USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl 175:sc= -0.0808 (180deg=-0.214) USER MOD Set 1.2: A 144 MET CE :methyl -115:sc= -0.0434 (180deg=-0.122) USER MOD Set 2.1: A 26 THR OG1 : rot -129:sc= 0.721 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.498 K(o=1.9,f=-0.7!) USER MOD Set 2.3: A 62 THR OG1 : rot -170:sc= 0.648 USER MOD Set 3.1: A 5 THR OG1 : rot -45:sc= -0.0321 USER MOD Set 3.2: A 8 GLN : amide:sc= 0 K(o=-0.032,f=0.51) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -89:sc= 1.38 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc=-0.00219 (180deg=-0.216) USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.211 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 71:sc= 0.014 USER MOD Single : A 41 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.074) USER MOD Single : A 42 ASN : amide:sc= 0.368 K(o=0.37,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 49 GLN : amide:sc=-0.00482 X(o=-0.0048,f=-0.037) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.203 USER MOD Single : A 71 MET CE :methyl -154:sc= -0.233 (180deg=-0.577) USER MOD Single : A 72 MET CE :methyl 155:sc= -0.613 (180deg=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 0.816 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.21) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc=-0.00732 (180deg=-0.00861) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -169:sc= -0.193 (180deg=-0.601) USER MOD Single : A 135 GLN : amide:sc=-0.00213 X(o=-0.0021,f=-0.42) USER MOD Single : A 137 ASN : amide:sc= 0.676 K(o=0.68,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 145 MET CE :methyl -153:sc= -0.193 (180deg=-0.817) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.176 15.349 0.376 1.00 0.00 N ATOM 59 CA THR A 5 -11.713 16.429 -0.393 1.00 0.00 C ATOM 60 C THR A 5 -13.041 16.160 -1.014 1.00 0.00 C ATOM 61 O THR A 5 -13.394 15.013 -1.284 1.00 0.00 O ATOM 62 CB THR A 5 -10.812 16.931 -1.482 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.359 15.863 -2.301 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.488 17.474 -0.919 1.00 0.00 C ATOM 0 HA THR A 5 -11.821 17.193 0.377 1.00 0.00 H new ATOM 0 HB THR A 5 -11.404 17.680 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.071 15.116 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.862 17.828 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.694 18.299 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.968 16.680 -0.382 1.00 0.00 H new ATOM 72 N GLU A 6 -13.694 17.282 -1.365 1.00 0.00 N ATOM 73 CA GLU A 6 -15.060 17.170 -1.772 1.00 0.00 C ATOM 74 C GLU A 6 -15.296 16.301 -2.959 1.00 0.00 C ATOM 75 O GLU A 6 -16.329 15.635 -2.996 1.00 0.00 O ATOM 76 CB GLU A 6 -15.484 18.602 -2.137 1.00 0.00 C ATOM 77 CG GLU A 6 -15.470 19.636 -1.008 1.00 0.00 C ATOM 78 CD GLU A 6 -16.162 20.943 -1.365 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.940 21.496 -2.475 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.993 21.376 -0.523 1.00 0.00 O ATOM 0 H GLU A 6 -13.301 18.223 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.624 16.709 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.828 18.958 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.492 18.563 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.953 19.208 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.436 19.846 -0.733 1.00 0.00 H new ATOM 87 N GLU A 7 -14.311 16.319 -3.875 1.00 0.00 N ATOM 88 CA GLU A 7 -14.108 15.638 -5.116 1.00 0.00 C ATOM 89 C GLU A 7 -14.014 14.170 -4.877 1.00 0.00 C ATOM 90 O GLU A 7 -14.766 13.405 -5.478 1.00 0.00 O ATOM 91 CB GLU A 7 -12.823 16.224 -5.725 1.00 0.00 C ATOM 92 CG GLU A 7 -13.024 17.702 -6.067 1.00 0.00 C ATOM 93 CD GLU A 7 -12.113 18.690 -5.353 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.972 18.990 -5.796 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.595 19.146 -4.282 1.00 0.00 O ATOM 0 H GLU A 7 -13.512 16.929 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.937 15.778 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.997 16.115 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.552 15.669 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.888 17.826 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.058 17.967 -5.844 1.00 0.00 H new ATOM 102 N GLN A 8 -13.195 13.740 -3.900 1.00 0.00 N ATOM 103 CA GLN A 8 -13.212 12.448 -3.289 1.00 0.00 C ATOM 104 C GLN A 8 -14.495 11.938 -2.730 1.00 0.00 C ATOM 105 O GLN A 8 -14.993 10.925 -3.220 1.00 0.00 O ATOM 106 CB GLN A 8 -12.110 12.169 -2.252 1.00 0.00 C ATOM 107 CG GLN A 8 -10.727 12.534 -2.794 1.00 0.00 C ATOM 108 CD GLN A 8 -9.576 12.377 -1.811 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.466 12.990 -0.751 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.614 11.480 -2.158 1.00 0.00 N ATOM 0 H GLN A 8 -12.469 14.341 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.016 11.889 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.309 12.740 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.127 11.115 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.523 11.914 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.751 13.569 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.691 10.963 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.816 11.324 -1.542 1.00 0.00 H new ATOM 119 N ILE A 9 -15.206 12.731 -1.908 1.00 0.00 N ATOM 120 CA ILE A 9 -16.485 12.489 -1.315 1.00 0.00 C ATOM 121 C ILE A 9 -17.487 12.307 -2.403 1.00 0.00 C ATOM 122 O ILE A 9 -18.204 11.315 -2.522 1.00 0.00 O ATOM 123 CB ILE A 9 -16.933 13.357 -0.178 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.847 13.369 0.911 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.325 12.901 0.291 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.953 14.609 1.798 1.00 0.00 C ATOM 0 H ILE A 9 -14.841 13.642 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.371 11.566 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.053 14.397 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.937 12.473 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.863 13.338 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.654 13.530 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.033 12.986 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.276 11.863 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.170 14.583 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.837 15.504 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.928 14.626 2.285 1.00 0.00 H new ATOM 138 N ALA A 10 -17.604 13.230 -3.375 1.00 0.00 N ATOM 139 CA ALA A 10 -18.439 13.002 -4.514 1.00 0.00 C ATOM 140 C ALA A 10 -18.110 11.787 -5.311 1.00 0.00 C ATOM 141 O ALA A 10 -19.065 11.123 -5.710 1.00 0.00 O ATOM 142 CB ALA A 10 -18.490 14.279 -5.370 1.00 0.00 C ATOM 0 H ALA A 10 -17.123 14.130 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.435 12.777 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.125 14.109 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.897 15.098 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.484 14.536 -5.701 1.00 0.00 H new ATOM 148 N GLU A 11 -16.850 11.393 -5.569 1.00 0.00 N ATOM 149 CA GLU A 11 -16.393 10.342 -6.425 1.00 0.00 C ATOM 150 C GLU A 11 -16.824 9.024 -5.881 1.00 0.00 C ATOM 151 O GLU A 11 -17.354 8.165 -6.585 1.00 0.00 O ATOM 152 CB GLU A 11 -14.872 10.425 -6.635 1.00 0.00 C ATOM 153 CG GLU A 11 -14.273 9.486 -7.684 1.00 0.00 C ATOM 154 CD GLU A 11 -12.766 9.278 -7.634 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.041 10.282 -7.869 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.307 8.113 -7.492 1.00 0.00 O ATOM 0 H GLU A 11 -16.064 11.868 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.846 10.456 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.622 11.449 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.385 10.225 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.754 8.513 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.531 9.870 -8.671 1.00 0.00 H new ATOM 163 N PHE A 12 -16.642 8.850 -4.560 1.00 0.00 N ATOM 164 CA PHE A 12 -16.864 7.710 -3.726 1.00 0.00 C ATOM 165 C PHE A 12 -18.337 7.577 -3.550 1.00 0.00 C ATOM 166 O PHE A 12 -18.825 6.453 -3.443 1.00 0.00 O ATOM 167 CB PHE A 12 -16.225 7.888 -2.338 1.00 0.00 C ATOM 168 CG PHE A 12 -14.747 8.078 -2.334 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.924 7.457 -3.243 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.163 8.615 -1.211 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.561 7.412 -3.067 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.799 8.701 -1.067 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.004 8.078 -2.001 1.00 0.00 C ATOM 0 H PHE A 12 -16.287 9.626 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.418 6.832 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.686 8.748 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.463 7.014 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.358 6.993 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.797 8.981 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.937 6.862 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.362 9.244 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.930 8.112 -1.896 1.00 0.00 H new ATOM 183 N LYS A 13 -19.075 8.700 -3.621 1.00 0.00 N ATOM 184 CA LYS A 13 -20.497 8.560 -3.564 1.00 0.00 C ATOM 185 C LYS A 13 -21.126 8.008 -4.797 1.00 0.00 C ATOM 186 O LYS A 13 -21.892 7.049 -4.715 1.00 0.00 O ATOM 187 CB LYS A 13 -21.138 9.929 -3.282 1.00 0.00 C ATOM 188 CG LYS A 13 -22.607 9.970 -2.858 1.00 0.00 C ATOM 189 CD LYS A 13 -22.997 11.254 -2.121 1.00 0.00 C ATOM 190 CE LYS A 13 -22.935 12.434 -3.092 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.384 13.654 -2.384 1.00 0.00 N ATOM 0 H LYS A 13 -18.716 9.650 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.678 7.840 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.553 10.415 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.035 10.536 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.235 9.864 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.815 9.115 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.002 11.160 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.323 11.424 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.919 12.565 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.569 12.245 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.347 14.466 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.360 13.522 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -22.761 13.833 -1.571 1.00 0.00 H new ATOM 205 N GLU A 14 -20.889 8.554 -6.003 1.00 0.00 N ATOM 206 CA GLU A 14 -21.316 8.097 -7.289 1.00 0.00 C ATOM 207 C GLU A 14 -20.835 6.712 -7.555 1.00 0.00 C ATOM 208 O GLU A 14 -21.614 5.951 -8.127 1.00 0.00 O ATOM 209 CB GLU A 14 -20.809 9.003 -8.423 1.00 0.00 C ATOM 210 CG GLU A 14 -21.350 10.434 -8.439 1.00 0.00 C ATOM 211 CD GLU A 14 -21.130 11.095 -9.792 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.648 10.573 -10.815 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.359 12.088 -9.877 1.00 0.00 O ATOM 0 H GLU A 14 -20.338 9.409 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.406 8.121 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.722 9.049 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.057 8.532 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.415 10.425 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.858 11.019 -7.662 1.00 0.00 H new ATOM 220 N ALA A 15 -19.658 6.294 -7.057 1.00 0.00 N ATOM 221 CA ALA A 15 -19.204 4.939 -7.122 1.00 0.00 C ATOM 222 C ALA A 15 -19.926 3.922 -6.306 1.00 0.00 C ATOM 223 O ALA A 15 -20.222 2.806 -6.731 1.00 0.00 O ATOM 224 CB ALA A 15 -17.687 4.775 -6.934 1.00 0.00 C ATOM 0 H ALA A 15 -19.000 6.920 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.471 4.711 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.425 3.719 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.162 5.326 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.397 5.163 -5.958 1.00 0.00 H new ATOM 230 N PHE A 16 -20.372 4.291 -5.092 1.00 0.00 N ATOM 231 CA PHE A 16 -21.047 3.433 -4.168 1.00 0.00 C ATOM 232 C PHE A 16 -22.396 3.145 -4.732 1.00 0.00 C ATOM 233 O PHE A 16 -22.858 2.007 -4.800 1.00 0.00 O ATOM 234 CB PHE A 16 -21.061 4.223 -2.849 1.00 0.00 C ATOM 235 CG PHE A 16 -21.680 3.468 -1.723 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.041 3.471 -1.531 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.838 2.809 -0.859 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.576 2.779 -0.470 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.405 2.173 0.220 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.763 2.137 0.435 1.00 0.00 C ATOM 0 H PHE A 16 -20.255 5.240 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.581 2.463 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.039 4.490 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.606 5.156 -2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.685 4.013 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.770 2.792 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.648 2.739 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.756 1.681 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.178 1.621 1.288 1.00 0.00 H new ATOM 250 N SER A 17 -23.091 4.154 -5.286 1.00 0.00 N ATOM 251 CA SER A 17 -24.323 3.961 -5.985 1.00 0.00 C ATOM 252 C SER A 17 -24.261 3.088 -7.191 1.00 0.00 C ATOM 253 O SER A 17 -25.048 2.166 -7.401 1.00 0.00 O ATOM 254 CB SER A 17 -24.890 5.343 -6.347 1.00 0.00 C ATOM 255 OG SER A 17 -25.145 6.114 -5.182 1.00 0.00 O ATOM 0 H SER A 17 -22.789 5.128 -5.247 1.00 0.00 H new ATOM 0 HA SER A 17 -24.976 3.413 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.185 5.871 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.812 5.223 -6.916 1.00 0.00 H new ATOM 0 HG SER A 17 -25.503 6.989 -5.441 1.00 0.00 H new ATOM 261 N LEU A 18 -23.170 3.245 -7.963 1.00 0.00 N ATOM 262 CA LEU A 18 -22.846 2.362 -9.040 1.00 0.00 C ATOM 263 C LEU A 18 -22.879 0.906 -8.725 1.00 0.00 C ATOM 264 O LEU A 18 -23.357 0.095 -9.517 1.00 0.00 O ATOM 265 CB LEU A 18 -21.518 2.732 -9.721 1.00 0.00 C ATOM 266 CG LEU A 18 -21.436 2.369 -11.213 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.239 3.353 -12.082 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.985 2.284 -11.714 1.00 0.00 C ATOM 0 H LEU A 18 -22.499 4.002 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.668 2.521 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.357 3.805 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.704 2.233 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.881 1.379 -11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.157 3.064 -13.