USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 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 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 144 MET CE :methyl 165:sc= -0.222 (180deg=-1.01) USER MOD Set 1.3: A 145 MET CE :methyl 172:sc= 0 (180deg=-0.0605) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.05 K(o=-0.036,f=-6.9!) USER MOD Set 2.2: A 62 THR OG1 : rot 25:sc= 0.0137 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0.5) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0.582 (180deg=0.451) USER MOD Single : A 17 SER OG : rot 82:sc= 0.0145 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.0147 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.907 USER MOD Single : A 36 MET CE :methyl -123:sc= 0 (180deg=-1.32) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=-0.096) USER MOD Single : A 44 THR OG1 : rot -80:sc= 1.08 USER MOD Single : A 49 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.66) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.0671 USER MOD Single : A 71 MET CE :methyl -131:sc= -0.0673 (180deg=-2!) USER MOD Single : A 72 MET CE :methyl -121:sc= -0.265 (180deg=-0.856) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 1.29 (180deg=1.15) USER MOD Single : A 97 ASN : amide:sc= 0.0547 K(o=0.055,f=-3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 107 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 93:sc= 1.33 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= 0.245 USER MOD Single : A 135 GLN : amide:sc= -0.0264 K(o=-0.026,f=-2.7!) USER MOD Single : A 137 ASN : amide:sc= 0.565 K(o=0.57,f=-6.5!) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.00141 USER MOD Single : A 143 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.580 16.056 1.555 1.00 0.00 N ATOM 59 CA THR A 5 -13.055 17.270 0.968 1.00 0.00 C ATOM 60 C THR A 5 -14.296 17.002 0.187 1.00 0.00 C ATOM 61 O THR A 5 -14.736 15.873 -0.024 1.00 0.00 O ATOM 62 CB THR A 5 -12.055 17.953 0.082 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.611 17.147 -1.000 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.757 18.110 0.892 1.00 0.00 C ATOM 0 HA THR A 5 -13.251 17.947 1.799 1.00 0.00 H new ATOM 0 HB THR A 5 -12.540 18.864 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.964 17.649 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.003 18.604 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.953 18.710 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.394 17.127 1.191 1.00 0.00 H new ATOM 72 N GLU A 6 -15.067 17.999 -0.283 1.00 0.00 N ATOM 73 CA GLU A 6 -16.250 17.803 -1.062 1.00 0.00 C ATOM 74 C GLU A 6 -16.063 17.069 -2.344 1.00 0.00 C ATOM 75 O GLU A 6 -16.730 16.078 -2.639 1.00 0.00 O ATOM 76 CB GLU A 6 -17.081 19.072 -1.316 1.00 0.00 C ATOM 77 CG GLU A 6 -17.681 19.543 0.010 1.00 0.00 C ATOM 78 CD GLU A 6 -18.798 18.612 0.459 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.756 18.533 -0.355 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.779 18.175 1.640 1.00 0.00 O ATOM 0 H GLU A 6 -14.857 18.983 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.820 17.155 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.454 19.854 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.873 18.867 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.904 19.580 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.068 20.556 -0.100 1.00 0.00 H new ATOM 87 N GLU A 7 -14.987 17.376 -3.091 1.00 0.00 N ATOM 88 CA GLU A 7 -14.586 16.653 -4.257 1.00 0.00 C ATOM 89 C GLU A 7 -14.288 15.207 -4.054 1.00 0.00 C ATOM 90 O GLU A 7 -14.660 14.445 -4.945 1.00 0.00 O ATOM 91 CB GLU A 7 -13.408 17.372 -4.936 1.00 0.00 C ATOM 92 CG GLU A 7 -13.723 18.844 -5.208 1.00 0.00 C ATOM 93 CD GLU A 7 -12.565 19.517 -5.932 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.414 19.015 -5.828 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.729 20.598 -6.558 1.00 0.00 O ATOM 0 H GLU A 7 -14.372 18.160 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.460 16.649 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.524 17.300 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.169 16.872 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.629 18.922 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.919 19.359 -4.268 1.00 0.00 H new ATOM 102 N GLN A 8 -13.616 14.827 -2.952 1.00 0.00 N ATOM 103 CA GLN A 8 -13.300 13.469 -2.638 1.00 0.00 C ATOM 104 C GLN A 8 -14.609 12.785 -2.446 1.00 0.00 C ATOM 105 O GLN A 8 -14.712 11.621 -2.829 1.00 0.00 O ATOM 106 CB GLN A 8 -12.374 13.276 -1.424 1.00 0.00 C ATOM 107 CG GLN A 8 -10.924 13.750 -1.533 1.00 0.00 C ATOM 108 CD GLN A 8 -10.154 13.375 -0.275 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.299 14.036 0.753 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.219 12.387 -0.288 1.00 0.00 N ATOM 0 H GLN A 8 -13.281 15.491 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.717 13.042 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.828 13.788 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.359 12.213 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.451 13.300 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.896 14.830 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.081 11.826 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.656 12.207 0.543 1.00 0.00 H new ATOM 119 N ILE A 9 -15.692 13.384 -1.918 1.00 0.00 N ATOM 120 CA ILE A 9 -16.855 12.724 -1.411 1.00 0.00 C ATOM 121 C ILE A 9 -17.803 12.647 -2.558 1.00 0.00 C ATOM 122 O ILE A 9 -18.567 11.694 -2.705 1.00 0.00 O ATOM 123 CB ILE A 9 -17.453 13.346 -0.184 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.377 13.375 0.915 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.661 12.544 0.329 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.738 14.090 2.217 1.00 0.00 C ATOM 0 H ILE A 9 -15.758 14.399 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.589 11.733 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.795 14.350 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.110 12.346 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.485 13.848 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.066 13.026 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.428 12.506 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.346 11.530 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.895 14.038 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.971 15.134 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.606 13.608 2.668 1.00 0.00 H new ATOM 138 N ALA A 10 -17.717 13.627 -3.475 1.00 0.00 N ATOM 139 CA ALA A 10 -18.475 13.603 -4.688 1.00 0.00 C ATOM 140 C ALA A 10 -18.225 12.414 -5.550 1.00 0.00 C ATOM 141 O ALA A 10 -19.206 11.793 -5.957 1.00 0.00 O ATOM 142 CB ALA A 10 -18.087 14.875 -5.461 1.00 0.00 C ATOM 0 H ALA A 10 -17.116 14.445 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.532 13.552 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.637 14.911 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.332 15.753 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.017 14.863 -5.667 1.00 0.00 H new ATOM 148 N GLU A 11 -16.938 12.034 -5.637 1.00 0.00 N ATOM 149 CA GLU A 11 -16.563 10.865 -6.370 1.00 0.00 C ATOM 150 C GLU A 11 -16.778 9.562 -5.679 1.00 0.00 C ATOM 151 O GLU A 11 -17.285 8.605 -6.262 1.00 0.00 O ATOM 152 CB GLU A 11 -15.114 11.069 -6.842 1.00 0.00 C ATOM 153 CG GLU A 11 -14.879 12.161 -7.888 1.00 0.00 C ATOM 154 CD GLU A 11 -15.439 11.767 -9.247 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.859 10.844 -9.880 1.00 0.00 O ATOM 156 OE2 GLU A 11 -16.392 12.435 -9.731 1.00 0.00 O ATOM 0 H GLU A 11 -16.161 12.533 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.242 10.769 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.501 11.296 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.753 10.125 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.346 13.089 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.810 12.356 -7.977 1.00 0.00 H new ATOM 163 N PHE A 12 -16.682 9.583 -4.338 1.00 0.00 N ATOM 164 CA PHE A 12 -16.997 8.440 -3.539 1.00 0.00 C ATOM 165 C PHE A 12 -18.446 8.125 -3.394 1.00 0.00 C ATOM 166 O PHE A 12 -18.815 6.953 -3.451 1.00 0.00 O ATOM 167 CB PHE A 12 -16.391 8.528 -2.128 1.00 0.00 C ATOM 168 CG PHE A 12 -14.905 8.564 -2.027 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.039 8.561 -3.095 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.427 8.749 -0.751 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.695 8.798 -2.933 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.108 9.098 -0.582 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.256 9.081 -1.661 1.00 0.00 C ATOM 0 H PHE A 12 -16.384 10.399 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.547 7.629 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.784 9.423 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.748 7.674 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.424 8.368 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.076 8.622 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.013 8.763 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.743 9.384 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.209 9.297 -1.505 1.00 0.00 H new ATOM 183 N LYS A 13 -19.372 9.100 -3.428 1.00 0.00 N ATOM 184 CA LYS A 13 -20.768 8.868 -3.633 1.00 0.00 C ATOM 185 C LYS A 13 -21.139 8.044 -4.818 1.00 0.00 C ATOM 186 O LYS A 13 -21.848 7.046 -4.702 1.00 0.00 O ATOM 187 CB LYS A 13 -21.431 10.255 -3.597 1.00 0.00 C ATOM 188 CG LYS A 13 -22.957 10.169 -3.671 1.00 0.00 C ATOM 189 CD LYS A 13 -23.721 11.434 -3.272 1.00 0.00 C ATOM 190 CE LYS A 13 -23.205 12.748 -3.862 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.604 12.727 -5.287 1.00 0.00 N ATOM 0 H LYS A 13 -19.140 10.086 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.142 8.222 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.142 10.770 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.062 10.854 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.237 9.906 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.287 9.352 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.763 11.312 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.704 11.516 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.637 13.606 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.123 12.826 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.039 13.422 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.441 11.778 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.613 12.966 -5.369 1.00 0.00 H new ATOM 205 N GLU A 14 -20.545 8.422 -5.964 1.00 0.00 N ATOM 206 CA GLU A 14 -20.839 7.771 -7.204 1.00 0.00 C ATOM 207 C GLU A 14 -20.181 6.444 -7.365 1.00 0.00 C ATOM 208 O GLU A 14 -20.827 5.504 -7.827 1.00 0.00 O ATOM 209 CB GLU A 14 -20.697 8.732 -8.396 1.00 0.00 C ATOM 210 CG GLU A 14 -21.482 10.046 -8.378 1.00 0.00 C ATOM 211 CD GLU A 14 -22.974 9.927 -8.106 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.610 9.108 -8.821 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.560 10.453 -7.122 1.00 0.00 O ATOM 0 H GLU A 14 -19.862 9.177 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.895 7.501 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.640 8.980 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.984 8.188 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.045 10.697 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.346 10.541 -9.340 1.00 0.00 H new ATOM 220 N ALA A 15 -18.931 6.303 -6.890 1.00 0.00 N ATOM 221 CA ALA A 15 -18.255 5.062 -6.672 1.00 0.00 C ATOM 222 C ALA A 15 -18.945 4.022 -5.858 1.00 0.00 C ATOM 223 O ALA A 15 -18.879 2.832 -6.161 1.00 0.00 O ATOM 224 CB ALA A 15 -16.930 5.394 -5.964 1.00 0.00 C ATOM 0 H ALA A 15 -18.356 7.108 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.168 4.615 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.377 4.474 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.334 6.052 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.138 5.892 -5.017 1.00 0.00 H new ATOM 230 N PHE A 16 -19.670 4.461 -4.813 1.00 0.00 N ATOM 231 CA PHE A 16 -20.495 3.767 -3.875 1.00 0.00 C ATOM 232 C PHE A 16 -21.715 3.239 -4.549 1.00 0.00 C ATOM 233 O PHE A 16 -22.022 2.051 -4.630 1.00 0.00 O ATOM 234 CB PHE A 16 -20.862 4.514 -2.581 1.00 0.00 C ATOM 235 CG PHE A 16 -21.516 3.663 -1.548 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.738 2.931 -0.682 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.884 3.678 -1.414 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.301 2.222 0.352 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.455 2.922 -0.417 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.665 