 1.00 1.05 O ATOM 655 ND2 ASN A 42 -4.311 22.254 4.059 1.00 14.52 N ATOM 0 H ASN A 42 -0.789 20.295 1.670 1.00 0.01 H new ATOM 0 HA ASN A 42 -2.689 22.358 1.912 1.00 70.00 H new ATOM 0 HB2 ASN A 42 -2.808 20.020 2.861 1.00 53.51 H new ATOM 0 HB3 ASN A 42 -1.556 20.437 4.015 1.00 53.51 H new ATOM 0 HD21 ASN A 42 -5.052 22.564 4.688 1.00 14.52 H new ATOM 0 HD22 ASN A 42 -4.219 22.672 3.133 1.00 14.52 H new ATOM 662 N LEU A 43 0.057 22.903 3.674 1.00 70.23 N ATOM 663 CA LEU A 43 0.816 23.921 4.435 1.00 1.23 C ATOM 664 C LEU A 43 1.234 25.098 3.525 1.00 54.32 C ATOM 665 O LEU A 43 1.015 26.263 3.870 1.00 13.20 O ATOM 666 CB LEU A 43 2.063 23.277 5.100 1.00 33.32 C ATOM 667 CG LEU A 43 1.769 22.233 6.228 1.00 0.40 C ATOM 668 CD1 LEU A 43 3.062 21.531 6.700 1.00 34.24 C ATOM 669 CD2 LEU A 43 1.021 22.884 7.422 1.00 22.10 C ATOM 0 H LEU A 43 0.580 22.044 3.501 1.00 70.23 H new ATOM 0 HA LEU A 43 0.167 24.316 5.216 1.00 1.23 H new ATOM 0 HB2 LEU A 43 2.654 22.790 4.325 1.00 33.32 H new ATOM 0 HB3 LEU A 43 2.680 24.072 5.519 1.00 33.32 H new ATOM 0 HG LEU A 43 1.116 21.472 5.802 1.00 0.40 H new ATOM 0 HD11 LEU A 43 2.821 20.813 7.484 1.00 34.24 H new ATOM 0 HD12 LEU A 43 3.521 21.011 5.859 1.00 34.24 H new ATOM 0 HD13 LEU A 43 3.758 22.274 7.090 1.00 34.24 H new ATOM 0 HD21 LEU A 43 0.833 22.131 8.187 1.00 22.10 H new ATOM 0 HD22 LEU A 43 1.632 23.683 7.842 1.00 22.10 H new ATOM 0 HD23 LEU A 43 0.073 23.295 7.077 1.00 22.10 H new ATOM 681 N LYS A 44 1.786 24.766 2.339 1.00 45.25 N ATOM 682 CA LYS A 44 2.363 25.755 1.400 1.00 45.23 C ATOM 683 C LYS A 44 1.269 26.663 0.817 1.00 5.43 C ATOM 684 O LYS A 44 1.406 27.879 0.788 1.00 41.43 O ATOM 685 CB LYS A 44 3.085 25.016 0.251 1.00 35.45 C ATOM 686 CG LYS A 44 3.720 25.928 -0.830 1.00 62.43 C ATOM 687 CD LYS A 44 4.244 25.138 -2.055 1.00 73.43 C ATOM 688 CE LYS A 44 3.118 24.424 -2.824 1.00 71.41 C ATOM 689 NZ LYS A 44 3.637 23.667 -3.990 1.00 1.52 N ATOM 0 H LYS A 44 1.845 23.804 2.004 1.00 45.25 H new ATOM 0 HA LYS A 44 3.073 26.376 1.947 1.00 45.23 H new ATOM 0 HB2 LYS A 44 3.868 24.390 0.679 1.00 35.45 H new ATOM 0 HB3 LYS A 44 2.372 24.349 -0.234 1.00 35.45 H new ATOM 0 HG2 LYS A 44 2.981 26.656 -1.163 1.00 62.43 H new ATOM 0 HG3 LYS A 44 4.543 26.489 -0.387 1.00 62.43 H new ATOM 0 HD2 LYS