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.286 3.333 -11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.843 4.360 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.980 2.025 -12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.495 3.247 -11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.450 1.519 -11.151 1.00 0.00 H new ATOM 280 N PHE A 19 -22.370 0.476 -7.556 1.00 0.00 N ATOM 281 CA PHE A 19 -22.100 -0.867 -7.146 1.00 0.00 C ATOM 282 C PHE A 19 -23.377 -1.577 -6.855 1.00 0.00 C ATOM 283 O PHE A 19 -23.609 -2.688 -7.330 1.00 0.00 O ATOM 284 CB PHE A 19 -21.264 -0.853 -5.855 1.00 0.00 C ATOM 285 CG PHE A 19 -19.893 -0.309 -6.066 1.00 0.00 C ATOM 286 CD1 PHE A 19 -19.256 -0.274 -7.284 1.00 0.00 C ATOM 287 CD2 PHE A 19 -19.291 0.302 -4.991 1.00 0.00 C ATOM 288 CE1 PHE A 19 -18.002 0.276 -7.413 1.00 0.00 C ATOM 289 CE2 PHE A 19 -18.120 1.003 -5.159 1.00 0.00 C ATOM 290 CZ PHE A 19 -17.455 0.972 -6.362 1.00 0.00 C ATOM 0 H PHE A 19 -22.123 1.142 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.562 -1.373 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.776 -0.255 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.192 -1.867 -5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.748 -0.685 -8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -19.740 0.231 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.451 0.162 -8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -17.720 1.582 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.514 1.489 -6.480 1.00 0.00 H new ATOM 300 N ASP A 20 -24.238 -0.945 -6.038 1.00 0.00 N ATOM 301 CA ASP A 20 -25.271 -1.554 -5.259 1.00 0.00 C ATOM 302 C ASP A 20 -26.214 -2.277 -6.159 1.00 0.00 C ATOM 303 O ASP A 20 -26.697 -1.686 -7.123 1.00 0.00 O ATOM 304 CB ASP A 20 -26.070 -0.580 -4.377 1.00 0.00 C ATOM 305 CG ASP A 20 -26.691 -1.404 -3.259 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.574 -2.286 -3.431 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.276 -1.239 -2.081 1.00 0.00 O ATOM 0 H ASP A 20 -24.209 0.067 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.761 -2.235 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.420 0.195 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.841 -0.076 -4.959 1.00 0.00 H new ATOM 312 N LYS A 21 -26.401 -3.578 -5.875 1.00 0.00 N ATOM 313 CA LYS A 21 -27.129 -4.492 -6.700 1.00 0.00 C ATOM 314 C LYS A 21 -28.564 -4.277 -6.359 1.00 0.00 C ATOM 315 O LYS A 21 -29.366 -4.072 -7.269 1.00 0.00 O ATOM 316 CB LYS A 21 -26.670 -5.950 -6.530 1.00 0.00 C ATOM 317 CG LYS A 21 -27.146 -6.983 -7.553 1.00 0.00 C ATOM 318 CD LYS A 21 -26.851 -6.589 -9.001 1.00 0.00 C ATOM 319 CE LYS A 21 -27.208 -7.763 -9.916 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.307 -7.356 -11.335 1.00 0.00 N ATOM 0 H LYS A 21 -26.028 -4.013 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.950 -4.302 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.580 -5.958 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.990 -6.287 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.668 -7.940 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -28.220 -7.130 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.429 -5.707 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.798 -6.329 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.453 -8.543 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.156 -8.195 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.550 -8.183 -11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.045 -6.631 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.395 -6.968 -11.649 1.00 0.00 H new ATOM 334 N ASP A 22 -28.887 -4.328 -5.054 1.00 0.00 N ATOM 335 CA ASP A 22 -30.258 -4.262 -4.653 1.00 0.00 C ATOM 336 C ASP A 22 -30.884 -2.919 -4.812 1.00 0.00 C ATOM 337 O ASP A 22 -32.021 -2.845 -5.277 1.00 0.00 O ATOM 338 CB ASP A 22 -30.578 -4.684 -3.209 1.00 0.00 C ATOM 339 CG ASP A 22 -29.592 -5.746 -2.743 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.468 -5.344 -2.341 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.960 -6.952 -2.735 1.00 0.00 O ATOM 0 H ASP A 22 -28.215 -4.413 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.674 -4.992 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.530 -3.817 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.595 -5.071 -3.152 1.00 0.00 H new ATOM 346 N GLY A 23 -30.099 -1.903 -4.412 1.00 0.00 N ATOM 347 CA GLY A 23 -30.615 -0.571 -4.345 1.00 0.00 C ATOM 348 C GLY A 23 -30.838 0.071 -3.019 1.00 0.00 C ATOM 349 O GLY A 23 -31.556 1.069 -3.000 1.00 0.00 O ATOM 0 H GLY A 23 -29.121 -2.000 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.935 0.070 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -31.568 -0.565 -4.874 1.00 0.00 H new ATOM 353 N ASP A 24 -30.360 -0.609 -1.962 1.00 0.00 N ATOM 354 CA ASP A 24 -30.772 -0.252 -0.640 1.00 0.00 C ATOM 355 C ASP A 24 -29.762 0.633 0.006 1.00 0.00 C ATOM 356 O ASP A 24 -30.157 1.325 0.943 1.00 0.00 O ATOM 357 CB ASP A 24 -30.951 -1.570 0.132 1.00 0.00 C ATOM 358 CG ASP A 24 -29.816 -2.582 0.064 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.784 -2.442 -0.645 1.00 0.00 O ATOM 360 OD2 ASP A 24 -30.015 -3.643 0.713 1.00 0.00 O ATOM 0 H ASP A 24 -29.704 -1.388 -2.018 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.705 0.311 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.122 -1.326 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.856 -2.054 -0.234 1.00 0.00 H new ATOM 365 N GLY A 25 -28.535 0.764 -0.529 1.00 0.00 N ATOM 366 CA GLY A 25 -27.518 1.633 -0.024 1.00 0.00 C ATOM 367 C GLY A 25 -26.621 0.999 0.982 1.00 0.00 C ATOM 368 O GLY A 25 -26.155 1.666 1.904 1.00 0.00 O ATOM 0 H GLY A 25 -28.238 0.239 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.915 1.992 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.991 2.506 0.426 1.00 0.00 H new ATOM 372 N THR A 26 -26.303 -0.307 0.921 1.00 0.00 N ATOM 373 CA THR A 26 -25.345 -0.927 1.782 1.00 0.00 C ATOM 374 C THR A 26 -24.792 -2.049 0.973 1.00 0.00 C ATOM 375 O THR A 26 -25.447 -2.705 0.165 1.00 0.00 O ATOM 376 CB THR A 26 -25.795 -1.267 3.172 1.00 0.00 C ATOM 377 OG1 THR A 26 -24.670 -1.443 4.020 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.702 -2.506 3.272 1.00 0.00 C ATOM 0 H THR A 26 -26.726 -0.951 0.252 1.00 0.00 H new ATOM 0 HA THR A 26 -24.567 -0.218 2.066 1.00 0.00 H new ATOM 0 HB THR A 26 -26.402 -0.420 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 26 -24.751 -2.294 4.499 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.976 -2.673 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 26 -27.604 -2.346 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.170 -3.378 2.892 1.00 0.00 H new ATOM 386 N ILE A 27 -23.486 -2.286 1.194 1.00 0.00 N ATOM 387 CA ILE A 27 -22.743 -3.198 0.381 1.00 0.00 C ATOM 388 C ILE A 27 -22.517 -4.496 1.077 1.00 0.00 C ATOM 389 O ILE A 27 -21.880 -4.508 2.129 1.00 0.00 O ATOM 390 CB ILE A 27 -21.436 -2.755 -0.206 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.571 -1.302 -0.692 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.014 -3.700 -1.344 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.386 -0.708 -1.453 1.00 0.00 C ATOM 0 H ILE A 27 -22.944 -1.845 1.937 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.412 -3.281 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.654 -2.795 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.450 -1.241 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.765 -0.672 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.064 -3.366 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.904 -4.712 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.775 -3.692 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.614 0.319 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.501 -0.721 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.197 -1.298 -2.349 1.00 0.00 H new ATOM 405 N THR A 28 -22.996 -5.631 0.539 1.00 0.00 N ATOM 406 CA THR A 28 -22.910 -6.942 1.105 1.00 0.00 C ATOM 407 C THR A 28 -21.608 -7.527 0.676 1.00 0.00 C ATOM 408 O THR A 28 -20.899 -7.049 -0.208 1.00 0.00 O ATOM 409 CB THR A 28 -24.043 -7.813 0.653 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.179 -7.830 -0.761 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.290 -7.243 1.350 1.00 0.00 C ATOM 0 H THR A 28 -23.480 -5.632 -0.359 1.00 0.00 H new ATOM 0 HA THR A 28 -22.973 -6.879 2.191 1.00 0.00 H new ATOM 0 HB THR A 28 -23.876 -8.856 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.767 -7.098 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.164 -7.830 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.156 -7.289 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.435 -6.206 1.046 1.00 0.00 H new ATOM 419 N THR A 29 -21.260 -8.685 1.264 1.00 0.00 N ATOM 420 CA THR A 29 -20.106 -9.423 0.853 1.00 0.00 C ATOM 421 C THR A 29 -20.214 -9.952 -0.536 1.00 0.00 C ATOM 422 O THR A 29 -19.202 -10.185 -1.195 1.00 0.00 O ATOM 423 CB THR A 29 -19.789 -10.576 1.758 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.044 -10.260 3.119 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.265 -10.762 1.666 1.00 0.00 C ATOM 0 H THR A 29 -21.782 -9.113 2.029 1.00 0.00 H new ATOM 0 HA THR A 29 -19.301 -8.690 0.903 1.00 0.00 H new ATOM 0 HB THR A 29 -20.385 -11.440 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.828 -11.034 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.960 -11.591 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.986 -10.977 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.767 -9.850 1.994 1.00 0.00 H new ATOM 433 N LYS A 30 -21.465 -10.137 -0.995 1.00 0.00 N ATOM 434 CA LYS A 30 -21.807 -10.506 -2.334 1.00 0.00 C ATOM 435 C LYS A 30 -21.623 -9.399 -3.314 1.00 0.00 C ATOM 436 O LYS A 30 -21.021 -9.588 -4.370 1.00 0.00 O ATOM 437 CB LYS A 30 -23.272 -10.973 -2.341 1.00 0.00 C ATOM 438 CG LYS A 30 -23.620 -12.054 -1.315 1.00 0.00 C ATOM 439 CD LYS A 30 -25.133 -12.136 -1.104 1.00 0.00 C ATOM 440 CE LYS A 30 -25.878 -12.768 -2.282 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.553 -14.212 -2.315 1.00 0.00 N ATOM 0 H LYS A 30 -22.284 -10.022 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.132 -11.303 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.912 -10.109 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.511 -11.349 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.243 -13.019 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.128 -11.835 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.336 -12.715 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.523 -11.133 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.953 -12.623 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.585 -12.291 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.239 -14.709 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.595 -14.344 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.596 -14.600 -1.351 1.00 0.00 H new ATOM 455 N GLU A 31 -22.019 -8.151 -3.009 1.00 0.00 N ATOM 456 CA GLU A 31 -21.693 -7.074 -3.892 1.00 0.00 C ATOM 457 C GLU A 31 -20.277 -6.631 -3.761 1.00 0.00 C ATOM 458 O GLU A 31 -19.728 -6.259 -4.797 1.00 0.00 O ATOM 459 CB GLU A 31 -22.601 -5.936 -3.395 1.00 0.00 C ATOM 460 CG GLU A 31 -24.049 -6.115 -3.855 1.00 0.00 C ATOM 461 CD GLU A 31 -24.953 -5.306 -2.935 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.065 -5.561 -1.706 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.602 -4.331 -3.398 1.00 0.00 O ATOM 0 H GLU A 31 -22.549 -7.891 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.827 -7.362 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.569 -5.896 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.220 -4.982 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.163 -5.781 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.327 -7.169 -3.828 1.00 0.00 H new ATOM 470 N LEU A 32 -19.552 -6.684 -2.629 1.00 0.00 N ATOM 471 CA LEU A 32 -18.133 -6.520 -2.553 1.00 0.00 C ATOM 472 C LEU A 32 -17.322 -7.486 -3.346 1.00 0.00 C ATOM 473 O LEU A 32 -16.287 -7.137 -3.910 1.00 0.00 O ATOM 474 CB LEU A 32 -17.653 -6.292 -1.109 1.00 0.00 C ATOM 475 CG LEU A 32 -16.193 -5.813 -1.038 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.016 -4.378 -1.561 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.683 -5.828 0.413 1.00 0.00 C ATOM 0 H LEU A 32 -19.979 -6.850 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.928 -5.592 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.297 -5.555 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.755 -7.220 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.627 -6.502 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.967 -4.091 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.334 -4.328 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.621 -3.696 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.649 -5.485 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.299 -5.167 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.739 -6.842 0.808 1.00 0.00 H new ATOM 489 N GLY A 33 -17.844 -8.708 -3.555 1.00 0.00 N ATOM 490 CA GLY A 33 -17.358 -9.759 -4.393 1.00 0.00 C ATOM 491 C GLY A 33 -17.456 -9.316 -5.812 1.00 0.00 C ATOM 492 O GLY A 33 -16.541 -9.474 -6.619 1.00 0.00 O ATOM 0 H GLY A 33 -18.703 -8.987 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.325 -9.997 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.941 -10.667 -4.239 1.00 0.00 H new ATOM 496 N THR A 34 -18.586 -8.680 -6.169 1.00 0.00 N ATOM 497 CA THR A 34 -18.801 -8.183 -7.493 1.00 0.00 C ATOM 498 C THR A 34 -17.964 -7.002 -7.848 1.00 0.00 C ATOM 499 O THR A 34 -17.392 -7.057 -8.936 1.00 0.00 O ATOM 500 CB THR A 34 -20.260 -7.862 -7.625 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.160 -8.943 -7.430 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.598 -7.390 -9.049 1.00 0.00 C ATOM 0 H THR A 34 -19.362 -8.508 -5.530 1.00 0.00 H new ATOM 0 HA THR A 34 -18.495 -8.957 -8.197 1.00 0.00 H new ATOM 0 HB THR A 34 -20.393 -7.115 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.164 -9.199 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.662 -7.165 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.022 -6.494 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.349 -8.176 -9.762 1.00 0.00 H new ATOM 510 N VAL A 35 -17.806 -5.983 -6.984 1.00 0.00 N ATOM 511 CA VAL A 35 -16.962 -4.841 -7.152 1.00 0.00 C ATOM 512 C VAL A 35 -15.553 -5.241 -7.430 1.00 0.00 C ATOM 513 O VAL A 35 -14.851 -4.721 -8.296 1.00 0.00 O ATOM 514 CB VAL A 35 -16.936 -4.010 -5.903 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.852 -2.920 -5.863 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.277 -3.271 -5.766 1.00 0.00 C ATOM 0 H VAL A 35 -18.310 -5.958 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.371 -4.277 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.730 -4.720 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.917 -2.376 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.868 -3.382 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.001 -2.228 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.267 -2.664 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.428 -2.627 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.088 -3.997 -5.708 1.00 0.00 H new ATOM 526 N MET A 36 -15.016 -6.213 -6.671 1.00 0.00 N ATOM 527 CA MET A 36 -13.706 -6.689 -6.989 1.00 0.00 C ATOM 528 C MET A 36 -13.599 -7.384 -8.303 1.00 0.00 C ATOM 529 O MET A 36 -12.703 -7.111 -9.100 1.00 0.00 O ATOM 530 CB MET A 36 -13.275 -7.669 -5.886 1.00 0.00 C ATOM 531 CG MET A 36 -12.984 -7.040 -4.522 1.00 0.00 C ATOM 532 SD MET A 36 -11.849 -5.622 -4.596 1.00 0.00 S ATOM 533 CE MET A 36 -11.343 -5.273 -2.887 1.00 0.00 C ATOM 0 H MET A 36 -15.466 -6.654 -5.869 1.00 0.00 H new ATOM 0 HA MET A 36 -13.064 -5.811 -7.055 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.059 -8.416 -5.762 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.382 -8.196 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.924 -6.719 -4.073 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.560 -7.799 -3.865 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.658 -4.426 -2.876 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.222 -5.036 -2.288 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.845 -6.148 -2.469 1.00 0.00 H new ATOM 543 N ARG A 37 -14.556 -8.264 -8.648 1.00 0.00 N ATOM 544 CA ARG A 37 -14.471 -9.009 -9.865 1.00 0.00 C ATOM 545 C ARG A 37 -14.529 -8.164 -11.090 1.00 0.00 C ATOM 546 O ARG A 37 -13.959 -8.464 -12.138 1.00 0.00 O ATOM 547 CB ARG A 37 -15.632 -10.013 -9.963 1.00 0.00 C ATOM 548 CG ARG A 37 -15.580 -11.229 -9.036 1.00 0.00 C ATOM 549 CD ARG A 37 -14.580 -12.257 -9.571 1.00 0.00 C ATOM 550 NE ARG A 37 -15.236 -13.027 -10.665 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.562 -13.563 -11.725 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.202 -13.680 -11.750 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.223 -14.007 -12.834 1.00 0.00 N ATOM 0 H ARG A 37 -15.385 -8.459 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.501 -9.504 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.561 -9.477 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.683 -10.373 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.292 -10.918 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.570 -11.679 -8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.685 -11.758 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.262 -12.928 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.246 -13.161 -10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.648 -13.360 -10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.740 -14.087 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.240 -13.942 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.700 -14.404 -13.615 1.00 0.00 H new ATOM 567 N SER A 38 -15.222 -7.011 -11.084 1.00 0.00 N ATOM 568 CA SER A 38 -15.199 -5.956 -12.049 1.00 0.00 C ATOM 569 C SER A 38 -13.839 -5.466 -12.411 1.00 0.00 C ATOM 570 O SER A 38 -13.541 -5.129 -13.555 1.00 0.00 O ATOM 571 CB SER A 38 -16.106 -4.763 -11.701 1.00 0.00 C ATOM 572 OG SER A 38 -17.458 -5.195 -11.655 1.00 0.00 O ATOM 0 H SER A 38 -15.865 -6.799 -10.321 1.00 0.00 H new ATOM 0 HA SER A 38 -15.610 -6.447 -12.931 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.815 -4.339 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.990 -3.975 -12.445 1.00 0.00 H new ATOM 0 HG SER A 38 -17.594 -5.762 -10.867 1.00 0.00 H new ATOM 578 N LEU A 39 -12.860 -5.467 -11.488 1.00 0.00 N ATOM 579 CA LEU A 39 -11.465 -5.198 -11.644 1.00 0.00 C ATOM 580 C LEU A 39 -10.653 -6.341 -12.147 1.00 0.00 C ATOM 581 O LEU A 39 -9.494 -6.169 -12.521 1.00 0.00 O ATOM 582 CB LEU A 39 -10.867 -4.700 -10.317 1.00 0.00 C ATOM 583 CG LEU A 39 -11.538 -3.485 -9.654 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.819 -3.329 -8.304 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.540 -2.226 -10.537 1.00 0.00 C ATOM 0 H LEU A 39 -13.078 -5.683 -10.515 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.414 -4.429 -12.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.887 -5.526 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.819 -4.454 -10.490 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.606 -3.639 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.239 -2.480 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.952 -4.236 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.756 -3.160 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.029 -1.410 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.513 -1.944 -10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.079 -2.431 -11.462 1.00 0.00 H new ATOM 597 N GLY A 40 -11.223 -7.556 -12.051 1.00 0.00 N ATOM 598 CA GLY A 40 -10.611 -8.801 -12.397 1.00 0.00 C ATOM 599 C GLY A 40 -10.048 -9.667 -11.323 1.00 0.00 C ATOM 600 O GLY A 40 -9.428 -10.701 -11.569 1.00 0.00 O ATOM 0 H GLY A 40 -12.176 -7.675 -11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.353 -9.390 -12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.805 -8.585 -13.098 1.00 0.00 H new ATOM 604 N GLN A 41 -10.381 -9.258 -10.086 1.00 0.00 N ATOM 605 CA GLN A 41 -9.802 -9.800 -8.896 1.00 0.00 C ATOM 606 C GLN A 41 -10.633 -10.872 -8.279 1.00 0.00 C ATOM 607 O GLN A 41 -11.851 -10.900 -8.448 1.00 0.00 O ATOM 608 CB GLN A 41 -9.652 -8.719 -7.812 1.00 0.00 C ATOM 609 CG GLN A 41 -8.729 -7.566 -8.211 1.00 0.00 C ATOM 610 CD GLN A 41 -7.335 -8.021 -8.621 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.868 -7.856 -9.747 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.690 -8.754 -7.675 1.00 0.00 N ATOM 0 H GLN A 41 -11.073 -8.530 -9.908 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.841 -10.203 -9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.637 -8.317 -7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.268 -9.181 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.182 -7.017 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.645 -6.872 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.105 -8.872 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.791 -9.186 -7.890 1.00 0.00 H new ATOM 621 N ASN A 42 -10.053 -11.905 -7.642 1.00 0.00 N ATOM 622 CA ASN A 42 -10.720 -13.050 -7.105 1.00 0.00 C ATOM 623 C ASN A 42 -10.472 -13.046 -5.635 1.00 0.00 C ATOM 624 O ASN A 42 -9.694 -13.888 -5.190 1.00 0.00 O ATOM 625 CB ASN A 42 -10.161 -14.350 -7.707 1.00 0.00 C ATOM 626 CG ASN A 42 -10.385 -14.402 -9.211 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.498 -14.318 -9.729 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.271 -14.497 -9.986 1.00 0.00 N ATOM 0 H ASN A 42 -9.045 -11.941 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.784 -13.005 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.095 -14.424 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.641 -15.208 -7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.356 -14.499 -11.002 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.351 -14.566 -9.551 1.00 0.00 H new ATOM 635 N PRO A 43 -11.114 -12.248 -4.834 1.00 0.00 N ATOM 636 CA PRO A 43 -10.940 -12.423 -3.422 1.00 0.00 C ATOM 637 C PRO A 43 -11.679 -13.590 -2.863 1.00 0.00 C ATOM 638 O PRO A 43 -12.578 -14.194 -3.446 1.00 0.00 O ATOM 639 CB PRO A 43 -11.551 -11.179 -2.780 1.00 0.00 C ATOM 640 CG PRO A 43 -12.710 -10.869 -3.741 1.00 0.00 C ATOM 641 CD PRO A 43 -12.144 -11.260 -5.116 1.00 0.00 C ATOM 0 HA PRO A 43 -9.880 -12.583 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.901 -11.372 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.838 -10.357 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.602 -11.445 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.991 -9.816 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.921 -11.673 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.729 -10.394 -5.632 1.00 0.00 H new ATOM 649 N THR A 44 -11.264 -14.104 -1.691 1.00 0.00 N ATOM 650 CA THR A 44 -12.026 -15.037 -0.921 1.00 0.00 C ATOM 651 C THR A 44 -12.710 -14.263 0.152 1.00 0.00 C ATOM 652 O THR A 44 -12.476 -13.086 0.423 1.00 0.00 O ATOM 653 CB THR A 44 -11.244 -16.149 -0.288 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.117 -15.712 0.456 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.759 -16.983 -1.486 1.00 0.00 C ATOM 0 H THR A 44 -10.369 -13.862 -1.266 1.00 0.00 H new ATOM 0 HA THR A 44 -12.708 -15.531 -1.613 1.00 0.00 H new ATOM 0 HB THR A 44 -11.866 -16.686 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.658 -16.488 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.172 -17.828 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.619 -17.350 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.142 -16.362 -2.135 1.00 0.00 H new ATOM 663 N GLU A 45 -13.735 -14.941 0.698 1.00 0.00 N ATOM 664 CA GLU A 45 -14.796 -14.383 1.477 1.00 0.00 C ATOM 665 C GLU A 45 -14.354 -13.978 2.841 1.00 0.00 C ATOM 666 O GLU A 45 -14.681 -12.856 3.228 1.00 0.00 O ATOM 667 CB GLU A 45 -15.952 -15.394 1.401 1.00 0.00 C ATOM 668 CG GLU A 45 -17.251 -14.647 1.709 1.00 0.00 C ATOM 669 CD GLU A 45 -18.522 -15.477 1.822 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.491 -16.712 1.577 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.582 -14.897 2.181 1.00 0.00 O ATOM 0 H GLU A 45 -13.828 -15.951 0.586 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.148 -13.430 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.998 -15.847 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.799 -16.203 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.116 -14.107 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.404 -13.900 0.930 1.00 0.00 H new ATOM 678 N ALA A 46 -13.556 -14.761 3.588 1.00 0.00 N ATOM 679 CA ALA A 46 -13.005 -14.303 4.825 1.00 0.00 C ATOM 680 C ALA A 46 -11.953 -13.252 4.730 1.00 0.00 C ATOM 681 O ALA A 46 -11.846 -12.471 5.674 1.00 0.00 O ATOM 682 CB ALA A 46 -12.499 -15.468 5.693 1.00 0.00 C ATOM 0 H ALA A 46 -13.292 -15.713 3.335 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.855 -13.816 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.088 -15.077 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.326 -16.141 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.723 -16.013 5.155 1.00 0.00 H new ATOM 688 N GLU A 47 -11.254 -13.110 3.590 1.00 0.00 N ATOM 689 CA GLU A 47 -10.468 -11.944 3.332 1.00 0.00 C ATOM 690 C GLU A 47 -11.229 -10.674 3.166 1.00 0.00 C ATOM 691 O GLU A 47 -10.954 -9.665 3.813 1.00 0.00 O ATOM 692 CB GLU A 47 -9.531 -12.205 2.141 1.00 0.00 C ATOM 693 CG GLU A 47 -8.549 -13.359 2.354 1.00 0.00 C ATOM 694 CD GLU A 47 -7.260 -13.270 1.549 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.402 -12.410 1.884 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.091 -14.046 0.571 1.00 0.00 O ATOM 0 H GLU A 47 -11.233 -13.806 2.844 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.888 -11.773 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.135 -12.415 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.966 -11.296 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.295 -13.408 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.051 -14.293 2.103 1.00 0.00 H new ATOM 703 N LEU A 48 -12.322 -10.769 2.388 1.00 0.00 N ATOM 704 CA LEU A 48 -13.295 -9.727 2.278 1.00 0.00 C ATOM 705 C LEU A 48 -13.969 -9.395 3.564 1.00 0.00 C ATOM 706 O LEU A 48 -13.899 -8.254 4.018 1.00 0.00 O ATOM 707 CB LEU A 48 -14.430 -10.089 1.305 1.00 0.00 C ATOM 708 CG LEU A 48 -14.157 -10.188 -0.205 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.354 -10.622 -1.067 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.748 -8.773 -0.651 1.00 0.00 C ATOM 0 H LEU A 48 -12.535 -11.590 1.822 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.710 -8.877 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.833 -11.050 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.220 -9.351 1.442 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.399 -10.958 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.054 -10.660 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.691 -11.609 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.167 -9.905 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.539 -8.775 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.560 -8.076 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.855 -8.464 -0.107 1.00 0.00 H new ATOM 722 N GLN A 49 -14.625 -10.371 4.218 1.00 0.00 N ATOM 723 CA GLN A 49 -15.383 -10.223 5.422 1.00 0.00 C ATOM 724 C GLN A 49 -14.661 -9.678 6.606 1.00 0.00 C ATOM 725 O GLN A 49 -15.153 -8.868 7.390 1.00 0.00 O ATOM 726 CB GLN A 49 -16.064 -11.536 5.843 1.00 0.00 C ATOM 727 CG GLN A 49 -17.299 -11.390 6.734 1.00 0.00 C ATOM 728 CD GLN A 49 -17.886 -12.744 7.104 1.00 0.00 C ATOM 729 OE1 GLN A 49 -17.223 -13.723 7.444 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.231 -12.822 6.919 1.00 0.00 N ATOM 0 H GLN A 49 -14.625 -11.333 3.879 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.113 -9.467 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.351 -12.079 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.332 -12.151 6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.032 -10.848 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.052 -10.795 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.756 -11.994 6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.715 -13.708 7.062 1.00 0.00 H new ATOM 739 N ASP A 50 -13.349 -9.965 6.675 1.00 0.00 N ATOM 740 CA ASP A 50 -12.436 -9.346 7.585 1.00 0.00 C ATOM 741 C ASP A 50 -12.415 -7.864 7.430 1.00 0.00 C ATOM 742 O ASP A 50 -12.755 -7.172 8.388 1.00 0.00 O ATOM 743 CB ASP A 50 -11.026 -9.926 7.380 1.00 0.00 C ATOM 744 CG ASP A 50 -9.882 -9.571 8.319 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.063 -8.950 9.400 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.756 -9.990 7.940 1.00 0.00 O ATOM 0 H ASP A 50 -12.906 -10.657 6.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.775 -9.560 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.124 -11.012 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.710 -9.647 6.375 1.00 0.00 H new ATOM 751 N MET A 51 -12.089 -7.310 6.248 1.00 0.00 N ATOM 752 CA MET A 51 -12.171 -5.916 5.942 1.00 0.00 C ATOM 753 C MET A 51 -13.440 -5.183 6.214 1.00 0.00 C ATOM 754 O MET A 51 -13.477 -4.008 6.577 1.00 0.00 O ATOM 755 CB MET A 51 -11.868 -5.728 4.446 1.00 0.00 C ATOM 756 CG MET A 51 -10.430 -6.112 4.091 1.00 0.00 C ATOM 757 SD MET A 51 -10.205 -6.078 2.287 1.00 0.00 S ATOM 758 CE MET A 51 -8.508 -5.430 2.298 1.00 0.00 C ATOM 0 H MET A 51 -11.750 -7.866 5.463 1.00 0.00 H new ATOM 0 HA MET A 51 -11.452 -5.481 6.636 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.559 -6.333 3.859 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.042 -4.688 4.170 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.733 -5.422 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.205 -7.107 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.152 -5.324 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.493 -4.457 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.859 -6.119 2.838 1.00 0.00 H new ATOM 768 N ILE A 52 -14.513 -5.843 5.744 1.00 0.00 N ATOM 769 CA ILE A 52 -15.849 -5.433 6.046 1.00 0.00 C ATOM 770 C ILE A 52 -16.106 -5.314 7.509 1.00 0.00 C ATOM 771 O ILE A 52 -16.449 -4.224 7.963 1.00 0.00 O ATOM 772 CB ILE A 52 -16.834 -6.398 5.454 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.588 -6.324 3.938 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.274 -5.979 5.794 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.425 -7.377 3.212 1.00 0.00 C ATOM 0 H ILE A 52 -14.454 -6.669 5.149 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.972 -4.443 5.608 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.708 -7.409 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.843 -5.330 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.530 -6.481 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.973 -6.691 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.402 -5.963 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.468 -4.985 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.240 -7.313 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.150 -8.370 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.482 -7.201 3.409 1.00 0.00 H new ATOM 787 N ASN A 53 -15.984 -6.434 8.244 1.00 0.00 N ATOM 788 CA ASN A 53 -16.145 -6.455 9.665 1.00 0.00 C ATOM 789 C ASN A 53 -15.305 -5.474 10.408 1.00 0.00 C ATOM 790 O ASN A 53 -15.743 -4.947 11.429 1.00 0.00 O ATOM 791 CB ASN A 53 -16.042 -7.858 