2.290 0.514 1.00 0.00 C ATOM 0 H PHE A 16 -19.672 5.459 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.862 2.953 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.957 4.949 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.528 5.341 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.667 2.913 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.497 4.270 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.691 1.629 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.529 2.824 -0.365 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.121 1.841 1.384 1.00 0.00 H new ATOM 250 N SER A 17 -22.371 4.091 -5.356 1.00 0.00 N ATOM 251 CA SER A 17 -23.573 3.838 -6.088 1.00 0.00 C ATOM 252 C SER A 17 -23.297 3.048 -7.320 1.00 0.00 C ATOM 253 O SER A 17 -24.224 2.585 -7.983 1.00 0.00 O ATOM 254 CB SER A 17 -24.265 5.154 -6.484 1.00 0.00 C ATOM 255 OG SER A 17 -24.777 5.813 -5.336 1.00 0.00 O ATOM 0 H SER A 17 -22.029 5.040 -5.508 1.00 0.00 H new ATOM 0 HA SER A 17 -24.231 3.265 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.556 5.804 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.075 4.949 -7.184 1.00 0.00 H new ATOM 0 HG SER A 17 -24.057 6.311 -4.896 1.00 0.00 H new ATOM 261 N LEU A 18 -22.059 2.945 -7.835 1.00 0.00 N ATOM 262 CA LEU A 18 -21.508 1.945 -8.697 1.00 0.00 C ATOM 263 C LEU A 18 -21.448 0.557 -8.158 1.00 0.00 C ATOM 264 O LEU A 18 -21.764 -0.415 -8.842 1.00 0.00 O ATOM 265 CB LEU A 18 -20.211 2.340 -9.423 1.00 0.00 C ATOM 266 CG LEU A 18 -19.924 1.455 -10.648 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.825 1.920 -11.805 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.465 1.549 -11.125 1.00 0.00 C ATOM 0 H LEU A 18 -21.359 3.654 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.283 1.907 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.279 3.381 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.375 2.273 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.118 0.423 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.636 1.304 -12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.871 1.824 -11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.608 2.962 -12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.323 0.903 -11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.237 2.579 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.799 1.231 -10.323 1.00 0.00 H new ATOM 280 N PHE A 19 -21.088 0.431 -6.868 1.00 0.00 N ATOM 281 CA PHE A 19 -20.852 -0.820 -6.217 1.00 0.00 C ATOM 282 C PHE A 19 -22.058 -1.473 -5.636 1.00 0.00 C ATOM 283 O PHE A 19 -22.188 -2.686 -5.792 1.00 0.00 O ATOM 284 CB PHE A 19 -19.792 -0.740 -5.105 1.00 0.00 C ATOM 285 CG PHE A 19 -18.392 -0.462 -5.533 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.919 -0.577 -6.819 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.514 0.007 -4.585 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.637 -0.278 -7.216 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.219 0.331 -4.917 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.803 0.168 -6.218 1.00 0.00 C ATOM 0 H PHE A 19 -20.956 1.234 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.493 -1.434 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.094 0.037 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.800 -1.683 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.606 -0.929 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.846 0.123 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.308 -0.386 -8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.539 0.708 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.778 0.400 -6.466 1.00 0.00 H new ATOM 300 N ASP A 20 -22.899 -0.665 -4.964 1.00 0.00 N ATOM 301 CA ASP A 20 -24.253 -0.930 -4.590 1.00 0.00 C ATOM 302 C ASP A 20 -25.085 -1.084 -5.816 1.00 0.00 C ATOM 303 O ASP A 20 -25.542 -0.124 -6.435 1.00 0.00 O ATOM 304 CB ASP A 20 -24.781 0.105 -3.581 1.00 0.00 C ATOM 305 CG ASP A 20 -26.086 -0.326 -2.927 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.484 -1.508 -3.108 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.708 0.539 -2.256 1.00 0.00 O ATOM 0 H ASP A 20 -22.600 0.260 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.310 -1.876 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.029 0.270 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.931 1.058 -4.089 1.00 0.00 H new ATOM 312 N LYS A 21 -25.509 -2.313 -6.161 1.00 0.00 N ATOM 313 CA LYS A 21 -26.280 -2.656 -7.315 1.00 0.00 C ATOM 314 C LYS A 21 -27.751 -2.496 -7.136 1.00 0.00 C ATOM 315 O LYS A 21 -28.457 -1.927 -7.967 1.00 0.00 O ATOM 316 CB LYS A 21 -25.974 -4.118 -7.681 1.00 0.00 C ATOM 317 CG LYS A 21 -26.420 -4.496 -9.096 1.00 0.00 C ATOM 318 CD LYS A 21 -25.803 -5.804 -9.594 1.00 0.00 C ATOM 319 CE LYS A 21 -26.308 -6.430 -10.895 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.594 -6.022 -12.126 1.00 0.00 N ATOM 0 H LYS A 21 -25.295 -3.129 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.994 -1.963 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.902 -4.292 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.467 -4.775 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.506 -4.584 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.152 -3.692 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.732 -5.637 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.929 -6.545 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.244 -7.514 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.363 -6.181 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.015 -6.503 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.674 -4.992 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.591 -6.284 -12.048 1.00 0.00 H new ATOM 334 N ASP A 22 -28.311 -3.096 -6.070 1.00 0.00 N ATOM 335 CA ASP A 22 -29.706 -2.972 -5.784 1.00 0.00 C ATOM 336 C ASP A 22 -30.222 -1.670 -5.276 1.00 0.00 C ATOM 337 O ASP A 22 -31.402 -1.354 -5.426 1.00 0.00 O ATOM 338 CB ASP A 22 -30.211 -4.139 -4.919 1.00 0.00 C ATOM 339 CG ASP A 22 -29.298 -4.460 -3.744 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.577 -3.589 -3.189 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.269 -5.648 -3.325 1.00 0.00 O ATOM 0 H ASP A 22 -27.794 -3.670 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.135 -3.012 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.205 -3.898 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.313 -5.027 -5.543 1.00 0.00 H new ATOM 346 N GLY A 23 -29.311 -0.884 -4.675 1.00 0.00 N ATOM 347 CA GLY A 23 -29.687 0.413 -4.205 1.00 0.00 C ATOM 348 C GLY A 23 -30.331 0.453 -2.862 1.00 0.00 C ATOM 349 O GLY A 23 -31.237 1.248 -2.612 1.00 0.00 O ATOM 0 H GLY A 23 -28.336 -1.138 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.797 1.042 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.371 0.857 -4.929 1.00 0.00 H new ATOM 353 N ASP A 24 -29.928 -0.379 -1.885 1.00 0.00 N ATOM 354 CA ASP A 24 -30.391 -0.490 -0.537 1.00 0.00 C ATOM 355 C ASP A 24 -29.774 0.576 0.302 1.00 0.00 C ATOM 356 O ASP A 24 -30.228 1.016 1.357 1.00 0.00 O ATOM 357 CB ASP A 24 -30.259 -1.901 0.061 1.00 0.00 C ATOM 358 CG ASP A 24 -28.886 -2.330 0.559 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.811 -2.492 -0.077 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.815 -2.226 1.812 1.00 0.00 O ATOM 0 H ASP A 24 -29.186 -1.055 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.469 -0.327 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.958 -1.980 0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.581 -2.618 -0.695 1.00 0.00 H new ATOM 365 N GLY A 25 -28.617 1.092 -0.150 1.00 0.00 N ATOM 366 CA GLY A 25 -27.634 1.795 0.614 1.00 0.00 C ATOM 367 C GLY A 25 -26.375 1.148 1.078 1.00 0.00 C ATOM 368 O GLY A 25 -25.535 1.764 1.733 1.00 0.00 O ATOM 0 H GLY A 25 -28.349 1.010 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.341 2.663 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.139 2.171 1.504 1.00 0.00 H new ATOM 372 N THR A 26 -26.221 -0.165 0.833 1.00 0.00 N ATOM 373 CA THR A 26 -25.120 -0.877 1.406 1.00 0.00 C ATOM 374 C THR A 26 -24.321 -1.723 0.476 1.00 0.00 C ATOM 375 O THR A 26 -24.753 -2.179 -0.582 1.00 0.00 O ATOM 376 CB THR A 26 -25.435 -1.658 2.647 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.309 -2.757 2.428 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.976 -0.723 3.742 1.00 0.00 C ATOM 0 H THR A 26 -26.844 -0.725 0.251 1.00 0.00 H new ATOM 0 HA THR A 26 -24.488 -0.034 1.687 1.00 0.00 H new ATOM 0 HB THR A 26 -24.496 -2.099 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.237 -2.464 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.201 -1.303 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.227 0.033 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.884 -0.236 3.388 1.00 0.00 H new ATOM 386 N ILE A 27 -23.061 -2.046 0.815 1.00 0.00 N ATOM 387 CA ILE A 27 -22.284 -2.980 0.060 1.00 0.00 C ATOM 388 C ILE A 27 -22.194 -4.198 0.914 1.00 0.00 C ATOM 389 O ILE A 27 -21.655 -4.282 2.016 1.00 0.00 O ATOM 390 CB ILE A 27 -20.867 -2.570 -0.213 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.754 -1.104 -0.661 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.247 -3.499 -1.271 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.373 -0.586 -1.061 1.00 0.00 C ATOM 0 H ILE A 27 -22.575 -1.655 1.622 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.771 -3.095 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.317 -2.660 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.424 -0.960 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.125 -0.477 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.218 -3.195 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.260 -4.526 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -20.823 -3.435 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.448 0.461 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.691 -0.679 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.994 -1.170 -1.900 1.00 0.00 H new ATOM 405 N THR A 28 -22.748 -5.306 0.390 1.00 0.00 N ATOM 406 CA THR A 28 -22.763 -6.575 1.050 1.00 0.00 C ATOM 407 C THR A 28 -21.628 -7.446 0.633 1.00 0.00 C ATOM 408 O THR A 28 -20.825 -7.027 -0.199 1.00 0.00 O ATOM 409 CB THR A 28 -24.018 -7.320 0.704 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.106 -7.620 -0.681 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.306 -6.603 1.143 1.00 0.00 C ATOM 0 H THR A 28 -23.201 -5.319 -0.524 1.00 0.00 H new ATOM 0 HA THR A 28 -22.692 -6.362 2.117 1.00 0.00 H new ATOM 0 HB THR A 28 -23.941 -8.248 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.342 -6.808 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.171 -7.202 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.297 -6.469 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.364 -5.629 0.657 1.00 0.00 H new ATOM 419 N THR A 29 -21.502 -8.687 1.136 1.00 0.00 N ATOM 420 CA THR A 29 -20.474 -9.579 0.700 1.00 0.00 C ATOM 421 C THR A 29 -20.519 -9.936 -0.745 1.00 0.00 C ATOM 422 O THR A 29 -19.485 -10.027 -1.406 1.00 0.00 O ATOM 423 CB THR A 29 -20.526 -10.891 1.426 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.820 -11.381 1.743 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.815 -10.703 2.777 1.00 0.00 C ATOM 0 H THR A 29 -22.118 -9.075 1.851 1.00 0.00 H new ATOM 0 HA THR A 29 -19.567 -9.012 0.910 1.00 0.00 H new ATOM 0 HB THR A 29 -20.069 -11.609 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.740 -12.238 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.835 -11.641 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.781 -10.405 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.325 -9.930 3.352 1.00 0.00 H new ATOM 433 N LYS A 30 -21.734 -10.048 -1.312 1.00 0.00 N ATOM 434 CA LYS A 30 -21.888 -10.321 -2.707 1.00 0.00 C ATOM 435 C LYS A 30 -21.574 -9.196 -3.633 1.00 0.00 C ATOM 436 O LYS A 30 -21.231 -9.422 -4.792 1.00 0.00 O ATOM 437 CB LYS A 30 -23.292 -10.873 -3.007 1.00 0.00 C ATOM 438 CG LYS A 30 -24.495 -9.962 -2.755 1.00 0.00 C ATOM 439 CD LYS A 30 -25.781 -10.654 -3.212 1.00 0.00 C ATOM 440 CE LYS A 30 -26.904 -9.621 -3.093 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.733 -9.804 -1.880 1.00 0.00 N ATOM 0 H LYS A 30 -22.612 -9.949 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.126 -11.073 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.315 -11.173 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.428 -11.777 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.561 -9.718 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.368 -9.022 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.687 -11.006 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.991 -11.527 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.470 -8.621 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.542 -9.683 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.476 -9.076 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.172 -10.747 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.134 -9.718 -1.034 1.00 0.00 H new ATOM 455 N GLU A 31 -21.676 -7.967 -3.097 1.00 0.00 N ATOM 456 CA GLU A 31 -21.267 -6.785 -3.790 1.00 0.00 C ATOM 457 C GLU A 31 -19.819 -6.436 -3.747 1.00 0.00 C ATOM 458 O GLU A 31 -19.159 -5.938 -4.657 1.00 0.00 O ATOM 459 CB GLU A 31 -22.185 -5.639 -3.331 1.00 0.00 C ATOM 460 CG GLU A 31 -23.601 -5.992 -3.789 1.00 0.00 C ATOM 461 CD GLU A 31 -24.586 -5.031 -3.139 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.577 -4.886 -1.887 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.506 -4.417 -3.742 1.00 0.00 O ATOM 0 H GLU A 31 -22.050 -7.791 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.384 -6.985 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.147 -5.524 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.865 -4.691 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.673 -5.927 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.840 -7.019 -3.514 1.00 0.00 H new ATOM 470 N LEU A 32 -19.173 -6.747 -2.609 1.00 0.00 N ATOM 471 CA LEU A 32 -17.757 -6.664 -2.430 1.00 0.00 C ATOM 472 C LEU A 32 -17.069 -7.747 -3.187 1.00 0.00 C ATOM 473 O LEU A 32 -15.990 -7.514 -3.731 1.00 0.00 O ATOM 474 CB LEU A 32 -17.312 -6.571 -0.961 1.00 0.00 C ATOM 475 CG LEU A 32 -15.912 -5.978 -0.732 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.038 -4.448 -0.815 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.420 -6.302 0.689 1.00 0.00 C ATOM 0 H LEU A 32 -19.661 -7.072 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.442 -5.710 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.038 -5.966 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.340 -7.570 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.223 -6.387 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.060 -3.993 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.414 -4.167 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.729 -4.098 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.428 -5.876 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.109 -5.877 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.374 -7.383 0.820 1.00 0.00 H new ATOM 489 N GLY A 33 -17.709 -8.925 -3.298 1.00 0.00 N ATOM 490 CA GLY A 33 -17.325 -9.878 -4.293 1.00 0.00 C ATOM 491 C GLY A 33 -17.061 -9.386 -5.674 1.00 0.00 C ATOM 492 O GLY A 33 -16.055 -9.681 -6.318 1.00 0.00 O ATOM 0 H GLY A 33 -18.486 -9.216 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.425 -10.382 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.110 -10.632 -4.352 1.00 0.00 H new ATOM 496 N THR A 34 -18.087 -8.658 -6.149 1.00 0.00 N ATOM 497 CA THR A 34 -18.268 -8.324 -7.527 1.00 0.00 C ATOM 498 C THR A 34 -17.265 -7.279 -7.873 1.00 0.00 C ATOM 499 O THR A 34 -16.698 -7.181 -8.960 1.00 0.00 O ATOM 500 CB THR A 34 -19.669 -7.860 -7.799 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.647 -8.846 -7.504 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.844 -7.604 -9.306 1.00 0.00 C ATOM 0 H THR A 34 -18.822 -8.286 -5.547 1.00 0.00 H new ATOM 0 HA THR A 34 -18.117 -9.205 -8.151 1.00 0.00 H new ATOM 0 HB THR A 34 -19.807 -6.976 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.750 -8.924 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.862 -7.267 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.140 -6.838 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.655 -8.526 -9.856 1.00 0.00 H new ATOM 510 N VAL A 35 -16.810 -6.539 -6.846 1.00 0.00 N ATOM 511 CA VAL A 35 -15.794 -5.540 -6.976 1.00 0.00 C ATOM 512 C VAL A 35 -14.502 -6.264 -7.137 1.00 0.00 C ATOM 513 O VAL A 35 -13.840 -6.064 -8.154 1.00 0.00 O ATOM 514 CB VAL A 35 -15.519 -4.698 -5.765 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.317 -3.779 -6.039 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.746 -3.784 -5.611 1.00 0.00 C ATOM 0 H VAL A 35 -17.161 -6.639 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.143 -4.901 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.322 -5.320 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.118 -3.168 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.440 -4.385 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.540 -3.132 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.613 -3.139 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.857 -3.170 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.639 -4.394 -5.476 1.00 0.00 H new ATOM 526 N MET A 36 -14.162 -7.236 -6.272 1.00 0.00 N ATOM 527 CA MET A 36 -13.010 -8.058 -6.474 1.00 0.00 C ATOM 528 C MET A 36 -12.967 -8.772 -7.781 1.00 0.00 C ATOM 529 O MET A 36 -11.928 -8.847 -8.436 1.00 0.00 O ATOM 530 CB MET A 36 -12.625 -8.840 -5.206 1.00 0.00 C ATOM 531 CG MET A 36 -12.685 -8.076 -3.882 1.00 0.00 C ATOM 532 SD MET A 36 -11.835 -6.469 -3.929 1.00 0.00 S ATOM 533 CE MET A 36 -12.307 -6.015 -2.235 1.00 0.00 C ATOM 0 H MET A 36 -14.690 -7.454 -5.427 1.00 0.00 H new ATOM 0 HA MET A 36 -12.159 -7.392 -6.616 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.281 -9.707 -5.129 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.611 -9.219 -5.335 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.729 -7.918 -3.611 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.241 -8.689 -3.098 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.846 -5.068 -2.249 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.947 -6.791 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.411 -5.913 -1.623 1.00 0.00 H new ATOM 543 N ARG A 37 -14.138 -9.289 -8.191 1.00 0.00 N ATOM 544 CA ARG A 37 -14.303 -10.134 -9.333 1.00 0.00 C ATOM 545 C ARG A 37 -14.185 -9.378 -10.612 1.00 0.00 C ATOM 546 O ARG A 37 -13.528 -9.930 -11.493 1.00 0.00 O ATOM 547 CB ARG A 37 -15.730 -10.696 -9.222 1.00 0.00 C ATOM 548 CG ARG A 37 -16.132 -11.607 -10.383 1.00 0.00 C ATOM 549 CD ARG A 37 -17.512 -12.249 -10.228 1.00 0.00 C ATOM 550 NE ARG A 37 -17.805 -13.158 -11.372 1.00 0.00 N ATOM 551 CZ ARG A 37 -18.962 -13.868 -11.518 1.00 0.00 C ATOM 552 NH1 ARG A 37 -19.925 -13.755 -10.558 1.00 0.00 N ATOM 553 NH2 ARG A 37 -19.072 -14.860 -12.449 1.00 0.00 N ATOM 0 H ARG A 37 -15.014 -9.109 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.532 -10.904 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.819 -11.253 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.433 -9.865 -9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.114 -11.029 -11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.386 -12.395 -10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.555 -12.808 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -18.275 -11.473 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.093 -13.256 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -19.773 -13.149 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -20.797 -14.276 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.280 -15.083 -13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.946 -15.378 -12.541 1.00 0.00 H new ATOM 567 N SER A 38 -14.694 -8.139 -10.734 1.00 0.00 N ATOM 568 CA SER A 38 -14.267 -7.302 -11.812 1.00 0.00 C ATOM 569 C SER A 38 -12.850 -6.851 -11.914 1.00 0.00 C ATOM 570 O SER A 38 -12.333 -6.753 -13.026 1.00 0.00 O ATOM 571 CB SER A 38 -15.195 -6.076 -11.774 1.00 0.00 C ATOM 572 OG SER A 38 -15.356 -5.639 -13.115 1.00 0.00 O ATOM 0 H SER A 38 -15.382 -7.725 -10.105 1.00 0.00 H new ATOM 0 HA SER A 38 -14.327 -7.940 -12.693 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.158 -6.334 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.765 -5.285 -11.159 1.00 0.00 H new ATOM 0 HG SER A 38 -15.945 -4.856 -13.135 1.00 0.00 H new ATOM 578 N LEU A 39 -12.081 -6.733 -10.817 1.00 0.00 N ATOM 579 CA LEU A 39 -10.665 -6.547 -10.879 1.00 0.00 C ATOM 580 C LEU A 39 -9.876 -7.779 -11.158 1.00 0.00 C ATOM 581 O LEU A 39 -8.648 -7.704 -11.172 1.00 0.00 O ATOM 582 CB LEU A 39 -10.166 -5.824 -9.617 1.00 0.00 C ATOM 583 CG LEU A 39 -10.692 -4.419 -9.282 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.852 -3.971 -8.074 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.620 -3.370 -10.404 1.00 0.00 C ATOM 0 H LEU A 39 -12.451 -6.768 -9.867 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.489 -5.919 -11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.389 -6.466 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.081 -5.756 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.764 -4.487 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.162 -2.972 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.001 -4.668 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.798 -3.955 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.020 -2.423 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.582 -3.233 -10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.206 -3.710 -11.258 1.00 0.00 H new ATOM 597 N GLY A 40 -10.518 -8.961 -11.200 1.00 0.00 N ATOM 598 CA GLY A 40 -9.849 -10.199 -11.453 1.00 0.00 C ATOM 599 C GLY A 40 -9.313 -10.952 -10.285 1.00 0.00 C ATOM 600 O GLY A 40 -8.476 -11.851 -10.362 1.00 0.00 O ATOM 0 H GLY A 40 -11.523 -9.058 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.543 -10.852 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.019 -9.999 -12.131 1.00 0.00 H new ATOM 604 N GLN A 41 -9.944 -10.642 -9.138 1.00 0.00 N ATOM 605 CA GLN A 41 -9.645 -11.314 -7.912 1.00 0.00 C ATOM 606 C GLN A 41 -10.762 -12.247 -7.594 1.00 0.00 C ATOM 607 O GLN A 41 -11.862 -12.236 -8.146 1.00 0.00 O ATOM 608 CB GLN A 41 -9.373 -10.346 -6.748 1.00 0.00 C ATOM 609 CG GLN A 41 -8.344 -9.268 -7.091 1.00 0.00 C ATOM 610 CD GLN A 41 -8.028 -8.230 -6.024 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.455 -7.086 -6.165 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.315 -8.622 -4.934 1.00 0.00 N ATOM 0 H GLN A 41 -10.664 -9.923 -9.060 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.719 -11.874 -8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.308 -9.867 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.022 -10.913 -5.886 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.413 -9.766 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.693 -8.741 -7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.981 -9.583 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.114 -7.955 -4.189 1.00 0.00 H new ATOM 621 N ASN A 42 -10.582 -13.185 -6.647 1.00 0.00 N ATOM 622 CA ASN A 42 -11.693 -13.948 -6.170 1.00 0.00 C ATOM 623 C ASN A 42 -11.475 -14.567 -4.832 1.00 0.00 C ATOM 624 O ASN A 42 -11.218 -15.769 -4.789 1.00 0.00 O ATOM 625 CB ASN A 42 -12.285 -14.984 -7.140 1.00 0.00 C ATOM 626 CG ASN A 42 -11.164 -15.614 -7.955 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.037 -15.411 -9.161 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.352 -16.452 -7.257 1.00 0.00 N ATOM 0 H ASN A 42 -9.685 -13.412 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.449 -13.168 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.822 -15.753 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.007 -14.507 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.597 -16.945 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.498 -16.587 -6.257 1.00 0.00 H new ATOM 635 N PRO A 43 -11.549 -13.829 -3.765 1.00 0.00 N ATOM 636 CA PRO A 43 -11.417 -14.428 -2.469 1.00 0.00 C ATOM 637 C PRO A 43 -12.696 -15.082 -2.073 1.00 0.00 C ATOM 638 O PRO A 43 -13.667 -14.993 -2.823 1.00 0.00 O ATOM 639 CB PRO A 43 -11.231 -13.186 -1.601 1.00 0.00 C ATOM 640 CG PRO A 43 -11.651 -11.946 -2.405 1.00 0.00 C ATOM 641 CD PRO A 43 -11.256 -12.405 -3.818 1.00 0.00 C ATOM 0 HA PRO A 43 -10.631 -15.180 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.830 -13.267 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.190 -13.097 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.716 -11.733 -2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.119 -11.047 -2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.836 -11.897 -4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.205 -12.212 -4.031 1.00 0.00 H new ATOM 649 N THR A 44 -12.772 -15.800 -0.939 1.00 0.00 N ATOM 650 CA THR A 44 -13.940 -16.448 -0.428 1.00 0.00 C ATOM 651 C THR A 44 -14.843 -15.478 0.254 1.00 0.00 C ATOM 652 O THR A 44 -14.497 -14.338 0.558 1.00 0.00 O ATOM 653 CB THR A 44 -13.745 -17.608 0.503 1.00 0.00 C ATOM 654 OG1 THR A 44 -13.000 -17.190 1.637 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.042 -18.740 -0.266 1.00 0.00 C ATOM 0 H THR A 44 -11.960 -15.937 -0.337 1.00 0.00 H new ATOM 0 HA THR A 44 -14.370 -16.866 -1.338 1.00 0.00 H new ATOM 0 HB THR A 44 -14.703 -17.981 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.047 -17.160 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.892 -19.592 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.659 -19.043 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.076 -18.388 -0.628 1.00 0.00 H new ATOM 663 N GLU A 45 -16.100 -15.876 0.518 1.00 0.00 N ATOM 664 CA GLU A 45 -16.997 -15.058 1.275 1.00 0.00 C ATOM 665 C GLU A 45 -16.736 -14.714 2.700 1.00 0.00 C ATOM 666 O GLU A 45 -17.030 -13.588 3.099 1.00 0.00 O ATOM 667 CB GLU A 45 -18.426 -15.616 1.167 1.00 0.00 C ATOM 668 CG GLU A 45 -18.955 -15.878 -0.244 1.00 0.00 C ATOM 669 CD GLU A 45 -20.286 -16.610 -0.146 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.184 -16.267 0.668 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.407 -17.632 -0.873 1.00 0.00 O ATOM 0 H GLU A 45 -16.496 -16.764 0.208 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.824 -14.099 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.470 -16.551 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.102 -14.918 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.081 -14.937 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.239 -16.473 -0.810 1.00 0.00 H new ATOM 678 N ALA A 46 -16.063 -15.582 3.477 1.00 0.00 N ATOM 679 CA ALA A 46 -15.416 -15.231 4.703 1.00 0.00 C ATOM 680 C ALA A 46 -14.361 -14.179 4.687 1.00 0.00 C ATOM 681 O ALA A 46 -14.309 -13.397 5.635 1.00 0.00 O ATOM 682 CB ALA A 46 -14.995 -16.518 5.433 1.00 0.00 C ATOM 0 H ALA A 46 -15.966 -16.569 3.241 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.176 -14.691 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.501 -16.260 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.877 -17.122 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.308 -17.085 4.804 1.00 0.00 H new ATOM 688 N GLU A 47 -13.519 -14.051 3.647 1.00 0.00 N ATOM 689 CA GLU A 47 -12.506 -13.077 3.379 1.00 0.00 C ATOM 690 C GLU A 47 -13.126 -11.755 3.080 1.00 0.00 C ATOM 691 O GLU A 47 -12.673 -10.720 3.566 1.00 0.00 O ATOM 692 CB GLU A 47 -11.562 -13.646 2.306 1.00 0.00 C ATOM 693 CG GLU A 47 -10.788 -14.857 2.832 1.00 0.00 C ATOM 694 CD GLU A 47 -10.162 -15.748 1.769 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.827 -16.183 0.791 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.001 -16.171 2.011 1.00 0.00 O ATOM 0 H GLU A 47 -13.559 -14.731 2.888 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.881 -12.877 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.139 -13.934 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.861 -12.874 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.998 -14.502 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.463 -15.462 3.437 1.00 0.00 H new ATOM 703 N LEU A 48 -14.161 -11.774 2.221 1.00 0.00 N ATOM 704 CA LEU A 48 -15.061 -10.697 1.947 1.00 0.00 C ATOM 705 C LEU A 48 -15.636 -10.160 3.213 1.00 0.00 C ATOM 706 O LEU A 48 -15.557 -8.953 3.435 1.00 0.00 O ATOM 707 CB LEU A 48 -16.215 -10.946 0.962 1.00 0.00 C ATOM 708 CG LEU A 48 -15.669 -11.091 -0.469 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.683 -11.832 -1.356 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.150 -9.753 -1.023 1.00 0.00 C ATOM 0 H LEU A 48 -14.384 -12.607 1.677 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.412 -9.987 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.757 -11.848 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.925 -10.120 1.006 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.781 -11.723 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.283 -11.927 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.869 -12.824 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.617 -11.271 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.773 -9.900 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.962 -9.027 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.346 -9.383 -0.387 1.00 0.00 H new ATOM 722 N GLN A 49 -16.231 -11.010 4.068 1.00 0.00 N ATOM 723 CA GLN A 49 -16.765 -10.701 5.358 1.00 0.00 C ATOM 724 C GLN A 49 -15.820 -10.052 6.311 1.00 0.00 C ATOM 725 O GLN A 49 -16.177 -9.070 6.959 1.00 0.00 O ATOM 726 CB GLN A 49 -17.485 -11.901 5.995 1.00 0.00 C ATOM 727 CG GLN A 49 -18.342 -11.542 7.211 1.00 0.00 C ATOM 728 CD GLN A 49 -19.647 -10.844 6.858 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.536 -11.500 6.316 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.604 -9.498 7.045 1.00 0.00 N ATOM 0 H GLN A 49 -16.348 -11.996 3.836 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.506 -9.929 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.119 -12.371 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.742 -12.640 6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.567 -12.452 7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.764 -10.898 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.803 -9.073 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.373 -8.913 6.717 1.00 0.00 H new ATOM 739 N ASP A 50 -14.544 -10.477 6.307 1.00 0.00 N ATOM 740 CA ASP A 50 -13.445 -10.012 7.095 1.00 0.00 C ATOM 741 C ASP A 50 -12.982 -8.637 6.757 1.00 0.00 C ATOM 742 O ASP A 50 -12.850 -7.785 7.636 1.00 0.00 O ATOM 743 CB ASP A 50 -12.251 -10.972 6.957 1.00 0.00 C ATOM 744 CG ASP A 50 -11.538 -11.156 8.289 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.943 -11.866 9.247 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.508 -10.432 8.348 1.00 0.00 O ATOM 0 H ASP A 50 -14.254 -11.229 5.682 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.820 -9.981 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.598 -11.938 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.551 -10.583 6.217 1.00 0.00 H new ATOM 751 N MET A 51 -12.758 -8.339 5.465 1.00 0.00 N ATOM 752 CA MET A 51 -12.783 -7.002 4.957 1.00 0.00 C ATOM 753 C MET A 51 -13.855 -6.061 5.387 1.00 0.00 C ATOM 754 O MET A 51 -13.528 -4.919 5.703 1.00 0.00 O ATOM 755 CB MET A 51 -12.758 -7.098 3.422 1.00 0.00 C ATOM 756 CG MET A 51 -11.436 -7.609 2.846 1.00 0.00 C ATOM 757 SD MET A 51 -11.280 -7.630 1.035 1.00 0.00 S ATOM 758 CE MET A 51 -10.386 -9.195 0.806 1.00 0.00 C ATOM 0 H MET A 51 -12.555 -9.044 4.756 1.00 0.00 H new ATOM 0 HA MET A 51 -11.908 -6.536 5.409 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.562 -7.759 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.967 -6.113 3.004 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.631 -6.994 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.276 -8.623 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.209 -9.361 -0.257 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.431 -9.149 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.981 -10.016 1.207 1.00 0.00 H new ATOM 768 N ILE A 52 -15.120 -6.517 5.390 1.00 0.00 N ATOM 769 CA ILE A 52 -16.176 -5.712 5.922 1.00 0.00 C ATOM 770 C ILE A 52 -16.064 -5.491 7.391 1.00 0.00 C ATOM 771 O ILE A 52 -16.282 -4.356 7.811 1.00 0.00 O ATOM 772 CB ILE A 52 -17.483 -6.353 5.561 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.599 -6.566 4.043 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.708 -5.623 6.136 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.763 -7.514 3.755 1.00 0.00 C ATOM 0 H ILE A 52 -15.409 -7.427 5.031 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.107 -4.718 5.481 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.482 -7.332 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.759 -5.612 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.671 -6.981 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.617 -6.143 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.644 -5.607 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.733 -4.601 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.849 -7.668 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.583 -8.471 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.688 -7.080 4.135 1.00 0.00 H new ATOM 787 N ASN A 53 -15.657 -6.526 8.148 1.00 0.00 N ATOM 788 CA ASN A 53 -15.586 -6.544 9.576 1.00 0.00 C ATOM 789 C ASN A 53 -14.455 -5.724 10.093 1.00 0.00 C ATOM 790 O ASN A 53 -14.580 -5.210 11.204 1.00 0.00 O ATOM 791 CB ASN A 53 -15.405 -7.981 10.096 1.00 0.00 C ATOM 792 CG ASN A 53 -16.639 -8.843 9.870 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.781 -8.420 9.697 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.448 -10.181 10.016 1.00 0.00 N ATOM 0 H ASN A 53 -15.358 -7.409 7.734 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.526 -6.123 9.932 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.550 -8.439 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.176 -7.952 11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.245 -10.817 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.508 -10.549 10.160 1.00 0.00 H new ATOM 801 N GLU A 54 -13.506 -5.419 9.189 1.00 0.00 N ATOM 802 CA GLU A 54 -12.470 -4.482 9.493 1.00 0.00 C ATOM 803 C GLU A 54 -12.951 -3.088 9.702 1.00 0.00 C ATOM 804 O GLU A 54 -12.558 -2.469 10.690 1.00 0.00 O ATOM 805 CB GLU A 54 -11.434 -4.495 8.356 1.00 0.00 C ATOM 806 CG GLU A 54 -10.164 -3.666 8.561 1.00 0.00 C ATOM 807 CD GLU A 54 -9.168 -3.617 7.411 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.423 -4.623 7.273 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.156 -2.640 6.616 1.00 0.00 O ATOM 0 H GLU A 54 -13.456 -5.819 8.252 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.033 -4.799 10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.138 -5.529 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.924 -4.144 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.463 -2.643 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.647 -4.053 9.439 1.00 0.00 H new ATOM 816 N VAL A 55 -13.918 -2.547 8.939 1.00 0.00 N ATOM 817 CA VAL A 55 -14.441 -1.236 9.171 1.00 0.00 C ATOM 818 C VAL A 55 -15.830 -1.188 9.708 1.00 0.00 C ATOM 819 O VAL A 55 -16.458 -0.131 9.745 1.00 0.00 O ATOM 820 CB VAL A 55 -14.352 -0.337 7.973 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.884 0.064 7.752 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.989 -1.030 6.757 1.00 0.00 C ATOM 0 H VAL A 55 -14.344 -3.028 8.147 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.780 -0.864 9.954 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.913 0.584 8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.812 0.718 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.514 0.589 8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.284 -0.830 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.923 -0.375 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.460 -1.961 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.036 -1.247 6.969 1.00 0.00 H new ATOM 832 N ASP A 56 -16.374 -2.356 10.093 1.00 0.00 N ATOM 833 CA ASP A 56 -17.761 -2.503 10.407 1.00 0.00 C ATOM 834 C ASP A 56 -17.932 -2.116 11.836 1.00 0.00 C ATOM 835 O ASP A 56 -17.597 -2.887 12.733 1.00 0.00 O ATOM 836 CB ASP A 56 -18.298 -3.911 10.096 1.00 0.00 C ATOM 837 CG ASP A 56 -19.815 -3.892 10.218 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.455 -2.807 10.188 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.397 -5.008 10.251 1.00 0.00 O ATOM 0 H ASP A 56 -15.837 -3.218 10.188 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.360 -1.850 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.003 -4.215 9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.872 -4.639 10.787 1.00 0.00 H new ATOM 844 N ALA A 57 -18.405 -0.881 12.082 1.00 0.00 N ATOM 845 CA ALA A 57 -18.526 -0.261 13.365 1.00 0.00 C ATOM 846 C ALA A 57 -19.887 -0.516 13.917 1.00 0.00 C ATOM 847 O ALA A 57 -19.963 -0.839 15.101 1.00 0.00 O ATOM 848 CB ALA A 57 -18.172 1.235 13.369 1.00 0.00 C ATOM 0 H ALA A 57 -18.726 -0.273 11.329 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.782 -0.719 14.017 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.288 1.634 14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.140 1.366 13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.837 1.768 12.689 1.00 0.00 H new ATOM 854 N ASP A 58 -20.908 -0.365 13.055 1.00 0.00 N ATOM 855 CA ASP A 58 -22.261 -0.696 13.381 1.00 0.00 C ATOM 856 C ASP A 58 -22.455 -2.139 13.700 1.00 0.00 C ATOM 857 O ASP A 58 -23.237 -2.553 14.554 1.00 0.00 O ATOM 858 CB ASP A 58 -23.333 0.049 12.569 1.00 0.00 C ATOM 859 CG ASP A 58 -23.342 -0.313 11.090 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.282 -1.548 10.847 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.256 0.593 10.219 1.00 0.00 O ATOM 0 H ASP A 58 -20.791 -0.004 12.108 