A 44 4.763 25.821 -2.728 1.00 73.43 H new ATOM 0 HD3 LYS A 44 4.975 24.402 -1.722 1.00 73.43 H new ATOM 0 HE2 LYS A 44 2.595 23.743 -2.153 1.00 71.41 H new ATOM 0 HE3 LYS A 44 2.388 25.159 -3.164 1.00 71.41 H new ATOM 0 HZ1 LYS A 44 2.847 23.201 -4.481 1.00 1.52 H new ATOM 0 HZ2 LYS A 44 4.114 24.320 -4.644 1.00 1.52 H new ATOM 0 HZ3 LYS A 44 4.314 22.948 -3.664 1.00 1.52 H new ATOM 703 N THR A 45 0.174 26.026 0.386 1.00 72.13 N ATOM 704 CA THR A 45 -0.931 26.694 -0.321 1.00 52.22 C ATOM 705 C THR A 45 -1.748 27.588 0.632 1.00 62.24 C ATOM 706 O THR A 45 -2.242 28.641 0.233 1.00 23.12 O ATOM 707 CB THR A 45 -1.853 25.659 -1.042 1.00 14.13 C ATOM 708 OG1 THR A 45 -2.562 26.287 -2.132 1.00 34.20 O ATOM 709 CG2 THR A 45 -2.874 24.989 -0.104 1.00 72.24 C ATOM 0 H THR A 45 0.026 25.025 0.518 1.00 72.13 H new ATOM 0 HA THR A 45 -0.489 27.335 -1.083 1.00 52.22 H new ATOM 0 HB THR A 45 -1.189 24.879 -1.414 1.00 14.13 H new ATOM 0 HG1 THR A 45 -3.134 25.626 -2.574 1.00 34.20 H new ATOM 0 HG21 THR A 45 -3.480 24.283 -0.671 1.00 72.24 H new ATOM 0 HG22 THR A 45 -2.346 24.459 0.689 1.00 72.24 H new ATOM 0 HG23 THR A 45 -3.519 25.750 0.335 1.00 72.24 H new ATOM 717 N ALA A 46 -1.863 27.145 1.902 1.00 71.31 N ATOM 718 CA ALA A 46 -2.546 27.914 2.959 1.00 3.11 C ATOM 719 C ALA A 46 -1.735 29.177 3.318 1.00 71.52 C ATOM 720 O ALA A 46 -2.300 30.263 3.450 1.00 11.15 O ATOM 721 CB ALA A 46 -2.791 27.049 4.207 1.00 50.25 C ATOM 0 H ALA A 46 -1.488 26.251 2.220 1.00 71.31 H new ATOM 0 HA ALA A 46 -3.518 28.225 2.575 1.00 3.11 H new ATOM 0 HB1 ALA A 46 -3.296 27.644 4.968 1.00 50.25 H new ATOM 0 HB2 ALA A 46 -3.414 26.195 3.941 1.00 50.25 H new ATOM 0 HB3 ALA A 46 -1.837 26.695 4.597 1.00 50.25 H new ATOM 727 N LEU A 47 -0.393 29.021 3.435 1.00 33.04 N ATOM 728 CA LEU A 47 0.508 30.126 3.836 1.00 63.11 C ATOM 729 C LEU A 47 0.739 31.124 2.674 1.00 11.34 C ATOM 730 O LEU A 47 0.911 32.316 2.921 1.00 74.12 O ATOM 731 CB LEU A 47 1.849 29.567 4.439 1.00 33.13 C ATOM 732 CG LEU A 47 2.987 29.067 3.470 1.00 74.40 C ATOM 733 CD1 LEU A 47 3.881 30.225 2.948 1.00 1.54 C ATOM 734 CD2 LEU A 47 3.851 27.978 4.140 1.00 73.44 C ATOM 0 H LEU A 47 0.088 28.139 3.257 1.00 33.04 H new ATOM 0 HA LEU A 47 0.020 30.694 4.628 1.00 63.11 H new ATOM 0 HB2 LEU A 47 2.275 30.349 