10.285 1.00 0.00 C ATOM 792 CG ASN A 53 -17.223 -8.723 9.868 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.316 -8.257 9.551 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.905 -10.041 9.974 1.00 0.00 N ATOM 0 H ASN A 53 -15.768 -7.346 7.841 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.175 -6.123 9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.111 -8.331 9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.010 -7.779 11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.610 -10.753 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.962 -10.318 10.246 1.00 0.00 H new ATOM 801 N GLU A 54 -14.087 -5.136 9.948 1.00 0.00 N ATOM 802 CA GLU A 54 -13.334 -4.063 10.519 1.00 0.00 C ATOM 803 C GLU A 54 -13.921 -2.694 10.531 1.00 0.00 C ATOM 804 O GLU A 54 -13.855 -2.035 11.568 1.00 0.00 O ATOM 805 CB GLU A 54 -12.023 -3.901 9.731 1.00 0.00 C ATOM 806 CG GLU A 54 -11.012 -3.125 10.577 1.00 0.00 C ATOM 807 CD GLU A 54 -9.685 -3.344 9.865 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.503 -2.553 8.901 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.918 -4.306 10.139 1.00 0.00 O ATOM 0 H GLU A 54 -13.621 -5.610 9.174 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.255 -4.378 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.620 -4.879 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.211 -3.374 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.266 -2.066 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.981 -3.497 11.601 1.00 0.00 H new ATOM 816 N VAL A 55 -14.419 -2.315 9.341 1.00 0.00 N ATOM 817 CA VAL A 55 -14.874 -0.987 9.065 1.00 0.00 C ATOM 818 C VAL A 55 -16.307 -0.729 9.377 1.00 0.00 C ATOM 819 O VAL A 55 -16.741 0.422 9.383 1.00 0.00 O ATOM 820 CB VAL A 55 -14.413 -0.513 7.718 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.319 -1.151 6.652 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.247 1.015 7.772 1.00 0.00 C ATOM 0 H VAL A 55 -14.508 -2.950 8.548 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.379 -0.343 9.792 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.419 -0.844 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.004 -0.821 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.245 -2.237 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.352 -0.848 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.912 1.379 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.202 1.476 8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.509 1.274 8.531 1.00 0.00 H new ATOM 832 N ASP A 56 -16.987 -1.856 9.658 1.00 0.00 N ATOM 833 CA ASP A 56 -18.291 -1.995 10.229 1.00 0.00 C ATOM 834 C ASP A 56 -18.417 -1.344 11.564 1.00 0.00 C ATOM 835 O ASP A 56 -17.960 -1.858 12.583 1.00 0.00 O ATOM 836 CB ASP A 56 -18.820 -3.434 10.116 1.00 0.00 C ATOM 837 CG ASP A 56 -20.337 -3.439 10.236 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.996 -2.366 10.196 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.893 -4.567 10.317 1.00 0.00 O ATOM 0 H ASP A 56 -16.574 -2.768 9.462 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.986 -1.416 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.521 -3.867 9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.383 -4.054 10.898 1.00 0.00 H new ATOM 844 N ALA A 57 -18.993 -0.130 11.509 1.00 0.00 N ATOM 845 CA ALA A 57 -19.215 0.670 12.674 1.00 0.00 C ATOM 846 C ALA A 57 -20.492 0.362 13.378 1.00 0.00 C ATOM 847 O ALA A 57 -20.517 0.093 14.578 1.00 0.00 O ATOM 848 CB ALA A 57 -19.114 2.140 12.234 1.00 0.00 C ATOM 0 H ALA A 57 -19.310 0.304 10.642 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.456 0.443 13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.277 2.789 13.094 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.124 2.329 11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.869 2.346 11.476 1.00 0.00 H new ATOM 854 N ASP A 58 -21.634 0.197 12.687 1.00 0.00 N ATOM 855 CA ASP A 58 -22.936 -0.113 13.190 1.00 0.00 C ATOM 856 C ASP A 58 -23.321 -1.539 13.387 1.00 0.00 C ATOM 857 O ASP A 58 -24.375 -1.949 13.869 1.00 0.00 O ATOM 858 CB ASP A 58 -23.925 0.745 12.383 1.00 0.00 C ATOM 859 CG ASP A 58 -24.457 0.097 11.113 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.736 -0.596 10.346 1.00 0.00 O ATOM 861 OD2 ASP A 58 -25.689 0.255 10.902 1.00 0.00 O ATOM 0 H ASP A 58 -21.643 0.291 11.671 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.949 0.146 14.249 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.769 0.998 13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.435 1.682 12.116 1.00 0.00 H new ATOM 866 N GLY A 59 -22.314 -2.356 13.029 1.00 0.00 N ATOM 867 CA GLY A 59 -22.349 -3.766 13.269 1.00 0.00 C ATOM 868 C GLY A 59 -23.351 -4.520 12.464 1.00 0.00 C ATOM 869 O GLY A 59 -23.736 -5.624 12.845 1.00 0.00 O ATOM 0 H GLY A 59 -21.464 -2.034 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.360 -4.178 13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.555 -3.934 14.326 1.00 0.00 H new ATOM 873 N ASN A 60 -23.803 -4.008 11.305 1.00 0.00 N ATOM 874 CA ASN A 60 -24.809 -4.652 10.518 1.00 0.00 C ATOM 875 C ASN A 60 -24.371 -5.789 9.662 1.00 0.00 C ATOM 876 O ASN A 60 -25.241 -6.535 9.214 1.00 0.00 O ATOM 877 CB ASN A 60 -25.630 -3.635 9.707 1.00 0.00 C ATOM 878 CG ASN A 60 -24.920 -2.995 8.523 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.708 -3.039 8.319 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.742 -2.294 7.696 1.00 0.00 N ATOM 0 H ASN A 60 -23.464 -3.132 10.907 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.440 -5.126 11.270 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.528 -4.133 9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.957 -2.843 10.380 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.355 -1.796 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.745 -2.266 7.878 1.00 0.00 H new ATOM 887 N GLY A 61 -23.061 -5.939 9.394 1.00 0.00 N ATOM 888 CA GLY A 61 -22.503 -6.928 8.525 1.00 0.00 C ATOM 889 C GLY A 61 -21.975 -6.382 7.243 1.00 0.00 C ATOM 890 O GLY A 61 -21.249 -7.061 6.518 1.00 0.00 O ATOM 0 H GLY A 61 -22.351 -5.335 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.697 -7.443 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.266 -7.674 8.303 1.00 0.00 H new ATOM 894 N THR A 62 -22.334 -5.156 6.824 1.00 0.00 N ATOM 895 CA THR A 62 -22.326 -4.650 5.486 1.00 0.00 C ATOM 896 C THR A 62 -21.757 -3.273 5.466 1.00 0.00 C ATOM 897 O THR A 62 -21.774 -2.621 6.509 1.00 0.00 O ATOM 898 CB THR A 62 -23.638 -4.677 4.760 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.598 -3.937 5.499 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.158 -6.109 4.550 1.00 0.00 C ATOM 0 H THR A 62 -22.661 -4.453 7.487 1.00 0.00 H new ATOM 0 HA THR A 62 -21.697 -5.347 4.933 1.00 0.00 H new ATOM 0 HB THR A 62 -23.480 -4.233 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.488 -4.082 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.110 -6.076 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.435 -6.676 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.298 -6.591 5.518 1.00 0.00 H new ATOM 908 N ILE A 63 -21.178 -2.778 4.357 1.00 0.00 N ATOM 909 CA ILE A 63 -20.541 -1.500 4.294 1.00 0.00 C ATOM 910 C ILE A 63 -21.506 -0.456 3.848 1.00 0.00 C ATOM 911 O ILE A 63 -22.028 -0.370 2.737 1.00 0.00 O ATOM 912 CB ILE A 63 -19.380 -1.344 3.357 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.427 -2.551 3.364 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.623 -0.071 3.774 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.611 -2.676 2.079 1.00 0.00 C ATOM 0 H ILE A 63 -21.153 -3.286 3.473 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.171 -1.396 5.314 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.762 -1.274 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.748 -2.465 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.006 -3.463 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.769 0.077 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.290 0.788 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.274 -0.175 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.958 -3.546 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.285 -2.792 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.007 -1.779 1.943 1.00 0.00 H new ATOM 927 N ASP A 64 -21.870 0.465 4.758 1.00 0.00 N ATOM 928 CA ASP A 64 -22.721 1.589 4.518 1.00 0.00 C ATOM 929 C ASP A 64 -21.857 2.739 4.127 1.00 0.00 C ATOM 930 O ASP A 64 -20.643 2.735 4.327 1.00 0.00 O ATOM 931 CB ASP A 64 -23.555 1.916 5.769 1.00 0.00 C ATOM 932 CG ASP A 64 -24.410 0.789 6.330 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.823 -0.056 7.057 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.613 0.678 5.973 1.00 0.00 O ATOM 0 H ASP A 64 -21.548 0.421 5.725 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.426 1.368 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.876 2.252 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.209 2.755 5.533 1.00 0.00 H new ATOM 939 N PHE A 65 -22.365 3.822 3.512 1.00 0.00 N ATOM 940 CA PHE A 65 -21.586 4.870 2.930 1.00 0.00 C ATOM 941 C PHE A 65 -20.667 5.614 3.837 1.00 0.00 C ATOM 942 O PHE A 65 -19.524 5.840 3.443 1.00 0.00 O ATOM 943 CB PHE A 65 -22.470 5.805 2.089 1.00 0.00 C ATOM 944 CG PHE A 65 -21.714 6.934 1.478 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.792 6.644 0.500 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.008 8.245 1.772 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.043 7.668 -0.029 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.357 9.267 1.123 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.329 8.983 0.256 1.00 0.00 C ATOM 0 H PHE A 65 -23.369 3.974 3.416 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.885 4.349 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.950 5.228 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.265 6.206 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.659 5.630 0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.755 8.473 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.214 7.436 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.653 10.292 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.755 9.779 -0.194 1.00 0.00 H new ATOM 959 N PRO A 66 -20.850 6.049 5.048 1.00 0.00 N ATOM 960 CA PRO A 66 -19.914 6.750 5.879 1.00 0.00 C ATOM 961 C PRO A 66 -18.774 5.865 6.250 1.00 0.00 C ATOM 962 O PRO A 66 -17.635 6.248 6.513 1.00 0.00 O ATOM 963 CB PRO A 66 -20.724 7.278 7.060 1.00 0.00 C ATOM 964 CG PRO A 66 -22.144 7.362 6.479 1.00 0.00 C ATOM 965 CD PRO A 66 -22.170 6.061 5.660 1.00 0.00 C ATOM 0 HA PRO A 66 -19.437 7.590 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.676 6.607 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.365 8.251 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.911 7.383 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.290 8.248 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.333 5.187 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.964 6.067 4.913 1.00 0.00 H new ATOM 973 N GLU A 67 -19.017 4.543 6.298 1.00 0.00 N ATOM 974 CA GLU A 67 -18.104 3.480 6.584 1.00 0.00 C ATOM 975 C GLU A 67 -17.371 3.103 5.343 1.00 0.00 C ATOM 976 O GLU A 67 -16.196 2.761 5.472 1.00 0.00 O ATOM 977 CB GLU A 67 -18.637 2.189 7.227 1.00 0.00 C ATOM 978 CG GLU A 67 -19.854 2.464 8.113 1.00 0.00 C ATOM 979 CD GLU A 67 -20.606 1.178 8.425 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.673 0.259 7.566 1.00 0.00 O ATOM 981 OE2 GLU A 67 -21.208 0.934 9.505 1.00 0.00 O ATOM 0 H GLU A 67 -19.954 4.184 6.117 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.481 3.922 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.907 1.478 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.850 1.726 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.533 2.935 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.521 3.167 7.613 1.00 0.00 H new ATOM 988 N PHE A 68 -17.873 3.338 4.117 1.00 0.00 N ATOM 989 CA PHE A 68 -17.180 3.261 2.869 1.00 0.00 C ATOM 990 C PHE A 68 -16.152 4.329 2.716 1.00 0.00 C ATOM 991 O PHE A 68 -15.046 4.132 2.216 1.00 0.00 O ATOM 992 CB PHE A 68 -18.130 3.287 1.659 1.00 0.00 C ATOM 993 CG PHE A 68 -17.522 2.948 0.341 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.349 1.659 -0.104 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.024 4.014 -0.370 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.690 1.449 -1.293 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.393 3.796 -1.572 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.142 2.507 -1.979 1.00 0.00 C ATOM 0 H PHE A 68 -18.849 3.605 3.991 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.674 2.296 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.947 2.591 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.569 4.282 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.724 0.825 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.128 5.018 0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.603 0.448 -1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.097 4.630 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.514 2.325 -2.838 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.449 5.549 3.199 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.525 6.626 3.377 1.00 0.00 C ATOM 1010 C LEU A 69 -14.401 6.362 4.319 1.00 0.00 C ATOM 1011 O LEU A 69 -13.250 6.700 4.047 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.243 7.933 3.754 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.340 8.448 2.806 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.999 9.691 3.427 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.752 8.763 1.420 1.00 0.00 C ATOM 0 H LEU A 69 -17.396 5.798 3.483 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.058 6.731 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.688 7.798 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.489 8.714 3.849 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.098 7.677 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.778 10.061 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.440 9.427 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.247 10.467 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.543 9.126 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.981 9.528 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.315 7.859 0.996 1.00 0.00 H new ATOM 1027 N THR A 70 -14.771 5.728 5.446 1.00 0.00 N ATOM 1028 CA THR A 70 -13.833 5.411 6.478 1.00 0.00 C ATOM 1029 C THR A 70 -12.876 4.381 5.984 1.00 0.00 C ATOM 1030 O THR A 70 -11.679 4.496 6.245 1.00 0.00 O ATOM 1031 CB THR A 70 -14.521 5.006 7.748 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.068 6.215 8.253 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.524 4.425 8.765 1.00 0.00 C ATOM 0 H THR A 70 -15.727 5.433 5.643 1.00 0.00 H new ATOM 0 HA THR A 70 -13.262 6.305 6.728 1.00 0.00 H new ATOM 0 HB THR A 70 -15.270 4.234 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.918 6.403 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.055 4.142 9.674 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.040 3.546 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.770 5.175 9.004 1.00 0.00 H new ATOM 1041 N MET A 71 -13.334 3.424 5.158 1.00 0.00 N ATOM 1042 CA MET A 71 -12.522 2.425 4.535 1.00 0.00 C ATOM 1043 C MET A 71 -11.527 3.038 3.610 1.00 0.00 C ATOM 1044 O MET A 71 -10.334 2.751 3.684 1.00 0.00 O ATOM 1045 CB