USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 68 SER OG : rot 180:sc= 0.00993 USER MOD Set 1.2: A 71 SER OG : rot 109:sc= 0.744 USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= -0.116 F(o=-2.1,f=-0.58) USER MOD Set 2.2: A 3 HIS : no HD1:sc= -0.465 X(o=-0.58,f=-0.79) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.291 (180deg=-1.43!) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.0498 (180deg=-0.526) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.94! C(o=-2.9!,f=-4.3!) USER MOD Single : A 33 ASN :FLIP amide:sc= -3.8! C(o=-7.4!,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0357) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -3.5 K(o=-3.5,f=-6.8!) USER MOD Single : A 80 THR OG1 : rot -22:sc= 0.439 USER MOD Single : A 81 THR OG1 : rot 150:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.968 (180deg=-2.82!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.249 14.606 1.319 1.00 0.00 N ATOM 2 CA MET A 1 -0.054 14.560 0.598 1.00 0.00 C ATOM 3 C MET A 1 -1.187 14.378 1.611 1.00 0.00 C ATOM 4 O MET A 1 -1.179 14.960 2.677 1.00 0.00 O ATOM 5 CB MET A 1 -0.055 13.383 -0.381 1.00 0.00 C ATOM 6 CG MET A 1 1.152 13.488 -1.315 1.00 0.00 C ATOM 7 SD MET A 1 1.125 15.086 -2.165 1.00 0.00 S ATOM 8 CE MET A 1 -0.443 14.852 -3.037 1.00 0.00 C ATOM 0 H1 MET A 1 1.901 15.242 0.817 1.00 0.00 H new ATOM 0 H2 MET A 1 1.098 14.958 2.286 1.00 0.00 H new ATOM 0 H3 MET A 1 1.658 13.651 1.358 1.00 0.00 H new ATOM 0 HA MET A 1 -0.199 15.490 0.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.022 12.441 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.977 13.381 -0.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.075 13.383 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.133 12.677 -2.043 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.472 15.500 -3.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.533 13.812 -3.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.270 15.103 -2.372 1.00 0.00 H new ATOM 20 N GLN A 2 -2.160 13.570 1.285 1.00 0.00 N ATOM 21 CA GLN A 2 -3.290 13.348 2.231 1.00 0.00 C ATOM 22 C GLN A 2 -3.060 12.041 2.993 1.00 0.00 C ATOM 23 O GLN A 2 -2.974 10.979 2.410 1.00 0.00 O ATOM 24 CB GLN A 2 -4.599 13.257 1.443 1.00 0.00 C ATOM 25 CG GLN A 2 -5.778 13.163 2.414 1.00 0.00 C ATOM 26 CD GLN A 2 -5.993 14.519 3.088 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.822 14.628 4.376 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -6.321 15.491 2.435 1.00 0.00 N flip ATOM 0 H GLN A 2 -2.221 13.055 0.406 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.348 14.176 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.711 14.132 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.582 12.384 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.680 12.863 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.584 12.398 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.455 15.407 1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.462 16.390 2.895 1.00 0.00 H new ATOM 37 N HIS A 3 -2.959 12.110 4.293 1.00 0.00 N ATOM 38 CA HIS A 3 -2.732 10.869 5.085 1.00 0.00 C ATOM 39 C HIS A 3 -1.616 10.053 4.432 1.00 0.00 C ATOM 40 O HIS A 3 -1.595 8.841 4.504 1.00 0.00 O ATOM 41 CB HIS A 3 -4.019 10.042 5.119 1.00 0.00 C ATOM 42 CG HIS A 3 -5.142 10.883 5.659 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.476 10.540 5.481 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.148 12.055 6.375 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.221 11.489 6.078 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.460 12.432 6.636 1.00 0.00 N ATOM 0 H HIS A 3 -3.024 12.969 4.839 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.445 11.131 6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.264 9.690 4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.880 9.159 5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.269 12.600 6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.301 11.487 6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.775 13.257 7.147 1.00 0.00 H new ATOM 55 N ALA A 4 -0.690 10.710 3.789 1.00 0.00 N ATOM 56 CA ALA A 4 0.423 9.976 3.124 1.00 0.00 C ATOM 57 C ALA A 4 1.233 9.209 4.171 1.00 0.00 C ATOM 58 O ALA A 4 1.717 8.124 3.919 1.00 0.00 O ATOM 59 CB ALA A 4 1.335 10.975 2.410 1.00 0.00 C ATOM 0 H ALA A 4 -0.656 11.725 3.695 1.00 0.00 H new ATOM 0 HA ALA A 4 0.010 9.273 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.150 10.440 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.761 11.521 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.745 11.677 3.136 1.00 0.00 H new ATOM 65 N SER A 5 1.390 9.764 5.340 1.00 0.00 N ATOM 66 CA SER A 5 2.175 9.063 6.394 1.00 0.00 C ATOM 67 C SER A 5 1.529 7.714 6.712 1.00 0.00 C ATOM 68 O SER A 5 2.206 6.729 6.932 1.00 0.00 O ATOM 69 CB SER A 5 2.213 9.922 7.659 1.00 0.00 C ATOM 70 OG SER A 5 2.713 11.212 7.336 1.00 0.00 O ATOM 0 H SER A 5 1.010 10.671 5.611 1.00 0.00 H new ATOM 0 HA SER A 5 3.191 8.898 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.214 10.003 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.845 9.452 8.412 1.00 0.00 H new ATOM 0 HG SER A 5 2.737 11.765 8.144 1.00 0.00 H new ATOM 76 N VAL A 6 0.228 7.657 6.734 1.00 0.00 N ATOM 77 CA VAL A 6 -0.452 6.366 7.034 1.00 0.00 C ATOM 78 C VAL A 6 -0.133 5.363 5.929 1.00 0.00 C ATOM 79 O VAL A 6 0.109 4.200 6.180 1.00 0.00 O ATOM 80 CB VAL A 6 -1.961 6.580 7.106 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.666 5.226 7.214 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.299 7.429 8.333 1.00 0.00 C ATOM 0 H VAL A 6 -0.394 8.446 6.558 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.099 5.985 7.992 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.297 7.093 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.744 5.380 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.427 4.621 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.330 4.711 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.377 7.582 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.962 6.917 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.799 8.395 8.256 1.00 0.00 H new ATOM 92 N ILE A 7 -0.135 5.805 4.705 1.00 0.00 N ATOM 93 CA ILE A 7 0.163 4.884 3.576 1.00 0.00 C ATOM 94 C ILE A 7 1.560 4.286 3.752 1.00 0.00 C ATOM 95 O ILE A 7 1.767 3.104 3.561 1.00 0.00 O ATOM 96 CB ILE A 7 0.098 5.665 2.265 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.311 6.236 2.093 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.420 4.733 1.096 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.342 7.164 0.879 1.00 0.00 C ATOM 0 H ILE A 7 -0.331 6.769 4.436 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.569 4.076 3.559 1.00 0.00 H new ATOM 0 HB ILE A 7 0.824 6.478 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.029 5.426 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.605 6.783 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.373 5.292 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.422 4.322 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.305 3.919 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.346 7.570 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.636 7.981 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.066 6.604 -0.014 1.00 0.00 H new ATOM 111 N ALA A 8 2.519 5.089 4.120 1.00 0.00 N ATOM 112 CA ALA A 8 3.897 4.557 4.311 1.00 0.00 C ATOM 113 C ALA A 8 3.888 3.540 5.449 1.00 0.00 C ATOM 114 O ALA A 8 4.417 2.452 5.332 1.00 0.00 O ATOM 115 CB ALA A 8 4.846 5.706 4.659 1.00 0.00 C ATOM 0 H ALA A 8 2.409 6.088 4.296 1.00 0.00 H new ATOM 0 HA ALA A 8 4.235 4.077 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.854 5.316 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.848 6.435 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.513 6.187 5.578 1.00 0.00 H new ATOM 121 N GLN A 9 3.284 3.885 6.550 1.00 0.00 N ATOM 122 CA GLN A 9 3.228 2.941 7.698 1.00 0.00 C ATOM 123 C GLN A 9 2.307 1.767 7.353 1.00 0.00 C ATOM 124 O GLN A 9 2.515 0.655 7.792 1.00 0.00 O ATOM 125 CB GLN A 9 2.736 3.686 8.953 1.00 0.00 C ATOM 126 CG GLN A 9 1.247 3.424 9.201 1.00 0.00 C ATOM 127 CD GLN A 9 1.055 2.033 9.811 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.838 1.605 10.636 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.037 1.306 9.437 1.00 0.00 N ATOM 0 H GLN A 9 2.825 4.783 6.705 1.00 0.00 H new ATOM 0 HA GLN A 9 4.222 2.545 7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.314 3.366 9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.905 4.756 8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.842 4.183 9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.695 3.499 8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.620 1.666 8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.102 0.378 9.837 1.00 0.00 H new ATOM 138 N PHE A 10 1.282 2.008 6.583 1.00 0.00 N ATOM 139 CA PHE A 10 0.338 0.911 6.227 1.00 0.00 C ATOM 140 C PHE A 10 1.081 -0.208 5.494 1.00 0.00 C ATOM 141 O PHE A 10 1.016 -1.358 5.873 1.00 0.00 O ATOM 142 CB PHE A 10 -0.749 1.486 5.313 1.00 0.00 C ATOM 143 CG PHE A 10 -1.834 0.466 5.076 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.944 0.418 5.928 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.741 -0.422 3.998 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.960 -0.516 5.702 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.757 -1.359 3.774 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.866 -1.405 4.626 1.00 0.00 C ATOM 0 H PHE A 10 1.057 2.919 6.184 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.106 0.499 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.176 2.381 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.311 1.787 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.016 1.103 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.886 -0.384 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.817 -0.551 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.685 -2.046 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.650 -2.127 4.453 1.00 0.00 H new ATOM 158 N VAL A 11 1.791 0.119 4.451 1.00 0.00 N ATOM 159 CA VAL A 11 2.538 -0.929 3.704 1.00 0.00 C ATOM 160 C VAL A 11 3.774 -1.365 4.498 1.00 0.00 C ATOM 161 O VAL A 11 4.111 -2.531 4.550 1.00 0.00 O ATOM 162 CB VAL A 11 2.963 -0.372 2.344 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.722 0.007 1.536 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.834 0.869 2.545 1.00 0.00 C ATOM 0 H VAL A 11 1.886 1.066 4.084 1.00 0.00 H new