5.067 1.00 33.13 H new ATOM 0 HB3 LEU A 47 1.591 28.736 5.095 1.00 33.13 H new ATOM 0 HG LEU A 47 2.485 28.634 2.605 1.00 74.40 H new ATOM 0 HD11 LEU A 47 4.647 29.823 2.285 1.00 1.54 H new ATOM 0 HD12 LEU A 47 3.267 30.940 2.401 1.00 1.54 H new ATOM 0 HD13 LEU A 47 4.357 30.726 3.791 1.00 1.54 H new ATOM 0 HD21 LEU A 47 4.627 27.653 3.448 1.00 73.44 H new ATOM 0 HD22 LEU A 47 4.314 28.383 5.040 1.00 73.44 H new ATOM 0 HD23 LEU A 47 3.223 27.128 4.406 1.00 73.44 H new ATOM 746 N GLU A 48 0.750 30.631 1.411 1.00 40.22 N ATOM 747 CA GLU A 48 1.002 31.493 0.223 1.00 33.23 C ATOM 748 C GLU A 48 -0.258 32.296 -0.165 1.00 13.21 C ATOM 749 O GLU A 48 -0.151 33.437 -0.608 1.00 23.33 O ATOM 750 CB GLU A 48 1.519 30.669 -0.991 1.00 32.32 C ATOM 751 CG GLU A 48 0.469 29.781 -1.688 1.00 43.34 C ATOM 752 CD GLU A 48 1.010 29.035 -2.921 1.00 4.32 C ATOM 753 OE1 GLU A 48 1.001 29.617 -4.028 1.00 53.05 O ATOM 754 OE2 GLU A 48 1.455 27.874 -2.791 1.00 44.54 O ATOM 0 H GLU A 48 0.589 29.649 1.187 1.00 40.22 H new ATOM 0 HA GLU A 48 1.785 32.198 0.503 1.00 33.23 H new ATOM 0 HB2 GLU A 48 1.931 31.359 -1.727 1.00 32.32 H new ATOM 0 HB3 GLU A 48 2.339 30.035 -0.654 1.00 32.32 H new ATOM 0 HG2 GLU A 48 0.089 29.053 -0.972 1.00 43.34 H new ATOM 0 HG3 GLU A 48 -0.375 30.401 -1.991 1.00 43.34 H new ATOM 761 N SER A 49 -1.446 31.676 -0.006 1.00 1.03 N ATOM 762 CA SER A 49 -2.750 32.361 -0.197 1.00 61.01 C ATOM 763 C SER A 49 -2.975 33.403 0.915 1.00 12.32 C ATOM 764 O SER A 49 -3.550 34.472 0.677 1.00 20.30 O ATOM 765 CB SER A 49 -3.916 31.345 -0.215 1.00 74.53 C ATOM 766 OG SER A 49 -3.804 30.447 -1.313 1.00 70.14 O ATOM 0 H SER A 49 -1.533 30.694 0.256 1.00 1.03 H new ATOM 0 HA SER A 49 -2.725 32.869 -1.161 1.00 61.01 H new ATOM 0 HB2 SER A 49 -3.925 30.782 0.718 1.00 74.53 H new ATOM 0 HB3 SER A 49 -4.865 31.878 -0.274 1.00 74.53 H new ATOM 0 HG SER A 49 -3.271 29.669 -1.046 1.00 70.14 H new ATOM 772 N ALA A 50 -2.493 33.068 2.126 1.00 50.01 N ATOM 773 CA ALA A 50 -2.474 33.992 3.274 1.00 73.52 C ATOM 774 C ALA A 50 -1.520 35.175 3.005 1.00 45.53 C ATOM 775 O ALA A 50 -1.858 36.312 3.281 1.00 24.12 O ATOM 776 CB ALA A 50 -2.057 33.246 4.547 1.00 41.11 C ATOM 0 H ALA A 50 -2.106 32.148 2.336 1.00 50.01 H new ATOM 0 HA ALA A 50 -3.479 34.390 3.415 1.00 