MET A 71 -13.272 1.316 3.778 1.00 0.00 C ATOM 1046 CG MET A 71 -12.392 0.332 3.004 1.00 0.00 C ATOM 1047 SD MET A 71 -13.321 -1.008 2.200 1.00 0.00 S ATOM 1048 CE MET A 71 -13.250 -2.377 3.391 1.00 0.00 C ATOM 0 H MET A 71 -14.321 3.343 4.912 1.00 0.00 H new ATOM 0 HA MET A 71 -12.037 1.939 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.872 0.754 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.965 1.783 3.079 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.832 0.879 2.246 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.662 -0.103 3.687 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.352 -3.325 2.862 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.294 -2.355 3.915 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.061 -2.274 4.112 1.00 0.00 H new ATOM 1058 N MET A 72 -11.904 3.974 2.721 1.00 0.00 N ATOM 1059 CA MET A 72 -11.083 4.636 1.755 1.00 0.00 C ATOM 1060 C MET A 72 -9.996 5.378 2.453 1.00 0.00 C ATOM 1061 O MET A 72 -8.816 5.183 2.165 1.00 0.00 O ATOM 1062 CB MET A 72 -11.827 5.583 0.799 1.00 0.00 C ATOM 1063 CG MET A 72 -12.723 4.866 -0.212 1.00 0.00 C ATOM 1064 SD MET A 72 -11.938 3.643 -1.305 1.00 0.00 S ATOM 1065 CE MET A 72 -12.909 2.320 -0.528 1.00 0.00 C ATOM 0 H MET A 72 -12.871 4.295 2.676 1.00 0.00 H new ATOM 0 HA MET A 72 -10.684 3.845 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.436 6.271 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.097 6.186 0.259 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.518 4.364 0.339 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.197 5.622 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.016 1.489 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.399 1.975 0.372 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.896 2.700 -0.263 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.323 6.241 3.431 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.277 7.041 3.988 1.00 0.00 C ATOM 1077 C ALA A 73 -8.210 6.287 4.704 1.00 0.00 C ATOM 1078 O ALA A 73 -7.092 6.798 4.748 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.015 7.899 5.029 1.00 0.00 C ATOM 0 H ALA A 73 -11.256 6.382 3.819 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.761 7.570 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.304 8.560 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.780 8.496 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.485 7.250 5.768 1.00 0.00 H new ATOM 1234 N GLU A 83 5.413 12.634 -4.498 1.00 0.00 N ATOM 1235 CA GLU A 83 6.807 12.895 -4.311 1.00 0.00 C ATOM 1236 C GLU A 83 7.508 11.869 -3.491 1.00 0.00 C ATOM 1237 O GLU A 83 8.701 11.593 -3.603 1.00 0.00 O ATOM 1238 CB GLU A 83 7.052 14.338 -3.839 1.00 0.00 C ATOM 1239 CG GLU A 83 6.814 15.262 -5.035 1.00 0.00 C ATOM 1240 CD GLU A 83 7.967 15.214 -6.027 1.00 0.00 C ATOM 1241 OE1 GLU A 83 9.183 15.457 -5.806 1.00 0.00 O ATOM 1242 OE2 GLU A 83 7.600 15.023 -7.217 1.00 0.00 O ATOM 0 HA GLU A 83 7.272 12.805 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.380 14.592 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.069 14.451 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.890 14.975 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.680 16.285 -4.683 1.00 0.00 H new ATOM 1249 N GLU A 84 6.767 11.259 -2.549 1.00 0.00 N ATOM 1250 CA GLU A 84 7.324 10.320 -1.625 1.00 0.00 C ATOM 1251 C GLU A 84 7.238 8.961 -2.229 1.00 0.00 C ATOM 1252 O GLU A 84 7.967 8.058 -1.822 1.00 0.00 O ATOM 1253 CB GLU A 84 6.641 10.255 -0.248 1.00 0.00 C ATOM 1254 CG GLU A 84 7.080 11.410 0.655 1.00 0.00 C ATOM 1255 CD GLU A 84 6.243 11.367 1.925 1.00 0.00 C ATOM 1256 OE1 GLU A 84 6.623 10.610 2.858 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.221 12.103 1.893 1.00 0.00 O ATOM 0 H GLU A 84 5.767 11.420 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 84 8.344 10.661 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.559 10.284 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.880 9.306 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.140 11.323 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.946 12.364 0.144 1.00 0.00 H new ATOM 1264 N ILE A 85 6.382 8.782 -3.251 1.00 0.00 N ATOM 1265 CA ILE A 85 6.449 7.661 -4.137 1.00 0.00 C ATOM 1266 C ILE A 85 7.659 7.825 -4.990 1.00 0.00 C ATOM 1267 O ILE A 85 8.522 6.953 -4.906 1.00 0.00 O ATOM 1268 CB ILE A 85 5.112 7.567 -4.810 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.043 6.765 -4.049 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.367 6.880 -6.162 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.612 7.080 -4.481 1.00 0.00 C ATOM 0 H ILE A 85 5.626 9.431 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 85 6.596 6.689 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 85 4.708 8.577 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.230 5.701 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.143 6.965 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.426 6.782 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.063 7.480 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.793 5.891 -5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.915 6.476 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.405 8.137 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.493 6.853 -5.540 1.00 0.00 H new ATOM 1283 N ARG A 86 7.812 8.949 -5.712 1.00 0.00 N ATOM 1284 CA ARG A 86 8.903 9.152 -6.614 1.00 0.00 C ATOM 1285 C ARG A 86 10.255 9.109 -5.989 1.00 0.00 C ATOM 1286 O ARG A 86 11.150 8.420 -6.478 1.00 0.00 O ATOM 1287 CB ARG A 86 8.692 10.426 -7.449 1.00 0.00 C ATOM 1288 CG ARG A 86 9.483 10.714 -8.726 1.00 0.00 C ATOM 1289 CD ARG A 86 9.025 12.036 -9.346 1.00 0.00 C ATOM 1290 NE ARG A 86 9.554 13.204 -8.586 1.00 0.00 N ATOM 1291 CZ ARG A 86 10.651 13.932 -8.944 1.00 0.00 C ATOM 1292 NH1 ARG A 86 11.368 13.653 -10.071 1.00 0.00 N ATOM 1293 NH2 ARG A 86 10.782 15.143 -8.326 1.00 0.00 N ATOM 0 H ARG A 86 7.163 9.735 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 86 8.894 8.289 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.638 10.447 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.863 11.269 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.548 10.760 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.344 9.902 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.362 12.090 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.936 12.074 -9.363 1.00 0.00 H new ATOM 0 HE ARG A 86 9.060 13.479 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.089 12.880 -10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.183 14.217 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.084 15.447 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.578 15.743 -8.543 1.00 0.00 H new ATOM 1307 N GLU A 87 10.381 9.770 -4.825 1.00 0.00 N ATOM 1308 CA GLU A 87 11.586 9.563 -4.083 1.00 0.00 C ATOM 1309 C GLU A 87 11.811 8.133 -3.727 1.00 0.00 C ATOM 1310 O GLU A 87 12.877 7.534 -3.860 1.00 0.00 O ATOM 1311 CB GLU A 87 11.813 10.434 -2.836 1.00 0.00 C ATOM 1312 CG GLU A 87 13.215 10.442 -2.224 1.00 0.00 C ATOM 1313 CD GLU A 87 14.264 11.223 -3.002 1.00 0.00 C ATOM 1314 OE1 GLU A 87 14.023 12.419 -3.316 1.00 0.00 O ATOM 1315 OE2 GLU A 87 15.282 10.579 -3.370 1.00 0.00 O ATOM 0 H GLU A 87 9.698 10.408 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 87 12.328 9.901 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.552 11.461 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.112 10.109 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.151 10.856 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.555 9.411 -2.124 1.00 0.00 H new ATOM 1322 N ALA A 88 10.837 7.321 -3.279 1.00 0.00 N ATOM 1323 CA ALA A 88 11.015 5.972 -2.840 1.00 0.00 C ATOM 1324 C ALA A 88 11.347 5.106 -4.007 1.00 0.00 C ATOM 1325 O ALA A 88 11.976 4.066 -3.821 1.00 0.00 O ATOM 1326 CB ALA A 88 9.759 5.382 -2.177 1.00 0.00 C ATOM 0 H ALA A 88 9.865 7.626 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 88 11.818 5.996 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.959 4.357 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.493 5.980 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.934 5.391 -2.889 1.00 0.00 H new ATOM 1332 N PHE A 89 11.001 5.404 -5.272 1.00 0.00 N ATOM 1333 CA PHE A 89 11.281 4.680 -6.472 1.00 0.00 C ATOM 1334 C PHE A 89 12.729 4.768 -6.811 1.00 0.00 C ATOM 1335 O PHE A 89 13.334 3.857 -7.373 1.00 0.00 O ATOM 1336 CB PHE A 89 10.477 5.339 -7.606 1.00 0.00 C ATOM 1337 CG PHE A 89 10.625 4.614 -8.899 1.00 0.00 C ATOM 1338 CD1 PHE A 89 10.023 3.380 -8.975 1.00 0.00 C ATOM 1339 CD2 PHE A 89 11.325 5.068 -9.991 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.115 2.666 -10.146 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.536 4.323 -11.127 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.926 3.091 -11.172 1.00 0.00 C ATOM 0 H PHE A 89 10.465 6.248 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 89 11.014 3.632 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.423 5.373 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.807 6.370 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.486 2.978 -8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.733 6.067 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.542 1.758 -10.262 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.148 4.685 -11.940 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.086 2.448 -12.025 1.00 0.00 H new ATOM 1352 N ARG A 90 13.362 5.909 -6.486 1.00 0.00 N ATOM 1353 CA ARG A 90 14.776 6.047 -6.652 1.00 0.00 C ATOM 1354 C ARG A 90 15.596 5.575 -5.501 1.00 0.00 C ATOM 1355 O ARG A 90 16.800 5.333 -5.567 1.00 0.00 O ATOM 1356 CB ARG A 90 15.121 7.444 -7.194 1.00 0.00 C ATOM 1357 CG ARG A 90 16.550 7.715 -7.671 1.00 0.00 C ATOM 1358 CD ARG A 90 16.935 9.182 -7.874 1.00 0.00 C ATOM 1359 NE ARG A 90 16.611 9.892 -6.605 1.00 0.00 N ATOM 1360 CZ ARG A 90 16.752 11.245 -6.497 1.00 0.00 C ATOM 1361 NH1 ARG A 90 17.166 12.081 -7.493 1.00 0.00 N ATOM 1362 NH2 ARG A 90 16.518 11.879 -5.311 1.00 0.00 N ATOM 0 H ARG A 90 12.896 6.735 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 90 15.082 5.337 -7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.450 7.650 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.891 8.168 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.239 7.278 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.701 7.189 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.995 9.274 -8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.385 9.614 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 90 16.278 9.357 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.400 11.704 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.242 13.083 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.234 11.341 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.627 12.891 -5.243 1.00 0.00 H new ATOM 1376 N VAL A 91 14.932 5.406 -4.344 1.00 0.00 N ATOM 1377 CA VAL A 91 15.519 4.730 -3.230 1.00 0.00 C ATOM 1378 C VAL A 91 15.537 3.256 -3.453 1.00 0.00 C ATOM 1379 O VAL A 91 16.562 2.608 -3.249 1.00 0.00 O ATOM 1380 CB VAL A 91 14.736 4.937 -1.967 1.00 0.00 C ATOM 1381 CG1 VAL A 91 15.080 3.957 -0.833 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.937 6.362 -1.425 1.00 0.00 C ATOM 0 H VAL A 91 13.982 5.740 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 91 16.524 5.142 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 91 13.701 4.758 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.467 4.181 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.884 2.936 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.133 4.058 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.359 6.488 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.994 6.525 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.601 7.085 -2.168 1.00 0.00 H new ATOM 1392 N PHE A 92 14.442 2.663 -3.960 1.00 0.00 N ATOM 1393 CA PHE A 92 14.497 1.264 -4.253 1.00 0.00 C ATOM 1394 C PHE A 92 15.259 0.720 -5.412 1.00 0.00 C ATOM 1395 O PHE A 92 15.708 -0.422 -5.331 1.00 0.00 O ATOM 1396 CB PHE A 92 13.040 0.851 -4.525 1.00 0.00 C ATOM 1397 CG PHE A 92 12.117 0.974 -3.361 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.559 0.954 -2.060 1.00 0.00 C ATOM 1399 CD2 PHE A 92 10.766 0.974 -3.617 1.00 0.00 C ATOM 1400 CE1 PHE A 92 11.688 0.937 -0.996 1.00 0.00 C ATOM 1401 CE2 PHE A 92 9.881 0.980 -2.565 1.00 0.00 C ATOM 1402 CZ PHE A 92 10.341 0.949 -1.270 1.00 0.00 C ATOM 0 H PHE A 92 13.555 3.126 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 92 15.040 0.869 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.653 1.461 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.031 -0.184 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.622 0.952 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.404 0.969 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.050 0.915 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.819 1.009 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.633 0.934 -0.455 1.00 0.00 H new ATOM 1412 N ASP A 93 15.647 1.527 -6.415 1.00 0.00 N ATOM 1413 CA ASP A 93 16.548 1.206 -7.478 1.00 0.00 C ATOM 1414 C ASP A 93 17.975 1.305 -7.061 1.00 0.00 C ATOM 1415 O ASP A 93 18.441 2.435 -6.926 1.00 0.00 O ATOM 1416 CB ASP A 93 16.280 2.093 -8.706 1.00 0.00 C ATOM 1417 CG ASP A 93 16.347 1.360 -10.038 1.00 0.00 C ATOM 1418 OD1 ASP A 93 16.828 0.197 -10.109 1.00 0.00 O ATOM 1419 OD2 ASP A 93 15.897 2.022 -11.011 1.00 0.00 O ATOM 0 H ASP A 93 15.301 2.484 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 93 16.364 0.166 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.294 2.546 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.005 2.907 -8.716 1.00 0.00 H new ATOM 1424 N LYS A 94 18.664 0.199 -6.726 1.00 0.00 N ATOM 1425 CA LYS A 94 20.066 0.146 -6.450 1.00 0.00 C ATOM 1426 C LYS A 94 20.920 0.048 -7.667 1.00 0.00 C ATOM 1427 O LYS A 94 21.984 0.650 -7.801 1.00 0.00 O ATOM 1428 CB LYS A 94 20.311 -1.120 -5.612 1.00 0.00 C ATOM 1429 CG LYS A 94 19.368 -1.084 -4.408 1.00 0.00 C ATOM 1430 CD LYS A 94 19.643 -2.170 -3.366 1.00 0.00 C ATOM 1431 CE LYS A 94 21.062 -2.451 -2.869 1.00 0.00 C ATOM 1432 NZ LYS A 94 21.631 -1.322 -2.099 1.00 0.00 N ATOM 0 H LYS A 94 18.214 -0.713 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 94 20.336 1.073 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.130 -2.013 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.349 -1.162 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.445 -0.108 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.342 -1.186 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.041 -1.930 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.257 -3.105 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.054 -3.344 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.706 -2.665 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.593 -1.565 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.666 -0.474 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.034 -1.133 -1.268 1.00 0.00 H new ATOM 1446 N ASP A 95 20.557 -0.764 -8.675 1.00 0.00 N ATOM 1447 CA ASP A 95 21.365 -0.950 -9.840 1.00 0.00 C ATOM 1448 C ASP A 95 21.598 0.132 -10.837 1.00 0.00 C ATOM 1449 O ASP A 95 22.529 0.182 -11.639 1.00 0.00 O ATOM 1450 CB ASP A 95 20.918 -2.292 -10.446 1.00 0.00 C ATOM 1451 CG ASP A 95 19.504 -2.208 -11.003 1.00 0.00 C ATOM 1452 OD1 ASP A 95 19.150 -1.686 -12.093 1.00 0.00 O ATOM 1453 