USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc= -1.1 K(o=-1.4,f=0.98) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.255 USER MOD Single : A 3 ASN : amide:sc= -0.184 K(o=-0.18,f=-6.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 14 MET CE :methyl -171:sc= -0.886 (180deg=-0.991) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.0354 (180deg=-0.262) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.109 (180deg=-0.762) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.01 X(o=0.01,f=-0.18) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0113 (180deg=-0.165) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -41:sc= 1.12 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0565 (180deg=-0.347) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 60 MET CE :methyl -147:sc= 0 (180deg=-0.167) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 16.943 -22.292 14.232 1.00 41.11 N ATOM 2 CA PRO A 1 15.867 -21.986 13.285 1.00 34.40 C ATOM 3 C PRO A 1 16.140 -22.549 11.895 1.00 64.54 C ATOM 4 O PRO A 1 17.104 -23.288 11.693 1.00 62.24 O ATOM 5 CB PRO A 1 15.850 -20.456 13.249 1.00 71.25 C ATOM 6 CG PRO A 1 17.232 -20.053 13.632 1.00 31.11 C ATOM 7 CD PRO A 1 17.711 -21.093 14.607 1.00 12.33 C ATOM 0 H2 PRO A 1 17.572 -22.981 13.819 1.00 41.11 H new ATOM 0 H3 PRO A 1 16.546 -22.715 15.071 1.00 41.11 H new ATOM 0 HA PRO A 1 14.919 -22.429 13.589 1.00 34.40 H new ATOM 0 HB2 PRO A 1 15.590 -20.086 12.257 1.00 71.25 H new ATOM 0 HB3 PRO A 1 15.113 -20.052 13.943 1.00 71.25 H new ATOM 0 HG2 PRO A 1 17.882 -20.009 12.758 1.00 31.11 H new ATOM 0 HG3 PRO A 1 17.238 -19.061 14.085 1.00 31.11 H new ATOM 0 HD2 PRO A 1 18.785 -21.260 14.521 1.00 12.33 H new ATOM 0 HD3 PRO A 1 17.516 -20.797 15.638 1.00 12.33 H new ATOM 15 N ARG A 2 15.287 -22.195 10.939 1.00 20.43 N ATOM 16 CA ARG A 2 15.437 -22.666 9.568 1.00 62.52 C ATOM 17 C ARG A 2 16.062 -21.588 8.688 1.00 43.11 C ATOM 18 O ARG A 2 15.403 -20.619 8.313 1.00 33.51 O ATOM 19 CB ARG A 2 14.080 -23.082 8.997 1.00 10.11 C ATOM 20 CG ARG A 2 13.751 -24.550 9.216 1.00 51.44 C ATOM 21 CD ARG A 2 12.797 -25.071 8.152 1.00 43.01 C ATOM 22 NE ARG A 2 12.449 -26.473 8.368 1.00 4.24 N ATOM 23 CZ ARG A 2 11.635 -27.159 7.574 1.00 24.11 C ATOM 24 NH1 ARG A 2 11.089 -26.576 6.516 1.00 12.13 N ATOM 25 NH2 ARG A 2 11.367 -28.432 7.837 1.00 2.31 N ATOM 0 H ARG A 2 14.485 -21.583 11.089 1.00 20.43 H new ATOM 0 HA ARG A 2 16.100 -23.531 9.579 1.00 62.52 H new ATOM 0 HB2 ARG A 2 13.301 -22.472 9.454 1.00 10.11 H new ATOM 0 HB3 ARG A 2 14.065 -22.871 7.928 1.00 10.11 H new ATOM 0 HG2 ARG A 2 14.670 -25.136 9.201 1.00 51.44 H new ATOM 0 HG3 ARG A 2 13.305 -24.681 10.202 1.00 51.44 H new ATOM 0 HD2 ARG A 2 11.889 -24.468 8.153 1.00 43.01 H new ATOM 0 HD3 ARG A 2 13.254 -24.958 7.169 1.00 43.01 H new ATOM 0 HE ARG A 2 12.853 -26.951 9.173 1.00 4.24 H new ATOM 0 HH11 ARG A 2 11.294 -25.598 6.310 1.00 12.13 H new ATOM 0 HH12 ARG A 2 10.464 -27.105 5.908 1.00 12.13 H new ATOM 0 HH21 ARG A 2 11.786 -28.884 8.649 1.00 2.31 H new ATOM 0 HH22 ARG A 2 10.742 -28.958 7.227 1.00 2.31 H new ATOM 39 N ASN A 3 17.339 -21.763 8.363 1.00 61.22 N ATOM 40 CA ASN A 3 18.054 -20.804 7.528 1.00 72.40 C ATOM 41 C ASN A 3 18.301 -21.374 6.134 1.00 34.24 C ATOM 42 O ASN A 3 19.096 -22.298 5.961 1.00 72.44 O ATOM 43 CB ASN A 3 19.385 -20.423 8.178 1.00 22.35 C ATOM 44 CG ASN A 3 20.094 -19.308 7.434 1.00 62.50 C ATOM 45 OD1 ASN A 3 19.494 -18.615 6.613 1.00 75.32 O ATOM 46 ND2 ASN A 3 21.379 -19.131 7.718 1.00 22.24 N ATOM 0 H ASN A 3 17.900 -22.560 8.665 1.00 61.22 H new ATOM 0 HA ASN A 3 17.435 -19.912 7.432 1.00 72.40 H new ATOM 0 HB2 ASN A 3 19.208 -20.113 9.208 1.00 22.35 H new ATOM 0 HB3 ASN A 3 20.032 -21.300 8.216 1.00 22.35 H new ATOM 0 HD21 ASN A 3 21.909 -18.397 7.248 1.00 22.24 H new ATOM 0 HD22 ASN A 3 21.836 -19.729 8.406 1.00 22.24 H new ATOM 53 N THR A 4 17.613 -20.816 5.142 1.00 25.15 N ATOM 54 CA THR A 4 17.757 -21.268 3.764 1.00 31.04 C ATOM 55 C THR A 4 19.091 -20.824 3.176 1.00 23.02 C ATOM 56 O THR A 4 19.590 -21.422 2.222 1.00 15.32 O ATOM 57 CB THR A 4 16.615 -20.737 2.877 1.00 5.51 C ATOM 58 OG1 THR A 4 16.668 -19.307 2.815 1.00 3.11 O ATOM 59 CG2 THR A 4 15.262 -21.176 3.415 1.00 22.22 C ATOM 0 H THR A 4 16.951 -20.050 5.268 1.00 25.15 H new ATOM 0 HA THR A 4 17.716 -22.357 3.783 1.00 31.04 H new ATOM 0 HB THR A 4 16.741 -21.149 1.876 1.00 5.51 H new ATOM 0 HG1 THR A 4 15.940 -18.977 2.248 1.00 3.11 H new ATOM 0 HG21 THR A 4 14.472 -20.789 2.772 1.00 22.22 H new ATOM 0 HG22 THR A 4 15.214 -22.265 3.434 1.00 22.22 H new ATOM 0 HG23 THR A 4 15.129 -20.789 4.426 1.00 22.22 H new ATOM 67 N ARG A 5 19.666 -19.773 3.752 1.00 52.35 N ATOM 68 CA ARG A 5 20.943 -19.249 3.283 1.00 1.42 C ATOM 69 C ARG A 5 22.027 -20.321 3.346 1.00 33.00 C ATOM 70 O ARG A 5 23.009 -20.268 2.607 1.00 52.14 O ATOM 71 CB ARG A 5 21.360 -18.038 4.121 1.00 54.14 C ATOM 72 CG ARG A 5 20.419 -16.851 3.986 1.00 63.54 C ATOM 73 CD ARG A 5 20.984 -15.613 4.664 1.00 32.23 C ATOM 74 NE ARG A 5 21.148 -15.804 6.103 1.00 70.32 N ATOM 75 CZ ARG A 5 21.957 -15.067 6.854 1.00 5.45 C ATOM 76 NH1 ARG A 5 22.672 -14.093 6.307 1.00 63.41 N ATOM 77 NH2 ARG A 5 22.053 -15.301 8.157 1.00 73.40 N ATOM 0 H ARG A 5 19.268 -19.268 4.544 1.00 52.35 H new ATOM 0 HA ARG A 5 20.821 -18.940 2.245 1.00 1.42 H new ATOM 0 HB2 ARG A 5 21.412 -18.333 5.169 1.00 54.14 H new ATOM 0 HB3 ARG A 5 22.363 -17.731 3.826 1.00 54.14 H new ATOM 0 HG2 ARG A 5 20.245 -16.642 2.931 1.00 63.54 H new ATOM 0 HG3 ARG A 5 19.453 -17.099 4.426 1.00 63.54 H new ATOM 0 HD2 ARG A 5 21.947 -15.364 4.219 1.00 32.23 H new ATOM 0 HD3 ARG A 5 20.321 -14.767 4.484 1.00 32.23 H new ATOM 0 HE ARG A 5 20.611 -16.544 6.555 1.00 70.32 H new ATOM 0 HH11 ARG A 5 22.601 -13.908 5.306 1.00 63.41 H new ATOM 0 HH12 ARG A 5 23.293 -13.528 6.887 1.00 63.41 H new ATOM 0 HH21 ARG A 5 21.505 -16.048 8.583 1.00 73.40 H new ATOM 0 HH22 ARG A 5 22.675 -14.734 8.733 1.00 73.40 H new ATOM 91 N GLU A 6 21.840 -21.293 4.234 1.00 1.51 N ATOM 92 CA GLU A 6 22.803 -22.376 4.394 1.00 72.04 C ATOM 93 C GLU A 6 22.867 -23.236 3.135 1.00 64.22 C ATOM 94 O GLU A 6 21.844 -23.531 2.517 1.00 11.24 O ATOM 95 CB GLU A 6 22.433 -23.243 5.599 1.00 71.43 C ATOM 96 CG GLU A 6 22.113 -22.443 6.850 1.00 43.52 C ATOM 97 CD GLU A 6 22.970 -22.844 8.034 1.00 24.34 C ATOM 98 OE1 GLU A 6 24.208 -22.898 7.879 1.00 65.42 O ATOM 99 OE2 GLU A 6 22.404 -23.105 9.116 1.00 11.32 O ATOM 0 H GLU A 6 21.031 -21.352 4.853 1.00 1.51 H new ATOM 0 HA GLU A 6 23.785 -21.934 4.562 1.00 72.04 H new ATOM 0 HB2 GLU A 6 21.571 -23.859 5.342 1.00 71.43 H new ATOM 0 HB3 GLU A 6 23.258 -23.923 5.814 1.00 71.43 H new ATOM 0 HG2 GLU A 6 22.257 -21.382 6.645 1.00 43.52 H new ATOM 0 HG3 GLU A 6 21.062 -22.579 7.105 1.00 43.52 H new ATOM 106 N VAL A 7 24.078 -23.635 2.759 1.00 25.55 N ATOM 107 CA VAL A 7 24.278 -24.462 1.575 1.00 1.01 C ATOM 108 C VAL A 7 23.352 -25.673 1.588 1.00 41.04 C ATOM 109 O VAL A 7 22.552 -25.866 0.672 1.00 13.41 O ATOM 110 CB VAL A 7 25.736 -24.946 1.467 1.00 4.35 C ATOM 111 CG1 VAL A 7 25.921 -25.814 0.233 1.00 63.34 C ATOM 112 CG2 VAL A 7 26.690 -23.761 1.443 1.00 11.35 C ATOM 0 H VAL A 7 24.936 -23.399 3.258 1.00 25.55 H new ATOM 0 HA VAL A 7 24.045 -23.839 0.711 1.00 1.01 H new ATOM 0 HB VAL A 7 25.965 -25.551 2.344 1.00 4.35 H new ATOM 0 HG11 VAL A 7 26.957 -26.146 0.174 1.00 63.34 H new ATOM 0 HG12 VAL A 7 25.265 -26.682 0.297 1.00 63.34 H new ATOM 0 HG13 VAL A 7 25.674 -25.237 -0.658 1.00 63.34 H new ATOM 0 HG21 VAL A 7 27.716 -24.121 1.366 1.00 11.35 H new ATOM 0 HG22 VAL A 7 26.463 -23.128 0.585 1.00 11.35 H new ATOM 0 HG23 VAL A 7 26.576 -23.183 2.360 1.00 11.35 H new ATOM 122 N PHE A 8 23.466 -26.487 2.632 1.00 60.23 N ATOM 123 CA PHE A 8 22.639 -27.681 2.764 1.00 61.10 C ATOM 124 C PHE A 8 21.157 -27.325 2.703 1.00 75.35 C ATOM 125 O PHE A 8 20.327 -28.143 2.304 1.00 2.43 O ATOM 126 CB PHE A 8 22.949 -28.399 4.079 1.00 11.44 C ATOM 127 CG PHE A 8 22.412 -27.690 5.290 1.00 42.42 C ATOM 128 CD1 PHE A 8 21.133 -27.953 5.753 1.00 3.01 C ATOM 129 CD2 PHE A 8 23.187 -26.759 5.964 1.00 34.21 C ATOM 130 CE1 PHE A 8 20.636 -27.302 6.867 1.00 65.50 C ATOM 131 CE2 PHE A 8 22.695 -26.106 7.079 1.00 64.04 C ATOM 132 CZ PHE A 8 21.418 -26.377 7.530 1.00 64.01 C ATOM 0 H PHE A 8 24.123 -26.342 3.399 1.00 60.23 H new ATOM 0 HA PHE A 8 22.869 -28.346 1.932 1.00 61.10 H new ATOM 0 HB2 PHE A 8 22.531 -29.405 4.042 1.00 11.44 H new ATOM 0 HB3 PHE A 8 24.029 -28.506 4.180 1.00 11.44 H new ATOM 0 HD1 PHE A 8 20.517 -28.675 5.238 1.00 3.01 H new ATOM 0 HD2 PHE A 8 24.185 -26.541 5.615 1.00 34.21 H new ATOM 0 HE1 PHE A 8 19.637 -27.517 7.218 1.00 65.50 H new ATOM 0 HE2 PHE A 8 23.309 -25.384 7.597 1.00 64.04 H new ATOM 0 HZ PHE A 8 21.032 -25.866 8.400 1.00 64.01 H new ATOM 142 N ALA A 9 20.831 -26.100 3.101 1.00 43.34 N ATOM 143 CA ALA A 9 19.450 -25.634 3.090 1.00 60.42 C ATOM 144 C ALA A 9 18.997 -25.294 1.674 1.00 15.33 C ATOM 145 O ALA A 9 17.804 -25.323 1.372 1.00 41.14 O ATOM 146 CB ALA A 9 19.293 -24.426 4.002 1.00 71.55 C ATOM 0 H ALA A 9 21.505 -25.412 3.435 1.00 43.34 H new ATOM 0 HA ALA A 9 18.817 -26.440 3.462 1.00 60.42 H new ATOM 0 HB1 ALA A 9 18.257 -24.089 3.984 1.00 71.55 H new ATOM 0 HB2 ALA A 9 19.567 -24.701 5.020 1.00 71.55 H new ATOM 0 HB3 ALA A 9 19.942 -23.622 3.656 1.00 71.55 H new ATOM 152 N GLN A 10 19.955 -24.970 0.812 1.00 23.44 N ATOM 153 CA GLN A 10 19.653 -24.623 -0.571 1.00 13.31 C ATOM 154 C GLN A 10 18.779 -25.690 -1.222 1.00 64.20 C ATOM 155 O GLN A 10 17.976 -25.395 -2.106 1.00 55.24 O ATOM 156 CB GLN A 10 20.946 -24.448 -1.369 1.00 54.15 C ATOM 157 CG GLN A 10 21.824 -23.314 -0.865 1.00 31.44 C ATOM 158 CD GLN A 10 21.311 -21.949 -1.279 1.00 73.51 C ATOM 159 OE1 GLN A 10 21.237 -21.636 -2.468 1.00 12.25 O ATOM 160 NE2 GLN A 10 20.952 -21.129 -0.299 1.00 4.33 N ATOM 0 H GLN A 10 20.947 -24.941 1.047 1.00 23.44 H new ATOM 0 HA GLN A 10 19.104 -23.681 -0.571 1.00 13.31 H new ATOM 0 HB2 GLN A 10 21.513 -25.378 -1.334 1.00 54.15 H new ATOM 0 HB3 GLN A 10 20.696 -24.266 -2.414 1.00 54.15 H new ATOM 0 HG2 GLN A 10 21.883 -23.361 0.222 1.00 31.44 H new ATOM 0 HG3 GLN A 10 22.837 -23.448 -1.245 1.00 31.44 H new ATOM 0 HE21 GLN A 10 21.030 -21.430 0.672 1.00 4.33 H new ATOM 0 HE22 GLN A 10 20.598 -20.198 -0.517 1.00 4.33 H new ATOM 169 N VAL A 11 18.943 -26.933 -0.779 1.00 50.20 N ATOM 170 CA VAL A 11 18.169 -28.045 -1.318 1.00 41.41 C ATOM 171 C VAL A 11 16.673 -27.759 -1.245 1.00 62.43 C ATOM 172 O VAL A 11 15.898 -28.234 -2.076 1.00 30.14 O ATOM 173 CB VAL A 11 18.468 -29.354 -0.564 1.00 61.13 C ATOM 174 CG1 VAL A 11 19.945 -29.704 -0.666 1.00 51.13 C ATOM 175 CG2 VAL A 11 18.038 -29.241 0.890 1.00 33.24 C ATOM 0 H VAL A 11 19.605 -27.195 -0.048 1.00 50.20 H new ATOM 0 HA VAL A 11 18.463 -28.160 -2.361 1.00 41.41 H new ATOM 0 HB VAL A 11 17.896 -30.158 -1.027 1.00 61.13 H new ATOM 0 HG11 VAL A 11 20.137 -30.632 -0.127 1.00 51.13 H new ATOM 0 HG12 VAL A 11 20.218 -29.830 -1.714 1.00 51.13 H new ATOM 0 HG13 VAL A 11 20.540 -28.901 -0.230 1.00 51.13 H new ATOM 0 HG21 VAL A 11 18.257 -30.175 1.408 1.00 33.24 H new ATOM 0 HG22 VAL A 11 18.581 -28.426 1.368 1.00 33.24 H new ATOM 0 HG23 VAL A 11 16.968 -29.041 0.938 1.00 33.24 H new ATOM 185 N LYS A 12 16.273 -26.980 -0.246 1.00 41.14 N ATOM 186 CA LYS A 12 14.870 -26.628 -0.064 1.00 72.44 C ATOM 187 C LYS A 12 14.315 -25.944 -1.309 1.00 54.14 C ATOM 188 O LYS A 12 13.113 -25.990 -1.569 1.00 74.34 O ATOM 189 CB LYS A 12 14.706 -25.712 1.150 1.00 33.23 C ATOM 190 CG LYS A 12 13.264 -25.322 1.428 1.00 61.32 C ATOM 191 CD LYS A 12 12.932 -23.961 0.840 1.00 75.21 C ATOM 192 CE LYS A 12 11.524 -23.932 0.265 1.00 52.55 C ATOM 193 NZ LYS A 12 11.309 -22.749 -0.614 1.00 15.50 N ATOM 0 H LYS A 12 16.901 -26.580 0.451 1.00 41.14 H new ATOM 0 HA LYS A 12 14.309 -27.548 0.104 1.00 72.44 H new ATOM 0 HB2 LYS A 12 15.114 -26.211 2.029 1.00 33.23 H new ATOM 0 HB3 LYS A 12 15.295 -24.808 0.994 1.00 33.23 H new ATOM 0 HG2 LYS A 12 12.595 -26.074 1.008 1.00 61.32 H new ATOM 0 HG3 LYS A 12 13.091 -25.307 2.504 1.00 61.32 H new ATOM 0 HD2 LYS A 12 13.027 -23.197 1.611 1.00 75.21 H new ATOM 0 HD3 LYS A 12 13.651 -23.716 0.058 1.00 75.21 H new ATOM 0 HE2 LYS A 12 11.345 -24.845 -0.304 1.00 52.55 H new ATOM 0 HE3 LYS A 12 10.799 -23.916 1.079 1.00 52.55 H new ATOM 0 HZ1 LYS A 12 10.338 -22.765 -0.986 1.00 15.50 H new ATOM 0 HZ2 LYS A 12 11.455 -21.878 -0.065 1.00 15.50 H new ATOM 0 HZ3 LYS A 12 11.984 -22.777 -1.405 1.00 15.50 H new ATOM 207 N GLN A 13 15.198 -25.311 -2.075 1.00 32.20 N ATOM 208 CA GLN A 13 14.794 -24.618 -3.293 1.00 24.31 C ATOM 209 C GLN A 13 14.029 -25.554 -4.223 1.00 42.42 C ATOM 210 O GLN A 13 13.201 -25.112 -5.019 1.00 15.04 O ATOM 211 CB GLN A 13 16.020 -24.054 -4.013 1.00 40.33 C ATOM 212 CG GLN A 13 15.685 -22.974 -5.029 1.00 53.23 C ATOM 213 CD GLN A 13 15.622 -21.591 -4.412 1.00 11.32 C ATOM 214 OE1 GLN A 13 16.043 -21.387 -3.273 1.00 33.24 O ATOM 215 NE2 GLN A 13 15.095 -20.630 -5.162 1.00 73.42 N ATOM 0 H GLN A 13 16.197 -25.264 -1.874 1.00 32.20 H new ATOM 0 HA GLN A 13 14.135 -23.796 -3.013 1.00 24.31 H new ATOM 0 HB2 GLN A 13 16.709 -23.645 -3.274 1.00 40.33 H new ATOM 0 HB3 GLN A 13 16.541 -24.868 -4.518 1.00 40.33 H new ATOM 0 HG2 GLN A 13 16.434 -22.981 -5.821 1.00 53.23 H new ATOM 0 HG3 GLN A 13 14.727 -23.204 -5.495 1.00 53.23 H new ATOM 0 HE21 GLN A 13 14.758 -20.843 -6.101 1.00 73.42 H new ATOM 0 HE22 GLN A 13 15.027 -19.679 -4.799 1.00 73.42 H new ATOM 224 N MET A 14 14.313 -26.848 -4.118 1.00 1.32 N ATOM 225 CA MET A 14 13.650 -27.845 -4.950 1.00 24.32 C ATOM 226 C MET A 14 12.134 -27.699 -4.871 1.00 1.34 C ATOM 227 O MET A 14 11.575 -27.503 -3.791 1.00 44.51 O ATOM 228 CB MET A 14 14.061 -29.254 -4.519 1.00 23.53 C ATOM 229 CG MET A 14 13.435 -29.695 -3.205 1.00 62.15 C ATOM 230 SD MET A 14 13.876 -31.385 -2.758 1.00 62.33 S ATOM 231 CE MET A 14 15.622 -31.197 -2.403 1.00 74.10 C ATOM 0 H MET A 14 14.997 -27.230 -3.465 1.00 1.32 H new ATOM 0 HA MET A 14 13.959 -27.683 -5.983 1.00 24.32 H new ATOM 0 HB2 MET A 14 13.781 -29.960 -5.301 1.00 23.53 H new ATOM 0 HB3 MET A 14 15.146 -29.295 -4.427 1.00 23.53 H new ATOM 0 HG2 MET A 14 13.752 -29.019 -2.411 1.00 62.15 H new ATOM 0 HG3 MET A 14 12.351 -29.614 -3.278 1.00 62.15 H new ATOM 0 HE1 MET A 14 16.074 -32.180 -2.267 1.00 74.10 H new ATOM 0 HE2 MET A 14 16.109 -30.685 -3.233 1.00 74.10 H new ATOM 0 HE3 MET A 14 15.747 -30.611 -1.492 1.00 74.10 H new ATOM 241 N TYR A 15 11.474 -27.795 -6.019 1.00 43.45 N ATOM 242 CA TYR A 15 10.023 -27.670 -6.080 1.00 51.20 C ATOM 243 C TYR A 15 9.426 -28.704 -7.029 1.00 62.34 C ATOM 244 O TYR A 15 8.411 -29.331 -6.726 1.00 12.00 O ATOM 245 CB TYR A 15 9.629 -26.262 -6.530 1.00 4.33 C ATOM 246 CG TYR A 15 8.512 -25.655 -5.711 1.00 45.41 C ATOM 247 CD1 TYR A 15 7.311 -26.329 -5.532 1.00 54.31 C ATOM 248 CD2 TYR A 15 8.658 -24.407 -5.118 1.00 4.04 C ATOM 249 CE1 TYR A 15 6.287 -25.778 -4.786 1.00 10.34 C ATOM 250 CE2 TYR A 15 7.641 -23.849 -4.368 1.00 72.12 C ATOM 251 CZ TYR A 15 6.457 -24.538 -4.205 1.00 61.13 C ATOM 252 OH TYR A 15 5.440 -23.985 -3.461 1.00 25.12 O ATOM 0 H TYR A 15 11.921 -27.959 -6.921 1.00 43.45 H new ATOM 0 HA TYR A 15 9.627 -27.849 -5.080 1.00 51.20 H new ATOM 0 HB2 TYR A 15 10.503 -25.614 -6.474 1.00 4.33 H new ATOM 0 HB3 TYR A 15 9.324 -26.296 -7.576 1.00 4.33 H new ATOM 0 HD1 TYR A 15 7.175 -27.301 -5.984 1.00 54.31 H new ATOM 0 HD2 TYR A 15 9.583 -23.864 -5.246 1.00 4.04 H new ATOM 0 HE1 TYR A 15 5.359 -26.315 -4.658 1.00 10.34 H new ATOM 0 HE2 TYR A 15 7.772 -22.879 -3.912 1.00 72.12 H new ATOM 0 HH TYR A 15 5.722 -23.110 -3.121 1.00 25.12 H new ATOM 262 N LYS A 16 10.065 -28.879 -8.181 1.00 43.53 N ATOM 263 CA LYS A 16 9.601 -29.838 -9.177 1.00 5.33 C ATOM 264 C LYS A 16 9.557 -31.247 -8.595 1.00 14.03 C ATOM 265 O LYS A 16 10.516 -32.010 -8.714 1.00 35.51 O ATOM 266 CB LYS A 16 10.514 -29.811 -10.405 1.00 51.40 C ATOM 267 CG LYS A 16 10.094 -28.794 -11.452 1.00 53.04 C ATOM 268 CD LYS A 16 10.864 -27.492 -11.306 1.00 72.25 C ATOM 269 CE LYS A 16 12.267 -27.607 -11.882 1.00 21.32 C ATOM 270 NZ LYS A 16 12.250 -27.726 -13.366 1.00 70.31 N ATOM 0 H LYS A 16 10.907 -28.369 -8.448 1.00 43.53 H new ATOM 0 HA LYS A 16 8.592 -29.555 -9.476 1.00 5.33 H new ATOM 0 HB2 LYS A 16 11.533 -29.592 -10.085 1.00 51.40 H new ATOM 0 HB3 LYS A 16 10.529 -30.802 -10.858 1.00 51.40 H new ATOM 0 HG2 LYS A 16 10.260 -29.206 -12.447 1.00 53.04 H new ATOM 0 HG3 LYS A 16 9.026 -28.598 -11.362 1.00 53.04 H new ATOM 0 HD2 LYS A 16 10.326 -26.691 -11.813 1.00 72.25 H new ATOM 0 HD3 LYS A 16 10.923 -27.219 -10.252 1.00 72.25 H new ATOM 0 HE2 LYS A 16 12.850 -26.732 -11.595 1.00 21.32 H new ATOM 0 HE3 LYS A 16 12.765 -28.477 -11.454 1.00 21.32 H new ATOM 0 HZ1 LYS A 16 13.192 -27.498 -13.743 1.00 70.31 H new ATOM 0 HZ2 LYS A 16 11.996 -28.698 -13.633 1.00 70.31 H new ATOM 0 HZ3 LYS A 16 11.550 -27.065 -13.759 1.00 70.31 H new ATOM 284 N THR A 17 8.436 -31.587 -7.966 1.00 31.35 N ATOM 285 CA THR A 17 8.266 -32.905 -7.366 1.00 0.44 C ATOM 286 C THR A 17 8.514 -34.010 -8.386 1.00 54.41 C ATOM 287 O THR A 17 9.381 -34.865 -8.212 1.00 65.41 O ATOM 288 CB THR A 17 6.854 -33.075 -6.774 1.00 51.42 C ATOM 289 OG1 THR A 17 6.062 -31.915 -7.055 1.00 42.01 O ATOM 290 CG2 THR A 17 6.920 -33.298 -5.271 1.00 2.31 C ATOM 0 H THR A 17 7.632 -30.968 -7.859 1.00 31.35 H new ATOM 0 HA THR A 17 9.000 -32.984 -6.564 1.00 0.44 H new ATOM 0 HB THR A 17 6.394 -33.949 -7.235 1.00 51.42 H new ATOM 0 HG1 THR A 17 5.165 -32.032 -6.677 1.00 42.01 H new ATOM 0 HG21 THR A 17 5.911 -33.415 -4.876 1.00 2.31 H new ATOM 0 HG22 THR A 17 7.498 -34.198 -5.062 1.00 2.31 H new ATOM 0 HG23 THR A 17 7.398 -32.441 -4.797 1.00 2.31 H new ATOM 298 N PRO A 18 7.735 -33.993 -9.478 1.00 72.01 N ATOM 299 CA PRO A 18 7.852 -34.987 -10.549 1.00 42.12 C ATOM 300 C PRO A 18 9.142 -34.830 -11.347 1.00 2.20 C ATOM 301 O PRO A 18 9.558 -33.714 -11.662 1.00 61.33 O ATOM 302 CB PRO A 18 6.637 -34.699 -11.435 1.00 23.12 C ATOM 303 CG PRO A 18 6.320 -33.265 -11.187 1.00 55.24 C ATOM 304 CD PRO A 18 6.680 -33.003 -9.751 1.00 41.54 C ATOM 0 HA PRO A 18 7.881 -36.004 -10.159 1.00 42.12 H new ATOM 0 HB2 PRO A 18 6.862 -34.879 -12.486 1.00 23.12 H new ATOM 0 HB3 PRO A 18 5.796 -35.341 -11.175 1.00 23.12 H new ATOM 0 HG2 PRO A 18 6.888 -32.619 -11.856 1.00 55.24 H new ATOM 0 HG3 PRO A 18 5.264 -33.062 -11.368 1.00 55.24 H new ATOM 0 HD2 PRO A 18 7.038 -31.984 -9.606 1.00 41.54 H new ATOM 0 HD3 PRO A 18 5.823 -33.137 -9.091 1.00 41.54 H new ATOM 312 N THR A 19 9.773 -35.954 -11.672 1.00 34.32 N ATOM 313 CA THR A 19 11.016 -35.941 -12.432 1.00 72.33 C ATOM 314 C THR A 19 11.081 -37.118 -13.399 1.00 23.31 C ATOM 315 O THR A 19 10.715 -38.242 -13.051 1.00 42.20 O ATOM 316 CB THR A 19 12.243 -35.986 -11.503 1.00 4.10 C ATOM 317 OG1 THR A 19 13.443 -36.067 -12.280 1.00 64.50 O ATOM 318 CG2 THR A 19 12.164 -37.175 -10.558 1.00 35.13 C ATOM 0 H THR A 19 9.443 -36.886 -11.420 1.00 34.32 H new ATOM 0 HA THR A 19 11.032 -35.009 -12.997 1.00 72.33 H new ATOM 0 HB THR A 19 12.255 -35.071 -10.910 1.00 4.10 H new ATOM 0 HG1 THR A 19 14.219 -36.093 -11.682 1.00 64.50 H new ATOM 0 HG21 THR A 19 13.042 -37.185 -9.912 1.00 35.13 H new ATOM 0 HG22 THR A 19 11.265 -37.095 -9.947 1.00 35.13 H new ATOM 0 HG23 THR A 19 12.129 -38.098 -11.137 1.00 35.13 H new ATOM 326 N LEU A 20 11.550 -36.855 -14.613 1.00 43.25 N ATOM 327 CA LEU A 20 11.665 -37.894 -15.631 1.00 52.54 C ATOM 328 C LEU A 20 13.118 -38.083 -16.054 1.00 71.54 C ATOM 329 O LEU A 20 14.031 -37.521 -15.449 1.00 71.23 O ATOM 330 CB LEU A 20 10.810 -37.539 -16.849 1.00 15.51 C ATOM 331 CG LEU A 20 9.390 -37.052 -16.553 1.00 45.33 C ATOM 332 CD1 LEU A 20 8.681 -36.663 -17.841 1.00 14.52 C ATOM 333 CD2 LEU A 20 8.603 -38.122 -15.811 1.00 4.44 C ATOM 0 H LEU A 20 11.857 -35.931 -14.917 1.00 43.25 H new ATOM 0 HA LEU A 20 11.306 -38.830 -15.202 1.00 52.54 H new ATOM 0 HB2 LEU A 20 11.327 -36.766 -17.418 1.00 15.51 H new ATOM 0 HB3 LEU A 20 10.745 -38.417 -17.491 1.00 15.51 H new ATOM 0 HG LEU A 20 9.454 -36.170 -15.916 1.00 45.33 H new ATOM 0 HD11 LEU A 20 7.672 -36.319 -17.612 1.00 14.52 H new ATOM 0 HD12 LEU A 20 9.234 -35.863 -18.333 1.00 14.52 H new ATOM 0 HD13 LEU A 20 8.628 -37.528 -18.502 1.00 14.52 H new ATOM 0 HD21 LEU A 20 7.596 -37.758 -15.609 1.00 4.44 H new ATOM 0 HD22 LEU A 20 8.548 -39.023 -16.422 1.00 4.44 H new ATOM 0 HD23 LEU A 20 9.101 -38.353 -14.869 1.00 4.44 H new ATOM 345 N LYS A 21 13.326 -38.878 -17.099 1.00 34.00 N ATOM 346 CA LYS A 21 14.667 -39.140 -17.607 1.00 30.22 C ATOM 347 C LYS A 21 15.076 -38.087 -18.632 1.00 22.42 C ATOM 348 O LYS A 21 16.115 -38.210 -19.281 1.00 4.23 O ATOM 349 CB LYS A 21 14.733 -40.533 -18.237 1.00 32.43 C ATOM 350 CG LYS A 21 16.128 -41.134 -18.241 1.00 10.23 C ATOM 351 CD LYS A 21 16.343 -42.038 -19.443 1.00 54.30 C ATOM 352 CE LYS A 21 16.853 -41.256 -20.644 1.00 32.11 C ATOM 353 NZ LYS A 21 15.737 -40.718 -21.470 1.00 50.03 N ATOM 0 H LYS A 21 12.582 -39.352 -17.611 1.00 34.00 H new ATOM 0 HA LYS A 21 15.361 -39.094 -16.768 1.00 30.22 H new ATOM 0 HB2 LYS A 21 14.061 -41.199 -17.696 1.00 32.43 H new ATOM 0 HB3 LYS A 21 14.368 -40.476 -19.263 1.00 32.43 H new ATOM 0 HG2 LYS A 21 16.869 -40.335 -18.249 1.00 10.23 H new ATOM 0 HG3 LYS A 21 16.282 -41.703 -17.324 1.00 10.23 H new ATOM 0 HD2 LYS A 21 17.057 -42.821 -19.188 1.00 54.30 H new ATOM 0 HD3 LYS A 21 15.406 -42.532 -19.700 1.00 54.30 H new ATOM 0 HE2 LYS A 21 17.481 -40.433 -20.302 1.00 32.11 H new ATOM 0 HE3 LYS A 21 17.481 -41.902 -21.258 1.00 32.11 H new ATOM 0 HZ1 LYS A 21 16.074 -40.545 -22.438 1.00 50.03 H new ATOM 0 HZ2 LYS A 21 14.958 -41.407 -21.493 1.00 50.03 H new ATOM 0 HZ3 LYS A 21 15.398 -39.826 -21.057 1.00 50.03 H new ATOM 367 N TYR A 22 14.254 -37.054 -18.772 1.00 10.55 N ATOM 368 CA TYR A 22 14.530 -35.980 -19.718 1.00 43.24 C ATOM 369 C TYR A 22 15.932 -35.415 -19.508 1.00 71.21 C ATOM 370 O TYR A 22 16.574 -34.949 -20.450 1.00 11.05 O ATOM 371 CB TYR A 22 13.493 -34.865 -19.575 1.00 35.21 C ATOM 372 CG TYR A 22 13.675 -34.025 -18.331 1.00 52.33 C ATOM 373 CD1 TYR A 22 13.390 -34.540 -17.073 1.00 23.42 C ATOM 374 CD2 TYR A 22 14.130 -32.715 -18.415 1.00 5.23 C ATOM 375 CE1 TYR A 22 13.555 -33.776 -15.934 1.00 33.13 C ATOM 376 CE2 TYR A 22 14.299 -31.944 -17.281 1.00 42.30 C ATOM 377 CZ TYR A 22 14.010 -32.479 -16.043 1.00 52.40 C ATOM 378 OH TYR A 22 14.175 -31.713 -14.911 1.00 61.24 O ATOM 0 H TYR A 22 13.390 -36.937 -18.242 1.00 10.55 H new ATOM 0 HA TYR A 22 14.471 -36.394 -20.724 1.00 43.24 H new ATOM 0 HB2 TYR A 22 13.544 -34.218 -20.451 1.00 35.21 H new ATOM 0 HB3 TYR A 22 12.496 -35.306 -19.563 1.00 35.21 H new ATOM 0 HD1 TYR A 22 13.033 -35.555 -16.984 1.00 23.42 H new ATOM 0 HD2 TYR A 22 14.355 -32.292 -19.383 1.00 5.23 H new ATOM 0 HE1 TYR A 22 13.329 -34.192 -14.963 1.00 33.13 H new ATOM 0 HE2 TYR A 22 14.655 -30.928 -17.364 1.00 42.30 H new ATOM 0 HH TYR A 22 14.503 -30.824 -15.162 1.00 61.24 H new ATOM 388 N PHE A 23 16.401 -35.461 -18.266 1.00 32.45 N ATOM 389 CA PHE A 23 17.726 -34.955 -17.929 1.00 43.43 C ATOM 390 C PHE A 23 18.652 -36.092 -17.507 1.00 2.41 C ATOM 391 O PHE A 23 19.867 -36.017 -17.686 1.00 51.15 O ATOM 392 CB PHE A 23 17.630 -33.917 -16.809 1.00 32.33 C ATOM 393 CG PHE A 23 18.227 -32.587 -17.170 1.00 22.42 C ATOM 394 CD1 PHE A 23 17.819 -31.917 -18.312 1.00 4.15 C ATOM 395 CD2 PHE A 23 19.197 -32.008 -16.368 1.00 23.24 C ATOM 396 CE1 PHE A 23 18.367 -30.693 -18.647 1.00 12.35 C ATOM 397 CE2 PHE A 23 19.748 -30.784 -16.697 1.00 70.23 C ATOM 398 CZ PHE A 23 19.333 -30.126 -17.839 1.00 22.23 