ATOM 0 HA VAL A 11 1.894 -1.796 3.559 1.00 0.00 H new ATOM 0 HB VAL A 11 3.531 -1.131 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.026 0.404 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.101 -0.876 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.153 0.764 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.135 1.263 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.267 1.628 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.721 0.602 3.119 1.00 0.00 H new ATOM 174 N VAL A 12 4.458 -0.432 5.105 1.00 0.00 N ATOM 175 CA VAL A 12 5.682 -0.780 5.882 1.00 0.00 C ATOM 176 C VAL A 12 5.324 -1.656 7.088 1.00 0.00 C ATOM 177 O VAL A 12 6.068 -2.539 7.463 1.00 0.00 O ATOM 178 CB VAL A 12 6.358 0.505 6.363 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.614 0.159 7.165 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.747 1.360 5.157 1.00 0.00 C ATOM 0 H VAL A 12 4.220 0.560 5.096 1.00 0.00 H new ATOM 0 HA VAL A 12 6.362 -1.337 5.238 1.00 0.00 H new ATOM 0 HB VAL A 12 5.665 1.059 6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.093 1.077 7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.339 -0.449 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.306 -0.398 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.229 2.276 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.437 0.803 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.853 1.612 4.586 1.00 0.00 H new ATOM 190 N GLU A 13 4.202 -1.412 7.708 1.00 0.00 N ATOM 191 CA GLU A 13 3.818 -2.224 8.898 1.00 0.00 C ATOM 192 C GLU A 13 3.790 -3.706 8.530 1.00 0.00 C ATOM 193 O GLU A 13 4.106 -4.561 9.333 1.00 0.00 O ATOM 194 CB GLU A 13 2.436 -1.798 9.391 1.00 0.00 C ATOM 195 CG GLU A 13 2.090 -2.561 10.668 1.00 0.00 C ATOM 196 CD GLU A 13 0.667 -2.208 11.106 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.030 -1.434 10.410 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.239 -2.718 12.128 1.00 0.00 O ATOM 0 H GLU A 13 3.535 -0.687 7.443 1.00 0.00 H new ATOM 0 HA GLU A 13 4.551 -2.062 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.422 -0.725 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.688 -1.996 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.173 -3.634 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.798 -2.309 11.458 1.00 0.00 H new ATOM 205 N GLU A 14 3.414 -4.018 7.324 1.00 0.00 N ATOM 206 CA GLU A 14 3.366 -5.448 6.913 1.00 0.00 C ATOM 207 C GLU A 14 4.781 -6.034 6.901 1.00 0.00 C ATOM 208 O GLU A 14 4.979 -7.202 7.168 1.00 0.00 O ATOM 209 CB GLU A 14 2.754 -5.558 5.516 1.00 0.00 C ATOM 210 CG GLU A 14 2.600 -7.033 5.150 1.00 0.00 C ATOM 211 CD GLU A 14 2.070 -7.156 3.721 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.888 -8.275 3.270 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.853 -6.128 3.102 1.00 0.00 O ATOM 0 H GLU A 14 3.138 -3.348 6.606 1.00 0.00 H new ATOM 0 HA GLU A 14 2.754 -6.005 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.784 -5.061 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.389 -5.054 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.560 -7.542 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.917 -7.521 5.845 1.00 0.00 H new ATOM 220 N PHE A 15 5.766 -5.236 6.592 1.00 0.00 N ATOM 221 CA PHE A 15 7.165 -5.754 6.563 1.00 0.00 C ATOM 222 C PHE A 15 8.114 -4.731 7.196 1.00 0.00 C ATOM 223 O PHE A 15 9.166 -4.439 6.662 1.00 0.00 O ATOM 224 CB PHE A 15 7.588 -6.003 5.113 1.00 0.00 C ATOM 225 CG PHE A 15 7.082 -4.877 4.243 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.836 -4.988 3.619 1.00 0.00 C ATOM 227 CD2 PHE A 15 7.853 -3.721 4.068 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.358 -3.945 2.819 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.376 -2.677 3.267 1.00 0.00 C ATOM 230 CZ PHE A 15 6.128 -2.789 2.642 1.00 0.00 C ATOM 0 H PHE A 15 5.664 -4.248 6.358 1.00 0.00 H new ATOM 0 HA PHE A 15 7.211 -6.686 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.674 -6.070 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.188 -6.955 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.242 -5.880 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.815 -3.635 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.395 -4.031 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.970 -1.785 3.131 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.759 -1.984 2.024 1.00 0.00 H new ATOM 240 N LEU A 16 7.759 -4.181 8.326 1.00 0.00 N ATOM 241 CA LEU A 16 8.653 -3.180 8.969 1.00 0.00 C ATOM 242 C LEU A 16 9.780 -3.895 9.727 1.00 0.00 C ATOM 243 O LEU A 16 9.541 -4.847 10.443 1.00 0.00 O ATOM 244 CB LEU A 16 7.838 -2.294 9.934 1.00 0.00 C ATOM 245 CG LEU A 16 7.904 -2.800 11.388 1.00 0.00 C ATOM 246 CD1 LEU A 16 7.079 -1.865 12.275 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.322 -4.214 11.492 1.00 0.00 C ATOM 0 H LEU A 16 6.894 -4.381 8.828 1.00 0.00 H new ATOM 0 HA LEU A 16 9.095 -2.548 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.213 -1.272 9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.798 -2.266 9.608 1.00 0.00 H new ATOM 0 HG LEU A 16 8.946 -2.818 11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.119 -2.214 13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.486 -0.856 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.044 -1.859 11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.377 -4.555 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.281 -4.204 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.893 -4.890 10.856 1.00 0.00 H new ATOM 259 N PRO A 17 11.000 -3.430 9.598 1.00 0.00 N ATOM 260 CA PRO A 17 12.156 -4.031 10.318 1.00 0.00 C ATOM 261 C PRO A 17 12.161 -3.581 11.783 1.00 0.00 C ATOM 262 O PRO A 17 11.125 -3.301 12.352 1.00 0.00 O ATOM 263 CB PRO A 17 13.366 -3.473 9.563 1.00 0.00 C ATOM 264 CG PRO A 17 12.915 -2.151 9.048 1.00 0.00 C ATOM 265 CD PRO A 17 11.424 -2.289 8.759 1.00 0.00 C ATOM 0 HA PRO A 17 12.139 -5.121 10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.229 -3.368 10.221 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.664 -4.134 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.098 -1.365 9.781 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.462 -1.878 8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.882 -1.380 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.239 -2.480 7.702 1.00 0.00 H new ATOM 273 N ASP A 18 13.304 -3.489 12.397 1.00 0.00 N ATOM 274 CA ASP A 18 13.345 -3.038 13.809 1.00 0.00 C ATOM 275 C ASP A 18 13.221 -1.513 13.841 1.00 0.00 C ATOM 276 O ASP A 18 13.448 -0.880 14.852 1.00 0.00 O ATOM 277 CB ASP A 18 14.673 -3.466 14.437 1.00 0.00 C ATOM 278 CG ASP A 18 15.835 -2.773 13.718 1.00 0.00 C ATOM 279 OD1 ASP A 18 16.965 -3.174 13.942 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.576 -1.859 12.953 1.00 0.00 O ATOM 0 H ASP A 18 14.210 -3.707 11.982 1.00 0.00 H new ATOM 0 HA ASP A 18 12.525 -3.484 14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.684 -3.209 15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.785 -4.548 14.370 1.00 0.00 H new ATOM 285 N VAL A 19 12.865 -0.922 12.728 1.00 0.00 N ATOM 286 CA VAL A 19 12.730 0.562 12.669 1.00 0.00 C ATOM 287 C VAL A 19 11.265 0.941 12.444 1.00 0.00 C ATOM 288 O VAL A 19 10.582 0.354 11.626 1.00 0.00 O ATOM 289 CB VAL A 19 13.562 1.098 11.504 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.564 2.627 11.536 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.998 0.581 11.623 1.00 0.00 C ATOM 0 H VAL A 19 12.662 -1.408 11.855 1.00 0.00 H new ATOM 0 HA VAL A 19 13.079 0.991 13.609 1.00 0.00 H new ATOM 0 HB VAL A 19 13.130 0.758 10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.158 3.008 10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.541 2.994 11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.995 2.971 12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.592 0.963 10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.430 0.920 12.564 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.996 -0.509 11.597 1.00 0.00 H new ATOM 301 N ALA A 20 10.778 1.925 13.148 1.00 0.00 N ATOM 302 CA ALA A 20 9.363 2.343 12.956 1.00 0.00 C ATOM 303 C ALA A 20 9.238 3.058 11.598 1.00 0.00 C ATOM 304 O ALA A 20 10.102 3.830 11.233 1.00 0.00 O ATOM 305 CB ALA A 20 8.961 3.308 14.075 1.00 0.00 C ATOM 0 H ALA A 20 11.298 2.456 13.846 1.00 0.00 H new ATOM 0 HA ALA A 20 8.711 1.470 12.980 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.924 3.615 13.936 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.066 2.811 15.039 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.606 4.186 14.048 1.00 0.00 H new ATOM 311 N PRO A 21 8.181 2.821 10.851 1.00 0.00 N ATOM 312 CA PRO A 21 7.991 3.485 9.527 1.00 0.00 C ATOM 313 C PRO A 21 8.217 4.997 9.607 1.00 0.00 C ATOM 314 O PRO A 21 8.667 5.619 8.666 1.00 0.00 O ATOM 315 CB PRO A 21 6.534 3.194 9.169 1.00 0.00 C ATOM 316 CG PRO A 21 6.158 1.973 9.940 1.00 0.00 C ATOM 317 CD PRO A 21 7.068 1.908 11.168 1.00 0.00 C ATOM 0 HA PRO A 21 8.702 3.115 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.892 4.035 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.421 3.029 8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.111 2.016 10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.277 1.080 9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.541 2.222 12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.425 0.893 11.344 1.00 0.00 H new ATOM 325 N ALA A 22 7.909 5.590 10.725 1.00 0.00 N ATOM 326 CA ALA A 22 8.110 7.059 10.871 1.00 0.00 C ATOM 327 C ALA A 22 9.606 7.374 10.825 1.00 0.00 C ATOM 328 O ALA A 22 10.013 8.456 10.453 1.00 0.00 O ATOM 329 CB ALA A 22 7.532 7.517 12.211 1.00 0.00 C ATOM 0 H ALA A 22 7.526 5.121 11.546 1.00 0.00 H new ATOM 0 HA ALA A 22 7.605 7.581 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.677 8.592 12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.467 7.289 12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.040 6.997 13.023 1.00 0.00 H new ATOM 335 N ASP A 23 10.426 6.433 11.204 1.00 0.00 N ATOM 336 CA ASP A 23 11.897 6.667 11.187 1.00 0.00 C ATOM 337 C ASP A 23 12.505 5.960 9.978 1.00 0.00 C ATOM 338 O ASP A 23 13.707 5.940 9.794 1.00 0.00 O ATOM 339 CB ASP A 23 12.518 6.112 12.470 1.00 0.00 C ATOM 340 CG ASP A 23 12.033 6.931 13.668 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.465 7.987 13.448 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.236 6.487 14.786 1.00 0.00 O ATOM 0 H ASP A 23 10.139 5.509 11.526 1.00 0.00 H new ATOM 0 HA ASP A 23 12.096 