OD2 ASP A 95 18.605 -2.678 -10.255 1.00 0.00 O ATOM 0 H ASP A 95 19.689 -1.300 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 95 22.392 -0.927 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.607 -2.581 -11.240 1.00 0.00 H new ATOM 0 HB3 ASP A 95 20.965 -3.070 -9.684 1.00 0.00 H new ATOM 1458 N GLY A 96 20.595 1.029 -10.850 1.00 0.00 N ATOM 1459 CA GLY A 96 20.493 2.062 -11.834 1.00 0.00 C ATOM 1460 C GLY A 96 19.314 2.951 -11.632 1.00 0.00 C ATOM 1461 O GLY A 96 18.842 3.142 -10.513 1.00 0.00 O ATOM 0 H GLY A 96 19.840 1.037 -10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.401 2.664 -11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.432 1.608 -12.823 1.00 0.00 H new ATOM 1465 N ASN A 97 18.988 3.767 -12.650 1.00 0.00 N ATOM 1466 CA ASN A 97 17.882 4.672 -12.603 1.00 0.00 C ATOM 1467 C ASN A 97 16.920 4.265 -13.666 1.00 0.00 C ATOM 1468 O ASN A 97 16.906 4.775 -14.785 1.00 0.00 O ATOM 1469 CB ASN A 97 18.485 6.071 -12.818 1.00 0.00 C ATOM 1470 CG ASN A 97 17.601 7.271 -12.510 1.00 0.00 C ATOM 1471 OD1 ASN A 97 16.372 7.293 -12.466 1.00 0.00 O ATOM 1472 ND2 ASN A 97 18.312 8.416 -12.325 1.00 0.00 N ATOM 0 H ASN A 97 19.506 3.798 -13.528 1.00 0.00 H new ATOM 0 HA ASN A 97 17.330 4.669 -11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.383 6.148 -12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.802 6.145 -13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.826 9.295 -12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.331 8.395 -12.362 1.00 0.00 H new ATOM 1479 N GLY A 98 16.111 3.222 -13.411 1.00 0.00 N ATOM 1480 CA GLY A 98 15.075 2.976 -14.366 1.00 0.00 C ATOM 1481 C GLY A 98 13.870 2.196 -13.970 1.00 0.00 C ATOM 1482 O GLY A 98 12.805 2.809 -13.912 1.00 0.00 O ATOM 0 H GLY A 98 16.161 2.592 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.730 3.945 -14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.530 2.463 -15.213 1.00 0.00 H new ATOM 1486 N TYR A 99 13.991 0.883 -13.703 1.00 0.00 N ATOM 1487 CA TYR A 99 12.956 -0.050 -13.383 1.00 0.00 C ATOM 1488 C TYR A 99 13.190 -0.687 -12.056 1.00 0.00 C ATOM 1489 O TYR A 99 14.336 -1.008 -11.746 1.00 0.00 O ATOM 1490 CB TYR A 99 12.919 -1.186 -14.419 1.00 0.00 C ATOM 1491 CG TYR A 99 12.456 -0.729 -15.760 1.00 0.00 C ATOM 1492 CD1 TYR A 99 11.124 -0.676 -16.096 1.00 0.00 C ATOM 1493 CD2 TYR A 99 13.432 -0.346 -16.649 1.00 0.00 C ATOM 1494 CE1 TYR A 99 10.773 -0.308 -17.374 1.00 0.00 C ATOM 1495 CE2 TYR A 99 13.092 -0.081 -17.955 1.00 0.00 C ATOM 1496 CZ TYR A 99 11.761 -0.066 -18.299 1.00 0.00 C ATOM 1497 OH TYR A 99 11.572 0.394 -19.620 1.00 0.00 O ATOM 0 H TYR A 99 14.906 0.433 -13.713 1.00 0.00 H new ATOM 0 HA TYR A 99 12.021 0.510 -13.375 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.915 -1.620 -14.512 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.259 -1.976 -14.062 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.365 -0.920 -15.368 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.458 -0.254 -16.324 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.733 -0.210 -17.648 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.855 0.111 -18.695 1.00 0.00 H new ATOM 0 HH TYR A 99 12.442 0.483 -20.063 1.00 0.00 H new ATOM 1507 N ILE A 100 12.102 -1.046 -11.352 1.00 0.00 N ATOM 1508 CA ILE A 100 12.157 -2.015 -10.302 1.00 0.00 C ATOM 1509 C ILE A 100 11.902 -3.346 -10.922 1.00 0.00 C ATOM 1510 O ILE A 100 10.807 -3.658 -11.386 1.00 0.00 O ATOM 1511 CB ILE A 100 11.287 -1.727 -9.114 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.668 -0.381 -8.474 1.00 0.00 C ATOM 1513 CG2 ILE A 100 11.605 -2.844 -8.105 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.828 0.102 -7.292 1.00 0.00 C ATOM 0 H ILE A 100 11.172 -0.659 -11.513 1.00 0.00 H new ATOM 0 HA ILE A 100 13.149 -1.986 -9.851 1.00 0.00 H new ATOM 0 HB ILE A 100 10.236 -1.683 -9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.705 -0.447 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.628 0.384 -9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.006 -2.703 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.372 -3.812 -8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 100 12.663 -2.809 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.209 1.062 -6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.790 0.216 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.884 -0.627 -6.484 1.00 0.00 H new ATOM 1526 N SER A 101 12.897 -4.226 -11.134 1.00 0.00 N ATOM 1527 CA SER A 101 12.585 -5.491 -11.723 1.00 0.00 C ATOM 1528 C SER A 101 11.782 -6.368 -10.825 1.00 0.00 C ATOM 1529 O SER A 101 11.861 -6.169 -9.613 1.00 0.00 O ATOM 1530 CB SER A 101 13.811 -6.239 -12.272 1.00 0.00 C ATOM 1531 OG SER A 101 14.691 -6.553 -11.203 1.00 0.00 O ATOM 0 H SER A 101 13.880 -4.072 -10.908 1.00 0.00 H new ATOM 0 HA SER A 101 11.962 -5.242 -12.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.497 -7.152 -12.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.324 -5.624 -13.011 1.00 0.00 H new ATOM 0 HG SER A 101 15.126 -5.734 -10.886 1.00 0.00 H new ATOM 1537 N ALA A 102 11.030 -7.366 -11.322 1.00 0.00 N ATOM 1538 CA ALA A 102 10.281 -8.213 -10.447 1.00 0.00 C ATOM 1539 C ALA A 102 11.060 -8.906 -9.383 1.00 0.00 C ATOM 1540 O ALA A 102 10.547 -9.044 -8.274 1.00 0.00 O ATOM 1541 CB ALA A 102 9.570 -9.257 -11.325 1.00 0.00 C ATOM 0 H ALA A 102 10.941 -7.585 -12.314 1.00 0.00 H new ATOM 0 HA ALA A 102 9.596 -7.567 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.985 -9.926 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.909 -8.751 -12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.312 -9.835 -11.876 1.00 0.00 H new ATOM 1547 N ALA A 103 12.352 -9.141 -9.677 1.00 0.00 N ATOM 1548 CA ALA A 103 13.333 -9.482 -8.694 1.00 0.00 C ATOM 1549 C ALA A 103 13.476 -8.530 -7.557 1.00 0.00 C ATOM 1550 O ALA A 103 13.048 -8.886 -6.460 1.00 0.00 O ATOM 1551 CB ALA A 103 14.729 -9.753 -9.279 1.00 0.00 C ATOM 0 H ALA A 103 12.724 -9.092 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 103 12.915 -10.405 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 103 15.418 -10.005 -8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.674 -10.584 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 103 15.086 -8.863 -9.797 1.00 0.00 H new ATOM 1557 N GLU A 104 13.907 -7.283 -7.816 1.00 0.00 N ATOM 1558 CA GLU A 104 13.976 -6.225 -6.856 1.00 0.00 C ATOM 1559 C GLU A 104 12.680 -5.923 -6.184 1.00 0.00 C ATOM 1560 O GLU A 104 12.741 -5.809 -4.961 1.00 0.00 O ATOM 1561 CB GLU A 104 14.420 -4.896 -7.489 1.00 0.00 C ATOM 1562 CG GLU A 104 15.703 -4.852 -8.322 1.00 0.00 C ATOM 1563 CD GLU A 104 15.693 -3.657 -9.266 1.00 0.00 C ATOM 1564 OE1 GLU A 104 15.767 -2.475 -8.836 1.00 0.00 O ATOM 1565 OE2 GLU A 104 15.549 -3.932 -10.487 1.00 0.00 O ATOM 0 H GLU A 104 14.224 -6.998 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 104 14.698 -6.601 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.605 -4.548 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.528 -4.170 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.569 -4.793 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.802 -5.774 -8.896 1.00 0.00 H new ATOM 1572 N LEU A 105 11.514 -5.902 -6.853 1.00 0.00 N ATOM 1573 CA LEU A 105 10.201 -5.729 -6.312 1.00 0.00 C ATOM 1574 C LEU A 105 9.875 -6.778 -5.305 1.00 0.00 C ATOM 1575 O LEU A 105 9.447 -6.422 -4.208 1.00 0.00 O ATOM 1576 CB LEU A 105 9.040 -5.581 -7.310 1.00 0.00 C ATOM 1577 CG LEU A 105 7.662 -5.285 -6.695 1.00 0.00 C ATOM 1578 CD1 LEU A 105 7.537 -3.847 -6.164 1.00 0.00 C ATOM 1579 CD2 LEU A 105 6.647 -5.568 -7.816 1.00 0.00 C ATOM 0 H LEU A 105 11.490 -6.017 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 105 10.276 -4.749 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.285 -4.780 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.967 -6.499 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 105 7.489 -5.910 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.543 -3.700 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.287 -3.678 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.693 -3.143 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.638 -5.378 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.853 -4.918 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.730 -6.609 -8.128 1.00 0.00 H new ATOM 1591 N ARG A 106 10.222 -8.069 -5.446 1.00 0.00 N ATOM 1592 CA ARG A 106 10.017 -9.017 -4.395 1.00 0.00 C ATOM 1593 C ARG A 106 10.937 -8.957 -3.224 1.00 0.00 C ATOM 1594 O ARG A 106 10.513 -9.099 -2.078 1.00 0.00 O ATOM 1595 CB ARG A 106 10.070 -10.390 -5.085 1.00 0.00 C ATOM 1596 CG ARG A 106 10.098 -11.615 -4.169 1.00 0.00 C ATOM 1597 CD ARG A 106 10.147 -12.967 -4.886 1.00 0.00 C ATOM 1598 NE ARG A 106 9.852 -14.015 -3.869 1.00 0.00 N ATOM 1599 CZ ARG A 106 9.260 -15.212 -4.153 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.934 -15.632 -5.410 1.00 0.00 N ATOM 1601 NH2 ARG A 106 8.872 -15.989 -3.099 1.00 0.00 N ATOM 0 H ARG A 106 10.645 -8.457 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 106 9.064 -8.789 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.204 -10.475 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.956 -10.419 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.965 -11.538 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.214 -11.592 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.418 -13.000 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.127 -13.130 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 106 10.108 -13.826 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.132 -15.036 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.492 -16.541 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.028 -15.668 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.426 -16.891 -3.267 1.00 0.00 H new ATOM 1615 N HIS A 107 12.173 -8.498 -3.489 1.00 0.00 N ATOM 1616 CA HIS A 107 13.141 -8.247 -2.467 1.00 0.00 C ATOM 1617 C HIS A 107 12.852 -7.069 -1.601 1.00 0.00 C ATOM 1618 O HIS A 107 12.887 -7.231 -0.382 1.00 0.00 O ATOM 1619 CB HIS A 107 14.524 -7.939 -3.064 1.00 0.00 C ATOM 1620 CG HIS A 107 15.581 -7.871 -2.002 1.00 0.00 C ATOM 1621 ND1 HIS A 107 16.124 -8.944 -1.325 1.00 0.00 N ATOM 1622 CD2 HIS A 107 16.221 -6.788 -1.484 1.00 0.00 C ATOM 1623 CE1 HIS A 107 17.055 -8.449 -0.465 1.00 0.00 C ATOM 1624 NE2 HIS A 107 17.150 -7.134 -0.524 1.00 0.00 N ATOM 0 H HIS A 107 12.507 -8.297 -4.432 1.00 0.00 H new ATOM 0 HA HIS A 107 13.109 -9.165 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.787 -8.708 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.486 -6.992 -3.602 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.024 -5.771 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.650 -9.064 0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.763 -6.520 0.012 1.00 0.00 H new ATOM 1632 N VAL A 108 12.409 -5.967 -2.232 1.00 0.00 N ATOM 1633 CA VAL A 108 11.951 -4.830 -1.496 1.00 0.00 C ATOM 1634 C VAL A 108 10.704 -5.158 -0.750 1.00 0.00 C ATOM 1635 O VAL A 108 10.526 -4.835 0.423 1.00 0.00 O ATOM 1636 CB VAL A 108 11.783 -3.613 -2.357 1.00 0.00 C ATOM 1637 CG1 VAL A 108 11.400 -2.316 -1.626 1.00 0.00 C ATOM 1638 CG2 VAL A 108 13.202 -3.282 -2.850 1.00 0.00 C ATOM 0 H VAL A 108 12.368 -5.863 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 108 12.726 -4.578 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 108 11.005 -3.858 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.307 -1.505 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.449 -2.455 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.173 -2.067 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.168 -2.400 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.848 -3.085 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.597 -4.126 -3.416 1.00 0.00 H new ATOM 1648 N MET A 109 9.772 -5.844 -1.436 1.00 0.00 N ATOM 1649 CA MET A 109 8.531 -6.060 -0.760 1.00 0.00 C ATOM 1650 C MET A 109 8.536 -7.163 0.241 1.00 0.00 C ATOM 1651 O MET A 109 7.729 -7.189 1.168 1.00 0.00 O ATOM 1652 CB MET A 109 7.326 -6.052 -1.717 1.00 0.00 C ATOM 1653 CG MET A 109 7.146 -4.771 -2.534 1.00 0.00 C ATOM 1654 SD MET A 109 6.554 -3.362 -1.549 1.00 0.00 S ATOM 1655 CE MET A 109 7.317 -2.261 -2.775 1.00 0.00 C ATOM 0 H MET A 109 9.860 -6.222 -2.379 1.00 0.00 H new ATOM 0 HA MET A 109 8.398 -5.183 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.425 -6.891 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.420 -6.222 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.097 -4.507 -2.996 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.440 -4.961 -3.343 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.074 -1.226 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.399 -2.393 -2.759 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.937 -2.502 -3.768 1.00 0.00 H new ATOM 1665 N THR A 110 9.374 -8.207 0.103 1.00 0.00 N ATOM 1666 CA THR A 110 9.679 -9.068 1.203 1.00 0.00 C ATOM 1667 C THR A 110 10.230 -8.372 2.399 1.00 0.00 C ATOM 1668 O THR A 110 9.739 -8.472 3.523 1.00 0.00 O ATOM 1669 CB THR A 110 10.731 -10.098 0.916 1.00 0.00 C ATOM 1670 OG1 THR A 110 10.270 -10.940 -0.130 1.00 0.00 O ATOM 1671 CG2 THR A 110 10.872 -11.161 2.019 1.00 0.00 C ATOM 0 H THR A 110 9.840 -8.454 -0.770 1.00 0.00 H new ATOM 0 HA THR A 110 8.697 -9.506 1.383 1.00 0.00 H new ATOM 0 HB THR A 110 11.639 -9.518 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.260 -10.440 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.651 -11.871 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.139 -10.677 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.926 -11.689 2.139 1.00 0.00 H new ATOM 1679 N ASN A 111 11.230 -7.483 2.261 1.00 0.00 N ATOM 1680 CA ASN A 111 11.852 -6.764 3.328 1.00 0.00 C ATOM 1681 C ASN A 111 11.087 -5.581 3.813 1.00 0.00 C ATOM 1682 O ASN A 111 11.426 -4.865 4.754 1.00 0.00 O ATOM 1683 CB ASN A 111 13.270 -6.292 2.963 1.00 0.00 C ATOM 1684 CG ASN A 111 14.237 -7.429 3.261 1.00 0.00 C ATOM 1685 OD1 ASN A 111 14.308 -7.764 4.442 1.00 0.00 O ATOM 1686 ND2 ASN A 111 14.981 -7.922 2.234 1.00 0.00 N ATOM 0 H ASN A 111 11.627 -7.253 1.350 1.00 0.00 H new ATOM 0 HA ASN A 111 11.885 -7.496 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.320 -6.016 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.536 -5.405 3.538 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.681 -8.643 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.839 -7.571 1.287 1.00 0.00 H new ATOM 1693 N LEU A 112 9.847 -5.429 3.315 1.00 0.00 N ATOM 1694 CA LEU A 112 8.863 -4.493 3.763 1.00 0.00 C ATOM 1695 C LEU A 112 8.271 -4.921 5.061 1.00 0.00 C ATOM 1696 O LEU A 112 8.285 -4.254 6.094 1.00 0.00 O ATOM 1697 CB LEU A 112 7.780 -4.131 2.733 1.00 0.00 C ATOM 1698 CG LEU A 112 7.067 -2.790 2.976 1.00 0.00 C ATOM 1699 CD1 LEU A 112 7.926 -1.562 2.631 1.00 0.00 C ATOM 1700 CD2 LEU A 112 5.814 -2.610 2.102 1.00 0.00 C ATOM 0 H LEU A 112 9.509 -6.003 2.543 1.00 0.00 H new ATOM 0 HA LEU A 112 9.409 -3.561 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.236 -4.108 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.033 -4.925 2.721 1.00 0.00 H new ATOM 0 HG LEU A 112 6.835 -2.839 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.357 -0.653 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.828 -1.565 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.203 -1.596 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.355 -1.646 