73.52 H new ATOM 0 HB1 ALA A 50 -2.047 33.939 5.388 1.00 41.11 H new ATOM 0 HB2 ALA A 50 -2.767 32.443 4.747 1.00 41.11 H new ATOM 0 HB3 ALA A 50 -1.061 32.825 4.412 1.00 41.11 H new ATOM 782 N PHE A 51 -0.335 34.867 2.437 1.00 63.25 N ATOM 783 CA PHE A 51 0.697 35.872 2.086 1.00 31.22 C ATOM 784 C PHE A 51 0.261 36.733 0.873 1.00 33.42 C ATOM 785 O PHE A 51 0.685 37.884 0.740 1.00 74.31 O ATOM 786 CB PHE A 51 2.055 35.167 1.803 1.00 72.13 C ATOM 787 CG PHE A 51 3.240 36.125 1.639 1.00 14.33 C ATOM 788 CD1 PHE A 51 3.784 36.773 2.748 1.00 52.23 C ATOM 789 CD2 PHE A 51 3.802 36.384 0.387 1.00 14.41 C ATOM 790 CE1 PHE A 51 4.848 37.644 2.609 1.00 21.11 C ATOM 791 CE2 PHE A 51 4.866 37.255 0.250 1.00 23.13 C ATOM 792 CZ PHE A 51 5.388 37.885 1.362 1.00 62.34 C ATOM 0 H PHE A 51 -0.064 33.911 2.207 1.00 63.25 H new ATOM 0 HA PHE A 51 0.819 36.544 2.936 1.00 31.22 H new ATOM 0 HB2 PHE A 51 2.270 34.478 2.619 1.00 72.13 H new ATOM 0 HB3 PHE A 51 1.959 34.568 0.897 1.00 72.13 H new ATOM 0 HD1 PHE A 51 3.368 36.592 3.728 1.00 52.23 H new ATOM 0 HD2 PHE A 51 3.399 35.896 -0.488 1.00 14.41 H new ATOM 0 HE1 PHE A 51 5.258 38.137 3.478 1.00 21.11 H new ATOM 0 HE2 PHE A 51 5.289 37.443 -0.726 1.00 23.13 H new ATOM 0 HZ PHE A 51 6.219 38.567 1.256 1.00 62.34 H new ATOM 802 N ALA A 52 -0.603 36.165 0.016 1.00 45.03 N ATOM 803 CA ALA A 52 -1.153 36.858 -1.177 1.00 72.21 C ATOM 804 C ALA A 52 -2.135 37.977 -0.762 1.00 4.54 C ATOM 805 O ALA A 52 -2.157 39.056 -1.364 1.00 72.45 O ATOM 806 CB ALA A 52 -1.840 35.839 -2.107 1.00 71.23 C ATOM 0 H ALA A 52 -0.945 35.210 0.125 1.00 45.03 H new ATOM 0 HA ALA A 52 -0.331 37.325 -1.719 1.00 72.21 H new ATOM 0 HB1 ALA A 52 -2.241 36.355 -2.979 1.00 71.23 H new ATOM 0 HB2 ALA A 52 -1.114 35.093 -2.429 1.00 71.23 H new ATOM 0 HB3 ALA A 52 -2.652 35.348 -1.571 1.00 71.23 H new ATOM 812 N ASP A 53 -2.931 37.706 0.285 1.00 44.34 N ATOM 813 CA ASP A 53 -3.896 38.678 0.848 1.00 1.12 C ATOM 814 C ASP A 53 -3.285 39.440 2.065 1.00 23.32 C ATOM 815 O ASP A 53 -3.877 40.413 2.543 1.00 42.14 O ATOM 816 CB ASP A 53 -5.192 37.919 1.253 1.00 34.40 C ATOM 817 CG ASP A 53 -6.380 38.856 1.533 1.00 54.31 C ATOM 818 OD1 ASP A 53 -6.965 39.379 0.560 1.00 35.22 O ATOM 819 OD2 ASP A 53 -6.728 39.084 2.714 1.00 43.52 O ATOM 0 H ASP A 