7.737 11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.243 5.065 12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.605 6.150 12.406 1.00 0.00 H new ATOM 347 N VAL A 24 11.683 5.385 9.147 1.00 0.00 N ATOM 348 CA VAL A 24 12.206 4.683 7.945 1.00 0.00 C ATOM 349 C VAL A 24 12.070 5.609 6.740 1.00 0.00 C ATOM 350 O VAL A 24 11.124 6.366 6.632 1.00 0.00 O ATOM 351 CB VAL A 24 11.411 3.394 7.712 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.287 3.646 6.702 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.347 2.312 7.169 1.00 0.00 C ATOM 0 H VAL A 24 10.668 5.371 9.249 1.00 0.00 H new ATOM 0 HA VAL A 24 13.255 4.423 8.091 1.00 0.00 H new ATOM 0 HB VAL A 24 10.976 3.067 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.727 2.724 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.617 4.415 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.715 3.978 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.784 1.394 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.782 2.647 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.143 2.124 7.890 1.00 0.00 H new ATOM 363 N ASP A 25 13.006 5.572 5.837 1.00 0.00 N ATOM 364 CA ASP A 25 12.918 6.466 4.654 1.00 0.00 C ATOM 365 C ASP A 25 11.807 5.972 3.727 1.00 0.00 C ATOM 366 O ASP A 25 12.014 5.106 2.900 1.00 0.00 O ATOM 367 CB ASP A 25 14.252 6.456 3.906 1.00 0.00 C ATOM 368 CG ASP A 25 14.224 7.511 2.798 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.156 7.541 2.011 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.270 8.272 2.757 1.00 0.00 O ATOM 0 H ASP A 25 13.825 4.964 5.867 1.00 0.00 H new ATOM 0 HA ASP A 25 12.695 7.482 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.070 6.661 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.434 5.470 3.479 1.00 0.00 H new ATOM 375 N VAL A 26 10.629 6.519 3.857 1.00 0.00 N ATOM 376 CA VAL A 26 9.503 6.083 2.982 1.00 0.00 C ATOM 377 C VAL A 26 9.842 6.386 1.520 1.00 0.00 C ATOM 378 O VAL A 26 9.024 6.221 0.636 1.00 0.00 O ATOM 379 CB VAL A 26 8.231 6.836 3.375 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.947 6.616 4.863 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.422 8.331 3.111 1.00 0.00 C ATOM 0 H VAL A 26 10.397 7.249 4.531 1.00 0.00 H new ATOM 0 HA VAL A 26 9.345 5.011 3.103 1.00 0.00 H new ATOM 0 HB VAL A 26 7.393 6.465 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.041 7.152 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.812 5.551 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.785 6.987 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.516 8.869 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.260 8.701 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.626 8.490 2.052 1.00 0.00 H new ATOM 391 N ASP A 27 11.044 6.822 1.256 1.00 0.00 N ATOM 392 CA ASP A 27 11.436 7.126 -0.150 1.00 0.00 C ATOM 393 C ASP A 27 12.042 5.871 -0.781 1.00 0.00 C ATOM 394 O ASP A 27 12.638 5.921 -1.839 1.00 0.00 O ATOM 395 CB ASP A 27 12.469 8.255 -0.163 1.00 0.00 C ATOM 396 CG ASP A 27 11.821 9.545 0.345 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.553 10.477 0.635 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.605 9.579 0.434 1.00 0.00 O ATOM 0 H ASP A 27 11.771 6.981 1.953 1.00 0.00 H new ATOM 0 HA ASP A 27 10.558 7.437 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.320 7.991 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.851 8.401 -1.173 1.00 0.00 H new ATOM 403 N LEU A 28 11.898 4.748 -0.134 1.00 0.00 N ATOM 404 CA LEU A 28 12.468 3.486 -0.685 1.00 0.00 C ATOM 405 C LEU A 28 11.488 2.878 -1.681 1.00 0.00 C ATOM 406 O LEU A 28 10.304 2.777 -1.425 1.00 0.00 O ATOM 407 CB LEU A 28 12.710 2.496 0.454 1.00 0.00 C ATOM 408 CG LEU A 28 13.418 1.250 -0.088 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.851 1.604 -0.500 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.454 0.174 1.000 1.00 0.00 C ATOM 0 H LEU A 28 11.409 4.649 0.755 1.00 0.00 H new ATOM 0 HA LEU A 28 13.411 3.703 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.316 2.962 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.762 2.217 0.914 1.00 0.00 H new ATOM 0 HG LEU A 28 12.876 0.877 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.349 0.714 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.828 2.370 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.396 1.980 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.957 -0.714 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.995 0.552 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.436 -0.083 1.291 1.00 0.00 H new ATOM 422 N ASP A 29 11.972 2.464 -2.818 1.00 0.00 N ATOM 423 CA ASP A 29 11.067 1.860 -3.826 1.00 0.00 C ATOM 424 C ASP A 29 10.507 0.555 -3.266 1.00 0.00 C ATOM 425 O ASP A 29 11.241 -0.341 -2.900 1.00 0.00 O ATOM 426 CB ASP A 29 11.846 1.576 -5.112 1.00 0.00 C ATOM 427 CG ASP A 29 12.286 2.898 -5.745 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.785 3.928 -5.326 1.00 0.00 O ATOM 429 OD2 ASP A 29 13.119 2.857 -6.637 1.00 0.00 O ATOM 0 H ASP A 29 12.954 2.519 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 29 10.251 2.547 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.717 0.958 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.224 1.015 -5.810 1.00 0.00 H new ATOM 434 N LEU A 30 9.212 0.444 -3.183 1.00 0.00 N ATOM 435 CA LEU A 30 8.609 -0.799 -2.633 1.00 0.00 C ATOM 436 C LEU A 30 8.926 -1.976 -3.557 1.00 0.00 C ATOM 437 O LEU A 30 8.621 -3.112 -3.251 1.00 0.00 O ATOM 438 CB LEU A 30 7.090 -0.638 -2.524 1.00 0.00 C ATOM 439 CG LEU A 30 6.757 0.576 -1.654 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.241 0.671 -1.478 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.418 0.418 -0.282 1.00 0.00 C ATOM 0 H LEU A 30 8.546 1.160 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 30 9.025 -0.987 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.656 -0.515 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.650 -1.537 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 30 7.128 1.481 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.000 1.535 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.768 0.781 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.873 -0.235 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.181 1.283 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.046 -0.486 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.499 0.345 -0.405 1.00 0.00 H new ATOM 453 N VAL A 31 9.525 -1.721 -4.688 1.00 0.00 N ATOM 454 CA VAL A 31 9.840 -2.841 -5.618 1.00 0.00 C ATOM 455 C VAL A 31 10.568 -3.935 -4.845 1.00 0.00 C ATOM 456 O VAL A 31 10.253 -5.103 -4.957 1.00 0.00 O ATOM 457 CB VAL A 31 10.738 -2.339 -6.750 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.181 -3.521 -7.613 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.969 -1.337 -7.610 1.00 0.00 C ATOM 0 H VAL A 31 9.808 -0.794 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 31 8.916 -3.234 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 31 11.615 -1.851 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.821 -3.163 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.734 -4.232 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.304 -4.011 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.611 -0.981 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.089 -1.821 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.657 -0.493 -6.995 1.00 0.00 H new ATOM 469 N ASP A 32 11.522 -3.567 -4.040 1.00 0.00 N ATOM 470 CA ASP A 32 12.244 -4.592 -3.240 1.00 0.00 C ATOM 471 C ASP A 32 11.205 -5.349 -2.419 1.00 0.00 C ATOM 472 O ASP A 32 11.295 -6.543 -2.213 1.00 0.00 O ATOM 473 CB ASP A 32 13.247 -3.909 -2.306 1.00 0.00 C ATOM 474 CG ASP A 32 14.362 -3.268 -3.136 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.121 -2.496 -2.574 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.435 -3.559 -4.318 1.00 0.00 O ATOM 0 H ASP A 32 11.832 -2.605 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 32 12.790 -5.274 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.744 -3.151 -1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.668 -4.637 -1.612 1.00 0.00 H new ATOM 481 N ASN A 33 10.202 -4.646 -1.970 1.00 0.00 N ATOM 482 CA ASN A 33 9.119 -5.284 -1.180 1.00 0.00 C ATOM 483 C ASN A 33 8.082 -5.846 -2.151 1.00 0.00 C ATOM 484 O ASN A 33 6.968 -6.157 -1.780 1.00 0.00 O ATOM 485 CB ASN A 33 8.466 -4.241 -0.275 1.00 0.00 C ATOM 486 CG ASN A 33 9.516 -3.660 0.672 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.751 -4.072 0.590 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 9.211 -2.820 1.496 1.00 0.00 N flip ATOM 0 H ASN A 33 10.088 -3.644 -2.121 1.00 0.00 H new ATOM 0 HA ASN A 33 9.524 -6.085 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.024 -3.447 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.657 -4.695 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.246 -2.497 1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.920 -2.438 2.122 1.00 0.00 H new ATOM 495 N GLY A 34 8.444 -5.958 -3.404 1.00 0.00 N ATOM 496 CA GLY A 34 7.493 -6.480 -4.426 1.00 0.00 C ATOM 497 C GLY A 34 6.724 -7.670 -3.857 1.00 0.00 C ATOM 498 O GLY A 34 5.693 -8.055 -4.368 1.00 0.00 O ATOM 0 H GLY A 34 9.365 -5.708 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.798 -5.695 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.036 -6.781 -5.322 1.00 0.00 H new ATOM 502 N VAL A 35 7.200 -8.251 -2.794 1.00 0.00 N ATOM 503 CA VAL A 35 6.470 -9.399 -2.200 1.00 0.00 C ATOM 504 C VAL A 35 5.014 -8.984 -1.990 1.00 0.00 C ATOM 505 O VAL A 35 4.098 -9.760 -2.179 1.00 0.00 O ATOM 506 CB VAL A 35 7.099 -9.760 -0.852 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.194 -10.745 -0.110 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.468 -10.405 -1.084 1.00 0.00 C ATOM 0 H VAL A 35 8.059 -7.982 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 35 6.523 -10.264 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 35 7.217 -8.855 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.644 -11.001 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.219 -10.288 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.074 -11.649 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.916 -10.662 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.348 -11.308 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.116 -9.704 -1.611 1.00 0.00 H new ATOM 518 N ILE A 36 4.800 -7.758 -1.596 1.00 0.00 N ATOM 519 CA ILE A 36 3.411 -7.271 -1.365 1.00 0.00 C ATOM 520 C ILE A 36 