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.096 -2.650 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.103 -3.407 2.317 1.00 0.00 H new ATOM 1712 N GLY A 113 7.876 -6.206 5.091 1.00 0.00 N ATOM 1713 CA GLY A 113 7.403 -6.698 6.348 1.00 0.00 C ATOM 1714 C GLY A 113 7.157 -8.164 6.241 1.00 0.00 C ATOM 1715 O GLY A 113 7.804 -9.005 6.862 1.00 0.00 O ATOM 0 H GLY A 113 7.880 -6.862 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.136 -6.496 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.485 -6.183 6.631 1.00 0.00 H new ATOM 1719 N GLU A 114 6.112 -8.518 5.472 1.00 0.00 N ATOM 1720 CA GLU A 114 5.586 -9.848 5.433 1.00 0.00 C ATOM 1721 C GLU A 114 6.223 -10.663 4.361 1.00 0.00 C ATOM 1722 O GLU A 114 6.505 -10.158 3.276 1.00 0.00 O ATOM 1723 CB GLU A 114 4.055 -9.992 5.444 1.00 0.00 C ATOM 1724 CG GLU A 114 3.466 -9.356 4.184 1.00 0.00 C ATOM 1725 CD GLU A 114 1.970 -9.627 4.125 1.00 0.00 C ATOM 1726 OE1 GLU A 114 1.650 -10.720 3.585 1.00 0.00 O ATOM 1727 OE2 GLU A 114 1.179 -8.762 4.587 1.00 0.00 O ATOM 0 H GLU A 114 5.620 -7.864 4.862 1.00 0.00 H new ATOM 0 HA GLU A 114 5.870 -10.257 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.780 -11.046 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.642 -9.513 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.651 -8.282 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.954 -9.762 3.298 1.00 0.00 H new ATOM 1734 N LYS A 115 6.382 -11.992 4.490 1.00 0.00 N ATOM 1735 CA LYS A 115 6.998 -12.831 3.510 1.00 0.00 C ATOM 1736 C LYS A 115 6.136 -13.134 2.333 1.00 0.00 C ATOM 1737 O LYS A 115 4.959 -13.456 2.487 1.00 0.00 O ATOM 1738 CB LYS A 115 7.366 -14.179 4.154 1.00 0.00 C ATOM 1739 CG LYS A 115 8.421 -14.184 5.262 1.00 0.00 C ATOM 1740 CD LYS A 115 8.850 -15.547 5.809 1.00 0.00 C ATOM 1741 CE LYS A 115 7.869 -16.306 6.704 1.00 0.00 C ATOM 1742 NZ LYS A 115 7.294 -15.522 7.819 1.00 0.00 N ATOM 0 H LYS A 115 6.067 -12.504 5.314 1.00 0.00 H new ATOM 0 HA LYS A 115 7.866 -12.276 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.453 -14.614 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.711 -14.844 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.309 -13.676 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.041 -13.590 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.090 -16.187 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.773 -15.405 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.053 -16.680 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.379 -17.176 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.657 -16.126 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.060 -15.172 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.760 -14.715 7.437 1.00 0.00 H new ATOM 1756 N LEU A 116 6.599 -13.060 1.072 1.00 0.00 N ATOM 1757 CA LEU A 116 5.738 -13.206 -0.060 1.00 0.00 C ATOM 1758 C LEU A 116 5.784 -14.605 -0.570 1.00 0.00 C ATOM 1759 O LEU A 116 6.827 -15.204 -0.825 1.00 0.00 O ATOM 1760 CB LEU A 116 6.251 -12.287 -1.182 1.00 0.00 C ATOM 1761 CG LEU A 116 6.471 -10.829 -0.745 1.00 0.00 C ATOM 1762 CD1 LEU A 116 7.070 -10.014 -1.903 1.00 0.00 C ATOM 1763 CD2 LEU A 116 5.124 -10.179 -0.386 1.00 0.00 C ATOM 0 H LEU A 116 7.578 -12.898 0.836 1.00 0.00 H new ATOM 0 HA LEU A 116 4.719 -12.954 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.190 -12.687 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.538 -12.305 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 116 7.143 -10.834 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.222 -8.983 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.026 -10.447 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.387 -10.033 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.289 -9.147 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.468 -10.197 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.659 -10.732 0.431 1.00 0.00 H new ATOM 1775 N THR A 117 4.601 -15.213 -0.772 1.00 0.00 N ATOM 1776 CA THR A 117 4.482 -16.474 -1.436 1.00 0.00 C ATOM 1777 C THR A 117 4.548 -16.255 -2.908 1.00 0.00 C ATOM 1778 O THR A 117 4.267 -15.155 -3.381 1.00 0.00 O ATOM 1779 CB THR A 117 3.221 -17.242 -1.174 1.00 0.00 C ATOM 1780 OG1 THR A 117 2.032 -16.596 -1.604 1.00 0.00 O ATOM 1781 CG2 THR A 117 3.115 -17.515 0.336 1.00 0.00 C ATOM 0 H THR A 117 3.710 -14.821 -0.468 1.00 0.00 H new ATOM 0 HA THR A 117 5.303 -17.068 -1.034 1.00 0.00 H new ATOM 0 HB THR A 117 3.297 -18.159 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.259 -17.162 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 117 2.202 -18.073 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.977 -18.097 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 117 3.091 -16.568 0.876 1.00 0.00 H new ATOM 1789 N ASP A 118 4.837 -17.264 -3.748 1.00 0.00 N ATOM 1790 CA ASP A 118 5.075 -17.019 -5.137 1.00 0.00 C ATOM 1791 C ASP A 118 3.939 -16.502 -5.950 1.00 0.00 C ATOM 1792 O ASP A 118 4.023 -15.577 -6.756 1.00 0.00 O ATOM 1793 CB ASP A 118 5.509 -18.357 -5.758 1.00 0.00 C ATOM 1794 CG ASP A 118 6.885 -18.792 -5.274 1.00 0.00 C ATOM 1795 OD1 ASP A 118 7.805 -17.961 -5.495 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.993 -19.894 -4.673 1.00 0.00 O ATOM 0 H ASP A 118 4.906 -18.243 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 118 5.818 -16.222 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.778 -19.126 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.519 -18.266 -6.844 1.00 0.00 H new ATOM 1801 N GLU A 119 2.754 -17.058 -5.640 1.00 0.00 N ATOM 1802 CA GLU A 119 1.531 -16.600 -6.222 1.00 0.00 C ATOM 1803 C GLU A 119 1.158 -15.228 -5.777 1.00 0.00 C ATOM 1804 O GLU A 119 0.538 -14.457 -6.507 1.00 0.00 O ATOM 1805 CB GLU A 119 0.319 -17.449 -5.801 1.00 0.00 C ATOM 1806 CG GLU A 119 0.275 -18.776 -6.561 1.00 0.00 C ATOM 1807 CD GLU A 119 -0.732 -19.688 -5.875 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -0.681 -19.792 -4.621 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -1.637 -20.209 -6.581 1.00 0.00 O ATOM 0 H GLU A 119 2.643 -17.830 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 119 1.731 -16.653 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.364 -17.643 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.599 -16.892 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.010 -18.609 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.261 -19.240 -6.572 1.00 0.00 H new ATOM 1816 N GLU A 120 1.556 -14.777 -4.574 1.00 0.00 N ATOM 1817 CA GLU A 120 1.351 -13.426 -4.151 1.00 0.00 C ATOM 1818 C GLU A 120 2.142 -12.421 -4.915 1.00 0.00 C ATOM 1819 O GLU A 120 1.566 -11.398 -5.281 1.00 0.00 O ATOM 1820 CB GLU A 120 1.417 -13.438 -2.615 1.00 0.00 C ATOM 1821 CG GLU A 120 1.056 -12.060 -2.056 1.00 0.00 C ATOM 1822 CD GLU A 120 -0.440 -11.777 -2.044 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -1.253 -12.696 -1.758 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -0.839 -10.592 -2.200 1.00 0.00 O ATOM 0 H GLU A 120 2.028 -15.360 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 120 0.364 -13.044 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.732 -14.189 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.419 -13.719 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.440 -11.978 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.557 -11.295 -2.649 1.00 0.00 H new ATOM 1831 N VAL A 121 3.372 -12.768 -5.334 1.00 0.00 N ATOM 1832 CA VAL A 121 4.279 -12.002 -6.132 1.00 0.00 C ATOM 1833 C VAL A 121 3.742 -11.813 -7.509 1.00 0.00 C ATOM 1834 O VAL A 121 3.721 -10.702 -8.036 1.00 0.00 O ATOM 1835 CB VAL A 121 5.718 -12.425 -6.147 1.00 0.00 C ATOM 1836 CG1 VAL A 121 6.602 -11.567 -7.068 1.00 0.00 C ATOM 1837 CG2 VAL A 121 6.427 -12.420 -4.783 1.00 0.00 C ATOM 0 H VAL A 121 3.768 -13.675 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 121 4.328 -11.046 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 121 5.625 -13.449 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.629 -11.930 -7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.233 -11.633 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.572 -10.529 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.461 -12.742 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.409 -11.413 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.915 -13.102 -4.104 1.00 0.00 H new ATOM 1847 N ASP A 122 3.150 -12.859 -8.112 1.00 0.00 N ATOM 1848 CA ASP A 122 2.517 -12.791 -9.393 1.00 0.00 C ATOM 1849 C ASP A 122 1.262 -11.990 -9.460 1.00 0.00 C ATOM 1850 O ASP A 122 1.011 -11.363 -10.488 1.00 0.00 O ATOM 1851 CB ASP A 122 2.158 -14.202 -9.887 1.00 0.00 C ATOM 1852 CG ASP A 122 3.386 -14.980 -10.340 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.324 -14.430 -10.976 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.297 -16.232 -10.237 1.00 0.00 O ATOM 0 H ASP A 122 3.110 -13.788 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 122 3.259 -12.289 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.657 -14.749 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.451 -14.127 -10.714 1.00 0.00 H new ATOM 1859 N GLU A 123 0.459 -11.950 -8.382 1.00 0.00 N ATOM 1860 CA GLU A 123 -0.657 -11.065 -8.256 1.00 0.00 C ATOM 1861 C GLU A 123 -0.325 -9.654 -7.910 1.00 0.00 C ATOM 1862 O GLU A 123 -1.049 -8.734 -8.284 1.00 0.00 O ATOM 1863 CB GLU A 123 -1.568 -11.540 -7.111 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.259 -12.813 -7.605 1.00 0.00 C ATOM 1865 CD GLU A 123 -3.722 -12.611 -7.973 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -4.538 -12.059 -7.188 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -4.012 -13.076 -9.107 1.00 0.00 O ATOM 0 H GLU A 123 0.591 -12.554 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.115 -11.086 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.987 -11.738 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.301 -10.775 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.724 -13.192 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.190 -13.577 -6.831 1.00 0.00 H new ATOM 1874 N MET A 124 0.806 -9.373 -7.237 1.00 0.00 N ATOM 1875 CA MET A 124 1.386 -8.080 -7.049 1.00 0.00 C ATOM 1876 C MET A 124 1.764 -7.404 -8.322 1.00 0.00 C ATOM 1877 O MET A 124 1.159 -6.393 -8.675 1.00 0.00 O ATOM 1878 CB MET A 124 2.531 -8.287 -6.043 1.00 0.00 C ATOM 1879 CG MET A 124 3.372 -7.039 -5.764 1.00 0.00 C ATOM 1880 SD MET A 124 4.758 -7.254 -4.607 1.00 0.00 S ATOM 1881 CE MET A 124 3.958 -8.130 -3.232 1.00 0.00 C ATOM 0 H MET A 124 1.355 -10.108 -6.791 1.00 0.00 H new ATOM 0 HA MET A 124 0.666 -7.368 -6.646 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.110 -8.642 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.186 -9.074 -6.416 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.769 -6.673 -6.711 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.715 -6.262 -5.372 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.631 -8.155 -2.375 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.039 -7.613 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.723 -9.149 -3.538 1.00 0.00 H new ATOM 1891 N ILE A 125 2.681 -8.086 -9.032 1.00 0.00 N ATOM 1892 CA ILE A 125 3.008 -7.934 -10.416 1.00 0.00 C ATOM 1893 C ILE A 125 1.842 -7.772 -11.331 1.00 0.00 C ATOM 1894 O ILE A 125 1.837 -6.756 -12.024 1.00 0.00 O ATOM 1895 CB ILE A 125 3.955 -9.001 -10.878 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.320 -8.941 -10.172 1.00 0.00 C ATOM 1897 CG2 ILE A 125 4.030 -9.213 -12.400 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.186 -10.200 -10.187 1.00 0.00 C ATOM 0 H ILE A 125 3.246 -8.813 -8.593 1.00 0.00 H new ATOM 0 HA ILE A 125 3.521 -6.974 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 125 3.493 -9.929 -10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.896 -8.133 -10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.147 -8.666 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.744 -10.006 -12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.047 -9.494 -12.777 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.353 -8.289 -12.881 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.116 -10.008 -9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.650 -11.016 -9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.410 -10.475 -11.218 1.00 0.00 H new ATOM 1910 N ARG A 126 0.764 -8.576 -11.352 1.00 0.00 N ATOM 1911 CA ARG A 126 -0.361 -8.384 -12.213 1.00 0.00 C ATOM 1912 C ARG A 126 -0.978 -7.029 -12.181 1.00 0.00 C ATOM 1913 O ARG A 126 -1.182 -6.504 -13.275 1.00 0.00 O ATOM 1914 CB ARG A 126 -1.368 -9.519 -11.958 1.00 0.00 C ATOM 1915 CG ARG A 126 -2.488 -9.560 -12.999 1.00 0.00 C ATOM 1916 CD ARG A 126 -2.124 -9.468 -14.482 1.00 0.00 C ATOM 1917 NE ARG A 126 -3.393 -9.313 -15.248 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.652 -8.229 -16.035 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.727 -7.336 -16.496 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -4.929 -8.023 -16.471 1.00 0.00 N ATOM 0 H ARG A 126 0.673 -9.391 -10.746 1.00 0.00 H new ATOM 0 HA ARG A 126 0.005 -8.433 -13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.841 -10.473 -11.959 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.804 -9.397 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.040 -10.488 -12.852 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.174 -8.743 -12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.462 -8.621 -14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.590 -10.363 -14.802 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.097 -10.048 -15.181 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.743 -7.451 -16.255 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.021 -6.554 -17.081 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.669 -8.674 -16.208 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.143 -7.218 -17.060 1.00 0.00 H new ATOM 1934 N GLU A 127 -1.170 -6.483 -10.967 1.00 0.00 N ATOM 1935 CA GLU A 127 -1.735 -5.202 -10.678 1.00 0.00 C ATOM 1936 C GLU A 127 -0.777 -4.100 -10.975 1.00 0.00 C ATOM 1937 O GLU A 127 -1.184 -3.034 -11.434 1.00 0.00 O ATOM 1938 CB GLU A 127 -2.395 -5.051 -9.297 1.00 0.00 C ATOM 1939 CG GLU A 127 -1.413 -4.942 -8.129 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.185 -4.749 -6.831 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -3.016 -5.563 -6.347 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.768 -3.787 -6.131 1.00 0.00 O ATOM 0 H GLU A 127 -0.907 -6.982 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.578 -5.121 -11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.027 -4.163 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.049 -5.906 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.801 -5.842 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.734 -4.104 -8.288 1.00 0.00 H new ATOM 1949 N ALA A 128 0.510 -4.267 -10.623 1.00 0.00 N ATOM 1950 CA ALA A 128 1.569 -3.347 -10.906 1.00 0.00 C ATOM 1951 C ALA A 128 1.948 -3.193 -12.339 1.00 0.00 C ATOM 1952 O ALA A 128 2.296 -2.102 -12.789 1.00 0.00 O ATOM 1953 CB ALA A 128 2.814 -3.955 -10.238 1.00 0.00 C ATOM 0 H ALA A 128 0.830 -5.090 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 128 1.231 -2.370 -10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.673 -3.306 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.641 -4.052 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.012 -4.939 -10.664 1.00 0.00 H new ATOM 1959 N ASP A 129 1.953 -4.227 -13.198 1.00 0.00 N ATOM 1960 CA ASP