C ATOM 0 H PHE A 23 15.883 -35.844 -17.475 1.00 32.45 H new ATOM 0 HA PHE A 23 18.143 -34.482 -18.818 1.00 43.43 H new ATOM 0 HB2 PHE A 23 16.582 -33.776 -16.545 1.00 32.33 H new ATOM 0 HB3 PHE A 23 18.133 -34.303 -15.923 1.00 32.33 H new ATOM 0 HD1 PHE A 23 17.064 -32.356 -18.948 1.00 4.15 H new ATOM 0 HD2 PHE A 23 19.526 -32.519 -15.475 1.00 23.24 H new ATOM 0 HE1 PHE A 23 18.040 -30.181 -19.540 1.00 12.35 H new ATOM 0 HE2 PHE A 23 20.502 -30.342 -16.062 1.00 70.23 H new ATOM 0 HZ PHE A 23 19.763 -29.170 -18.099 1.00 22.23 H new ATOM 408 N GLY A 24 18.068 -37.145 -16.943 1.00 53.33 N ATOM 409 CA GLY A 24 18.854 -38.282 -16.503 1.00 61.21 C ATOM 410 C GLY A 24 18.879 -38.420 -14.994 1.00 24.22 C ATOM 411 O GLY A 24 17.939 -38.018 -14.311 1.00 13.23 O ATOM 0 H GLY A 24 17.064 -37.230 -16.783 1.00 53.33 H new ATOM 0 HA2 GLY A 24 18.447 -39.193 -16.941 1.00 61.21 H new ATOM 0 HA3 GLY A 24 19.874 -38.179 -16.872 1.00 61.21 H new ATOM 415 N GLY A 25 19.960 -38.993 -14.471 1.00 73.13 N ATOM 416 CA GLY A 25 20.083 -39.175 -13.037 1.00 15.22 C ATOM 417 C GLY A 25 21.523 -39.123 -12.567 1.00 72.31 C ATOM 418 O GLY A 25 21.871 -39.711 -11.543 1.00 32.12 O ATOM 0 H GLY A 25 20.752 -39.334 -15.016 1.00 73.13 H new ATOM 0 HA2 GLY A 25 19.509 -38.402 -12.525 1.00 15.22 H new ATOM 0 HA3 GLY A 25 19.647 -40.134 -12.757 1.00 15.22 H new ATOM 422 N PHE A 26 22.364 -38.420 -13.318 1.00 54.21 N ATOM 423 CA PHE A 26 23.775 -38.296 -12.974 1.00 44.04 C ATOM 424 C PHE A 26 23.982 -37.233 -11.900 1.00 2.34 C ATOM 425 O PHE A 26 23.100 -36.415 -11.643 1.00 11.03 O ATOM 426 CB PHE A 26 24.596 -37.947 -14.218 1.00 21.03 C ATOM 427 CG PHE A 26 24.130 -36.700 -14.913 1.00 74.34 C ATOM 428 CD1 PHE A 26 23.382 -36.779 -16.077 1.00 71.12 C ATOM 429 CD2 PHE A 26 24.439 -35.450 -14.404 1.00 3.41 C ATOM 430 CE1 PHE A 26 22.951 -35.634 -16.720 1.00 13.21 C ATOM 431 CE2 PHE A 26 24.010 -34.301 -15.042 1.00 5.02 C ATOM 432 CZ PHE A 26 23.266 -34.393 -16.202 1.00 24.12 C ATOM 0 H PHE A 26 22.093 -37.927 -14.169 1.00 54.21 H new ATOM 0 HA PHE A 26 24.113 -39.255 -12.581 1.00 44.04 H new ATOM 0 HB2 PHE A 26 25.641 -37.825 -13.932 1.00 21.03 H new ATOM 0 HB3 PHE A 26 24.553 -38.781 -14.918 1.00 21.03 H new ATOM 0 HD1 PHE A 26 23.133 -37.747 -16.487 1.00 71.12 H new ATOM 0 HD2 PHE A 26 25.022 -35.372 -13.498 1.00 3.41 H new ATOM 0 HE1 PHE A 26 22.369 -35.710 -17.626 1.00 13.21 H new ATOM 0 HE2 PHE A 26 24.256 -33.332 -14.634 1.00 5.02 H new ATOM 0 HZ PHE A 26 22.931 -33.497 -16.703 1.00 24.12 H new ATOM 442 N ASN A 27 25.155 -37.252 -11.275 1.00 21.03 N ATOM 443 CA ASN A 27 25.479 -36.291 -10.227 1.00 15.24 C ATOM 444 C ASN A 27 26.824 -35.624 -10.497 1.00 13.42 C ATOM 445 O ASN A 27 27.749 -36.253 -11.011 1.00 53.40 O ATOM 446 CB ASN A 27 25.505 -36.982 -8.862 1.00 35.30 C ATOM 447 CG ASN A 27 26.054 -38.394 -8.939 1.00 53.33 C ATOM 448 OD1 ASN A 27 25.298 -39.366 -8.953 1.00 4.32 O ATOM 449 ND2 ASN A 27 27.375 -38.512 -8.990 1.00 64.13 N ATOM 0 H ASN A 27 25.897 -37.922 -11.476 1.00 21.03 H new ATOM 0 HA ASN A 27 24.706 -35.522 -10.223 1.00 15.24 H new ATOM 0 HB2 ASN A 27 26.113 -36.396 -8.173 1.00 35.30 H new ATOM 0 HB3 ASN A 27 24.495 -37.010 -8.452 1.00 35.30 H new ATOM 0 HD21 ASN A 27 27.803 -39.436 -9.043 1.00 64.13 H new ATOM 0 HD22 ASN A 27 27.962 -37.678 -8.976 1.00 64.13 H new ATOM 456 N PHE A 28 26.925 -34.346 -10.146 1.00 2.21 N ATOM 457 CA PHE A 28 28.157 -33.592 -10.351 1.00 32.45 C ATOM 458 C PHE A 28 29.330 -34.266 -9.644 1.00 40.33 C ATOM 459 O PHE A 28 30.483 -34.110 -10.046 1.00 51.44 O ATOM 460 CB PHE A 28 27.994 -32.159 -9.840 1.00 31.33 C ATOM 461 CG PHE A 28 29.160 -31.270 -10.166 1.00 73.32 C ATOM 462 CD1 PHE A 28 29.789 -30.538 -9.173 1.00 24.34 C ATOM 463 CD2 PHE A 28 29.625 -31.166 -11.467 1.00 65.30 C ATOM 464 CE1 PHE A 28 30.863 -29.720 -9.470 1.00 13.44 C ATOM 465 CE2 PHE A 28 30.699 -30.350 -11.770 1.00 15.41 C ATOM 466 CZ PHE A 28 31.317 -29.624 -10.770 1.00 61.43 C ATOM 0 H PHE A 28 26.169 -33.811 -9.719 1.00 2.21 H new ATOM 0 HA PHE A 28 28.365 -33.567 -11.421 1.00 32.45 H new ATOM 0 HB2 PHE A 28 27.089 -31.729 -10.269 1.00 31.33 H new ATOM 0 HB3 PHE A 28 27.855 -32.181 -8.759 1.00 31.33 H new ATOM 0 HD1 PHE A 28 29.436 -30.607 -8.155 1.00 24.34 H new ATOM 0 HD2 PHE A 28 29.143 -31.729 -12.253 1.00 65.30 H new ATOM 0 HE1 PHE A 28 31.346 -29.157 -8.686 1.00 13.44 H new ATOM 0 HE2 PHE A 28 31.055 -30.280 -12.787 1.00 15.41 H new ATOM 0 HZ PHE A 28 32.154 -28.983 -11.005 1.00 61.43 H new ATOM 476 N SER A 29 29.027 -35.015 -8.589 1.00 12.41 N ATOM 477 CA SER A 29 30.056 -35.709 -7.823 1.00 54.41 C ATOM 478 C SER A 29 30.663 -36.847 -8.637 1.00 21.22 C ATOM 479 O SER A 29 31.695 -37.406 -8.267 1.00 3.23 O ATOM 480 CB SER A 29 29.470 -36.254 -6.519 1.00 72.24 C ATOM 481 OG SER A 29 28.575 -37.324 -6.771 1.00 23.23 O ATOM 0 H SER A 29 28.077 -35.157 -8.245 1.00 12.41 H new ATOM 0 HA SER A 29 30.844 -34.994 -7.587 1.00 54.41 H new ATOM 0 HB2 SER A 29 30.276 -36.595 -5.869 1.00 72.24 H new ATOM 0 HB3 SER A 29 28.949 -35.457 -5.989 1.00 72.24 H new ATOM 0 HG SER A 29 28.215 -37.656 -5.922 1.00 23.23 H new ATOM 487 N GLN A 30 30.014 -37.185 -9.746 1.00 42.15 N ATOM 488 CA GLN A 30 30.490 -38.257 -10.613 1.00 34.35 C ATOM 489 C GLN A 30 31.935 -38.016 -11.035 1.00 0.51 C ATOM 490 O GLN A 30 32.668 -38.957 -11.340 1.00 40.45 O ATOM 491 CB GLN A 30 29.597 -38.376 -11.849 1.00 45.04 C ATOM 492 CG GLN A 30 29.870 -39.620 -12.679 1.00 64.12 C ATOM 493 CD GLN A 30 29.787 -40.895 -11.864 1.00 22.32 C ATOM 494 OE1 GLN A 30 28.704 -41.440 -11.650 1.00 15.41 O ATOM 495 NE2 GLN A 30 30.935 -41.380 -11.403 1.00 54.24 N ATOM 0 H GLN A 30 29.158 -36.733 -10.066 1.00 42.15 H new ATOM 0 HA GLN A 30 30.447 -39.190 -10.051 1.00 34.35 H new ATOM 0 HB2 GLN A 30 28.554 -38.381 -11.534 1.00 45.04 H new ATOM 0 HB3 GLN A 30 29.737 -37.494 -12.474 1.00 45.04 H new ATOM 0 HG2 GLN A 30 29.153 -39.670 -13.499 1.00 64.12 H new ATOM 0 HG3 GLN A 30 30.861 -39.543 -13.127 1.00 64.12 H new ATOM 0 HE21 GLN A 30 31.810 -40.896 -11.604 1.00 54.24 H new ATOM 0 HE22 GLN A 30 30.941 -42.236 -10.848 1.00 54.24 H new ATOM 504 N ILE A 31 32.338 -36.749 -11.050 1.00 71.40 N ATOM 505 CA ILE A 31 33.696 -36.385 -11.434 1.00 52.13 C ATOM 506 C ILE A 31 34.722 -37.041 -10.517 1.00 33.52 C ATOM 507 O ILE A 31 35.866 -37.270 -10.910 1.00 64.32 O ATOM 508 CB ILE A 31 33.899 -34.859 -11.404 1.00 0.41 C ATOM 509 CG1 ILE A 31 35.271 -34.493 -11.973 1.00 64.43 C ATOM 510 CG2 ILE A 31 33.752 -34.333 -9.984 1.00 12.12 C ATOM 511 CD1 ILE A 31 36.351 -34.375 -10.920 1.00 73.41 C ATOM 0 H ILE A 31 31.743 -35.959 -10.801 1.00 71.40 H new ATOM 0 HA ILE A 31 33.842 -36.743 -12.453 1.00 52.13 H new ATOM 0 HB ILE A 31 33.133 -34.394 -12.025 1.00 0.41 H new ATOM 0 HG12 ILE A 31 35.566 -35.248 -12.701 1.00 64.43 H new ATOM 0 HG13 ILE A 31 35.192 -33.547 -12.509 1.00 64.43 H new ATOM 0 HG21 ILE A 31 33.898 -33.253 -9.979 1.00 12.12 H new ATOM 0 HG22 ILE A 31 32.755 -34.566 -9.611 1.00 12.12 H new ATOM 0 HG23 ILE A 31 34.498 -34.803 -9.343 1.00 12.12 H new ATOM 0 HD11 ILE A 31 37.296 -34.113 -11.396 1.00 73.41 H new ATOM 0 HD12 ILE A 31 36.078 -33.599 -10.204 1.00 73.41 H new ATOM 0 HD13 ILE A 31 36.458 -35.327 -10.400 1.00 73.41 H new ATOM 523 N LEU A 32 34.304 -37.344 -9.293 1.00 22.24 N ATOM 524 CA LEU A 32 35.186 -37.977 -8.318 1.00 62.11 C ATOM 525 C LEU A 32 34.706 -39.386 -7.983 1.00 42.24 C ATOM 526 O LEU A 32 34.169 -39.646 -6.906 1.00 44.34 O ATOM 527 CB LEU A 32 35.259 -37.134 -7.044 1.00 34.55 C ATOM 528 CG LEU A 32 36.253 -35.973 -7.062 1.00 61.13 C ATOM 529 CD1 LEU A 32 36.042 -35.070 -5.857 1.00 53.34 C ATOM 530 CD2 LEU A 32 37.682 -36.495 -7.096 1.00 21.14 C ATOM 0 H LEU A 32 33.360 -37.162 -8.952 1.00 22.24 H new ATOM 0 HA LEU A 32 36.181 -38.047 -8.757 1.00 62.11 H new ATOM 0 HB2 LEU A 32 34.266 -36.733 -6.841 1.00 34.55 H new