2.677 -7.112 -2.694 1.00 0.00 C ATOM 521 O ILE A 36 1.468 -7.139 -2.749 1.00 0.00 O ATOM 522 CB ILE A 36 3.467 -5.901 -0.695 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.152 -5.641 0.039 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.667 -4.826 -1.765 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.169 -4.238 0.654 1.00 0.00 C ATOM 0 H ILE A 36 5.532 -7.069 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 36 2.889 -7.993 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 36 4.294 -5.874 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.314 -5.735 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.007 -6.388 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.708 -3.845 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.600 -5.011 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.836 -4.855 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.229 -4.058 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.996 -4.160 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.294 -3.496 -0.135 1.00 0.00 H new ATOM 537 N ASP A 37 3.396 -6.907 -3.757 1.00 0.00 N ATOM 538 CA ASP A 37 2.737 -6.701 -5.078 1.00 0.00 C ATOM 539 C ASP A 37 1.885 -7.913 -5.464 1.00 0.00 C ATOM 540 O ASP A 37 0.857 -7.770 -6.095 1.00 0.00 O ATOM 541 CB ASP A 37 3.801 -6.472 -6.154 1.00 0.00 C ATOM 542 CG ASP A 37 4.538 -5.162 -5.873 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.059 -4.400 -5.048 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.568 -4.940 -6.489 1.00 0.00 O ATOM 0 H ASP A 37 4.415 -6.873 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 37 2.088 -5.829 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.506 -7.303 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.335 -6.435 -7.139 1.00 0.00 H new ATOM 549 N SER A 38 2.312 -9.100 -5.130 1.00 0.00 N ATOM 550 CA SER A 38 1.522 -10.302 -5.523 1.00 0.00 C ATOM 551 C SER A 38 0.793 -10.914 -4.322 1.00 0.00 C ATOM 552 O SER A 38 -0.418 -10.972 -4.288 1.00 0.00 O ATOM 553 CB SER A 38 2.461 -11.342 -6.134 1.00 0.00 C ATOM 554 OG SER A 38 2.185 -11.462 -7.536 1.00 0.00 O ATOM 0 H SER A 38 3.167 -9.289 -4.606 1.00 0.00 H new ATOM 0 HA SER A 38 0.771 -9.995 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.499 -11.047 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.326 -12.305 -5.641 1.00 0.00 H new ATOM 559 N LEU A 39 1.517 -11.405 -3.356 1.00 0.00 N ATOM 560 CA LEU A 39 0.850 -12.050 -2.187 1.00 0.00 C ATOM 561 C LEU A 39 0.127 -11.018 -1.321 1.00 0.00 C ATOM 562 O LEU A 39 -1.036 -11.166 -1.004 1.00 0.00 O ATOM 563 CB LEU A 39 1.896 -12.775 -1.339 1.00 0.00 C ATOM 564 CG LEU A 39 2.275 -14.107 -1.998 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.134 -15.115 -1.827 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.540 -13.889 -3.489 1.00 0.00 C ATOM 0 H LEU A 39 2.536 -11.389 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 39 0.113 -12.759 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.782 -12.150 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.504 -12.954 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 39 3.175 -14.495 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.409 -16.059 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.949 -15.279 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.231 -14.725 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.809 -14.838 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.642 -13.494 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.358 -13.180 -3.613 1.00 0.00 H new ATOM 578 N GLY A 40 0.805 -9.983 -0.925 1.00 0.00 N ATOM 579 CA GLY A 40 0.153 -8.955 -0.066 1.00 0.00 C ATOM 580 C GLY A 40 -0.895 -8.184 -0.867 1.00 0.00 C ATOM 581 O GLY A 40 -1.931 -7.811 -0.355 1.00 0.00 O ATOM 0 H GLY A 40 1.782 -9.801 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.316 -9.434 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.903 -8.266 0.322 1.00 0.00 H new ATOM 585 N LEU A 41 -0.627 -7.930 -2.115 1.00 0.00 N ATOM 586 CA LEU A 41 -1.601 -7.169 -2.942 1.00 0.00 C ATOM 587 C LEU A 41 -2.937 -7.904 -2.964 1.00 0.00 C ATOM 588 O LEU A 41 -3.979 -7.322 -2.751 1.00 0.00 O ATOM 589 CB LEU A 41 -1.064 -7.059 -4.372 1.00 0.00 C ATOM 590 CG LEU A 41 -1.972 -6.156 -5.207 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.513 -4.707 -5.061 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.888 -6.570 -6.679 1.00 0.00 C ATOM 0 H LEU A 41 0.224 -8.216 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.741 -6.174 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.051 -6.656 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.007 -8.049 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.001 -6.251 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.158 -4.059 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.568 -4.412 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.485 -4.614 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.535 -5.927 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.859 -6.472 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.210 -7.606 -6.784 1.00 0.00 H new ATOM 604 N LEU A 42 -2.919 -9.177 -3.212 1.00 0.00 N ATOM 605 CA LEU A 42 -4.198 -9.934 -3.246 1.00 0.00 C ATOM 606 C LEU A 42 -4.879 -9.858 -1.883 1.00 0.00 C ATOM 607 O LEU A 42 -6.075 -9.667 -1.786 1.00 0.00 O ATOM 608 CB LEU A 42 -3.919 -11.395 -3.601 1.00 0.00 C ATOM 609 CG LEU A 42 -3.400 -11.489 -5.034 1.00 0.00 C ATOM 610 CD1 LEU A 42 -3.041 -12.941 -5.352 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.491 -11.017 -5.992 1.00 0.00 C ATOM 0 H LEU A 42 -2.079 -9.727 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.854 -9.498 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.186 -11.813 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.829 -11.985 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.514 -10.864 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.670 -13.009 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.269 -13.284 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.927 -13.567 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.127 -11.081 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.372 -11.648 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.753 -9.984 -5.764 1.00 0.00 H new ATOM 623 N LYS A 43 -4.132 -10.000 -0.826 1.00 0.00 N ATOM 624 CA LYS A 43 -4.745 -9.929 0.523 1.00 0.00 C ATOM 625 C LYS A 43 -5.324 -8.531 0.745 1.00 0.00 C ATOM 626 O LYS A 43 -6.381 -8.369 1.321 1.00 0.00 O ATOM 627 CB LYS A 43 -3.679 -10.217 1.576 1.00 0.00 C ATOM 628 CG LYS A 43 -3.184 -11.657 1.425 1.00 0.00 C ATOM 629 CD LYS A 43 -2.200 -11.980 2.550 1.00 0.00 C ATOM 630 CE LYS A 43 -1.609 -13.373 2.327 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.630 -14.406 2.661 1.00 0.00 N ATOM 0 H LYS A 43 -3.125 -10.162 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.543 -10.667 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.847 -9.522 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.089 -10.066 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.027 -12.347 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.701 -11.787 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.404 -11.236 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.707 -11.939 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.291 -13.483 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.723 -13.508 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.190 -15.348 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.012 -14.222 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.402 -14.369 1.965 1.00 0.00 H new ATOM 645 N VAL A 44 -4.632 -7.516 0.299 1.00 0.00 N ATOM 646 CA VAL A 44 -5.136 -6.125 0.491 1.00 0.00 C ATOM 647 C VAL A 44 -6.360 -5.871 -0.390 1.00 0.00 C ATOM 648 O VAL A 44 -7.372 -5.389 0.069 1.00 0.00 O ATOM 649 CB VAL A 44 -4.034 -5.134 0.122 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.594 -3.712 0.162 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.885 -5.259 1.124 1.00 0.00 C ATOM 0 H VAL A 44 -3.740 -7.590 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.422 -5.995 1.535 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.668 -5.351 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.808 -3.004 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.415 -3.624 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.959 -3.493 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.097 -4.553 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.251 -5.040 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.487 -6.273 1.097 1.00 0.00 H new ATOM 661 N ILE A 45 -6.280 -6.185 -1.650 1.00 0.00 N ATOM 662 CA ILE A 45 -7.443 -5.947 -2.543 1.00 0.00 C ATOM 663 C ILE A 45 -8.639 -6.780 -2.076 1.00 0.00 C ATOM 664 O ILE A 45 -9.764 -6.321 -2.089 1.00 0.00 O ATOM 665 CB ILE A 45 -7.071 -6.339 -3.977 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.897 -5.484 -4.478 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.275 -6.122 -4.883 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.209 -3.998 -4.305 1.00 0.00 C ATOM 0 H ILE A 45 -5.461 -6.595 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.712 -4.891 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.775 -7.388 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.992 -5.739 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.702 -5.702 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.016 -6.399 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.105 -6.739 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.567 -5.072 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.368 -3.405 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.102 -3.745 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.380 -3.783 -3.250 1.00 0.00 H new ATOM 680 N ALA A 46 -8.414 -7.998 -1.671 1.00 0.00 N ATOM 681 CA ALA A 46 -9.553 -8.845 -1.215 1.00 0.00 C ATOM 682 C ALA A 46 -10.140 -8.281 0.081 1.00 0.00 C ATOM 683 O ALA A 46 -11.341 -8.154 0.227 1.00 0.00 O ATOM 684 CB ALA A 46 -9.050 -10.267 -0.966 1.00 0.00 C ATOM 0 H ALA A 46 -7.497 -8.443 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.327 -8.852 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.878 -10.893 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.637 -10.674 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.276 -10.250 -0.199 1.00 0.00 H new ATOM 690 N TRP A 47 -9.305 -7.933 1.022 1.00 0.00 N ATOM 691 CA TRP A 47 -9.821 -7.373 2.303 1.00 0.00 C ATOM 692 C TRP A 47 -10.220 -5.914 2.101 1.00 0.00 C ATOM 693 O TRP A 47 -11.278 -5.483 2.513 1.00 0.00 O ATOM 694 CB TRP A 47 -8.738 -7.469 3.374 1.00 0.00 C ATOM 695 CG TRP A 47 -8.863 -6.315 4.312 1.00 0.00 C ATOM 696 CD1 TRP A 47 -10.009 -5.894 4.895 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.815 -5.431 4.782 1.00 0.00 C ATOM 698 NE1 TRP A 47 -9.723 -4.800 5.695 1.00 0.00 N ATOM 699 CE2 TRP A 47 -8.381 -4.479 5.658 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.440 -5.371 4.529 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.601 -3.495 6.266 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.648 -4.385 5.138 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.227 -3.448 6.006 1.00 0.00 C ATOM 0 H TRP A 47 -8.290 -8.012 0.959 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.694 -7.942 2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.834 -8.407 3.920 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.752 -7.469 2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.984 -6.337 4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -10.418 -4.294 6.244 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.985 -6.088 3.