53 -2.927 36.808 0.769 1.00 44.34 H new ATOM 0 HA ASP A 53 -4.136 39.427 0.094 1.00 1.12 H new ATOM 0 HB2 ASP A 53 -5.464 37.226 0.457 1.00 34.40 H new ATOM 0 HB3 ASP A 53 -4.992 37.320 2.142 1.00 34.40 H new ATOM 824 N ASP A 54 -2.083 38.977 2.512 1.00 14.24 N ATOM 825 CA ASP A 54 -1.356 39.434 3.726 1.00 73.21 C ATOM 826 C ASP A 54 -2.010 38.849 5.026 1.00 60.43 C ATOM 827 O ASP A 54 -3.229 38.943 5.224 1.00 54.02 O ATOM 828 CB ASP A 54 -1.206 40.980 3.785 1.00 10.20 C ATOM 829 CG ASP A 54 -0.226 41.433 4.869 1.00 4.40 C ATOM 830 OD1 ASP A 54 -0.640 41.605 6.029 1.00 70.05 O ATOM 831 OD2 ASP A 54 0.978 41.570 4.579 1.00 51.33 O ATOM 0 H ASP A 54 -1.576 38.245 2.014 1.00 14.24 H new ATOM 0 HA ASP A 54 -0.342 39.040 3.663 1.00 73.21 H new ATOM 0 HB2 ASP A 54 -0.866 41.346 2.816 1.00 10.20 H new ATOM 0 HB3 ASP A 54 -2.181 41.430 3.971 1.00 10.20 H new ATOM 836 N GLN A 55 -1.163 38.262 5.912 1.00 42.33 N ATOM 837 CA GLN A 55 -1.609 37.490 7.109 1.00 3.14 C ATOM 838 C GLN A 55 -2.231 38.359 8.233 1.00 4.42 C ATOM 839 O GLN A 55 -2.649 37.818 9.259 1.00 24.23 O ATOM 840 CB GLN A 55 -0.434 36.632 7.696 1.00 62.22 C ATOM 841 CG GLN A 55 0.014 35.426 6.824 1.00 44.41 C ATOM 842 CD GLN A 55 1.066 35.734 5.749 1.00 32.32 C ATOM 843 OE1 GLN A 55 1.167 36.837 5.239 1.00 12.54 O ATOM 844 NE2 GLN A 55 1.844 34.736 5.374 1.00 0.13 N ATOM 0 H GLN A 55 -0.148 38.309 5.818 1.00 42.33 H new ATOM 0 HA GLN A 55 -2.403 36.838 6.744 1.00 3.14 H new ATOM 0 HB2 GLN A 55 0.425 37.284 7.853 1.00 62.22 H new ATOM 0 HB3 GLN A 55 -0.734 36.259 8.675 1.00 62.22 H new ATOM 0 HG2 GLN A 55 0.410 34.653 7.482 1.00 44.41 H new ATOM 0 HG3 GLN A 55 -0.866 35.008 6.335 1.00 44.41 H new ATOM 0 HE21 GLN A 55 1.745 33.820 5.812 1.00 0.13 H new ATOM 0 HE22 GLN A 55 2.544 34.881 4.646 1.00 0.13 H new ATOM 853 N THR A 56 -2.283 39.689 8.054 1.00 74.14 N ATOM 854 CA THR A 56 -2.982 40.595 9.008 1.00 44.35 C ATOM 855 C THR A 56 -4.511 40.324 9.014 1.00 15.42 C ATOM 856 O THR A 56 -5.155 40.354 10.073 1.00 34.50 O ATOM 857 CB THR A 56 -2.701 42.108 8.692 1.00 41.15 C ATOM 858 OG1 THR A 56 -1.288 42.370 8.778 1.00 44.45 O ATOM 859 CG2 THR A 56 -3.439 43.074 9.643 1.00 3.13 C ATOM 0 H THR A 56 -1.854 40.169 7.263 1.00 74.14 H new ATOM 0 HA THR A 56 -2.583 40.381 10.000 1.00 44.35 