A 129 2.737 -4.192 -14.394 1.00 0.00 C ATOM 1961 C ASP A 129 1.752 -4.037 -15.501 1.00 0.00 C ATOM 1962 O ASP A 129 0.890 -4.888 -15.712 1.00 0.00 O ATOM 1963 CB ASP A 129 3.613 -5.446 -14.551 1.00 0.00 C ATOM 1964 CG ASP A 129 4.734 -5.111 -15.525 1.00 0.00 C ATOM 1965 OD1 ASP A 129 4.484 -5.198 -16.757 1.00 0.00 O ATOM 1966 OD2 ASP A 129 5.804 -4.598 -15.102 1.00 0.00 O ATOM 0 H ASP A 129 1.417 -5.085 -13.066 1.00 0.00 H new ATOM 0 HA ASP A 129 3.452 -3.369 -14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.022 -5.749 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.021 -6.282 -14.923 1.00 0.00 H new ATOM 1971 N ILE A 130 1.880 -2.954 -16.288 1.00 0.00 N ATOM 1972 CA ILE A 130 1.136 -2.743 -17.491 1.00 0.00 C ATOM 1973 C ILE A 130 1.472 -3.599 -18.663 1.00 0.00 C ATOM 1974 O ILE A 130 0.550 -4.148 -19.265 1.00 0.00 O ATOM 1975 CB ILE A 130 1.027 -1.300 -17.888 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -0.401 -1.115 -18.427 1.00 0.00 C ATOM 1977 CG2 ILE A 130 2.037 -0.829 -18.948 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -1.470 -0.999 -17.341 1.00 0.00 C ATOM 0 H ILE A 130 2.528 -2.195 -16.078 1.00 0.00 H new ATOM 0 HA ILE A 130 0.151 -3.094 -17.183 1.00 0.00 H new ATOM 0 HB ILE A 130 1.253 -0.694 -17.010 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.430 -0.219 -19.047 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.646 -1.958 -19.073 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.873 0.227 -19.163 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.051 -0.969 -18.572 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.904 -1.410 -19.861 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.448 -0.871 -17.805 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.472 -1.905 -16.734 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.253 -0.139 -16.708 1.00 0.00 H new ATOM 1990 N ASP A 131 2.758 -3.778 -19.011 1.00 0.00 N ATOM 1991 CA ASP A 131 3.123 -4.527 -20.174 1.00 0.00 C ATOM 1992 C ASP A 131 2.846 -5.981 -20.001 1.00 0.00 C ATOM 1993 O ASP A 131 2.544 -6.585 -21.029 1.00 0.00 O ATOM 1994 CB ASP A 131 4.576 -4.266 -20.606 1.00 0.00 C ATOM 1995 CG ASP A 131 5.056 -2.883 -20.190 1.00 0.00 C ATOM 1996 OD1 ASP A 131 5.260 -2.596 -18.980 1.00 0.00 O ATOM 1997 OD2 ASP A 131 5.066 -1.933 -21.017 1.00 0.00 O ATOM 0 H ASP A 131 3.548 -3.403 -18.486 1.00 0.00 H new ATOM 0 HA ASP A 131 2.491 -4.172 -20.988 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.226 -5.023 -20.167 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.656 -4.367 -21.688 1.00 0.00 H new ATOM 2002 N GLY A 132 2.998 -6.464 -18.755 1.00 0.00 N ATOM 2003 CA GLY A 132 3.141 -7.882 -18.639 1.00 0.00 C ATOM 2004 C GLY A 132 4.539 -8.365 -18.459 1.00 0.00 C ATOM 2005 O GLY A 132 4.735 -9.579 -18.410 1.00 0.00 O ATOM 0 H GLY A 132 3.021 -5.924 -17.890 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.544 -8.224 -17.794 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.725 -8.348 -19.532 1.00 0.00 H new ATOM 2009 N ASP A 133 5.517 -7.445 -18.541 1.00 0.00 N ATOM 2010 CA ASP A 133 6.900 -7.803 -18.490 1.00 0.00 C ATOM 2011 C ASP A 133 7.295 -8.251 -17.125 1.00 0.00 C ATOM 2012 O ASP A 133 7.936 -9.297 -17.038 1.00 0.00 O ATOM 2013 CB ASP A 133 7.800 -6.872 -19.319 1.00 0.00 C ATOM 2014 CG ASP A 133 7.805 -5.445 -18.790 1.00 0.00 C ATOM 2015 OD1 ASP A 133 7.198 -5.205 -17.712 1.00 0.00 O ATOM 2016 OD2 ASP A 133 8.461 -4.611 -19.470 1.00 0.00 O ATOM 0 H ASP A 133 5.347 -6.445 -18.644 1.00 0.00 H new ATOM 0 HA ASP A 133 7.093 -8.717 -19.052 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.818 -7.260 -19.318 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.461 -6.871 -20.355 1.00 0.00 H new ATOM 2021 N GLY A 134 7.023 -7.490 -16.050 1.00 0.00 N ATOM 2022 CA GLY A 134 7.426 -7.717 -14.696 1.00 0.00 C ATOM 2023 C GLY A 134 8.367 -6.690 -14.167 1.00 0.00 C ATOM 2024 O GLY A 134 8.554 -6.615 -12.954 1.00 0.00 O ATOM 0 H GLY A 134 6.470 -6.638 -16.139 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.539 -7.744 -14.063 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.897 -8.698 -14.627 1.00 0.00 H new ATOM 2028 N GLN A 135 9.028 -6.010 -15.121 1.00 0.00 N ATOM 2029 CA GLN A 135 9.818 -4.877 -14.748 1.00 0.00 C ATOM 2030 C GLN A 135 9.019 -3.628 -14.601 1.00 0.00 C ATOM 2031 O GLN A 135 8.439 -3.170 -15.584 1.00 0.00 O ATOM 2032 CB GLN A 135 11.145 -4.875 -15.525 1.00 0.00 C ATOM 2033 CG GLN A 135 11.023 -4.526 -17.010 1.00 0.00 C ATOM 2034 CD GLN A 135 12.406 -4.583 -17.643 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.311 -3.938 -17.115 1.00 0.00 O ATOM 2036 NE2 GLN A 135 12.646 -5.264 -18.795 1.00 0.00 N ATOM 0 H GLN A 135 9.019 -6.233 -16.116 1.00 0.00 H new ATOM 0 HA GLN A 135 10.166 -4.951 -13.718 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.823 -4.163 -15.054 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.603 -5.860 -15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 135 10.351 -5.225 -17.508 1.00 0.00 H new ATOM 0 HG3 GLN A 135 10.594 -3.531 -17.130 1.00 0.00 H new ATOM 0 HE21 GLN A 135 11.898 -5.800 -19.236 1.00 0.00 H new ATOM 0 HE22 GLN A 135 13.574 -5.239 -19.218 1.00 0.00 H new ATOM 2045 N VAL A 136 8.916 -3.054 -13.389 1.00 0.00 N ATOM 2046 CA VAL A 136 7.971 -2.051 -13.008 1.00 0.00 C ATOM 2047 C VAL A 136 8.587 -0.703 -13.160 1.00 0.00 C ATOM 2048 O VAL A 136 9.659 -0.373 -12.656 1.00 0.00 O ATOM 2049 CB VAL A 136 7.539 -2.239 -11.584 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.039 -1.019 -10.793 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.421 -3.283 -11.747 1.00 0.00 C ATOM 0 H VAL A 136 9.538 -3.310 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 136 7.097 -2.138 -13.654 1.00 0.00 H new ATOM 0 HB VAL A 136 8.401 -2.510 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.767 -1.327 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.828 -0.269 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.167 -0.595 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.002 -3.523 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.637 -2.880 -12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.830 -4.187 -12.199 1.00 0.00 H new ATOM 2061 N ASN A 137 8.026 0.103 -14.079 1.00 0.00 N ATOM 2062 CA ASN A 137 8.483 1.416 -14.412 1.00 0.00 C ATOM 2063 C ASN A 137 7.974 2.398 -13.414 1.00 0.00 C ATOM 2064 O ASN A 137 7.184 2.048 -12.538 1.00 0.00 O ATOM 2065 CB ASN A 137 8.119 1.873 -15.835 1.00 0.00 C ATOM 2066 CG ASN A 137 9.075 2.818 -16.550 1.00 0.00 C ATOM 2067 OD1 ASN A 137 9.624 3.766 -15.992 1.00 0.00 O ATOM 2068 ND2 ASN A 137 9.280 2.479 -17.851 1.00 0.00 N ATOM 0 H ASN A 137 7.208 -0.178 -14.619 1.00 0.00 H new ATOM 0 HA ASN A 137 9.572 1.370 -14.385 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.006 0.982 -16.453 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.143 2.356 -15.791 1.00 0.00 H new ATOM 0 HD21 ASN A 137 9.922 3.025 -18.425 1.00 0.00 H new ATOM 0 HD22 ASN A 137 8.791 1.679 -18.253 1.00 0.00 H new ATOM 2075 N TYR A 138 8.285 3.699 -13.553 1.00 0.00 N ATOM 2076 CA TYR A 138 7.959 4.733 -12.621 1.00 0.00 C ATOM 2077 C TYR A 138 6.486 4.885 -12.459 1.00 0.00 C ATOM 2078 O TYR A 138 5.975 4.838 -11.341 1.00 0.00 O ATOM 2079 CB TYR A 138 8.673 6.029 -13.041 1.00 0.00 C ATOM 2080 CG TYR A 138 8.088 7.222 -12.365 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.048 7.511 -11.022 1.00 0.00 C ATOM 2082 CD2 TYR A 138 7.451 8.089 -13.221 1.00 0.00 C ATOM 2083 CE1 TYR A 138 7.412 8.636 -10.552 1.00 0.00 C ATOM 2084 CE2 TYR A 138 6.877 9.257 -12.776 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.788 9.496 -11.425 1.00 0.00 C ATOM 2086 OH TYR A 138 6.184 10.651 -10.886 1.00 0.00 O ATOM 0 H TYR A 138 8.794 4.049 -14.364 1.00 0.00 H new ATOM 0 HA TYR A 138 8.320 4.464 -11.628 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.733 5.956 -12.798 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.601 6.151 -14.122 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.525 6.841 -10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 138 7.400 7.846 -14.272 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.403 8.845 -9.492 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.499 9.981 -13.483 1.00 0.00 H new ATOM 0 HH TYR A 138 5.779 11.176 -11.608 1.00 0.00 H new ATOM 2096 N GLU A 139 5.698 4.933 -13.548 1.00 0.00 N ATOM 2097 CA GLU A 139 4.274 5.065 -13.569 1.00 0.00 C ATOM 2098 C GLU A 139 3.574 3.873 -13.012 1.00 0.00 C ATOM 2099 O GLU A 139 2.510 4.018 -12.413 1.00 0.00 O ATOM 2100 CB GLU A 139 3.596 5.734 -14.777 1.00 0.00 C ATOM 2101 CG GLU A 139 3.990 7.187 -15.050 1.00 0.00 C ATOM 2102 CD GLU A 139 3.169 7.881 -16.127 1.00 0.00 C ATOM 2103 OE1 GLU A 139 2.123 8.490 -15.779 1.00 0.00 O ATOM 2104 OE2 GLU A 139 3.554 7.748 -17.320 1.00 0.00 O ATOM 0 H GLU A 139 6.089 4.875 -14.488 1.00 0.00 H new ATOM 0 HA GLU A 139 4.122 5.880 -12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 139 3.820 5.145 -15.666 1.00 0.00 H new ATOM 0 HB3 GLU A 139 2.517 5.693 -14.631 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.899 7.753 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.040 7.215 -15.339 1.00 0.00 H new ATOM 2111 N GLU A 140 4.196 2.695 -13.191 1.00 0.00 N ATOM 2112 CA GLU A 140 3.769 1.397 -12.767 1.00 0.00 C ATOM 2113 C GLU A 140 3.858 1.341 -11.281 1.00 0.00 C ATOM 2114 O GLU A 140 2.826 1.057 -10.674 1.00 0.00 O ATOM 2115 CB GLU A 140 4.627 0.331 -13.468 1.00 0.00 C ATOM 2116 CG GLU A 140 4.567 0.408 -14.995 1.00 0.00 C ATOM 2117 CD GLU A 140 5.131 -0.798 -15.731 1.00 0.00 C ATOM 2118 OE1 GLU A 140 4.385 -1.769 -16.032 1.00 0.00 O ATOM 2119 OE2 GLU A 140 6.327 -0.908 -16.114 1.00 0.00 O ATOM 0 H GLU A 140 5.088 2.649 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 140 2.734 1.198 -13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.663 0.441 -13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.297 -0.658 -13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.528 0.542 -15.295 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.109 1.296 -15.319 1.00 0.00 H new ATOM 2126 N PHE A 141 4.990 1.730 -10.669 1.00 0.00 N ATOM 2127 CA PHE A 141 5.083 1.906 -9.253 1.00 0.00 C ATOM 2128 C PHE A 141 4.082 2.863 -8.702 1.00 0.00 C ATOM 2129 O PHE A 141 3.360 2.499 -7.776 1.00 0.00 O ATOM 2130 CB PHE A 141 6.499 2.346 -8.843 1.00 0.00 C ATOM 2131 CG PHE A 141 6.780 2.382 -7.380 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.875 1.212 -6.665 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.080 3.597 -6.810 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.331 1.248 -5.369 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.502 3.687 -5.505 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.576 2.490 -4.832 1.00 0.00 C ATOM 0 H PHE A 141 5.858 1.926 -11.167 1.00 0.00 H new ATOM 0 HA PHE A 141 4.860 0.929 -8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.216 1.673 -9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.680 3.340 -9.251 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.594 0.273 -7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.982 4.497 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.489 0.344 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.757 4.629 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 141 7.851 2.529 -3.788 1.00 0.00 H new ATOM 2146 N VAL A 142 3.852 4.061 -9.270 1.00 0.00 N ATOM 2147 CA VAL A 142 2.877 5.017 -8.843 1.00 0.00 C ATOM 2148 C VAL A 142 1.472 4.524 -8.786 1.00 0.00 C ATOM 2149 O VAL A 142 0.779 4.662 -7.780 1.00 0.00 O ATOM 2150 CB VAL A 142 2.870 6.178 -9.792 1.00 0.00 C ATOM 2151 CG1 VAL A 142 1.885 7.224 -9.241 1.00 0.00 C ATOM 2152 CG2 VAL A 142 4.177 6.984 -9.867 1.00 0.00 C ATOM 0 H VAL A 142 4.382 4.382 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 142 3.180 5.273 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 142 2.649 5.735 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.856 8.084 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.890 6.785 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.211 7.545 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.062 7.799 -10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.408 7.394 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.989 6.332 -10.188 1.00 0.00 H new ATOM 2162 N GLN A 143 1.072 3.850 -9.879 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.208 3.225 -10.002 1.00 0.00 C ATOM 2164 C GLN A 143 -0.440 2.097 -9.057 1.00 0.00 C ATOM 2165 O GLN A 143 -1.458 1.955 -8.380 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.412 2.663 -11.419 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.773 2.011 -11.674 1.00 0.00 C ATOM 2168 CD GLN A 143 -3.020 2.876 -11.553 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -3.042 4.078 -11.293 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.122 2.267 -12.066 1.00 0.00 N ATOM 0 H GLN A 143 1.660 3.736 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.914 4.022 -9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.275 3.472 -12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 143 0.368 1.927 -11.616 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -1.757 1.589 -12.679 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.878 1.177 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.100 1.270 -12.281 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.970 2.807 -12.236 1.00 0.00 H new ATOM 2179 N MET A 144 0.527 1.170 -8.938 1.00 0.00 N ATOM 2180 CA MET A 144 0.538 0.207 -7.880 1.00 0.00 C ATOM 2181 C MET A 144 0.399 0.753 -6.501 1.00 0.00 C ATOM 2182 O MET A 144 -0.460 0.222 -5.797 1.00 0.00 O ATOM 2183 CB MET A 144 1.901 -0.505 -7.881 1.00 0.00 C ATOM 2184 CG MET A 144 1.934 -1.770 -7.021 1.00 0.00 C ATOM 2185 SD MET A 144 3.483 -2.694 -6.795 1.00 0.00 S ATOM 2186 CE MET A 144 4.235 -1.462 -5.693 1.00 0.00 C ATOM 0 H MET A 144 1.312 1.087 -9.584 1.00 0.00 H new ATOM 0 HA MET A 144 -0.325 -0.427 -8.084 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.164 -0.766 -8.906 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.663 0.187 -7.523 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.577 -1.494 -6.029 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.205 -2.463 -7.441 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.109 -1.026 -6.177 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.511 -0.677 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.538 -1.943 -4.763 1.00 0.00 H new ATOM 2196 N MET A 145 1.022 1.894 -6.156 1.00 0.00 N ATOM 2197 CA MET A 145 1.018 2.513 -4.867 1.00 0.00 C ATOM 2198 C MET A 145 -0.162 3.405 -4.687 1.00 0.00 C ATOM 2199 O MET A 145 -0.480 3.822 -3.575 1.00 0.00 O ATOM 2200 CB MET A 145 2.279 3.355 -4.608 1.00 0.00 C ATOM 2201 CG MET A 145 3.507 2.460 -4.431 1.00 0.00 C ATOM 2202 SD MET A 145 3.708 1.882 -2.719 1.00 0.00 S ATOM 2203 CE MET A 145 3.971 3.439 -1.823 1.00 0.00 C ATOM 0 H MET A 145 1.571 2.424 -6.833 1.00 0.00 H new ATOM 0 HA MET A 145 0.982 1.686 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.441 4.040 -5.440 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.137 3.965 -3.716 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.423 1.599 -5.094 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.399 3.009 -4.733 1.00 0.00 H new ATOM 0 HE1 MET A 145 4.559 3.247 -0.925 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.505 4.142 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.008 3.864 -1.542 1.00 0.00 H new