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.473 -0.245 14.350 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.313 -0.168 12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.172 1.122 12.670 1.00 0.00 H new ATOM 866 N GLY A 59 -21.753 -2.963 12.902 1.00 0.00 N ATOM 867 CA GLY A 59 -21.802 -4.388 13.011 1.00 0.00 C ATOM 868 C GLY A 59 -22.886 -5.069 12.247 1.00 0.00 C ATOM 869 O GLY A 59 -23.224 -6.207 12.568 1.00 0.00 O ATOM 0 H GLY A 59 -21.135 -2.630 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.845 -4.790 12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.910 -4.648 14.064 1.00 0.00 H new ATOM 873 N ASN A 60 -23.576 -4.463 11.264 1.00 0.00 N ATOM 874 CA ASN A 60 -24.528 -5.138 10.439 1.00 0.00 C ATOM 875 C ASN A 60 -23.975 -6.109 9.453 1.00 0.00 C ATOM 876 O ASN A 60 -24.701 -6.906 8.862 1.00 0.00 O ATOM 877 CB ASN A 60 -25.528 -4.184 9.764 1.00 0.00 C ATOM 878 CG ASN A 60 -24.723 -3.192 8.937 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.545 -3.326 8.611 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.399 -2.078 8.548 1.00 0.00 N ATOM 0 H ASN A 60 -23.468 -3.474 11.037 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.065 -5.749 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.220 -4.739 9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.127 -3.664 10.512 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.929 -1.364 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.377 -1.956 8.813 1.00 0.00 H new ATOM 887 N GLY A 61 -22.644 -6.038 9.272 1.00 0.00 N ATOM 888 CA GLY A 61 -21.920 -6.947 8.438 1.00 0.00 C ATOM 889 C GLY A 61 -21.943 -6.599 6.990 1.00 0.00 C ATOM 890 O GLY A 61 -21.636 -7.394 6.103 1.00 0.00 O ATOM 0 H GLY A 61 -22.057 -5.332 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.884 -6.984 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.333 -7.947 8.566 1.00 0.00 H new ATOM 894 N THR A 62 -22.291 -5.324 6.738 1.00 0.00 N ATOM 895 CA THR A 62 -22.309 -4.685 5.459 1.00 0.00 C ATOM 896 C THR A 62 -21.525 -3.423 5.563 1.00 0.00 C ATOM 897 O THR A 62 -21.525 -2.836 6.644 1.00 0.00 O ATOM 898 CB THR A 62 -23.662 -4.346 4.905 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.517 -3.645 5.796 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.388 -5.672 4.621 1.00 0.00 C ATOM 0 H THR A 62 -22.581 -4.694 7.486 1.00 0.00 H new ATOM 0 HA THR A 62 -21.887 -5.414 4.767 1.00 0.00 H new ATOM 0 HB THR A 62 -23.478 -3.712 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.977 -3.165 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.378 -5.465 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.815 -6.253 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.486 -6.239 5.547 1.00 0.00 H new ATOM 908 N ILE A 63 -20.961 -2.926 4.447 1.00 0.00 N ATOM 909 CA ILE A 63 -20.300 -1.659 4.486 1.00 0.00 C ATOM 910 C ILE A 63 -21.271 -0.583 4.139 1.00 0.00 C ATOM 911 O ILE A 63 -21.820 -0.507 3.041 1.00 0.00 O ATOM 912 CB ILE A 63 -19.074 -1.427 3.653 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.156 -2.661 3.680 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.318 -0.161 4.090 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.275 -2.804 2.440 1.00 0.00 C ATOM 0 H ILE A 63 -20.961 -3.389 3.538 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.927 -1.647 5.510 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.399 -1.267 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.518 -2.608 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.770 -3.556 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.437 -0.029 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.970 0.706 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.010 -0.262 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.657 -3.697 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.905 -2.890 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.634 -1.927 2.346 1.00 0.00 H new ATOM 927 N ASP A 64 -21.581 0.294 5.111 1.00 0.00 N ATOM 928 CA ASP A 64 -22.485 1.389 4.941 1.00 0.00 C ATOM 929 C ASP A 64 -21.749 2.569 4.406 1.00 0.00 C ATOM 930 O ASP A 64 -20.521 2.560 4.329 1.00 0.00 O ATOM 931 CB ASP A 64 -23.211 1.634 6.274 1.00 0.00 C ATOM 932 CG ASP A 64 -23.930 0.384 6.762 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.353 -0.635 7.228 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.189 0.432 6.733 1.00 0.00 O ATOM 0 H ASP A 64 -21.187 0.238 6.050 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.256 1.170 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.491 1.957 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.931 2.444 6.153 1.00 0.00 H new ATOM 939 N PHE A 65 -22.400 3.669 3.987 1.00 0.00 N ATOM 940 CA PHE A 65 -21.746 4.837 3.484 1.00 0.00 C ATOM 941 C PHE A 65 -20.805 5.527 4.410 1.00 0.00 C ATOM 942 O PHE A 65 -19.738 5.894 3.920 1.00 0.00 O ATOM 943 CB PHE A 65 -22.708 5.754 2.710 1.00 0.00 C ATOM 944 CG PHE A 65 -22.036 6.825 1.922 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.438 6.593 0.705 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.144 8.136 2.320 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.821 7.612 0.019 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.665 9.199 1.590 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.927 8.908 0.466 1.00 0.00 C ATOM 0 H PHE A 65 -23.417 3.748 3.999 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.039 4.457 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.307 5.144 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.397 6.217 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.453 5.599 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.633 8.344 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.252 7.394 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.860 10.219 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.428 9.703 -0.069 1.00 0.00 H new ATOM 959 N PRO A 66 -20.934 5.766 5.681 1.00 0.00 N ATOM 960 CA PRO A 66 -19.896 6.334 6.492 1.00 0.00 C ATOM 961 C PRO A 66 -18.709 5.461 6.714 1.00 0.00 C ATOM 962 O PRO A 66 -17.652 5.925 7.139 1.00 0.00 O ATOM 963 CB PRO A 66 -20.497 6.696 7.848 1.00 0.00 C ATOM 964 CG PRO A 66 -21.619 5.650 7.943 1.00 0.00 C ATOM 965 CD PRO A 66 -22.136 5.678 6.496 1.00 0.00 C ATOM 0 HA PRO A 66 -19.523 7.199 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.775 6.605 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.878 7.717 7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.248 4.667 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.387 5.928 8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.709 4.781 6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.794 6.530 6.326 1.00 0.00 H new ATOM 973 N GLU A 67 -18.773 4.133 6.509 1.00 0.00 N ATOM 974 CA GLU A 67 -17.670 3.224 6.550 1.00 0.00 C ATOM 975 C GLU A 67 -16.978 3.180 5.231 1.00 0.00 C ATOM 976 O GLU A 67 -15.757 3.029 5.213 1.00 0.00 O ATOM 977 CB GLU A 67 -18.212 1.846 6.968 1.00 0.00 C ATOM 978 CG GLU A 67 -18.822 1.765 8.369 1.00 0.00 C ATOM 979 CD GLU A 67 -19.752 0.581 8.593 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.191 -0.100 7.628 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.164 0.274 9.743 1.00 0.00 O ATOM 0 H GLU A 67 -19.655 3.664 6.301 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.925 3.551 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.968 1.540 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.399 1.123 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.014 1.718 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.374 2.685 8.563 1.00 0.00 H new ATOM 988 N PHE A 68 -17.642 3.431 4.088 1.00 0.00 N ATOM 989 CA PHE A 68 -16.998 3.514 2.814 1.00 0.00 C ATOM 990 C PHE A 68 -16.023 4.641 2.779 1.00 0.00 C ATOM 991 O PHE A 68 -14.904 4.560 2.275 1.00 0.00 O ATOM 992 CB PHE A 68 -17.983 3.564 1.634 1.00 0.00 C ATOM 993 CG PHE A 68 -17.379 3.565 0.272 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.122 2.406 -0.422 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.126 4.783 -0.315 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.581 2.442 -1.685 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.547 4.826 -1.562 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.380 3.665 -2.279 1.00 0.00 C ATOM 0 H PHE A 68 -18.650 3.580 4.049 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.442 2.585 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.653 2.708 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.596 4.459 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.349 1.453 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.380 5.698 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.320 1.529 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.224 5.770 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.088 3.714 -3.318 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.423 5.719 3.477 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.713 6.956 3.566 1.00 0.00 C ATOM 1010 C LEU A 69 -14.472 6.760 4.369 1.00 0.00 C ATOM 1011 O LEU A 69 -13.428 7.270 3.966 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.561 8.083 4.179 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.637 8.589 3.203 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.187 9.868 3.856 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.146 8.849 1.769 1.00 0.00 C ATOM 0 H LEU A 69 -17.293 5.726 4.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.462 7.263 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.038 7.723 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.912 8.911 4.465 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.395 7.819 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.964 10.295 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.608 9.626 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.380 10.590 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.977 9.202 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.360 9.604 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.752 7.925 1.346 1.00 0.00 H new ATOM 1027 N THR A 70 -14.605 5.949 5.434 1.00 0.00 N ATOM 1028 CA THR A 70 -13.513 5.411 6.184 1.00 0.00 C ATOM 1029 C THR A 70 -12.598 4.531 5.403 1.00 0.00 C ATOM 1030 O THR A 70 -11.380 4.694 5.445 1.00 0.00 O ATOM 1031 CB THR A 70 -13.986 4.754 7.447 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.633 5.711 8.273 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.813 4.328 8.345 1.00 0.00 C ATOM 0 H THR A 70 -15.515 5.655 5.788 1.00 0.00 H new ATOM 0 HA THR A 70 -12.900 6.270 6.456 1.00 0.00 H new ATOM 0 HB THR A 70 -14.608 3.920 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.556 5.836 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.199 3.857 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.182 3.620 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.225 5.205 8.616 1.00 0.00 H new ATOM 1041 N MET A 71 -13.100 3.520 4.672 1.00 0.00 N ATOM 1042 CA MET A 71 -12.284 2.702 3.829 1.00 0.00 C ATOM 1043 C MET A 71 -11.489 3.513 2.865 1.00 0.00 C ATOM 1044 O MET A 71 -10.285 3.295 2.741 1.00 0.00 O ATOM 1045 CB MET A 71 -13.147 1.549 3.289 1.00 0.00 C ATOM 1046 CG MET A 71 -12.333 0.551 2.464 1.00 0.00 C ATOM 1047 SD MET A 71 -13.277 -0.940 2.029 1.00 0.00 S ATOM 1048 CE MET A 71 -13.508 -1.718 3.654 1.00 0.00 C ATOM 0 H MET A 71 -14.088 3.266 4.666 1.00 0.00 H new ATOM 0 HA MET A 71 -11.481 2.210 4.378 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.617 1.029 4.123 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.950 1.956 2.674 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.989 1.037 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.445 0.262 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.232 -2.771 3.596 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.879 -1.218 4.390 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.553 -1.633 3.953 1.00 0.00 H new ATOM 1058 N MET A 72 -12.109 4.539 2.255 1.00 0.00 N ATOM 1059 CA MET A 72 -11.356 5.326 1.329 1.00 0.00 C ATOM 1060 C MET A 72 -10.494 6.378 1.936 1.00 0.00 C ATOM 1061 O MET A 72 -9.549 6.846 1.303 1.00 0.00 O ATOM 1062 CB MET A 72 -12.244 6.085 0.328 1.00 0.00 C ATOM 1063 CG MET A 72 -13.163 5.150 -0.460 1.00 0.00 C ATOM 1064 SD MET A 72 -12.139 3.879 -1.261 1.00 0.00 S ATOM 1065 CE MET A 72 -11.805 5.027 -2.628 1.00 0.00 C ATOM 0 H MET A 72 -13.081 4.815 2.392 1.00 0.00 H new ATOM 0 HA MET A 72 -10.739 4.563 0.854 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.848 6.817 0.864 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.613 6.640 -0.366 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.892 4.686 0.204 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.724 