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -8.054 -2.775 6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.588 -4.348 4.937 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.614 -2.692 6.473 1.00 0.00 H new ATOM 714 N LEU A 48 -9.373 -5.149 1.474 1.00 0.00 N ATOM 715 CA LEU A 48 -9.687 -3.716 1.245 1.00 0.00 C ATOM 716 C LEU A 48 -11.010 -3.599 0.486 1.00 0.00 C ATOM 717 O LEU A 48 -11.817 -2.733 0.757 1.00 0.00 O ATOM 718 CB LEU A 48 -8.567 -3.082 0.423 1.00 0.00 C ATOM 719 CG LEU A 48 -8.789 -1.579 0.323 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.572 -0.942 1.694 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.797 -0.988 -0.679 1.00 0.00 C ATOM 0 H LEU A 48 -8.472 -5.458 1.109 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.774 -3.201 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.602 -3.286 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.541 -3.522 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.807 -1.380 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.730 0.134 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.277 -1.367 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.553 -1.138 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.953 0.088 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.779 -1.185 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.951 -1.445 -1.656 1.00 0.00 H new ATOM 733 N GLU A 49 -11.244 -4.470 -0.461 1.00 0.00 N ATOM 734 CA GLU A 49 -12.521 -4.405 -1.226 1.00 0.00 C ATOM 735 C GLU A 49 -13.696 -4.610 -0.273 1.00 0.00 C ATOM 736 O GLU A 49 -14.696 -3.929 -0.355 1.00 0.00 O ATOM 737 CB GLU A 49 -12.534 -5.495 -2.296 1.00 0.00 C ATOM 738 CG GLU A 49 -13.981 -5.817 -2.675 1.00 0.00 C ATOM 739 CD GLU A 49 -14.559 -6.869 -1.721 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.766 -7.043 -1.728 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.788 -7.483 -1.000 1.00 0.00 O ATOM 0 H GLU A 49 -10.609 -5.219 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.607 -3.429 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.981 -5.164 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.036 -6.391 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.585 -4.910 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.023 -6.184 -3.700 1.00 0.00 H new ATOM 748 N ASP A 50 -13.590 -5.541 0.629 1.00 0.00 N ATOM 749 CA ASP A 50 -14.712 -5.775 1.578 1.00 0.00 C ATOM 750 C ASP A 50 -14.908 -4.539 2.461 1.00 0.00 C ATOM 751 O ASP A 50 -16.017 -4.159 2.782 1.00 0.00 O ATOM 752 CB ASP A 50 -14.386 -6.980 2.459 1.00 0.00 C ATOM 753 CG ASP A 50 -15.616 -7.356 3.288 1.00 0.00 C ATOM 754 OD1 ASP A 50 -16.459 -8.068 2.769 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.693 -6.925 4.426 1.00 0.00 O ATOM 0 H ASP A 50 -12.780 -6.148 0.751 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.626 -5.966 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.080 -7.824 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.549 -6.747 3.117 1.00 0.00 H new ATOM 760 N ARG A 51 -13.834 -3.926 2.875 1.00 0.00 N ATOM 761 CA ARG A 51 -13.941 -2.730 3.761 1.00 0.00 C ATOM 762 C ARG A 51 -14.594 -1.545 3.033 1.00 0.00 C ATOM 763 O ARG A 51 -15.446 -0.877 3.583 1.00 0.00 O ATOM 764 CB ARG A 51 -12.541 -2.330 4.228 1.00 0.00 C ATOM 765 CG ARG A 51 -12.647 -1.204 5.260 1.00 0.00 C ATOM 766 CD ARG A 51 -11.246 -0.808 5.728 1.00 0.00 C ATOM 767 NE ARG A 51 -11.354 0.223 6.798 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.298 0.564 7.486 1.00 0.00 C ATOM 769 NH1 ARG A 51 -10.393 1.468 8.422 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.148 0.001 7.237 1.00 0.00 N ATOM 0 H ARG A 51 -12.881 -4.203 2.637 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.570 -2.989 4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.032 -3.190 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.943 -2.003 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.153 -0.343 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.247 -1.530 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.715 -1.683 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.667 -0.419 4.890 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.253 0.663 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.292 1.908 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.568 1.734 8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.074 -0.705 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.323 0.267 7.774 1.00 0.00 H new ATOM 784 N PHE A 52 -14.192 -1.259 1.817 1.00 0.00 N ATOM 785 CA PHE A 52 -14.785 -0.097 1.090 1.00 0.00 C ATOM 786 C PHE A 52 -15.649 -0.563 -0.085 1.00 0.00 C ATOM 787 O PHE A 52 -16.244 0.237 -0.778 1.00 0.00 O ATOM 788 CB PHE A 52 -13.652 0.794 0.579 1.00 0.00 C ATOM 789 CG PHE A 52 -13.097 1.596 1.730 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.774 2.737 2.179 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.907 1.199 2.352 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.262 3.478 3.250 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.396 1.942 3.423 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.073 3.081 3.872 1.00 0.00 C ATOM 0 H PHE A 52 -13.482 -1.779 1.301 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.424 0.460 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.867 0.184 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.020 1.461 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.691 3.045 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.384 0.320 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.785 4.357 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.478 1.636 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.678 3.654 4.698 1.00 0.00 H new ATOM 804 N GLY A 53 -15.733 -1.842 -0.315 1.00 0.00 N ATOM 805 CA GLY A 53 -16.574 -2.333 -1.446 1.00 0.00 C ATOM 806 C GLY A 53 -15.911 -1.975 -2.779 1.00 0.00 C ATOM 807 O GLY A 53 -16.572 -1.614 -3.733 1.00 0.00 O ATOM 0 H GLY A 53 -15.260 -2.566 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.704 -3.413 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.568 -1.888 -1.392 1.00 0.00 H new ATOM 811 N ILE A 54 -14.611 -2.066 -2.855 1.00 0.00 N ATOM 812 CA ILE A 54 -13.915 -1.727 -4.130 1.00 0.00 C ATOM 813 C ILE A 54 -13.834 -2.976 -5.012 1.00 0.00 C ATOM 814 O ILE A 54 -13.702 -4.079 -4.526 1.00 0.00 O ATOM 815 CB ILE A 54 -12.506 -1.222 -3.818 1.00 0.00 C ATOM 816 CG1 ILE A 54 -12.601 -0.022 -2.874 1.00 0.00 C ATOM 817 CG2 ILE A 54 -11.817 -0.791 -5.112 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.205 0.346 -2.374 1.00 0.00 C ATOM 0 H ILE A 54 -14.002 -2.360 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 54 -14.469 -0.950 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.929 -2.019 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.049 0.826 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.250 -0.260 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.813 -0.431 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.754 -1.641 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.392 0.007 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.273 1.201 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.774 -0.502 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.570 0.601 -3.222 1.00 0.00 H new ATOM 830 N ALA A 55 -13.925 -2.818 -6.303 1.00 0.00 N ATOM 831 CA ALA A 55 -13.871 -4.010 -7.197 1.00 0.00 C ATOM 832 C ALA A 55 -12.520 -4.711 -7.041 1.00 0.00 C ATOM 833 O ALA A 55 -11.474 -4.124 -7.235 1.00 0.00 O ATOM 834 CB ALA A 55 -14.047 -3.564 -8.650 1.00 0.00 C ATOM 0 H ALA A 55 -14.034 -1.921 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.670 -4.701 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.008 -4.434 -9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.010 -3.067 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.248 -2.872 -8.918 1.00 0.00 H new ATOM 840 N ALA A 56 -12.541 -5.968 -6.691 1.00 0.00 N ATOM 841 CA ALA A 56 -11.270 -6.724 -6.518 1.00 0.00 C ATOM 842 C ALA A 56 -10.700 -7.099 -7.890 1.00 0.00 C ATOM 843 O ALA A 56 -9.533 -7.408 -8.024 1.00 0.00 O ATOM 844 CB ALA A 56 -11.539 -7.997 -5.715 1.00 0.00 C ATOM 0 H ALA A 56 -13.390 -6.506 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.551 -6.101 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.609 -8.551 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.940 -7.732 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.261 -8.617 -6.247 1.00 0.00 H new ATOM 850 N ASP A 57 -11.520 -7.089 -8.904 1.00 0.00 N ATOM 851 CA ASP A 57 -11.033 -7.460 -10.264 1.00 0.00 C ATOM 852 C ASP A 57 -10.349 -6.262 -10.924 1.00 0.00 C ATOM 853 O ASP A 57 -10.057 -6.278 -12.104 1.00 0.00 O ATOM 854 CB ASP A 57 -12.217 -7.903 -11.122 1.00 0.00 C ATOM 855 CG ASP A 57 -12.793 -9.206 -10.564 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.880 -9.574 -10.977 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.138 -9.813 -9.733 1.00 0.00 O ATOM 0 H ASP A 57 -12.508 -6.840 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.315 -8.275 -10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.984 -7.128 -11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.898 -8.047 -12.154 1.00 0.00 H new ATOM 862 N ASP A 58 -10.090 -5.221 -10.181 1.00 0.00 N ATOM 863 CA ASP A 58 -9.426 -4.031 -10.783 1.00 