ATOM 0 HB3 LEU A 32 35.514 -37.791 -6.212 1.00 34.55 H new ATOM 0 HG LEU A 32 36.080 -35.386 -7.964 1.00 61.13 H new ATOM 0 HD11 LEU A 32 36.759 -34.249 -5.887 1.00 53.34 H new ATOM 0 HD12 LEU A 32 35.029 -34.668 -5.877 1.00 53.34 H new ATOM 0 HD13 LEU A 32 36.187 -35.644 -4.942 1.00 53.34 H new ATOM 0 HD21 LEU A 32 38.376 -35.655 -7.108 1.00 21.14 H new ATOM 0 HD22 LEU A 32 37.867 -37.106 -6.212 1.00 21.14 H new ATOM 0 HD23 LEU A 32 37.827 -37.099 -7.992 1.00 21.14 H new ATOM 542 N PRO A 33 34.905 -40.319 -8.927 1.00 11.45 N ATOM 543 CA PRO A 33 34.502 -41.717 -8.754 1.00 22.44 C ATOM 544 C PRO A 33 35.355 -42.442 -7.718 1.00 72.50 C ATOM 545 O PRO A 33 36.453 -41.998 -7.383 1.00 14.23 O ATOM 546 CB PRO A 33 34.718 -42.323 -10.143 1.00 22.02 C ATOM 547 CG PRO A 33 35.762 -41.466 -10.771 1.00 62.24 C ATOM 548 CD PRO A 33 35.539 -40.080 -10.234 1.00 53.31 C ATOM 0 HA PRO A 33 33.478 -41.804 -8.391 1.00 22.44 H new ATOM 0 HB2 PRO A 33 35.045 -43.361 -10.076 1.00 22.02 H new ATOM 0 HB3 PRO A 33 33.797 -42.316 -10.726 1.00 22.02 H new ATOM 0 HG2 PRO A 33 36.761 -41.824 -10.524 1.00 62.24 H new ATOM 0 HG3 PRO A 33 35.678 -41.482 -11.858 1.00 62.24 H new ATOM 0 HD2 PRO A 33 36.476 -39.533 -10.132 1.00 53.31 H new ATOM 0 HD3 PRO A 33 34.897 -39.493 -10.891 1.00 53.31 H new ATOM 556 N SER A 34 34.843 -43.561 -7.215 1.00 72.20 N ATOM 557 CA SER A 34 35.556 -44.346 -6.215 1.00 24.24 C ATOM 558 C SER A 34 35.734 -45.788 -6.681 1.00 1.01 C ATOM 559 O SER A 34 35.032 -46.271 -7.570 1.00 5.20 O ATOM 560 CB SER A 34 34.805 -44.318 -4.882 1.00 70.03 C ATOM 561 OG SER A 34 34.114 -45.535 -4.661 1.00 32.22 O ATOM 0 H SER A 34 33.937 -43.944 -7.484 1.00 72.20 H new ATOM 0 HA SER A 34 36.542 -43.903 -6.077 1.00 24.24 H new ATOM 0 HB2 SER A 34 35.509 -44.143 -4.068 1.00 70.03 H new ATOM 0 HB3 SER A 34 34.098 -43.488 -4.877 1.00 70.03 H new ATOM 0 HG SER A 34 33.643 -45.493 -3.802 1.00 32.22 H new ATOM 567 N PRO A 35 36.696 -46.493 -6.067 1.00 34.32 N ATOM 568 CA PRO A 35 36.989 -47.890 -6.401 1.00 72.12 C ATOM 569 C PRO A 35 35.877 -48.837 -5.962 1.00 23.04 C ATOM 570 O PRO A 35 35.111 -48.529 -5.048 1.00 31.54 O ATOM 571 CB PRO A 35 38.275 -48.178 -5.624 1.00 24.43 C ATOM 572 CG PRO A 35 38.252 -47.219 -4.484 1.00 65.12 C ATOM 573 CD PRO A 35 37.570 -45.982 -4.998 1.00 42.33 C ATOM 0 HA PRO A 35 37.082 -48.041 -7.476 1.00 72.12 H new ATOM 0 HB2 PRO A 35 38.303 -49.210 -5.273 1.00 24.43 H new ATOM 0 HB3 PRO A 35 39.156 -48.030 -6.248 1.00 24.43 H new ATOM 0 HG2 PRO A 35 37.713 -47.637 -3.633 1.00 65.12 H new ATOM 0 HG3 PRO A 35 39.262 -46.994 -4.142 1.00 65.12 H new ATOM 0 HD2 PRO A 35 36.998 -45.484 -4.215 1.00 42.33 H new ATOM 0 HD3 PRO A 35 38.288 -45.256 -5.379 1.00 42.33 H new ATOM 581 N LEU A 36 35.795 -49.990 -6.617 1.00 10.41 N ATOM 582 CA LEU A 36 34.777 -50.983 -6.293 1.00 54.20 C ATOM 583 C LEU A 36 35.014 -52.278 -7.064 1.00 3.45 C ATOM 584 O LEU A 36 35.526 -52.262 -8.183 1.00 52.33 O ATOM 585 CB LEU A 36 33.384 -50.436 -6.610 1.00 13.22 C ATOM 586 CG LEU A 36 33.238 -49.702 -7.944 1.00 30.34 C ATOM 587 CD1 LEU A 36 33.265 -50.689 -9.101 1.00 11.41 C ATOM 588 CD2 LEU A 36 31.954 -48.886 -7.966 1.00 31.11 C ATOM 0 H LEU A 36 36.421 -50.260 -7.375 1.00 10.41 H new ATOM 0 HA LEU A 36 34.842 -51.199 -5.227 1.00 54.20 H new ATOM 0 HB2 LEU A 36 32.678 -51.266 -6.596 1.00 13.22 H new ATOM 0 HB3 LEU A 36 33.092 -49.756 -5.810 1.00 13.22 H new ATOM 0 HG LEU A 36 34.080 -49.019 -8.056 1.00 30.34 H new ATOM 0 HD11 LEU A 36 33.160 -50.149 -10.042 1.00 11.41 H new ATOM 0 HD12 LEU A 36 34.212 -51.229 -9.096 1.00 11.41 H new ATOM 0 HD13 LEU A 36 32.443 -51.397 -8.995 1.00 11.41 H new ATOM 0 HD21 LEU A 36 31.867 -48.371 -8.922 1.00 31.11 H new ATOM 0 HD22 LEU A 36 31.099 -49.549 -7.832 1.00 31.11 H new ATOM 0 HD23 LEU A 36 31.975 -48.153 -7.160 1.00 31.11 H new ATOM 600 N LYS A 37 34.638 -53.398 -6.457 1.00 72.32 N ATOM 601 CA LYS A 37 34.806 -54.703 -7.086 1.00 50.14 C ATOM 602 C LYS A 37 34.249 -55.811 -6.199 1.00 30.05 C ATOM 603 O LYS A 37 34.990 -56.582 -5.588 1.00 40.13 O ATOM 604 CB LYS A 37 36.285 -54.964 -7.379 1.00 23.13 C ATOM 605 CG LYS A 37 37.205 -54.615 -6.221 1.00 72.13 C ATOM 606 CD LYS A 37 38.663 -54.850 -6.577 1.00 62.42 C ATOM 607 CE LYS A 37 39.588 -54.424 -5.448 1.00 4.50 C ATOM 608 NZ LYS A 37 39.563 -52.950 -5.237 1.00 14.41 N ATOM 0 H LYS A 37 34.215 -53.429 -5.530 1.00 72.32 H new ATOM 0 HA LYS A 37 34.251 -54.700 -8.024 1.00 50.14 H new ATOM 0 HB2 LYS A 37 36.417 -56.016 -7.632 1.00 23.13 H new ATOM 0 HB3 LYS A 37 36.581 -54.386 -8.254 1.00 23.13 H new ATOM 0 HG2 LYS A 37 37.061 -53.571 -5.943 1.00 72.13 H new ATOM 0 HG3 LYS A 37 36.940 -55.216 -5.351 1.00 72.13 H new ATOM 0 HD2 LYS A 37 38.819 -55.906 -6.798 1.00 62.42 H new ATOM 0 HD3 LYS A 37 38.912 -54.295 -7.482 1.00 62.42 H new ATOM 0 HE2 LYS A 37 39.293 -54.928 -4.527 1.00 4.50 H new ATOM 0 HE3 LYS A 37 40.606 -54.741 -5.673 1.00 4.50 H new ATOM 0 HZ1 LYS A 37 40.355 -52.674 -4.622 1.00 14.41 H new ATOM 0 HZ2 LYS A 37 39.651 -52.467 -6.154 1.00 14.41 H new ATOM 0 HZ3 LYS A 37 38.665 -52.679 -4.788 1.00 14.41 H new ATOM 622 N PRO A 38 32.912 -55.895 -6.124 1.00 64.52 N ATOM 623 CA PRO A 38 32.227 -56.908 -5.315 1.00 51.41 C ATOM 624 C PRO A 38 32.382 -58.311 -5.890 1.00 34.52 C ATOM 625 O PRO A 38 32.146 -59.305 -5.202 1.00 32.32 O ATOM 626 CB PRO A 38 30.761 -56.468 -5.364 1.00 65.13 C ATOM 627 CG PRO A 38 30.641 -55.691 -6.630 1.00 23.22 C ATOM 628 CD PRO A 38 31.967 -55.010 -6.825 1.00 4.21 C ATOM 0 HA PRO A 38 32.635 -56.969 -4.306 1.00 51.41 H new ATOM 0 HB2 PRO A 38 30.090 -57.327 -5.361 1.00 65.13 H new ATOM 0 HB3 PRO A 38 30.502 -55.858 -4.499 1.00 65.13 H new ATOM 0 HG2 PRO A 38 30.412 -56.347 -7.470 1.00 23.22 H new ATOM 0 HG3 PRO A 38 29.834 -54.962 -6.565 1.00 23.22 H new ATOM 0 HD2 PRO A 38 32.217 -54.912 -7.881 1.00 4.21 H new ATOM 0 HD3 PRO A 38 31.969 -54.005 -6.402 1.00 4.21 H new ATOM 636 N THR A 39 32.780 -58.387 -7.156 1.00 20.20 N ATOM 637 CA THR A 39 32.966 -59.669 -7.823 1.00 74.44 C ATOM 638 C THR A 39 33.969 -60.539 -7.075 1.00 0.14 C ATOM 639 O THR A 39 33.926 -61.767 -7.157 1.00 41.42 O ATOM 640 CB THR A 39 33.448 -59.483 -9.274 1.00 54.25 C ATOM 641 OG1 THR A 39 32.692 -58.447 -9.912 1.00 73.44 O ATOM 642 CG2 THR A 39 33.309 -60.777 -10.061 1.00 72.35 C ATOM 0 H THR A 39 32.980 -57.575 -7.740 1.00 20.20 H new ATOM 0 HA THR A 39 31.995 -60.164 -7.831 1.00 74.44 H new ATOM 0 HB THR A 39 34.501 -59.202 -9.251 1.00 54.25 H new ATOM 0 HG1 THR A 39 33.005 -58.333 -10.834 1.00 73.44 H new ATOM 0 HG21 THR A 39 33.656 -60.621 -11.083 1.00 72.35 H new ATOM 0 HG22 THR A 39 33.909 -61.556 -9.590 1.00 72.35 H new ATOM 0 HG23 THR A 39 32.263 -61.083 -10.076 1.00 72.35 H new ATOM 650 N LYS A 40 34.872 -59.895 -6.343 1.00 21.44 N ATOM 651 CA LYS A 40 35.886 -60.610 -5.576 1.00 44.43 C ATOM 652 C LYS A 40 35.249 -61.674 -4.689 1.00 53.10 C ATOM 653 O LYS A 40 35.845 -62.719 -4.431 1.00 65.42 O ATOM 654 CB LYS A 40 36.691 -59.630 -4.718 1.00 74.25 C ATOM 655 CG LYS A 40 35.903 -59.051 -3.556 1.00 72.02 C ATOM 656 CD LYS A 40 36.777 -58.182 -2.668 1.00 23.33 C ATOM 657 CE LYS A 40 37.023 -56.817 -3.292 1.00 25.15 C ATOM 658 NZ LYS A 40 37.722 -55.896 -2.353 1.00 22.11 N ATOM 0 H LYS A 40 34.922 -58.879 -6.265 1.00 21.44 H new ATOM 0 HA LYS A 40 36.556 -61.104 -6.280 1.00 44.43 H new ATOM 0 HB2 LYS A 40 37.573 -60.139 -4.330 1.00 74.25 H new ATOM 0 HB3 LYS A 40 37.045 -58.814 -5.348 1.00 74.25 H new ATOM 0 HG2 LYS A 40 35.070 -58.461 -3.938 1.00 72.02 H new ATOM 0 HG3 LYS A 40 35.475 -59.861 -2.966 1.00 72.02 H new ATOM 0 HD2 LYS A 40 36.300 -58.058 -1.696 1.00 23.33 H new ATOM 0 HD3 LYS A 40 37.730 -58.681 -2.494 1.00 23.33 H new ATOM 0 HE2 LYS A 40 37.619 -56.934 -4.197 1.00 25.15 H new ATOM 0 HE3 LYS A 40 36.071 -56.377 -3.591 1.00 25.15 H new ATOM 0 HZ1 LYS A 40 37.871 -54.976 -2.815 1.00 22.11 