5.711 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.148 4.587 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.332 5.965 -2.453 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.734 5.219 -2.688 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.704 6.790 3.199 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.808 7.565 3.999 1.00 0.00 C ATOM 1077 C ALA A 73 -8.604 6.799 4.430 1.00 0.00 C ATOM 1078 O ALA A 73 -7.563 7.410 4.665 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.551 8.069 5.248 1.00 0.00 C ATOM 0 H ALA A 73 -11.565 6.564 3.697 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.464 8.395 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.872 8.661 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.396 8.686 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.912 7.218 5.825 1.00 0.00 H new ATOM 1234 N GLU A 83 3.716 9.958 9.088 1.00 0.00 N ATOM 1235 CA GLU A 83 3.647 10.682 10.318 1.00 0.00 C ATOM 1236 C GLU A 83 2.653 10.085 11.254 1.00 0.00 C ATOM 1237 O GLU A 83 2.914 10.059 12.456 1.00 0.00 O ATOM 1238 CB GLU A 83 3.299 12.172 10.163 1.00 0.00 C ATOM 1239 CG GLU A 83 3.550 13.009 11.419 1.00 0.00 C ATOM 1240 CD GLU A 83 4.990 13.439 11.660 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.532 14.211 10.824 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.551 12.885 12.643 1.00 0.00 O ATOM 0 HA GLU A 83 4.659 10.608 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.883 12.586 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.249 12.261 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.929 13.903 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.213 12.439 12.284 1.00 0.00 H new ATOM 1249 N GLU A 84 1.592 9.399 10.793 1.00 0.00 N ATOM 1250 CA GLU A 84 0.727 8.530 11.528 1.00 0.00 C ATOM 1251 C GLU A 84 1.431 7.389 12.178 1.00 0.00 C ATOM 1252 O GLU A 84 1.331 7.156 13.381 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.418 7.979 10.661 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.582 7.242 11.327 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.598 7.097 10.203 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.487 7.978 10.063 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.643 6.040 9.518 1.00 0.00 O ATOM 0 H GLU A 84 1.316 9.460 9.813 1.00 0.00 H new ATOM 0 HA GLU A 84 0.318 9.163 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.838 8.817 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.023 7.300 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.273 6.272 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.988 7.808 12.165 1.00 0.00 H new ATOM 1264 N ILE A 85 2.193 6.609 11.389 1.00 0.00 N ATOM 1265 CA ILE A 85 3.044 5.590 11.920 1.00 0.00 C ATOM 1266 C ILE A 85 4.095 6.082 12.854 1.00 0.00 C ATOM 1267 O ILE A 85 4.348 5.418 13.858 1.00 0.00 O ATOM 1268 CB ILE A 85 3.692 4.667 10.931 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.893 5.189 10.125 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.612 4.172 9.954 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.406 4.387 8.930 1.00 0.00 C ATOM 0 H ILE A 85 2.219 6.686 10.372 1.00 0.00 H new ATOM 0 HA ILE A 85 2.305 5.007 12.470 1.00 0.00 H new ATOM 0 HB ILE A 85 4.129 3.883 11.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.635 6.184 9.763 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.725 5.308 10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.062 3.498 9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.836 3.642 10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.171 5.024 9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.255 4.904 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.718 3.397 9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.611 4.287 8.191 1.00 0.00 H new ATOM 1283 N ARG A 86 4.682 7.264 12.591 1.00 0.00 N ATOM 1284 CA ARG A 86 5.624 7.911 13.451 1.00 0.00 C ATOM 1285 C ARG A 86 5.181 8.257 14.831 1.00 0.00 C ATOM 1286 O ARG A 86 5.904 7.904 15.761 1.00 0.00 O ATOM 1287 CB ARG A 86 6.213 9.210 12.878 1.00 0.00 C ATOM 1288 CG ARG A 86 7.329 9.857 13.701 1.00 0.00 C ATOM 1289 CD ARG A 86 8.427 10.621 12.959 1.00 0.00 C ATOM 1290 NE ARG A 86 7.755 11.520 11.980 1.00 0.00 N ATOM 1291 CZ ARG A 86 8.302 11.934 10.800 1.00 0.00 C ATOM 1292 NH1 ARG A 86 9.543 11.479 10.458 1.00 0.00 N ATOM 1293 NH2 ARG A 86 7.529 12.579 9.878 1.00 0.00 N ATOM 0 H ARG A 86 4.491 7.792 11.740 1.00 0.00 H new ATOM 0 HA ARG A 86 6.359 7.109 13.513 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.598 9.002 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.406 9.933 12.764 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.865 10.545 14.408 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.808 9.072 14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.033 11.198 13.657 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.099 9.930 12.449 1.00 0.00 H new ATOM 0 HE ARG A 86 6.817 11.850 12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.042 10.843 11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.971 11.775 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.542 12.752 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.938 12.888 8.996 1.00 0.00 H new ATOM 1307 N GLU A 87 3.975 8.834 14.985 1.00 0.00 N ATOM 1308 CA GLU A 87 3.404 8.934 16.292 1.00 0.00 C ATOM 1309 C GLU A 87 2.896 7.691 16.939 1.00 0.00 C ATOM 1310 O GLU A 87 3.119 7.461 18.126 1.00 0.00 O ATOM 1311 CB GLU A 87 2.319 10.024 16.310 1.00 0.00 C ATOM 1312 CG GLU A 87 1.787 10.338 17.709 1.00 0.00 C ATOM 1313 CD GLU A 87 2.667 11.226 18.577 1.00 0.00 C ATOM 1314 OE1 GLU A 87 3.755 10.802 19.050 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.304 12.415 18.781 1.00 0.00 O ATOM 0 H GLU A 87 3.410 9.221 14.229 1.00 0.00 H new ATOM 0 HA GLU A 87 4.262 9.193 16.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.725 10.936 15.872 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.489 9.709 15.677 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.813 10.816 17.606 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.626 9.396 18.234 1.00 0.00 H new ATOM 1322 N ALA A 88 2.275 6.811 16.134 1.00 0.00 N ATOM 1323 CA ALA A 88 1.919 5.505 16.595 1.00 0.00 C ATOM 1324 C ALA A 88 2.980 4.644 17.188 1.00 0.00 C ATOM 1325 O ALA A 88 2.698 3.945 18.160 1.00 0.00 O ATOM 1326 CB ALA A 88 1.158 4.738 15.500 1.00 0.00 C ATOM 0 H ALA A 88 2.020 7.003 15.165 1.00 0.00 H new ATOM 0 HA ALA A 88 1.288 5.726 17.456 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.894 3.746 15.867 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.250 5.282 15.239 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.790 4.642 14.617 1.00 0.00 H new ATOM 1332 N PHE A 89 4.252 4.787 16.777 1.00 0.00 N ATOM 1333 CA PHE A 89 5.370 4.106 17.353 1.00 0.00 C ATOM 1334 C PHE A 89 5.456 4.459 18.798 1.00 0.00 C ATOM 1335 O PHE A 89 5.635 3.605 19.665 1.00 0.00 O ATOM 1336 CB PHE A 89 6.598 4.645 16.600 1.00 0.00 C ATOM 1337 CG PHE A 89 7.863 3.992 17.041 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.000 2.625 17.001 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.934 4.756 17.440 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.229 2.051 17.231 1.00 0.00 C ATOM 1341 CE2 PHE A 89 10.132 4.178 17.787 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.248 2.808 17.759 1.00 0.00 C ATOM 0 H PHE A 89 4.513 5.405 16.009 1.00 0.00 H new ATOM 0 HA PHE A 89 5.294 3.022 17.274 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.464 4.487 15.530 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.674 5.721 16.756 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.144 2.002 16.789 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.832 5.830 17.482 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.393 1.009 16.998 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.971 4.792 18.078 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.134 2.330 18.149 1.00 0.00 H new ATOM 1352 N ARG A 90 5.363 5.775 19.058 1.00 0.00 N ATOM 1353 CA ARG A 90 5.694 6.377 20.312 1.00 0.00 C ATOM 1354 C ARG A 90 4.473 6.332 21.166 1.00 0.00 C ATOM 1355 O ARG A 90 4.575 6.487 22.382 1.00 0.00 O ATOM 1356 CB ARG A 90 5.951 7.841 19.918 1.00 0.00 C ATOM 1357 CG ARG A 90 6.622 8.599 21.065 1.00 0.00 C ATOM 1358 CD ARG A 90 7.155 10.022 20.889 1.00 0.00 C ATOM 1359 NE ARG A 90 6.040 10.992 20.696 1.00 0.00 N ATOM 1360 CZ ARG A 90 5.634 12.024 21.492 1.00 0.00 C ATOM 1361 NH1 ARG A 90 6.457 12.476 22.482 1.00 0.00 N ATOM 1362 NH2 ARG A 90 4.426 12.614 21.252 1.00 0.00 N ATOM 0 H ARG A 90 5.043 6.449 18.363 1.00 0.00 H new ATOM 0 HA ARG A 90 6.524 5.906 20.839 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.584 7.879 19.031 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.009 8.324 19.658 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.904 8.631 21.884 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.460 7.988 21.399 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.740 10.305 21.764 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.826 10.059 20.031 1.00 0.00 H new ATOM 0 HE ARG A 90 5.499 10.866 19.841 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.370 12.043 22.624 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.160 13.247 23.080 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.840 12.283 20.486 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.110 13.386 21.839 1.00 0.00 H new ATOM 1376 N VAL A 91 3.254 6.047 20.675 1.00 0.00 N ATOM 1377 CA VAL A 91 2.077 5.747 21.430 1.00 0.00 C ATOM 1378 C VAL A 91 2.249 4.367 21.964 1.00 0.00 C ATOM 1379 O VAL A 91 1.878 4.009 23.080 1.00 0.00 O ATOM 1380 CB VAL A 91 0.818 5.740 20.614 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.381 5.091 21.326 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.480 7.197 20.256 1.00 0.00 C ATOM 0 H VAL A 91 3.079 6.025 19.670 1.00 0.00 H new ATOM 0 HA VAL A 91 1.971 6.518 22.193 1.00 0.00 H new ATOM 0 HB VAL A 91 1.001 5.133 19.728 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.253 5.124 20.673 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.145 4.054 21.564 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.596 5.635 22.246 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.433 7.223 19.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.334 7.772 21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.299 7.630 19.682 1.00 0.00 H new ATOM 1392 N PHE A 92 2.787 3.479 21.108 1.00 0.00 N ATOM 1393 CA PHE A 92 3.011 2.096 21.394 1.00 0.00 C ATOM 1394 C PHE A 92 3.991 1.870 22.494 1.00 0.00 C ATOM 1395 O PHE A 92 3.933 0.946 23.303 1.00 0.00 O ATOM 1396 CB PHE A 92 3.277 1.270 20.124 1.00 0.00 C ATOM 1397 CG PHE A 92 2.106 1.226 19.204 1.00 0.00 C ATOM 1398 CD1 PHE A 92 0.794 1.369 19.589 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.344 0.979 17.873 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.224 1.237 18.674 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.305 0.839 16.983 1.00 0.00 C ATOM 1402 CZ PHE A 92 -0.017 0.940 17.348 1.00 0.00 C ATOM 0 H PHE A 92 3.081 3.741 20.167 1.00 0.00 H new ATOM 0 HA PHE A 92 2.074 1.709 21.794 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.132 1.691 19.595 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.547 0.253 20.408 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.560 1.587 20.621 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.361 0.894 17.521 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.240 1.374 19.015 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.539 0.640 15.947 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.828 0.797 16.649 1.00 0.00 H new ATOM 1412 N ASP A 93 5.010 2.747 22.526 1.00 0.00 N ATOM 1413 CA ASP A 93 6.030 2.871 23.520 1.00 0.00 C ATOM 1414 C ASP A 93 5.473 3.577 24.708 1.00 0.00 C ATOM 1415 O ASP A 93 5.551 4.803 24.774 1.00 0.00 O ATOM 1416 CB ASP A 93 7.240 3.592 22.901 1.00 0.00 C ATOM 1417 CG ASP A 93 8.526 3.209 23.619 1.00 0.00 C ATOM 1418 OD1 ASP A 93 8.402 2.392 24.571 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.561 3.894 23.403 1.00 0.00 O ATOM 0 H ASP A 93 5.129 3.435 21.782 1.00 0.00 H new ATOM 0 HA ASP A 93 6.373 1.895 23.863 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.319 3.337 21.844 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.094 4.671 22.958 1.00 0.00 H new ATOM 1424 N LYS A 94 5.086 2.792 25.729 1.00 0.00 N ATOM 1425 CA LYS A 94 4.732 3.282 27.025 1.00 0.00 C ATOM 1426 C LYS A 94 5.790 3.761 27.958 1.00 0.00 C ATOM 1427 O LYS A 94 5.615 4.784 28.619 1.00 0.00 O ATOM 1428 CB LYS A 94 3.993 2.211 27.844 1.00 0.00 C ATOM 1429 CG LYS A 94 2.850 1.542 27.077 1.00 0.00 C ATOM 1430 CD LYS A 94 1.793 2.479 26.489 1.00 0.00 C ATOM 1431 CE LYS A 94 0.882 1.761 25.491 1.00 0.00 C ATOM 1432 NZ LYS A 94 0.152 2.824 24.766 1.00 0.00 N ATOM 0 H LYS A 94 5.017 1.777 25.649 1.00 0.00 H new ATOM 0 HA LYS A 94 4.153 4.153 26.718 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.706 1.448 28.158 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.595 2.667 28.750 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.279 0.956 26.264 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.352 0.841 27.747 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.190 2.896 27.295 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.286 3.316 25.993 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.464 1.148 24.802 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.190 1.094 26.