0.00 C ATOM 864 C ASP A 58 -7.923 -4.295 -10.914 1.00 0.00 C ATOM 865 O ASP A 58 -7.214 -4.396 -9.933 1.00 0.00 O ATOM 866 CB ASP A 58 -9.654 -2.813 -9.889 1.00 0.00 C ATOM 867 CG ASP A 58 -9.091 -1.565 -10.572 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.666 -1.678 -11.710 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.096 -0.518 -9.945 1.00 0.00 O ATOM 0 H ASP A 58 -10.308 -5.143 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.848 -3.841 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.719 -2.685 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.170 -2.962 -8.924 1.00 0.00 H new ATOM 874 N VAL A 59 -7.438 -4.405 -12.123 1.00 0.00 N ATOM 875 CA VAL A 59 -5.982 -4.661 -12.333 1.00 0.00 C ATOM 876 C VAL A 59 -5.361 -3.474 -13.071 1.00 0.00 C ATOM 877 O VAL A 59 -4.293 -3.572 -13.643 1.00 0.00 O ATOM 878 CB VAL A 59 -5.803 -5.930 -13.168 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.537 -7.092 -12.495 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.383 -5.704 -14.567 1.00 0.00 C ATOM 0 H VAL A 59 -7.990 -4.328 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.491 -4.789 -11.368 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.742 -6.167 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.409 -7.996 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.127 -7.253 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.598 -6.856 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.256 -6.607 -15.164 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.444 -5.468 -14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.862 -4.876 -15.047 1.00 0.00 H new ATOM 890 N GLU A 60 -6.025 -2.351 -13.067 1.00 0.00 N ATOM 891 CA GLU A 60 -5.483 -1.155 -13.772 1.00 0.00 C ATOM 892 C GLU A 60 -4.080 -0.837 -13.251 1.00 0.00 C ATOM 893 O GLU A 60 -3.260 -0.278 -13.953 1.00 0.00 O ATOM 894 CB GLU A 60 -6.401 0.043 -13.522 1.00 0.00 C ATOM 895 CG GLU A 60 -5.928 1.230 -14.352 1.00 0.00 C ATOM 896 CD GLU A 60 -6.780 2.457 -14.026 1.00 0.00 C ATOM 897 OE1 GLU A 60 -7.653 2.341 -13.181 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.546 3.494 -14.626 1.00 0.00 O ATOM 0 H GLU A 60 -6.923 -2.210 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.432 -1.361 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.428 -0.212 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.398 0.302 -12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.879 1.438 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.001 0.996 -15.414 1.00 0.00 H new ATOM 905 N LEU A 61 -3.796 -1.178 -12.024 1.00 0.00 N ATOM 906 CA LEU A 61 -2.447 -0.880 -11.466 1.00 0.00 C ATOM 907 C LEU A 61 -1.427 -1.889 -12.001 1.00 0.00 C ATOM 908 O LEU A 61 -1.716 -3.058 -12.159 1.00 0.00 O ATOM 909 CB LEU A 61 -2.496 -0.969 -9.938 1.00 0.00 C ATOM 910 CG LEU A 61 -3.576 -0.032 -9.404 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.569 -0.062 -7.875 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.298 1.395 -9.884 1.00 0.00 C ATOM 0 H LEU A 61 -4.437 -1.649 -11.386 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.150 0.125 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.705 -1.994 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.527 -0.701 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.550 -0.357 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.340 0.607 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.767 -1.077 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.595 0.262 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.069 2.064 -9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.324 1.719 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.303 1.420 -10.974 1.00 0.00 H new ATOM 924 N SER A 62 -0.235 -1.434 -12.281 1.00 0.00 N ATOM 925 CA SER A 62 0.820 -2.340 -12.808 1.00 0.00 C ATOM 926 C SER A 62 2.017 -2.321 -11.854 1.00 0.00 C ATOM 927 O SER A 62 2.131 -1.451 -11.014 1.00 0.00 O ATOM 928 CB SER A 62 1.255 -1.840 -14.185 1.00 0.00 C ATOM 929 OG SER A 62 0.696 -0.553 -14.414 1.00 0.00 O ATOM 0 H SER A 62 0.053 -0.462 -12.165 1.00 0.00 H new ATOM 0 HA SER A 62 0.437 -3.357 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.343 -1.792 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.926 -2.535 -14.958 1.00 0.00 H new ATOM 0 HG SER A 62 0.974 -0.228 -15.296 1.00 0.00 H new ATOM 935 N PRO A 63 2.908 -3.271 -11.980 1.00 0.00 N ATOM 936 CA PRO A 63 4.115 -3.352 -11.111 1.00 0.00 C ATOM 937 C PRO A 63 4.883 -2.028 -11.091 1.00 0.00 C ATOM 938 O PRO A 63 5.467 -1.651 -10.094 1.00 0.00 O ATOM 939 CB PRO A 63 4.974 -4.459 -11.742 1.00 0.00 C ATOM 940 CG PRO A 63 4.320 -4.820 -13.040 1.00 0.00 C ATOM 941 CD PRO A 63 2.866 -4.365 -12.954 1.00 0.00 C ATOM 0 HA PRO A 63 3.851 -3.562 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.994 -4.112 -11.905 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.034 -5.326 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.826 -4.334 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.377 -5.894 -13.214 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.493 -4.028 -13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.212 -5.172 -12.624 1.00 0.00 H new ATOM 949 N GLU A 64 4.872 -1.318 -12.183 1.00 0.00 N ATOM 950 CA GLU A 64 5.585 -0.011 -12.232 1.00 0.00 C ATOM 951 C GLU A 64 4.890 0.978 -11.295 1.00 0.00 C ATOM 952 O GLU A 64 5.498 1.898 -10.783 1.00 0.00 O ATOM 953 CB GLU A 64 5.557 0.532 -13.660 1.00 0.00 C ATOM 954 CG GLU A 64 6.346 -0.397 -14.576 1.00 0.00 C ATOM 955 CD GLU A 64 6.380 0.185 -15.990 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.675 1.152 -16.229 1.00 0.00 O ATOM 957 OE2 GLU A 64 7.110 -0.346 -16.811 1.00 0.00 O ATOM 0 H GLU A 64 4.399 -1.586 -13.046 1.00 0.00 H new ATOM 0 HA GLU A 64 6.620 -0.147 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.527 0.614 -14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.984 1.535 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.361 -0.521 -14.198 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.888 -1.386 -14.590 1.00 0.00 H new ATOM 964 N HIS A 65 3.617 0.798 -11.073 1.00 0.00 N ATOM 965 CA HIS A 65 2.872 1.728 -10.177 1.00 0.00 C ATOM 966 C HIS A 65 3.364 1.565 -8.738 1.00 0.00 C ATOM 967 O HIS A 65 3.291 2.478 -7.940 1.00 0.00 O ATOM 968 CB HIS A 65 1.377 1.407 -10.245 1.00 0.00 C ATOM 969 CG HIS A 65 0.627 2.308 -9.306 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.191 1.813 -8.301 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.562 3.676 -9.202 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.708 2.865 -7.642 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.280 4.021 -8.152 1.00 0.00 N ATOM 0 H HIS A 65 3.059 0.045 -11.475 1.00 0.00 H new ATOM 0 HA HIS A 65 3.042 2.755 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.012 1.540 -11.263 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.206 0.364 -9.979 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.368 0.829 -8.099 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.084 4.375 -9.838 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.385 2.784 -6.805 1.00 0.00 H new ATOM 982 N PHE A 66 3.868 0.411 -8.400 1.00 0.00 N ATOM 983 CA PHE A 66 4.367 0.191 -7.014 1.00 0.00 C ATOM 984 C PHE A 66 5.848 0.566 -6.945 1.00 0.00 C ATOM 985 O PHE A 66 6.532 0.269 -5.986 1.00 0.00 O ATOM 986 CB PHE A 66 4.190 -1.282 -6.639 1.00 0.00 C ATOM 987 CG PHE A 66 2.719 -1.620 -6.622 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.106 -2.138 -7.769 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.967 -1.415 -5.459 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.743 -2.451 -7.754 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.603 -1.728 -5.444 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.010 -2.245 -6.592 1.00 0.00 C ATOM 0 H PHE A 66 3.956 -0.390 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 66 3.803 0.811 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.712 -1.917 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.631 -1.475 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.686 -2.296 -8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.439 -1.015 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.271 -2.852 -8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.023 -1.571 -4.547 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.063 -2.485 -6.581 1.00 0.00 H new ATOM 1002 N ARG A 67 6.348 1.212 -7.962 1.00 0.00 N ATOM 1003 CA ARG A 67 7.785 1.606 -7.970 1.00 0.00 C ATOM 1004 C ARG A 67 8.113 2.397 -6.700 1.00 0.00 C ATOM 1005 O ARG A 67 9.181 2.261 -6.135 1.00 0.00 O ATOM 1006 CB ARG A 67 8.063 2.475 -9.203 1.00 0.00 C ATOM 1007 CG ARG A 67 9.560 2.788 -9.313 1.00 0.00 C ATOM 1008 CD ARG A 67 10.296 1.617 -9.972 1.00 0.00 C ATOM 1009 NE ARG A 67 11.750 1.931 -10.056 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.517 1.258 -10.868 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.792 1.532 -10.940 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.012 0.311 -11.609 1.00 0.00 N ATOM 0 H ARG A 67 5.821 1.485 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 67 8.407 0.711 -8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.726 1.959 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.495 3.403 -9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.708 3.696 -9.898 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.974 2.976 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.142 0.705 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.894 1.435 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 67 12.146 2.673 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.188 2.273 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.392 1.005 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.016 0.096 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.613 -0.215 -12.244 1.00 0.00 H new ATOM 1026 N SER A 68 7.212 3.225 -6.246 1.00 0.00 N ATOM 1027 CA SER A 68 7.492 4.022 -5.016 1.00 0.00 C ATOM 1028 C SER A 68 6.201 4.225 -4.217 1.00 0.00 C ATOM 1029 O SER A 68 5.110 4.152 -4.747 1.00 0.00 O ATOM 1030 CB SER A 68 8.061 5.384 -5.412 1.00 0.00 C ATOM 1031 OG SER A 68 7.048 6.149 -6.051 1.00 0.00 O ATOM 0 H SER A 68 6.298 3.384 -6.670 1.00 0.00 H new ATOM 0 HA SER A 68 8.214 3.485 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.427 5.909 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.912 5.255 -6.081 1.00 0.00 H new ATOM 0 HG SER A 68 7.410 7.024 -6.305 1.00 0.00 H new ATOM 1037 N ILE A 69 6.321 4.481 -2.941 1.00 0.00 N ATOM 1038 CA ILE A 69 5.118 4.692 -2.095 1.00 0.00 C ATOM 1039 C ILE A 69 4.368 5.948 -2.551 1.00 0.00 C ATOM 1040 O ILE A 69 3.156 6.003 -2.522 1.00 0.00 O ATOM 1041 CB ILE A 69 5.562 4.871 -0.645 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.317 3.631 -0.182 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.341 5.059 0.237 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.948 3.896 1.185 1.00 0.00 C ATOM 0 H ILE A 69 7.211 4.553 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 69 4.456 3.831 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 69 6.211 5.744 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.638 2.781 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.089 3.371 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.656 5.187 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.791 5.943 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.698 4.183 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.488 3.008 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.640 4.734 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.166 4.134 1.906 1.00 0.00 H new ATOM 1056 N ARG A 70 5.084 6.963 -2.954 1.00 0.00 N ATOM 1057 CA ARG A 70 4.416 8.223 -3.390 1.00 0.00 C ATOM 1058 C ARG A 70 3.499 7.954 -4.586 1.00 0.00 C ATOM 1059 O ARG A 70 2.411 8.488 -4.674 1.00 0.00 O ATOM 1060 CB ARG A 70 5.478 9.249 -3.787 1.00 0.00 C ATOM 1061 CG ARG A 70 4.803 10.581 -4.119 1.00 0.00 C ATOM 1062 CD ARG A 70 5.868 11.622 -4.469 1.00 0.00 C ATOM 1063 NE ARG A 70 6.499 11.270 -5.772 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.203 12.158 -6.417 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.755 11.850 -7.558 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.356 13.356 -5.921 1.00 0.00 N ATOM 0 H ARG A 70 6.103 6.974 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 70 3.817 8.608 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.191 9.383 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.041 8.890 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.116 10.454 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.211 10.922 -3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.418 12.613 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.625 11.661 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 70 6.380 10.334 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.636 10.914 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.306 12.545 -8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.925 13.597 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.907 14.050 -6.426 1.00 0.00 H new ATOM 1080 N SER A 71 3.925 7.140 -5.512 1.00 0.00 N ATOM 1081 CA SER A 71 3.070 6.858 -6.695 1.00 0.00 C ATOM 1082 C SER A 71 1.773 6.182 -6.245 1.00 0.00 C ATOM 1083 O SER A 71 0.708 6.454 -6.763 1.00 0.00 O ATOM 1084 CB SER A 71 3.823 5.931 -7.648 1.00 0.00 C ATOM 1085 OG SER A 71 3.955 4.648 -7.049 1.00 0.00 O ATOM 0 H SER A 71 4.825 6.660 -5.500 1.00 0.00 H new ATOM 0 HA SER A 71 2.830 7.793 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.287 5.850 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.807 6.343 -7.873 1.00 0.00 H new ATOM 0 HG SER A 71 3.380 4.008 -7.517 1.00 0.00 H new ATOM 1091 N ILE A 72 1.852 5.308 -5.281 1.00 0.00 N ATOM 1092 CA ILE A 72 0.631 4.620 -4.794 1.00 0.00 C ATOM 1093 C ILE A 72 -0.280 5.622 -4.081 1.00 0.00 C ATOM 1094 O ILE A 72 -1.488 5.576 -4.201 1.00 0.00 O ATOM 1095 CB ILE A 72 1.039 3.518 -3.818 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.960 2.522 -4.529 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.207 2.794 -3.325 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.470 1.491 -3.523 1.00 0.00 C ATOM 0 H ILE A 72 2.716 5.041 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 72 0.093 4.188 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 72 1.565 3.958 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.421 2.024 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.799 3.048 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.081 2.007 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.864 3.503 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.731 2.354 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.125 0.782 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.024 1.997 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.625 0.957 -3.089 1.00 0.00 H new ATOM 1110 N ASP A 73 0.294 6.520 -3.328 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.530 7.519 -2.592 1.00 0.00 C ATOM 1112 C ASP A 73 -1.364 8.347 -3.573 1.00 0.00 C ATOM 1113 O ASP A 73 -2.514 8.648 -3.322 1.00 0.00 O ATOM 1114 CB ASP A 73 0.394 8.452 -1.807 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.442 9.348 -0.891 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.138 10.198 -0.236 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.648 9.169 -0.863 1.00 0.00 O ATOM 0 H ASP A 73 1.301 6.605 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.200 6.994 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.100 7.869 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.980 9.062 -2.494 1.00 0.00 H new ATOM 1122 N ALA A 74 -0.793 8.733 -4.680 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.558 9.556 -5.660 1.00 0.00 C ATOM 1124 C ALA A 74 -2.706 8.744 -6.261 1.00 0.00 C ATOM 1125 O ALA A 74 -3.809 9.232 -6.409 1.00 0.00 O ATOM 1126 CB ALA A 74 -0.622 10.018 -6.778 1.00 0.00 C ATOM 0 H ALA A 74 0.167 8.516 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.973 10.421 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.181 10.620 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.185 10.615 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.202 9.148 -7.284 1.00 0.00 H new ATOM 1132 N PHE A 75 -2.462 7.515 -6.614 1.00 0.00 N ATOM 1133 CA PHE A 75 -3.549 6.690 -7.211 1.00 0.00 C ATOM 1134 C PHE A 75 -4.687 6.526 -6.203 1.00 0.00 C ATOM 1135 O PHE A 75 -5.842 6.737 -6.517 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.003 5.315 -7.587 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.079 4.523 -8.291 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.250 4.651 -9.675 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -4.906 3.663 -7.559 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -5.248 3.918 -10.327 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.905 2.930 -8.211 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.077 3.058 -9.595 1.00 0.00 C ATOM 0 H PHE A 75 -1.561 7.046 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.926 7.188 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.132 5.422 -8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.673 4.786 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.612 5.315 -10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.774 3.565 -6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.379 4.015 -11.395 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.543 2.266 -7.647 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.849 2.494 -10.098 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.372 6.150 -4.995 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.433 5.971 -3.975 1.00 0.00 C ATOM 1154 C VAL A 76 -6.069 7.323 -3.645 1.00 0.00 C ATOM 1155 O VAL A 76 -7.273 7.447 -3.561 1.00 0.00 O ATOM 1156 CB VAL A 76 -4.811 5.369 -2.715 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -5.839 5.371 -1.590 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.375 3.930 -3.001 1.00 0.00 C ATOM 0 H VAL A 76 -3.423 5.960 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.205 5.304 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.945 5.961 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.396 4.942 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.153 6.395 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.704 4.778 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.931 3.499 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.242 3.339 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.641 3.926 -3.807 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.273 8.342 -3.460 1.00 0.00 N ATOM 1169 CA VAL A 77 -5.840 9.677 -3.138 1.00 0.00 C ATOM 1170 C VAL A 77 -6.702 10.170 -4.300 1.00 0.00 C ATOM 1171 O VAL A 77 -7.743 10.764 -4.105 1.00 0.00 O ATOM 1172 CB VAL A 77 -4.694 10.658 -2.902 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.246 12.079 -2.863 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.016 10.341 -1.568 1.00 0.00 C ATOM 0 H VAL A 77 -4.255 8.305 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.458 9.605 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.967 10.569 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.430 12.782 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.731 12.307 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.972 12.165 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.198 11.042 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.742 10.431 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.624 9.324 -1.592 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.269 9.937 -5.506 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.054 10.400 -6.682 1.00 0.00 C ATOM 1186 C GLY A 78 -8.465 9.807 -6.642 1.00 0.00 C ATOM 1187 O GLY A 78 -9.416 10.432 -7.070 1.00 0.00 O ATOM 0 H GLY A 78 -5.404 9.445 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.109 11.489 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.553 10.103 -7.603 1.00 0.00 H new ATOM 1191 N ALA A 79 -8.613 8.605 -6.148 1.00 0.00 N ATOM 1192 CA ALA A 79 -9.970 7.985 -6.106 1.00 0.00 C ATOM 1193 C ALA A 79 -10.532 8.012 -4.682 1.00 0.00 C ATOM 1194 O ALA A 79 -11.660 8.406 -4.460 1.00 0.00 O ATOM 1195 CB ALA A 79 -9.877 6.535 -6.584 1.00 0.00 C ATOM 0 H ALA A 79 -7.858 8.030 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.635 8.553 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.866 6.078 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.497 6.512 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.202 5.980 -5.933 1.00 0.00 H new ATOM 1201 N THR A 80 -9.764 7.591 -3.718 1.00 0.00 N ATOM 1202 CA THR A 80 -10.270 7.588 -2.315 1.00 0.00 C ATOM 1203 C THR A 80 -9.092 7.583 -1.338 1.00 0.00 C ATOM 1204 O THR A 80 -8.125 6.876 -1.528 1.00 0.00 O ATOM 1205 CB THR A 80 -11.122 6.341 -2.088 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.167 6.302 -3.050 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.723 6.373 -0.681 1.00 