H new ATOM 0 HZ2 LYS A 40 37.142 -55.764 -1.500 1.00 22.11 H new ATOM 0 HZ3 LYS A 40 38.641 -56.303 -2.087 1.00 22.11 H new ATOM 672 N ARG A 41 34.033 -61.401 -4.226 1.00 62.31 N ATOM 673 CA ARG A 41 33.315 -62.336 -3.368 1.00 50.11 C ATOM 674 C ARG A 41 32.871 -63.565 -4.155 1.00 61.51 C ATOM 675 O ARG A 41 32.955 -64.692 -3.666 1.00 4.21 O ATOM 676 CB ARG A 41 32.099 -61.653 -2.740 1.00 31.15 C ATOM 677 CG ARG A 41 32.441 -60.388 -1.970 1.00 51.43 C ATOM 678 CD ARG A 41 33.468 -60.658 -0.882 1.00 42.41 C ATOM 679 NE ARG A 41 32.966 -61.588 0.126 1.00 42.41 N ATOM 680 CZ ARG A 41 33.665 -61.965 1.190 1.00 23.24 C ATOM 681 NH1 ARG A 41 34.889 -61.495 1.385 1.00 44.51 N ATOM 682 NH2 ARG A 41 33.140 -62.815 2.063 1.00 32.24 N ATOM 0 H ARG A 41 33.525 -60.541 -4.431 1.00 62.31 H new ATOM 0 HA ARG A 41 33.992 -62.658 -2.577 1.00 50.11 H new ATOM 0 HB2 ARG A 41 31.384 -61.408 -3.526 1.00 31.15 H new ATOM 0 HB3 ARG A 41 31.605 -62.355 -2.068 1.00 31.15 H new ATOM 0 HG2 ARG A 41 32.827 -59.636 -2.658 1.00 51.43 H new ATOM 0 HG3 ARG A 41 31.536 -59.977 -1.523 1.00 51.43 H new ATOM 0 HD2 ARG A 41 34.374 -61.065 -1.332 1.00 42.41 H new ATOM 0 HD3 ARG A 41 33.744 -59.719 -0.403 1.00 42.41 H new ATOM 0 HE ARG A 41 32.027 -61.969 0.006 1.00 42.41 H new ATOM 0 HH11 ARG A 41 35.297 -60.841 0.716 1.00 44.51 H new ATOM 0 HH12 ARG A 41 35.423 -61.787 2.204 1.00 44.51 H new ATOM 0 HH21 ARG A 41 32.199 -63.179 1.917 1.00 32.24 H new ATOM 0 HH22 ARG A 41 33.678 -63.104 2.880 1.00 32.24 H new ATOM 696 N SER A 42 32.398 -63.341 -5.377 1.00 13.33 N ATOM 697 CA SER A 42 31.936 -64.429 -6.230 1.00 63.40 C ATOM 698 C SER A 42 30.920 -65.300 -5.498 1.00 33.01 C ATOM 699 O SER A 42 30.811 -66.499 -5.756 1.00 44.12 O ATOM 700 CB SER A 42 33.120 -65.283 -6.688 1.00 62.40 C ATOM 701 OG SER A 42 33.456 -66.255 -5.712 1.00 51.25 O ATOM 0 H SER A 42 32.325 -62.415 -5.798 1.00 13.33 H new ATOM 0 HA SER A 42 31.452 -63.992 -7.103 1.00 63.40 H new ATOM 0 HB2 SER A 42 32.874 -65.777 -7.628 1.00 62.40 H new ATOM 0 HB3 SER A 42 33.981 -64.643 -6.880 1.00 62.40 H new ATOM 0 HG SER A 42 33.401 -65.855 -4.819 1.00 51.25 H new ATOM 707 N PHE A 43 30.176 -64.688 -4.582 1.00 41.44 N ATOM 708 CA PHE A 43 29.168 -65.406 -3.811 1.00 3.31 C ATOM 709 C PHE A 43 28.019 -65.860 -4.707 1.00 25.05 C ATOM 710 O PHE A 43 27.490 -66.960 -4.544 1.00 54.33 O ATOM 711 CB PHE A 43 28.632 -64.521 -2.684 1.00 11.41 C ATOM 712 CG PHE A 43 27.565 -65.182 -1.859 1.00 3.34 C ATOM 713 CD1 PHE A 43 26.225 -64.934 -2.108 1.00 30.04 C ATOM 714 CD2 PHE A 43 27.903 -66.050 -0.833 1.00 71.43 C ATOM 715 CE1 PHE A 43 25.241 -65.541 -1.350 1.00 52.02 C ATOM 716 CE2 PHE A 43 26.923 -66.661 -0.073 1.00 3.51 C ATOM 717 CZ PHE A 43 25.591 -66.405 -0.331 1.00 13.41 C ATOM 0 H PHE A 43 30.252 -63.696 -4.356 1.00 41.44 H new ATOM 0 HA PHE A 43 29.638 -66.289 -3.378 1.00 3.31 H new ATOM 0 HB2 PHE A 43 29.458 -64.235 -2.033 1.00 11.41 H new ATOM 0 HB3 PHE A 43 28.232 -63.603 -3.113 1.00 11.41 H new ATOM 0 HD1 PHE A 43 25.946 -64.259 -2.903 1.00 30.04 H new ATOM 0 HD2 PHE A 43 28.943 -66.251 -0.625 1.00 71.43 H new ATOM 0 HE1 PHE A 43 24.200 -65.340 -1.554 1.00 52.02 H new ATOM 0 HE2 PHE A 43 27.199 -67.338 0.722 1.00 3.51 H new ATOM 0 HZ PHE A 43 24.824 -66.880 0.263 1.00 13.41 H new ATOM 727 N ILE A 44 27.640 -65.006 -5.651 1.00 11.33 N ATOM 728 CA ILE A 44 26.555 -65.319 -6.572 1.00 51.02 C ATOM 729 C ILE A 44 27.052 -66.164 -7.740 1.00 42.22 C ATOM 730 O ILE A 44 26.285 -66.906 -8.353 1.00 1.41 O ATOM 731 CB ILE A 44 25.896 -64.040 -7.122 1.00 44.12 C ATOM 732 CG1 ILE A 44 26.900 -63.243 -7.959 1.00 15.03 C ATOM 733 CG2 ILE A 44 25.356 -63.190 -5.982 1.00 30.11 C ATOM 734 CD1 ILE A 44 26.758 -63.468 -9.448 1.00 13.41 C ATOM 0 H ILE A 44 28.068 -64.092 -5.798 1.00 11.33 H new ATOM 0 HA ILE A 44 25.815 -65.885 -6.006 1.00 51.02 H new ATOM 0 HB ILE A 44 25.062 -64.325 -7.763 1.00 44.12 H new ATOM 0 HG12 ILE A 44 26.776 -62.181 -7.747 1.00 15.03 H new ATOM 0 HG13 ILE A 44 27.911 -63.513 -7.654 1.00 15.03 H new ATOM 0 HG21 ILE A 44 24.893 -62.290 -6.387 1.00 30.11 H new ATOM 0 HG22 ILE A 44 24.613 -63.760 -5.423 1.00 30.11 H new ATOM 0 HG23 ILE A 44 26.174 -62.910 -5.318 1.00 30.11 H new ATOM 0 HD11 ILE A 44 27.501 -62.872 -9.978 1.00 13.41 H new ATOM 0 HD12 ILE A 44 26.912 -64.523 -9.673 1.00 13.41 H new ATOM 0 HD13 ILE A 44 25.759 -63.171 -9.767 1.00 13.41 H new ATOM 746 N GLU A 45 28.342 -66.047 -8.041 1.00 52.34 N ATOM 747 CA GLU A 45 28.941 -66.801 -9.136 1.00 25.13 C ATOM 748 C GLU A 45 29.414 -68.171 -8.657 1.00 71.04 C ATOM 749 O GLU A 45 29.699 -69.057 -9.463 1.00 22.20 O ATOM 750 CB GLU A 45 30.116 -66.025 -9.736 1.00 31.40 C ATOM 751 CG GLU A 45 30.646 -66.627 -11.027 1.00 3.53 C ATOM 752 CD GLU A 45 31.691 -65.752 -11.691 1.00 43.35 C ATOM 753 OE1 GLU A 45 32.839 -65.722 -11.200 1.00 62.52 O ATOM 754 OE2 GLU A 45 31.362 -65.097 -12.702 1.00 12.50 O ATOM 0 H GLU A 45 28.991 -65.438 -7.543 1.00 52.34 H new ATOM 0 HA GLU A 45 28.180 -66.945 -9.903 1.00 25.13 H new ATOM 0 HB2 GLU A 45 29.804 -64.998 -9.925 1.00 31.40 H new ATOM 0 HB3 GLU A 45 30.924 -65.983 -9.006 1.00 31.40 H new ATOM 0 HG2 GLU A 45 31.077 -67.606 -10.817 1.00 3.53 H new ATOM 0 HG3 GLU A 45 29.817 -66.785 -11.717 1.00 3.53 H new ATOM 761 N ASP A 46 29.494 -68.336 -7.342 1.00 25.12 N ATOM 762 CA ASP A 46 29.932 -69.597 -6.755 1.00 33.52 C ATOM 763 C ASP A 46 29.152 -70.769 -7.342 1.00 74.52 C ATOM 764 O ASP A 46 29.737 -71.721 -7.861 1.00 31.11 O ATOM 765 CB ASP A 46 29.759 -69.564 -5.235 1.00 65.44 C ATOM 766 CG ASP A 46 30.526 -70.673 -4.542 1.00 21.14 C ATOM 767 OD1 ASP A 46 30.387 -71.842 -4.959 1.00 22.11 O ATOM 768 OD2 ASP A 46 31.266 -70.372 -3.582 1.00 13.32 O ATOM 0 H ASP A 46 29.261 -67.612 -6.662 1.00 25.12 H new ATOM 0 HA ASP A 46 30.988 -69.732 -6.990 1.00 33.52 H new ATOM 0 HB2 ASP A 46 30.096 -68.600 -4.854 1.00 65.44 H new ATOM 0 HB3 ASP A 46 28.700 -69.650 -4.991 1.00 65.44 H new ATOM 773 N LEU A 47 27.828 -70.695 -7.256 1.00 41.24 N ATOM 774 CA LEU A 47 26.967 -71.750 -7.779 1.00 32.14 C ATOM 775 C LEU A 47 26.642 -71.510 -9.249 1.00 52.14 C ATOM 776 O LEU A 47 26.126 -72.394 -9.935 1.00 23.01 O ATOM 777 CB LEU A 47 25.674 -71.829 -6.965 1.00 73.32 C ATOM 778 CG LEU A 47 25.065 -70.492 -6.540 1.00 61.53 C ATOM 779 CD1 LEU A 47 25.795 -69.935 -5.328 1.00 42.45 C ATOM 780 CD2 LEU A 47 25.103 -69.499 -7.692 1.00 42.13 C ATOM 0 H LEU A 47 27.328 -69.915 -6.829 1.00 41.24 H new ATOM 0 HA LEU A 47 27.501 -72.696 -7.695 1.00 32.14 H new ATOM 0 HB2 LEU A 47 24.933 -72.373 -7.550 1.00 73.32 H new ATOM 0 HB3 LEU A 47 25.868 -72.418 -6.069 1.00 73.32 H new ATOM 0 HG LEU A 47 24.023 -70.659 -6.266 1.00 61.53 H new ATOM 0 HD11 LEU A 47 25.348 -68.984 -5.040 1.00 42.45 H new ATOM 0 HD12 LEU A 47 25.715 -70.639 -4.500 1.00 42.45 H new ATOM 0 HD13 LEU A 47 26.846 -69.782 -5.574 1.00 42.45 H new ATOM 0 HD21 LEU A 47 24.666 -68.553 -7.372 1.00 42.13 H new ATOM 0 HD22 LEU A 47 26.136 -69.336 -7.998 1.00 42.13 H new ATOM 0 HD23 LEU A 47 24.534 -69.895 -8.533 1.00 42.13 H new ATOM 792 N LEU A 48 26.948 -70.310 -9.729 1.00 42.41 N ATOM 793 CA LEU A 48 26.691 -69.953 -11.120 1.00 70.11 C ATOM 794 C LEU A 48 27.787 -70.494 -12.032 1.00 42.05 C ATOM 795 O LEU A 48 27.590 -70.640 -13.239 1.00 14.30 O ATOM 796 CB LEU A 48 26.592 -68.434 -11.268 1.00 2.21 C ATOM 797 CG LEU A 48 25.696 -67.926 -12.398 1.00 63.34 C ATOM 798 CD1 LEU A 48 24.232 -68.179 -12.074 1.00 22.43 C ATOM 799 CD2 LEU A 48 25.941 -66.445 -12.649 1.00 34.35 C ATOM 0 H LEU A 48 27.375 -69.567 -9.175 1.00 42.41 H new ATOM 0 HA LEU A 48 25.743 -70.403 -11.415 1.00 70.11 H new ATOM 0 HB2 LEU A 48 26.227 -68.021 -10.328 1.00 2.21 H new ATOM 0 HB3 LEU A 48 27.596 -68.038 -11.421 1.00 2.21 H new ATOM 0 HG LEU A 48 25.945 -68.474 -13.307 1.00 63.34 H new ATOM 0 HD11 LEU A 48 23.610 -67.811 -12.890 1.00 22.43 H new ATOM 0 