H new ATOM 0 HB THR A 56 -3.074 42.286 7.684 1.00 41.15 H new ATOM 0 HG1 THR A 56 -0.864 42.166 7.918 1.00 44.45 H new ATOM 0 HG21 THR A 56 -3.203 44.103 9.372 1.00 3.13 H new ATOM 0 HG22 THR A 56 -4.514 42.915 9.561 1.00 3.13 H new ATOM 0 HG23 THR A 56 -3.122 42.888 10.669 1.00 3.13 H new ATOM 867 N TYR A 57 -5.080 40.039 7.827 1.00 71.22 N ATOM 868 CA TYR A 57 -6.508 39.669 7.696 1.00 13.34 C ATOM 869 C TYR A 57 -6.685 38.123 7.772 1.00 74.13 C ATOM 870 O TYR A 57 -6.083 37.397 6.974 1.00 33.11 O ATOM 871 CB TYR A 57 -7.080 40.209 6.355 1.00 22.13 C ATOM 872 CG TYR A 57 -8.602 40.014 6.195 1.00 72.52 C ATOM 873 CD1 TYR A 57 -9.492 40.706 7.018 1.00 1.34 C ATOM 874 CD2 TYR A 57 -9.150 39.131 5.253 1.00 54.54 C ATOM 875 CE1 TYR A 57 -10.855 40.535 6.904 1.00 35.33 C ATOM 876 CE2 TYR A 57 -10.516 38.957 5.142 1.00 5.11 C ATOM 877 CZ TYR A 57 -11.360 39.661 5.973 1.00 70.22 C ATOM 878 OH TYR A 57 -12.718 39.494 5.868 1.00 1.54 O ATOM 0 H TYR A 57 -4.574 40.057 6.942 1.00 71.22 H new ATOM 0 HA TYR A 57 -7.058 40.119 8.522 1.00 13.34 H new ATOM 0 HB2 TYR A 57 -6.851 41.272 6.276 1.00 22.13 H new ATOM 0 HB3 TYR A 57 -6.572 39.711 5.529 1.00 22.13 H new ATOM 0 HD1 TYR A 57 -9.105 41.389 7.759 1.00 1.34 H new ATOM 0 HD2 TYR A 57 -8.491 38.576 4.602 1.00 54.54 H new ATOM 0 HE1 TYR A 57 -11.525 41.088 7.546 1.00 35.33 H new ATOM 0 HE2 TYR A 57 -10.919 38.274 4.409 1.00 5.11 H new ATOM 0 HH TYR A 57 -12.914 38.843 5.162 1.00 1.54 H new ATOM 888 N PRO A 58 -7.474 37.589 8.759 1.00 34.12 N ATOM 889 CA PRO A 58 -7.877 36.159 8.775 1.00 13.21 C ATOM 890 C PRO A 58 -9.155 35.871 7.916 1.00 51.52 C ATOM 891 O PRO A 58 -10.023 36.745 7.779 1.00 0.12 O ATOM 892 CB PRO A 58 -8.141 35.918 10.281 1.00 30.33 C ATOM 893 CG PRO A 58 -8.681 37.231 10.776 1.00 53.54 C ATOM 894 CD PRO A 58 -7.979 38.312 9.964 1.00 25.11 C ATOM 0 HA PRO A 58 -7.124 35.503 8.339 1.00 13.21 H new ATOM 0 HB2 PRO A 58 -8.856 35.110 10.436 1.00 30.33 H new ATOM 0 HB3 PRO A 58 -7.227 35.640 10.806 1.00 30.33 H new ATOM 0 HG2 PRO A 58 -9.761 37.283 10.642 1.00 53.54 H new ATOM 0 HG3 PRO A 58 -8.486 37.356 11.841 1.00 53.54 H new ATOM 0 HD2 PRO A 58 -8.665 39.114 9.690 1.00 25.11 H new ATOM 0 HD3 PRO A 58 -7.164 38.768 10.527 1.00 25.11 H new ATOM 902 N PRO A 59 -9.277 34.643 7.298 