0.00 C ATOM 0 H THR A 80 -8.810 7.249 -3.838 1.00 0.00 H new ATOM 0 HA THR A 80 -10.872 8.481 -2.147 1.00 0.00 H new ATOM 0 HB THR A 80 -10.497 5.454 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.328 7.205 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.330 5.481 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.921 6.400 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.347 7.260 -0.572 1.00 0.00 H new ATOM 1215 N THR A 81 -9.172 8.357 -0.288 1.00 0.00 N ATOM 1216 CA THR A 81 -8.061 8.387 0.705 1.00 0.00 C ATOM 1217 C THR A 81 -8.596 7.939 2.070 1.00 0.00 C ATOM 1218 O THR A 81 -9.040 8.743 2.864 1.00 0.00 O ATOM 1219 CB THR A 81 -7.523 9.816 0.813 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.427 9.842 1.715 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.629 10.743 1.323 1.00 0.00 C ATOM 0 H THR A 81 -9.960 8.970 -0.076 1.00 0.00 H new ATOM 0 HA THR A 81 -7.261 7.718 0.388 1.00 0.00 H new ATOM 0 HB THR A 81 -7.193 10.155 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.804 10.551 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.245 11.760 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.469 10.724 0.629 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.962 10.406 2.305 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.554 6.657 2.338 1.00 0.00 N ATOM 1230 CA PRO A 82 -9.039 6.075 3.614 1.00 0.00 C ATOM 1231 C PRO A 82 -7.913 5.893 4.648 1.00 0.00 C ATOM 1232 O PRO A 82 -7.043 5.065 4.470 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.546 4.712 3.157 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.622 4.309 2.049 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.050 5.602 1.447 1.00 0.00 C ATOM 0 HA PRO A 82 -9.777 6.706 4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.524 3.989 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.578 4.770 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.822 3.673 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.156 3.734 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.960 5.585 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.388 5.749 0.421 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.925 6.645 5.725 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.880 6.529 6.780 1.00 0.00 C ATOM 1245 C PRO A 83 -7.119 5.317 7.687 1.00 0.00 C ATOM 1246 O PRO A 83 -8.224 5.074 8.131 1.00 0.00 O ATOM 1247 CB PRO A 83 -7.012 7.829 7.570 1.00 0.00 C ATOM 1248 CG PRO A 83 -8.426 8.272 7.383 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.919 7.680 6.059 1.00 0.00 C ATOM 0 HA PRO A 83 -5.886 6.383 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.787 7.671 8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.314 8.582 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.048 7.932 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.488 9.360 7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.917 7.254 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.976 8.441 5.281 1.00 0.00 H new ATOM 1257 N VAL A 84 -6.093 4.557 7.966 1.00 0.00 N ATOM 1258 CA VAL A 84 -6.260 3.361 8.844 1.00 0.00 C ATOM 1259 C VAL A 84 -5.280 3.444 10.016 1.00 0.00 C ATOM 1260 O VAL A 84 -4.110 3.721 9.841 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.978 2.094 8.035 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -6.254 0.864 8.899 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.887 2.064 6.803 1.00 0.00 C ATOM 0 H VAL A 84 -5.145 4.713 7.623 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.280 3.332 9.226 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.935 2.090 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.053 -0.039 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.609 0.884 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.297 0.868 9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.687 1.162 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.930 2.068 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.692 2.941 6.185 1.00 0.00 H new ATOM 1273 N GLU A 85 -5.747 3.204 11.211 1.00 0.00 N ATOM 1274 CA GLU A 85 -4.839 3.266 12.391 1.00 0.00 C ATOM 1275 C GLU A 85 -3.738 2.214 12.242 1.00 0.00 C ATOM 1276 O GLU A 85 -2.597 2.440 12.593 1.00 0.00 O ATOM 1277 CB GLU A 85 -5.638 2.991 13.666 1.00 0.00 C ATOM 1278 CG GLU A 85 -4.738 3.190 14.887 1.00 0.00 C ATOM 1279 CD GLU A 85 -5.508 2.816 16.155 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -4.940 2.942 17.227 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -6.650 2.408 16.033 1.00 0.00 O ATOM 0 H GLU A 85 -6.717 2.968 11.421 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.390 4.257 12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.496 3.660 13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.028 1.973 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.843 2.574 14.797 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.407 4.227 14.943 1.00 0.00 H new ATOM 1288 N ALA A 86 -4.071 1.065 11.720 1.00 0.00 N ATOM 1289 CA ALA A 86 -3.044 -0.001 11.546 1.00 0.00 C ATOM 1290 C ALA A 86 -3.440 -0.901 10.372 1.00 0.00 C ATOM 1291 O ALA A 86 -4.606 -1.072 10.076 1.00 0.00 O ATOM 1292 CB ALA A 86 -2.955 -0.839 12.824 1.00 0.00 C ATOM 0 H ALA A 86 -5.010 0.818 11.407 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.075 0.456 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.204 -1.618 12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.675 -0.199 13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.923 -1.298 13.027 1.00 0.00 H new ATOM 1298 N LYS A 87 -2.480 -1.477 9.702 1.00 0.00 N ATOM 1299 CA LYS A 87 -2.805 -2.364 8.550 1.00 0.00 C ATOM 1300 C LYS A 87 -3.675 -3.528 9.031 1.00 0.00 C ATOM 1301 O LYS A 87 -4.573 -3.970 8.343 1.00 0.00 O ATOM 1302 CB LYS A 87 -1.512 -2.911 7.942 1.00 0.00 C ATOM 1303 CG LYS A 87 -1.835 -3.661 6.648 1.00 0.00 C ATOM 1304 CD LYS A 87 -0.551 -4.261 6.074 1.00 0.00 C ATOM 1305 CE LYS A 87 -0.813 -4.782 4.659 1.00 0.00 C ATOM 1306 NZ LYS A 87 -2.242 -5.187 4.536 1.00 0.00 N ATOM 0 H LYS A 87 -1.485 -1.372 9.902 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.346 -1.793 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.819 -2.094 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.019 -3.579 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.562 -4.449 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.287 -2.982 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.237 -3.508 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.201 -5.073 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.578 -4.010 3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.164 -5.631 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.348 -5.849 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.549 -5.650 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.828 -4.345 4.366 1.00 0.00 H new ATOM 1320 N LEU A 88 -3.415 -4.027 10.209 1.00 0.00 N ATOM 1321 CA LEU A 88 -4.226 -5.163 10.732 1.00 0.00 C ATOM 1322 C LEU A 88 -5.400 -4.617 11.548 1.00 0.00 C ATOM 1323 O LEU A 88 -5.273 -3.641 12.261 1.00 0.00 O ATOM 1324 CB LEU A 88 -3.350 -6.045 11.625 1.00 0.00 C ATOM 1325 CG LEU A 88 -2.107 -6.484 10.848 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -1.285 -7.449 11.705 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -2.533 -7.188 9.559 1.00 0.00 C ATOM 0 H LEU A 88 -2.677 -3.697 10.831 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.606 -5.754 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.057 -5.497 12.520 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.912 -6.918 11.955 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.505 -5.609 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.399 -7.762 11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.981 -6.950 12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.888 -8.323 11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.648 -7.501 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.135 -8.063 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.120 -6.503 8.947 1.00 0.00 H new ATOM 1339 N GLN A 89 -6.543 -5.240 11.451 1.00 0.00 N ATOM 1340 CA GLN A 89 -7.723 -4.759 12.222 1.00 0.00 C ATOM 1341 C GLN A 89 -7.453 -4.917 13.720 1.00 0.00 C ATOM 1342 O GLN A 89 -6.373 -5.368 14.063 1.00 0.00 O ATOM 1343 CB GLN A 89 -8.954 -5.580 11.835 1.00 0.00 C ATOM 1344 CG GLN A 89 -9.286 -5.339 10.361 1.00 0.00 C ATOM 1345 CD GLN A 89 -10.486 -6.201 9.961 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -10.833 -7.138 10.652 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -11.137 -5.922 8.865 1.00 0.00 N ATOM 1348 OXT GLN A 89 -8.332 -4.584 14.497 1.00 0.00 O ATOM 0 H GLN A 89 -6.710 -6.062 10.870 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.902 -3.708 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.766 -6.640 12.008 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.802 -5.300 12.460 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.510 -4.285 10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.425 -5.584 9.739 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.846 -5.135 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.937 -6.491 8.588 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.862 -7.428 -12.669 1.00 0.00 O HETATM 1359 O4 PN7 A 101 -1.410 -7.006 -11.385 1.00 0.00 O HETATM 1360 C2 PN7 A 101 1.385 -7.616 -10.317 1.00 0.00 C HETATM 1361 C1 PN7 A 101 2.466 -8.673 -10.083 1.00 0.00 C HETATM 1362 P PN7 A 101 2.973 -10.279 -8.298 1.00 0.00 P HETATM 1363 O1P PN7 A 101 3.190 -9.169 -7.345 1.00 0.00 O HETATM 1364 O2P PN7 A 101 4.125 -10.876 -9.010 1.00 0.00 O HETATM 1365 O3P PN7 A 101 1.899 -9.793 -9.397 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 1.987 -6.220 -10.133 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 0.247 -7.815 -9.313 1.00 0.00 C HETATM 1368 C3 PN7 A 101 0.838 -7.756 -11.738 1.00 0.00 C HETATM 1369 C4 PN7 A 101 -0.343 -6.805 -11.933 1.00 0.00 C HETATM 1370 N5 PN7 A 101 -0.164 -5.769 -12.706 1.00 0.00 N HETATM 1371 C6 PN7 A 101 -0.948 -5.636 -13.966 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -0.019 -5.824 -15.167 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -0.218 -7.222 -15.753 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -1.234 -7.516 -16.352 1.00 0.00 O HETATM 1375 N9 PN7 A 101 0.749 -8.085 -15.598 1.00 0.00 N HETATM 1376 C10 PN7 A 101 1.878 -8.120 -16.569 1.00 0.00 C HETATM 1377 C11 PN7 A 101 2.969 -9.059 -16.048 1.00 0.00 C HETATM 1378 S12 PN7 A 101 4.540 -8.666 -16.857 1.00 0.00 S