HD12 LEU A 48 24.067 -69.249 -11.946 1.00 22.43 H new ATOM 0 HD13 LEU A 48 23.968 -67.659 -11.153 1.00 22.43 H new ATOM 0 HD21 LEU A 48 25.295 -66.101 -13.456 1.00 34.35 H new ATOM 0 HD22 LEU A 48 25.721 -65.881 -11.743 1.00 34.35 H new ATOM 0 HD23 LEU A 48 26.983 -66.291 -12.928 1.00 34.35 H new ATOM 811 N PHE A 49 28.943 -70.792 -11.448 1.00 32.11 N ATOM 812 CA PHE A 49 30.071 -71.318 -12.208 1.00 34.52 C ATOM 813 C PHE A 49 29.803 -72.752 -12.656 1.00 32.44 C ATOM 814 O PHE A 49 30.345 -73.212 -13.660 1.00 11.31 O ATOM 815 CB PHE A 49 31.348 -71.265 -11.368 1.00 4.31 C ATOM 816 CG PHE A 49 32.590 -71.599 -12.144 1.00 3.31 C ATOM 817 CD1 PHE A 49 33.400 -72.656 -11.760 1.00 54.21 C ATOM 818 CD2 PHE A 49 32.949 -70.855 -13.257 1.00 33.12 C ATOM 819 CE1 PHE A 49 34.543 -72.966 -12.472 1.00 71.12 C ATOM 820 CE2 PHE A 49 34.090 -71.161 -13.973 1.00 5.01 C ATOM 821 CZ PHE A 49 34.889 -72.217 -13.579 1.00 42.15 C ATOM 0 H PHE A 49 29.123 -70.678 -10.451 1.00 32.11 H new ATOM 0 HA PHE A 49 30.201 -70.697 -13.094 1.00 34.52 H new ATOM 0 HB2 PHE A 49 31.452 -70.267 -10.943 1.00 4.31 H new ATOM 0 HB3 PHE A 49 31.253 -71.959 -10.533 1.00 4.31 H new ATOM 0 HD1 PHE A 49 33.135 -73.244 -10.894 1.00 54.21 H new ATOM 0 HD2 PHE A 49 32.330 -70.027 -13.568 1.00 33.12 H new ATOM 0 HE1 PHE A 49 35.165 -73.793 -12.163 1.00 71.12 H new ATOM 0 HE2 PHE A 49 34.357 -70.575 -14.840 1.00 5.01 H new ATOM 0 HZ PHE A 49 35.783 -72.456 -14.136 1.00 42.15 H new ATOM 831 N ASN A 50 28.963 -73.454 -11.902 1.00 30.34 N ATOM 832 CA ASN A 50 28.623 -74.837 -12.219 1.00 45.44 C ATOM 833 C ASN A 50 27.506 -74.898 -13.256 1.00 51.22 C ATOM 834 O ASN A 50 27.391 -75.868 -14.005 1.00 73.21 O ATOM 835 CB ASN A 50 28.201 -75.584 -10.953 1.00 12.11 C ATOM 836 CG ASN A 50 28.472 -77.073 -11.043 1.00 32.32 C ATOM 837 OD1 ASN A 50 27.737 -77.811 -11.700 1.00 13.33 O ATOM 838 ND2 ASN A 50 29.532 -77.523 -10.381 1.00 15.34 N ATOM 0 H ASN A 50 28.505 -73.088 -11.067 1.00 30.34 H new ATOM 0 HA ASN A 50 29.509 -75.316 -12.636 1.00 45.44 H new ATOM 0 HB2 ASN A 50 28.734 -75.172 -10.096 1.00 12.11 H new ATOM 0 HB3 ASN A 50 27.138 -75.421 -10.776 1.00 12.11 H new ATOM 0 HD21 ASN A 50 29.764 -78.516 -10.405 1.00 15.34 H new ATOM 0 HD22 ASN A 50 30.114 -76.876 -9.849 1.00 15.34 H new ATOM 845 N LYS A 51 26.684 -73.854 -13.295 1.00 23.24 N ATOM 846 CA LYS A 51 25.576 -73.787 -14.240 1.00 44.51 C ATOM 847 C LYS A 51 25.970 -72.997 -15.484 1.00 43.42 C ATOM 848 O LYS A 51 25.123 -72.395 -16.144 1.00 72.10 O ATOM 849 CB LYS A 51 24.355 -73.143 -13.580 1.00 75.44 C ATOM 850 CG LYS A 51 23.529 -74.113 -12.754 1.00 34.55 C ATOM 851 CD LYS A 51 24.211 -74.445 -11.437 1.00 33.11 C ATOM 852 CE LYS A 51 23.397 -75.439 -10.622 1.00 52.32 C ATOM 853 NZ LYS A 51 23.116 -76.685 -11.387 1.00 61.12 N ATOM 0 H LYS A 51 26.765 -73.042 -12.682 1.00 23.24 H new ATOM 0 HA LYS A 51 25.325 -74.804 -14.541 1.00 44.51 H new ATOM 0 HB2 LYS A 51 24.687 -72.325 -12.940 1.00 75.44 H new ATOM 0 HB3 LYS A 51 23.722 -72.707 -14.353 1.00 75.44 H new ATOM 0 HG2 LYS A 51 22.548 -73.681 -12.558 1.00 34.55 H new ATOM 0 HG3 LYS A 51 23.367 -75.029 -13.322 1.00 34.55 H new ATOM 0 HD2 LYS A 51 25.201 -74.858 -11.633 1.00 33.11 H new ATOM 0 HD3 LYS A 51 24.355 -73.531 -10.860 1.00 33.11 H new ATOM 0 HE2 LYS A 51 23.937 -75.688 -9.708 1.00 52.32 H new ATOM 0 HE3 LYS A 51 22.456 -74.978 -10.321 1.00 52.32 H new ATOM 0 HZ1 LYS A 51 22.791 -77.427 -10.735 1.00 61.12 H new ATOM 0 HZ2 LYS A 51 22.378 -76.498 -12.095 1.00 61.12 H new ATOM 0 HZ3 LYS A 51 23.983 -77.001 -11.866 1.00 61.12 H new ATOM 867 N VAL A 52 27.262 -73.004 -15.800 1.00 14.41 N ATOM 868 CA VAL A 52 27.767 -72.290 -16.966 1.00 42.05 C ATOM 869 C VAL A 52 27.424 -73.029 -18.255 1.00 35.34 C ATOM 870 O VAL A 52 27.311 -72.424 -19.321 1.00 11.51 O ATOM 871 CB VAL A 52 29.294 -72.098 -16.889 1.00 75.21 C ATOM 872 CG1 VAL A 52 29.664 -71.243 -15.687 1.00 22.42 C ATOM 873 CG2 VAL A 52 29.997 -73.446 -16.833 1.00 1.22 C ATOM 0 H VAL A 52 27.977 -73.496 -15.264 1.00 14.41 H new ATOM 0 HA VAL A 52 27.285 -71.313 -16.971 1.00 42.05 H new ATOM 0 HB VAL A 52 29.625 -71.579 -17.789 1.00 75.21 H new ATOM 0 HG11 VAL A 52 30.746 -71.118 -15.649 1.00 22.42 H new ATOM 0 HG12 VAL A 52 29.189 -70.266 -15.775 1.00 22.42 H new ATOM 0 HG13 VAL A 52 29.323 -71.731 -14.774 1.00 22.42 H new ATOM 0 HG21 VAL A 52 31.075 -73.292 -16.779 1.00 1.22 H new ATOM 0 HG22 VAL A 52 29.664 -73.994 -15.951 1.00 1.22 H new ATOM 0 HG23 VAL A 52 29.757 -74.019 -17.728 1.00 1.22 H new ATOM 883 N THR A 53 27.257 -74.344 -18.150 1.00 30.24 N ATOM 884 CA THR A 53 26.927 -75.168 -19.306 1.00 14.42 C ATOM 885 C THR A 53 25.487 -74.937 -19.752 1.00 44.40 C ATOM 886 O THR A 53 25.194 -74.911 -20.948 1.00 51.21 O ATOM 887 CB THR A 53 27.124 -76.665 -19.004 1.00 65.01 C ATOM 888 OG1 THR A 53 26.884 -76.921 -17.616 1.00 31.11 O ATOM 889 CG2 THR A 53 28.533 -77.109 -19.370 1.00 75.43 C ATOM 0 H THR A 53 27.345 -74.861 -17.275 1.00 30.24 H new ATOM 0 HA THR A 53 27.605 -74.874 -20.107 1.00 14.42 H new ATOM 0 HB THR A 53 26.413 -77.231 -19.605 1.00 65.01 H new ATOM 0 HG1 THR A 53 27.010 -77.875 -17.433 1.00 31.11 H new ATOM 0 HG21 THR A 53 28.649 -78.170 -19.148 1.00 75.43 H new ATOM 0 HG22 THR A 53 28.703 -76.940 -20.433 1.00 75.43 H new ATOM 0 HG23 THR A 53 29.257 -76.536 -18.791 1.00 75.43 H new ATOM 897 N LEU A 54 24.593 -74.768 -18.784 1.00 72.45 N ATOM 898 CA LEU A 54 23.182 -74.538 -19.078 1.00 65.40 C ATOM 899 C LEU A 54 22.990 -73.226 -19.831 1.00 0.22 C ATOM 900 O LEU A 54 22.117 -73.114 -20.690 1.00 74.25 O ATOM 901 CB LEU A 54 22.368 -74.521 -17.783 1.00 60.13 C ATOM 902 CG LEU A 54 20.848 -74.537 -17.946 1.00 73.25 C ATOM 903 CD1 LEU A 54 20.364 -75.934 -18.306 1.00 1.45 C ATOM 904 CD2 LEU A 54 20.170 -74.046 -16.676 1.00 33.44 C ATOM 0 H LEU A 54 24.819 -74.786 -17.790 1.00 72.45 H new ATOM 0 HA LEU A 54 22.830 -75.353 -19.711 1.00 65.40 H new ATOM 0 HB2 LEU A 54 22.658 -75.384 -17.184 1.00 60.13 H new ATOM 0 HB3 LEU A 54 22.643 -73.632 -17.216 1.00 60.13 H new ATOM 0 HG LEU A 54 20.582 -73.862 -18.760 1.00 73.25 H new ATOM 0 HD11 LEU A 54 19.280 -75.926 -18.418 1.00 1.45 H new ATOM 0 HD12 LEU A 54 20.823 -76.248 -19.243 1.00 1.45 H new ATOM 0 HD13 LEU A 54 20.642 -76.630 -17.515 1.00 1.45 H new ATOM 0 HD21 LEU A 54 19.088 -74.064 -16.811 1.00 33.44 H new ATOM 0 HD22 LEU A 54 20.443 -74.695 -15.844 1.00 33.44 H new ATOM 0 HD23 LEU A 54 20.492 -73.027 -16.462 1.00 33.44 H new ATOM 916 N ALA A 55 23.813 -72.235 -19.503 1.00 22.32 N ATOM 917 CA ALA A 55 23.736 -70.932 -20.151 1.00 4.13 C ATOM 918 C ALA A 55 23.856 -71.064 -21.665 1.00 51.22 C ATOM 919 O ALA A 55 23.348 -70.227 -22.413 1.00 25.53 O ATOM 920 CB ALA A 55 24.820 -70.010 -19.612 1.00 64.01 C ATOM 0 H ALA A 55 24.541 -72.310 -18.792 1.00 22.32 H new ATOM 0 HA ALA A 55 22.761 -70.499 -19.927 1.00 4.13 H new ATOM 0 HB1 ALA A 55 24.751 -69.040 -20.105 1.00 64.01 H new ATOM 0 HB2 ALA A 55 24.687 -69.882 -18.538 1.00 64.01 H new ATOM 0 HB3 ALA A 55 25.799 -70.447 -19.807 1.00 64.01 H new ATOM 926 N ASP A 56 24.530 -72.118 -22.111 1.00 61.01 N ATOM 927 CA ASP A 56 24.716 -72.359 -23.537 1.00 60.52 C ATOM 928 C ASP A 56 23.415 -72.825 -24.184 1.00 22.44 C ATOM 929 O ASP A 56 23.111 -72.464 -25.320 1.00 12.53 O ATOM 930 CB ASP A 56 25.813 -73.402 -23.761 1.00 0.50 C ATOM 931 CG ASP A 56 27.183 -72.896 -23.355 1.00 3.03 C ATOM 932 OD1 ASP A 56 27.309 -71.687 -23.068 1.00 42.35 O ATOM 933 OD2 ASP A 56 28.130 -73.710 -23.322 1.00 13.20 O ATOM 0 H ASP A 56 24.957 -72.819 -21.506 1.00 61.01 H new ATOM 0 HA ASP A 56 25.017 -71.420 -24.003 1.00 60.52 H new ATOM 0 HB2 ASP A 56 25.577 -74.301 -23.192 1.00 0.50 H new ATOM 0 HB3 ASP A 56 25.831 -73.686 -24.813 1.00 0.50 H new ATOM 938 N ALA A 57 22.652 -73.631 -23.452 1.00 42.00 N ATOM 939 CA ALA A 57 21.384 -74.146 -23.954 1.00 1.44 C ATOM 940 C ALA A 