1.00 22.30 N ATOM 903 CA PRO A 59 -10.550 34.172 6.665 1.00 1.42 C ATOM 904 C PRO A 59 -11.726 34.084 7.685 1.00 2.34 C ATOM 905 O PRO A 59 -11.489 33.914 8.888 1.00 62.22 O ATOM 906 CB PRO A 59 -10.175 32.765 6.103 1.00 31.41 C ATOM 907 CG PRO A 59 -8.682 32.805 5.956 1.00 40.41 C ATOM 908 CD PRO A 59 -8.186 33.646 7.114 1.00 31.25 C ATOM 0 HA PRO A 59 -10.909 34.859 5.899 1.00 1.42 H new ATOM 0 HB2 PRO A 59 -10.486 31.971 6.782 1.00 31.41 H new ATOM 0 HB3 PRO A 59 -10.663 32.576 5.147 1.00 31.41 H new ATOM 0 HG2 PRO A 59 -8.257 31.802 5.989 1.00 40.41 H new ATOM 0 HG3 PRO A 59 -8.393 33.243 5.000 1.00 40.41 H new ATOM 0 HD2 PRO A 59 -8.032 33.046 8.011 1.00 31.25 H new ATOM 0 HD3 PRO A 59 -7.235 34.127 6.885 1.00 31.25 H new ATOM 916 N GLU A 60 -12.978 34.198 7.195 1.00 24.12 N ATOM 917 CA GLU A 60 -14.189 34.212 8.054 1.00 44.53 C ATOM 918 C GLU A 60 -14.342 32.892 8.868 1.00 74.00 C ATOM 919 O GLU A 60 -14.631 31.837 8.301 1.00 53.32 O ATOM 920 CB GLU A 60 -15.444 34.456 7.177 1.00 62.12 C ATOM 921 CG GLU A 60 -16.768 34.566 7.961 1.00 42.42 C ATOM 922 CD GLU A 60 -17.981 34.885 7.074 1.00 30.42 C ATOM 923 OE1 GLU A 60 -18.503 33.967 6.408 1.00 11.45 O ATOM 924 OE2 GLU A 60 -18.404 36.055 7.014 1.00 33.15 O ATOM 0 H GLU A 60 -13.181 34.283 6.199 1.00 24.12 H new ATOM 0 HA GLU A 60 -14.082 35.023 8.775 1.00 44.53 H new ATOM 0 HB2 GLU A 60 -15.299 35.373 6.606 1.00 62.12 H new ATOM 0 HB3 GLU A 60 -15.531 33.642 6.457 1.00 62.12 H new ATOM 0 HG2 GLU A 60 -16.949 33.628 8.486 1.00 42.42 H new ATOM 0 HG3 GLU A 60 -16.668 35.342 8.720 1.00 42.42 H new ATOM 931 N SER A 61 -14.104 32.975 10.193 1.00 11.45 N ATOM 932 CA SER A 61 -14.268 31.835 11.134 1.00 44.20 C ATOM 933 C SER A 61 -14.500 32.360 12.583 1.00 11.22 C ATOM 934 O SER A 61 -13.511 32.657 13.293 1.00 72.33 O ATOM 935 CB SER A 61 -13.032 30.890 11.076 1.00 61.12 C ATOM 936 OG SER A 61 -13.203 29.771 11.933 1.00 23.43 O ATOM 937 OXT SER A 61 -15.672 32.500 12.997 1.00 39.53 O ATOM 0 H SER A 61 -13.792 33.834 10.647 1.00 11.45 H new ATOM 0 HA SER A 61 -15.143 31.260 10.833 1.00 44.20 H new ATOM 0 HB2 SER A 61 -12.880 30.548 10.052 1.00 61.12 H new ATOM 0 HB3 SER A 61 -12.136 31.440 11.365 1.00 61.12 H new ATOM 0 HG SER A 61 -12.414 29.193 11.877 1.00 23.43 H new TER 943 SER A 61