57 20.454 -73.009 -24.364 1.00 43.14 C ATOM 941 O ALA A 57 19.640 -73.158 -25.274 1.00 73.22 O ATOM 942 CB ALA A 57 20.718 -75.022 -22.903 1.00 54.32 C ATOM 0 H ALA A 57 22.890 -73.941 -22.510 1.00 42.00 H new ATOM 0 HA ALA A 57 21.589 -74.750 -24.838 1.00 1.44 H new ATOM 0 HB1 ALA A 57 19.772 -75.400 -23.291 1.00 54.32 H new ATOM 0 HB2 ALA A 57 21.372 -75.860 -22.660 1.00 54.32 H new ATOM 0 HB3 ALA A 57 20.533 -74.434 -22.004 1.00 54.32 H new ATOM 948 N GLY A 58 20.581 -71.872 -23.687 1.00 4.03 N ATOM 949 CA GLY A 58 19.745 -70.727 -23.996 1.00 2.23 C ATOM 950 C GLY A 58 19.935 -70.237 -25.418 1.00 2.04 C ATOM 951 O GLY A 58 18.968 -69.894 -26.098 1.00 62.33 O ATOM 0 H GLY A 58 21.248 -71.723 -22.930 1.00 4.03 H new ATOM 0 HA2 GLY A 58 18.699 -70.993 -23.843 1.00 2.23 H new ATOM 0 HA3 GLY A 58 19.972 -69.917 -23.303 1.00 2.23 H new ATOM 955 N PHE A 59 21.185 -70.202 -25.868 1.00 1.14 N ATOM 956 CA PHE A 59 21.499 -69.748 -27.217 1.00 43.52 C ATOM 957 C PHE A 59 20.865 -70.663 -28.261 1.00 3.25 C ATOM 958 O PHE A 59 20.444 -70.210 -29.325 1.00 20.24 O ATOM 959 CB PHE A 59 23.015 -69.696 -27.421 1.00 32.01 C ATOM 960 CG PHE A 59 23.445 -68.717 -28.476 1.00 31.30 C ATOM 961 CD1 PHE A 59 23.080 -67.383 -28.392 1.00 65.20 C ATOM 962 CD2 PHE A 59 24.213 -69.132 -29.552 1.00 43.40 C ATOM 963 CE1 PHE A 59 23.475 -66.480 -29.361 1.00 51.20 C ATOM 964 CE2 PHE A 59 24.611 -68.233 -30.524 1.00 10.23 C ATOM 965 CZ PHE A 59 24.240 -66.906 -30.429 1.00 3.42 C ATOM 0 H PHE A 59 21.997 -70.483 -25.318 1.00 1.14 H new ATOM 0 HA PHE A 59 21.088 -68.746 -27.341 1.00 43.52 H new ATOM 0 HB2 PHE A 59 23.492 -69.433 -26.477 1.00 32.01 H new ATOM 0 HB3 PHE A 59 23.371 -70.690 -27.692 1.00 32.01 H new ATOM 0 HD1 PHE A 59 22.480 -67.045 -27.560 1.00 65.20 H new ATOM 0 HD2 PHE A 59 24.504 -70.169 -29.632 1.00 43.40 H new ATOM 0 HE1 PHE A 59 23.186 -65.442 -29.283 1.00 51.20 H new ATOM 0 HE2 PHE A 59 25.211 -68.568 -31.357 1.00 10.23 H new ATOM 0 HZ PHE A 59 24.548 -66.203 -31.189 1.00 3.42 H new ATOM 975 N MET A 60 20.802 -71.953 -27.947 1.00 41.21 N ATOM 976 CA MET A 60 20.219 -72.932 -28.857 1.00 22.21 C ATOM 977 C MET A 60 18.708 -72.749 -28.957 1.00 21.41 C ATOM 978 O MET A 60 18.098 -73.079 -29.975 1.00 4.33 O ATOM 979 CB MET A 60 20.543 -74.352 -28.388 1.00 10.14 C ATOM 980 CG MET A 60 20.630 -75.361 -29.521 1.00 22.43 C ATOM 981 SD MET A 60 21.142 -76.996 -28.957 1.00 2.30 S ATOM 982 CE MET A 60 22.885 -76.718 -28.653 1.00 24.30 C ATOM 0 H MET A 60 21.147 -72.344 -27.070 1.00 41.21 H new ATOM 0 HA MET A 60 20.652 -72.776 -29.845 1.00 22.21 H new ATOM 0 HB2 MET A 60 21.490 -74.341 -27.849 1.00 10.14 H new ATOM 0 HB3 MET A 60 19.778 -74.676 -27.682 1.00 10.14 H new ATOM 0 HG2 MET A 60 19.659 -75.437 -30.010 1.00 22.43 H new ATOM 0 HG3 MET A 60 21.336 -75.001 -30.269 1.00 22.43 H new ATOM 0 HE1 MET A 60 23.442 -77.629 -28.873 1.00 24.30 H new ATOM 0 HE2 MET A 60 23.242 -75.911 -29.293 1.00 24.30 H new ATOM 0 HE3 MET A 60 23.033 -76.445 -27.608 1.00 24.30 H new ATOM 992 N LYS A 61 18.109 -72.223 -27.894 1.00 53.25 N ATOM 993 CA LYS A 61 16.669 -71.995 -27.862 1.00 71.02 C ATOM 994 C LYS A 61 16.300 -70.733 -28.636 1.00 62.31 C ATOM 995 O LYS A 61 15.253 -70.674 -29.280 1.00 42.01 O ATOM 996 CB LYS A 61 16.182 -71.879 -26.416 1.00 23.51 C ATOM 997 CG LYS A 61 14.727 -72.272 -26.230 1.00 70.55 C ATOM 998 CD LYS A 61 13.800 -71.083 -26.418 1.00 30.15 C ATOM 999 CE LYS A 61 12.385 -71.402 -25.960 1.00 71.00 C ATOM 1000 NZ LYS A 61 11.433 -70.307 -26.296 1.00 62.25 N ATOM 0 H LYS A 61 18.599 -71.946 -27.043 1.00 53.25 H new ATOM 0 HA LYS A 61 16.181 -72.847 -28.336 1.00 71.02 H new ATOM 0 HB2 LYS A 61 16.804 -72.510 -25.781 1.00 23.51 H new ATOM 0 HB3 LYS A 61 16.318 -70.852 -26.077 1.00 23.51 H new ATOM 0 HG2 LYS A 61 14.466 -73.054 -26.943 1.00 70.55 H new ATOM 0 HG3 LYS A 61 14.587 -72.690 -25.233 1.00 70.55 H new ATOM 0 HD2 LYS A 61 14.182 -70.230 -25.857 1.00 30.15 H new ATOM 0 HD3 LYS A 61 13.787 -70.793 -27.469 1.00 30.15 H new ATOM 0 HE2 LYS A 61 12.052 -72.329 -26.428 1.00 71.00 H new ATOM 0 HE3 LYS A 61 12.381 -71.569 -24.883 1.00 71.00 H new ATOM 0 HZ1 LYS A 61 10.480 -70.563 -25.967 1.00 62.25 H new ATOM 0 HZ2 LYS A 61 11.736 -69.428 -25.829 1.00 62.25 H new ATOM 0 HZ3 LYS A 61 11.417 -70.164 -27.326 1.00 62.25 H new ATOM 1014 N GLN A 62 17.168 -69.729 -28.569 1.00 14.42 N ATOM 1015 CA GLN A 62 16.932 -68.469 -29.264 1.00 42.14 C ATOM 1016 C GLN A 62 16.979 -68.665 -30.776 1.00 45.31 C ATOM 1017 O GLN A 62 16.086 -68.222 -31.498 1.00 13.52 O ATOM 1018 CB GLN A 62 17.968 -67.427 -28.841 1.00 3.55 C ATOM 1019 CG GLN A 62 17.617 -66.711 -27.546 1.00 52.54 C ATOM 1020 CD GLN A 62 16.666 -65.549 -27.762 1.00 22.44 C ATOM 1021 OE1 GLN A 62 15.544 -65.549 -27.255 1.00 53.03 O ATOM 1022 NE2 GLN A 62 17.111 -64.551 -28.516 1.00 25.31 N ATOM 0 H GLN A 62 18.040 -69.763 -28.041 1.00 14.42 H new ATOM 0 HA GLN A 62 15.938 -68.114 -28.992 1.00 42.14 H new ATOM 0 HB2 GLN A 62 18.936 -67.915 -28.726 1.00 3.55 H new ATOM 0 HB3 GLN A 62 18.075 -66.690 -29.637 1.00 3.55 H new ATOM 0 HG2 GLN A 62 17.166 -67.421 -26.853 1.00 52.54 H new ATOM 0 HG3 GLN A 62 18.531 -66.346 -27.078 1.00 52.54 H new ATOM 0 HE21 GLN A 62 18.048 -64.593 -28.916 1.00 25.31 H new ATOM 0 HE22 GLN A 62 16.516 -63.742 -28.695 1.00 25.31 H new ATOM 1031 N TYR A 63 18.027 -69.330 -31.249 1.00 23.32 N ATOM 1032 CA TYR A 63 18.193 -69.582 -32.675 1.00 75.34 C ATOM 1033 C TYR A 63 17.282 -70.716 -33.138 1.00 13.44 C ATOM 1034 O TYR A 63 16.714 -70.666 -34.228 1.00 2.00 O ATOM 1035 CB TYR A 63 19.650 -69.924 -32.989 1.00 21.53 C ATOM 1036 CG TYR A 63 20.042 -69.647 -34.422 1.00 64.44 C ATOM 1037 CD1 TYR A 63 19.841 -68.395 -34.989 1.00 13.44 C ATOM 1038 CD2 TYR A 63 20.614 -70.638 -35.211 1.00 73.21 C ATOM 1039 CE1 TYR A 63 20.197 -68.137 -36.298 1.00 51.23 C ATOM 1040 CE2 TYR A 63 20.974 -70.389 -36.521 1.00 63.11 C ATOM 1041 CZ TYR A 63 20.764 -69.137 -37.060 1.00 73.12 C ATOM 1042 OH TYR A 63 21.120 -68.885 -38.365 1.00 63.42 O ATOM 0 H TYR A 63 18.775 -69.704 -30.665 1.00 23.32 H new ATOM 0 HA TYR A 63 17.916 -68.675 -33.212 1.00 75.34 H new ATOM 0 HB2 TYR A 63 20.299 -69.352 -32.327 1.00 21.53 H new ATOM 0 HB3 TYR A 63 19.822 -70.978 -32.772 1.00 21.53 H new ATOM 0 HD1 TYR A 63 19.398 -67.609 -34.395 1.00 13.44 H new ATOM 0 HD2 TYR A 63 20.780 -71.620 -34.793 1.00 73.21 H new ATOM 0 HE1 TYR A 63 20.032 -67.158 -36.723 1.00 51.23 H new ATOM 0 HE2 TYR A 63 21.418 -71.171 -37.120 1.00 63.11 H new ATOM 0 HH TYR A 63 21.506 -69.694 -38.761 1.00 63.42 H new ATOM 1052 N GLY A 64 17.147 -71.738 -32.298 1.00 13.32 N ATOM 1053 CA GLY A 64 16.304 -72.869 -32.636 1.00 73.41 C ATOM 1054 C GLY A 64 17.009 -73.872 -33.528 1.00 41.53 C ATOM 1055 O GLY A 64 17.676 -73.493 -34.490 1.00 44.13 O ATOM 0 H GLY A 64 17.607 -71.802 -31.390 1.00 13.32 H new ATOM 0 HA2 GLY A 64 15.982 -73.365 -31.720 1.00 73.41 H new ATOM 0 HA3 GLY A 64 15.405 -72.511 -33.137 1.00 73.41 H new ATOM 1059 N GLU A 65 16.862 -75.153 -33.208 1.00 24.34 N ATOM 1060 CA GLU A 65 17.494 -76.212 -33.987 1.00 14.03 C ATOM 1061 C GLU A 65 16.738 -76.452 -35.290 1.00 70.35 C ATOM 1062 O GLU A 65 17.340 -76.739 -36.324 1.00 44.04 O ATOM 1063 CB GLU A 65 17.555 -77.507 -33.174 1.00 14.23 C ATOM 1064 CG GLU A 65 18.331 -78.619 -33.858 1.00 74.43 C ATOM 1065 CD GLU A 65 18.587 -79.800 -32.943 1.00 24.54 C ATOM 1066 OE1 GLU A 65 17.791 -80.006 -32.003 1.00 75.11 O ATOM 1067 OE2 GLU A 65 19.584 -80.519 -33.165 1.00 3.41 O ATOM 0 H GLU A 65 16.311 -75.483 -32.415 1.00 24.34 H new ATOM 0 HA GLU A 65 18.509 -75.895 -34.228 1.00 14.03 H new ATOM 0 HB2 GLU A 65 18.013 -77.298 -32.207 1.00 14.23 H new ATOM 0 HB3 GLU A 65 16.540 -77.851 -32.978 1.00 14.23 H new ATOM 0 HG2 GLU A 65 17.778 -78.957 -34.735 1.00 74.43 H new ATOM 0 HG3 GLU A 65 19.284 -78.227 -34.214 1.00 74.43 H new TER 1074 GLU A 65