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.806 2.492 24.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.089 3.672 25.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.659 3.056 23.888 1.00 0.00 H new ATOM 1446 N ASP A 95 6.968 3.112 27.971 1.00 0.00 N ATOM 1447 CA ASP A 95 8.081 3.524 28.768 1.00 0.00 C ATOM 1448 C ASP A 95 8.909 4.638 28.226 1.00 0.00 C ATOM 1449 O ASP A 95 9.689 5.261 28.945 1.00 0.00 O ATOM 1450 CB ASP A 95 8.902 2.233 28.917 1.00 0.00 C ATOM 1451 CG ASP A 95 9.355 1.585 27.616 1.00 0.00 C ATOM 1452 OD1 ASP A 95 8.538 0.774 27.102 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.467 1.816 27.070 1.00 0.00 O ATOM 0 H ASP A 95 7.151 2.279 27.412 1.00 0.00 H new ATOM 0 HA ASP A 95 7.728 3.956 29.704 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.784 2.453 29.519 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.308 1.509 29.475 1.00 0.00 H new ATOM 1458 N GLY A 96 8.772 4.898 26.914 1.00 0.00 N ATOM 1459 CA GLY A 96 9.347 6.003 26.211 1.00 0.00 C ATOM 1460 C GLY A 96 10.790 5.886 25.855 1.00 0.00 C ATOM 1461 O GLY A 96 11.390 6.912 25.539 1.00 0.00 O ATOM 0 H GLY A 96 8.222 4.294 26.303 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.780 6.155 25.293 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.217 6.899 26.818 1.00 0.00 H new ATOM 1465 N ASN A 97 11.459 4.720 25.910 1.00 0.00 N ATOM 1466 CA ASN A 97 12.863 4.599 25.670 1.00 0.00 C ATOM 1467 C ASN A 97 13.200 4.844 24.240 1.00 0.00 C ATOM 1468 O ASN A 97 14.303 5.350 24.041 1.00 0.00 O ATOM 1469 CB ASN A 97 13.488 3.252 26.072 1.00 0.00 C ATOM 1470 CG ASN A 97 12.996 1.984 25.389 1.00 0.00 C ATOM 1471 OD1 ASN A 97 11.985 1.997 24.689 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.790 0.892 25.556 1.00 0.00 N ATOM 0 H ASN A 97 11.007 3.832 26.129 1.00 0.00 H new ATOM 0 HA ASN A 97 13.290 5.364 26.318 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.562 3.323 25.903 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.342 3.127 27.145 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.559 0.017 25.086 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.616 0.948 26.152 1.00 0.00 H new ATOM 1479 N GLY A 98 12.341 4.498 23.264 1.00 0.00 N ATOM 1480 CA GLY A 98 12.463 4.869 21.888 1.00 0.00 C ATOM 1481 C GLY A 98 12.546 3.648 21.037 1.00 0.00 C ATOM 1482 O GLY A 98 12.458 3.767 19.816 1.00 0.00 O ATOM 0 H GLY A 98 11.515 3.927 23.446 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.607 5.474 21.588 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.352 5.483 21.746 1.00 0.00 H new ATOM 1486 N TYR A 99 12.643 2.476 21.688 1.00 0.00 N ATOM 1487 CA TYR A 99 12.490 1.199 21.063 1.00 0.00 C ATOM 1488 C TYR A 99 11.274 0.450 21.488 1.00 0.00 C ATOM 1489 O TYR A 99 10.673 0.679 22.537 1.00 0.00 O ATOM 1490 CB TYR A 99 13.712 0.302 21.327 1.00 0.00 C ATOM 1491 CG TYR A 99 14.990 0.953 20.921 1.00 0.00 C ATOM 1492 CD1 TYR A 99 15.695 1.817 21.726 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.385 0.679 19.633 1.00 0.00 C ATOM 1494 CE1 TYR A 99 16.879 2.373 21.304 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.471 1.393 19.184 1.00 0.00 C ATOM 1496 CZ TYR A 99 17.259 2.173 19.998 1.00 0.00 C ATOM 1497 OH TYR A 99 18.562 2.558 19.617 1.00 0.00 O ATOM 0 H TYR A 99 12.835 2.415 22.688 1.00 0.00 H new ATOM 0 HA TYR A 99 12.389 1.428 20.002 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.755 0.053 22.387 1.00 0.00 H new ATOM 0 HB3 TYR A 99 13.596 -0.636 20.784 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.312 2.063 22.706 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.877 -0.047 19.016 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.493 2.950 21.979 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.719 1.338 18.134 1.00 0.00 H new ATOM 0 HH TYR A 99 18.697 2.359 18.667 1.00 0.00 H new ATOM 1507 N ILE A 100 10.773 -0.452 20.625 1.00 0.00 N ATOM 1508 CA ILE A 100 9.677 -1.353 20.798 1.00 0.00 C ATOM 1509 C ILE A 100 10.395 -2.646 20.981 1.00 0.00 C ATOM 1510 O ILE A 100 10.914 -3.161 19.991 1.00 0.00 O ATOM 1511 CB ILE A 100 8.691 -1.459 19.672 1.00 0.00 C ATOM 1512 CG1 ILE A 100 7.738 -0.259 19.802 1.00 0.00 C ATOM 1513 CG2 ILE A 100 7.869 -2.759 19.644 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.576 -0.207 18.810 1.00 0.00 C ATOM 0 H ILE A 100 11.188 -0.559 19.699 1.00 0.00 H new ATOM 0 HA ILE A 100 9.034 -1.018 21.612 1.00 0.00 H new ATOM 0 HB ILE A 100 9.257 -1.466 18.741 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.327 -0.256 20.811 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.322 0.655 19.693 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.186 -2.740 18.795 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.541 -3.612 19.550 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.297 -2.848 20.567 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.975 0.682 19.000 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.967 -0.170 17.793 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.956 -1.096 18.929 1.00 0.00 H new ATOM 1526 N SER A 101 10.458 -3.289 22.160 1.00 0.00 N ATOM 1527 CA SER A 101 10.931 -4.636 22.230 1.00 0.00 C ATOM 1528 C SER A 101 10.070 -5.637 21.540 1.00 0.00 C ATOM 1529 O SER A 101 8.886 -5.397 21.308 1.00 0.00 O ATOM 1530 CB SER A 101 11.140 -5.125 23.674 1.00 0.00 C ATOM 1531 OG SER A 101 9.989 -5.361 24.470 1.00 0.00 O ATOM 0 H SER A 101 10.185 -2.883 23.055 1.00 0.00 H new ATOM 0 HA SER A 101 11.884 -4.578 21.704 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.714 -6.051 23.633 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.758 -4.390 24.190 1.00 0.00 H new ATOM 0 HG SER A 101 10.264 -5.668 25.359 1.00 0.00 H new ATOM 1537 N ALA A 102 10.577 -6.846 21.238 1.00 0.00 N ATOM 1538 CA ALA A 102 9.680 -7.851 20.758 1.00 0.00 C ATOM 1539 C ALA A 102 8.528 -8.216 21.629 1.00 0.00 C ATOM 1540 O ALA A 102 7.503 -8.661 21.115 1.00 0.00 O ATOM 1541 CB ALA A 102 10.483 -9.133 20.479 1.00 0.00 C ATOM 0 H ALA A 102 11.556 -7.120 21.320 1.00 0.00 H new ATOM 0 HA ALA A 102 9.230 -7.401 19.873 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.812 -9.910 20.112 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.246 -8.928 19.728 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.960 -9.471 21.399 1.00 0.00 H new ATOM 1547 N ALA A 103 8.596 -8.041 22.961 1.00 0.00 N ATOM 1548 CA ALA A 103 7.476 -8.113 23.847 1.00 0.00 C ATOM 1549 C ALA A 103 6.518 -6.980 23.707 1.00 0.00 C ATOM 1550 O ALA A 103 5.318 -7.231 23.804 1.00 0.00 O ATOM 1551 CB ALA A 103 7.932 -8.279 25.306 1.00 0.00 C ATOM 0 H ALA A 103 9.473 -7.840 23.442 1.00 0.00 H new ATOM 0 HA ALA A 103 6.922 -9.003 23.549 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.059 -8.331 25.956 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.512 -9.197 25.404 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.549 -7.427 25.594 1.00 0.00 H new ATOM 1557 N GLU A 104 6.941 -5.725 23.472 1.00 0.00 N ATOM 1558 CA GLU A 104 6.018 -4.653 23.262 1.00 0.00 C ATOM 1559 C GLU A 104 5.339 -4.874 21.954 1.00 0.00 C ATOM 1560 O GLU A 104 4.222 -4.398 21.757 1.00 0.00 O ATOM 1561 CB GLU A 104 6.775 -3.314 23.250 1.00 0.00 C ATOM 1562 CG GLU A 104 7.427 -3.016 24.601 1.00 0.00 C ATOM 1563 CD GLU A 104 8.325 -1.789 24.554 1.00 0.00 C ATOM 1564 OE1 GLU A 104 7.886 -0.624 24.357 1.00 0.00 O ATOM 1565 OE2 GLU A 104 9.573 -1.956 24.545 1.00 0.00 O ATOM 0 H GLU A 104 7.923 -5.452 23.427 1.00 0.00 H new ATOM 0 HA GLU A 104 5.279 -4.623 24.063 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.541 -3.337 22.474 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.086 -2.509 22.994 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.650 -2.866 25.351 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.012 -3.879 24.917 1.00 0.00 H new ATOM 1572 N LEU A 105 5.891 -5.692 21.040 1.00 0.00 N ATOM 1573 CA LEU A 105 5.309 -5.947 19.759 1.00 0.00 C ATOM 1574 C LEU A 105 4.197 -6.925 19.924 1.00 0.00 C ATOM 1575 O LEU A 105 3.195 -6.919 19.210 1.00 0.00 O ATOM 1576 CB LEU A 105 6.409 -6.337 18.758 1.00 0.00 C ATOM 1577 CG LEU A 105 6.076 -6.341 17.257 1.00 0.00 C ATOM 1578 CD1 LEU A 105 5.220 -5.157 16.774 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.358 -6.587 16.443 1.00 0.00 C ATOM 0 H LEU A 105 6.767 -6.190 21.197 1.00 0.00 H new ATOM 0 HA LEU A 105 4.852 -5.057 19.327 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.248 -5.658 18.908 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.756 -7.336 19.022 1.00 0.00 H new ATOM 0 HG LEU A 105 5.401 -7.178 17.075 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.040 -5.251 15.703 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.267 -5.157 17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.746 -4.223 16.973 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.119 -6.589 15.380 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.079 -5.796 16.651 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.786 -7.550 16.721 1.00 0.00 H new ATOM 1591 N ARG A 106 4.450 -7.879 20.837 1.00 0.00 N ATOM 1592 CA ARG A 106 3.364 -8.766 21.118 1.00 0.00 C ATOM 1593 C ARG A 106 2.304 -8.216 22.009 1.00 0.00 C ATOM 1594 O ARG A 106 1.122 -8.384 21.714 1.00 0.00 O ATOM 1595 CB ARG A 106 3.943 -10.080 21.670 1.00 0.00 C ATOM 1596 CG ARG A 106 3.003 -11.268 21.887 1.00 0.00 C ATOM 1597 CD ARG A 106 3.611 -12.608 22.306 1.00 0.00 C ATOM 1598 NE ARG A 106 2.465 -13.537 22.517 1.00 0.00 N ATOM 1599 CZ ARG A 106 2.597 -14.734 23.159 1.00 0.00 C ATOM 1600 NH1 ARG A 106 3.769 -15.234 23.647 1.00 0.00 N ATOM 1601 NH2 ARG A 106 1.478 -15.505 23.295 1.00 0.00 N ATOM 0 H ARG A 106 5.323 -8.032 21.342 1.00 0.00 H new ATOM 0 HA ARG A 106 2.839 -8.933 20.177 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.732 -10.404 20.991 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.417 -9.856 22.626 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.275 -10.981 22.646 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.451 -11.429 20.961 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.283 -12.988 21.537 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.198 -12.501 23.218 1.00 0.00 H new ATOM 0 HE ARG A 106 1.545 -13.267 22.168 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.633 -14.702 23.543 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.781 -16.140 24.116 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.586 -15.179 22.923 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.534 -16.407 23.769 1.00 0.00 H new ATOM 1615 N HIS A 107 2.683 -7.601 23.144 1.00 0.00 N ATOM 1616 CA HIS A 107 1.733 -6.983 24.014 1.00 0.00 C ATOM 1617 C HIS A 107 0.960 -5.885 23.369 1.00 0.00 C ATOM 1618 O HIS A 107 -0.239 -5.763 23.613 1.00 0.00 O ATOM 1619 CB HIS A 107 2.457 -6.340 25.209 1.00 0.00 C ATOM 1620 CG HIS A 107 1.561 -5.654 26.197 1.00 0.00 C ATOM 1621 ND1 HIS A 107 1.031 -6.236 27.330 1.00 0.00 N ATOM 1622 CD2 HIS A 107 1.123 -4.370 26.299 1.00 0.00 C ATOM 1623 CE1 HIS A 107 0.395 -5.262 28.036 1.00 0.00 C ATOM 1624 NE2 HIS A 107 0.395 -4.086 27.436 1.00 0.00 N ATOM 0 H HIS A 107 3.651 -7.532 23.459 1.00 0.00 H new ATOM 0 HA HIS A 107 1.051 -7.782 24.307 1.00 0.00 H new ATOM 0 HB2 HIS A 107 3.024 -7.112 25.730 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.178 -5.616 24.831 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.330 -3.626 25.544 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.066 -5.435 28.997 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.028 -3.207 27.732 1.00 0.00 H new ATOM 1632 N VAL A 108 1.493 -4.972 22.537 1.00 0.00 N ATOM 1633 CA VAL A 108 0.776 -3.775 22.225 1.00 0.00 C ATOM 1634 C VAL A 108 -0.166 -4.040 21.102 1.00 0.00 C ATOM 1635 O VAL A 108 -1.329 -3.641 21.143 1.00 0.00 O ATOM 1636 CB VAL A 108 1.650 -2.578 21.991 1.00 0.00 C ATOM 1637 CG1 VAL A 108 0.888 -1.285 21.656 1.00 0.00 C ATOM 1638 CG2 VAL A 108 2.498 -2.197 23.217 1.00 0.00 C ATOM 0 H VAL A 108 2.404 -5.059 22.087 1.00 0.00 H new ATOM 0 HA VAL A 108 0.200 -3.498 23.108 1.00 0.00 H new ATOM 0 HB VAL A 108 2.255 -2.912 21.148 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.599 -0.473 21.503 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.304 -1.432 20.748 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.220 -1.032 22.480 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.107 -1.324 22.981 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.842 -1.966 24.056 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.147 -3.031 23.484 1.00 0.00 H new ATOM 1648 N MET A 109 0.254 -4.889 20.146 1.00 0.00 N ATOM 1649 CA MET A 109 -0.560 -5.371 19.073 1.00 0.00 C ATOM 1650 C MET A 109 -1.630 -6.312 19.511 1.00 0.00 C ATOM 1651 O MET A 109 -2.622 -6.489 18.806 1.00 0.00 O ATOM 1652 CB MET A 109 0.190 -5.944 17.860 1.00 0.00 C ATOM 1653 CG MET A 109 0.649 -4.844 16.899 1.00 0.00 C ATOM 1654 SD MET A 109 1.697 -3.509 17.549 1.00 0.00 S ATOM 1655 CE MET A 109 2.129 -2.732 15.965 1.00 0.00 C ATOM 0 H MET A 109 1.205 -5.256 20.120 1.00 0.00 H new ATOM 0 HA MET A 109 -1.028 -4.451 18.722 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.056 -6.510 18.203 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.458 -6.642 17.330 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.189 -5.322 16.082 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.242 -4.387 16.468 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.779 -1.876 16.145 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.647 -3.455 15.334 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.220 -2.398 15.464 1.00 0.00 H new ATOM 1665 N THR A 110 -1.504 -6.974 20.674 1.00 0.00 N ATOM 1666 CA THR A 110 -2.543 -7.764 21.260 1.00 0.00 C ATOM 1667 C THR A 110 -3.619 -6.911 21.837 1.00 0.00 C ATOM 1668 O THR A 110 -4.769 -7.017 21.413 1.00 0.00 O ATOM 1669 CB THR A 110 -2.007 -8.663 22.335 1.00 0.00 C ATOM 1670 OG1 THR A 110 -1.143 -9.656 21.802 1.00 0.00 O ATOM 1671 CG2 THR A 110 -3.154 -9.445 22.997 1.00 0.00 C ATOM 0 H THR A 110 -0.647 -6.959 21.227 1.00 0.00 H new ATOM 0 HA THR A 110 -2.960 -8.372 20.457 1.00 0.00 H new ATOM 0 HB THR A 110 -1.481 -8.016 23.038 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.217 -9.336 21.835 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.751 -10.093 23.775 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.864 -8.746 23.439 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.662 -10.051 22.247 1.00 0.00 H new ATOM 1679 N ASN A 111 -3.271 -5.915 22.671 1.00 0.00 N ATOM 1680 CA ASN A 111 -4.220 -5.086 23.347 1.00 0.00 C ATOM 1681 C ASN A 111 -4.440 -3.818 22.595 1.00 0.00 C ATOM 1682 O ASN A 111 -4.439 -2.727 23.163 1.00 0.00 O ATOM 1683 CB ASN A 111 -3.705 -4.748 24.756 1.00 0.00 C ATOM 1684 CG ASN A 111 -3.563 -5.997 25.613 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -4.528 -6.717 25.864 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -2.334 -6.306 26.107 1.00 0.00 N ATOM 0 H ASN A 111 -2.301 -5.679 22.881 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.162 -5.630 23.415 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.741 -4.246 24.681 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.391 -4.051 25.238 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.211 -7.136 26.687 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.535 -5.708 25.898 1.00 0.00 H new ATOM 1693 N LEU A 112 -4.837 -3.922 21.314 1.00 0.00 N ATOM 1694 CA LEU A 112 -4.978 -2.820 20.414 1.00 0.00 C ATOM 1695 C LEU A 112 -6.281 -2.097 20.386 1.00 0.00 C ATOM 1696 O LEU A 112 -6.317 -0.936 20.790 1.00 0.00 O ATOM 1697 CB LEU A 112 -4.422 -3.066 19.002 1.00 0.00 C ATOM 1698 CG LEU A 112 -3.982 -1.872 18.139 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -2.586 -1.421 18.603 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -3.794 -2.289 16.671 1.00 0.00 C ATOM 0 H LEU A 112 -5.071 -4.818 20.886 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.316 -2.107 20.906 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.564 -3.730 19.101 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.183 -3.610 18.442 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.744 -1.098 18.233 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.258 -0.574 18.000 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.629 -1.126 19.651 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.880 -2.244 18.486 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.483 -1.425 16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.030 -3.064 16.608 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.735 -2.674 16.279 1.00 0.00 H new ATOM 1712 N GLY A 113 -7.316 -2.780 19.865 1.00 0.00 N ATOM 1713 CA GLY A 113 -8.625 -2.310 19.533 1.00 0.00 C ATOM 1714 C GLY A 113 -9.009 -2.867 18.205 1.00 0.00 C ATOM 1715 O GLY A 113 -9.987 -3.612 18.226 1.00 0.00 O ATOM 0 H GLY A 113 -7.221 -3.773 19.654 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.342 -2.619 20.294 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.640 -1.220 19.505 1.00 0.00 H new ATOM 1719 N GLU A 114 -8.271 -2.458 17.157 1.00 0.00 N ATOM 1720 CA GLU A 114 -8.206 -3.172 15.920 1.00 0.00 C ATOM 1721 C GLU A 114 -7.612 -4.534 16.036 1.00 0.00 C ATOM 1722 O GLU A 114 -6.628 -4.680 16.759 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.518 -2.306 14.851 1.00 0.00 C ATOM 1724 CG GLU A 114 -8.343 -1.051 14.561 1.00 0.00 C ATOM 1725 CD GLU A 114 -7.686 -0.140 13.533 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -6.860 -0.622 12.712 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -7.940 1.094 13.544 1.00 0.00 O ATOM 0 H GLU A 114 -7.705 -1.609 17.170 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.231 -3.362 15.602 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.522 -2.022 15.191 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.390 -2.883 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.330 -1.345 14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.493 -0.497 15.488 1.00 0.00 H new ATOM 1734 N LYS A 115 -8.147 -5.576 15.374 1.00 0.00 N ATOM 1735 CA LYS A 115 -7.996 -6.965 15.678 1.00 0.00 C ATOM 1736 C LYS A 115 -6.894 -7.684 14.979 1.00 0.00 C ATOM 1737 O LYS A 115 -6.821 -7.842 13.762 1.00 0.00 O ATOM 1738 CB LYS A 115 -9.292 -7.718 15.329 1.00 0.00 C ATOM 1739 CG LYS A 115 -10.398 -7.373 16.328 1.00 0.00 C ATOM 1740 CD LYS A 115 -11.615 -8.300 16.327 1.00 0.00 C ATOM 1741 CE LYS A 115 -11.234 -9.705 16.799 1.00 0.00 C ATOM 1742 NZ LYS A 115 -12.459 -10.533 16.868 1.00 0.00 N ATOM 0 H LYS A 115 -8.737 -5.431 14.554 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.753 -6.964 16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.611 -7.457 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -9.109 -8.792 15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -9.968 -7.371 17.330 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.739 -6.358 16.126 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.389 -7.891 16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.037 -8.351 15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.515 -10.152 16.113 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.755 -9.658 17.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.213 -11.491 17.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.129 -10.106 17.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.897 -10.584 15.926 1.00 0.00 H new ATOM 1756 N LEU A 116 -5.955 -8.160 15.817 1.00 0.00 N ATOM 1757 CA LEU A 116 -4.773 -8.792 15.319 1.00 0.00 C ATOM 1758 C LEU A 116 -4.517 -10.095 15.996 1.00 0.00 C ATOM 1759 O LEU A 116 -4.518 -10.226 17.218 1.00 0.00 O ATOM 1760 CB LEU A 116 -3.429 -8.061 15.482 1.00 0.00 C ATOM 1761 CG LEU A 116 -3.281 -6.969 14.408 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -3.869 -5.611 14.826 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -1.779 -6.690 14.232 1.00 0.00 C ATOM 0 H LEU A 116 -6.014 -8.108 16.834 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.028 -8.842 14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.368 -7.615 16.475 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.608 -8.773 15.402 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.797 -7.337 13.521 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.729 -4.890 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.934 -5.723 15.031 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.362 -5.256 15.723 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.639 -5.918 13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.359 -6.351 15.179 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.274 -7.603 13.917 1.00 0.00 H new ATOM 1775 N THR A 117 -4.351 -11.242 15.312 1.00 0.00 N ATOM 1776 CA THR A 117 -4.341 -12.563 15.859 1.00 0.00 C ATOM 1777 C THR A 117 -2.955 -12.831 16.336 1.00 0.00 C ATOM 1778 O THR A 117 -2.026 -12.059 16.107 1.00 0.00 O ATOM 1779 CB THR A 117 -4.782 -13.599 14.868 1.00 0.00 C ATOM 1780 OG1 THR A 117 -4.113 -13.564 13.616 1.00 0.00 O ATOM 1781 CG2 THR A 117 -6.245 -13.374 14.449 1.00 0.00 C ATOM 0 H THR A 117 -4.214 -11.244 14.301 1.00 0.00 H new ATOM 0 HA THR A 117 -5.055 -12.624 16.680 1.00 0.00 H new ATOM 0 HB THR A 117 -4.581 -14.529 15.400 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.567 -14.162 12.986 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.539 -14.139 13.730 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.888 -13.434 15.327 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.345 -12.389 13.993 1.00 0.00 H new ATOM 1789 N ASP A 118 -2.734 -13.984 16.992 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.443 -14.569 17.181 1.00 0.00 C ATOM 1791 C ASP A 118 -0.673 -14.809 15.928 1.00 0.00 C ATOM 1792 O ASP A 118 0.545 -14.749 15.765 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.490 -15.832 18.057 1.00 0.00 C ATOM 1794 CG ASP A 118 -2.158 -15.600 19.405 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -1.448 -15.192 20.363 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -3.362 -15.888 19.636 1.00 0.00 O ATOM 0 H ASP A 118 -3.487 -14.532 17.408 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.886 -13.803 17.720 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.026 -16.617 17.523 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.474 -16.192 18.219 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.410 -15.267 14.901 1.00 0.00 N ATOM 1802 CA GLU A 119 -0.925 -15.492 13.575 1.00 0.00 C ATOM 1803 C GLU A 119 -0.400 -14.225 12.992 1.00 0.00 C ATOM 1804 O GLU A 119 0.782 -14.202 12.653 1.00 0.00 O ATOM 1805 CB GLU A 119 -1.920 -16.046 12.541 1.00 0.00 C ATOM 1806 CG GLU A 119 -1.537 -16.080 11.060 1.00 0.00 C ATOM 1807 CD GLU A 119 -2.532 -16.881 10.232 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.710 -16.463 10.070 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.134 -17.985 9.774 1.00 0.00 O ATOM 0 H GLU A 119 -2.400 -15.493 15.002 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.171 -16.262 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.163 -17.066 12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.837 -15.462 12.627 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.483 -15.061 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.543 -16.514 10.952 1.00 0.00 H new ATOM 1816 N GLU A 120 -1.143 -13.104 12.994 1.00 0.00 N ATOM 1817 CA GLU A 120 -0.728 -11.827 12.503 1.00 0.00 C ATOM 1818 C GLU A 120 0.441 -11.292 13.255 1.00 0.00 C ATOM 1819 O GLU A 120 1.364 -10.752 12.646 1.00 0.00 O ATOM 1820 CB GLU A 120 -1.791 -10.719 12.580 1.00 0.00 C ATOM 1821 CG GLU A 120 -1.612 -9.527 11.637 1.00 0.00 C ATOM 1822 CD GLU A 120 -1.686 -9.865 10.155 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -2.765 -10.412 9.802 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -0.715 -9.615 9.393 1.00 0.00 O ATOM 0 H GLU A 120 -2.094 -13.090 13.362 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.499 -12.044 11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.764 -11.167 12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.817 -10.343 13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.377 -8.785 11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.647 -9.063 11.841 1.00 0.00 H new ATOM 1831 N VAL A 121 0.477 -11.419 14.593 1.00 0.00 N ATOM 1832 CA VAL A 121 1.515 -11.067 15.511 1.00 0.00 C ATOM 1833 C VAL A 121 2.803 -11.793 15.323 1.00 0.00 C ATOM 1834 O VAL A 121 3.808 -11.174 14.975 1.00 0.00 O ATOM 1835 CB VAL A 121 0.983 -11.119 16.912 1.00 0.00 C ATOM 1836 CG1 VAL A 121 2.130 -11.160 17.937 1.00 0.00 C ATOM 1837 CG2 VAL A 121 0.102 -9.915 17.285 1.00 0.00 C ATOM 0 H VAL A 121 -0.321 -11.818 15.088 1.00 0.00 H new ATOM 0 HA VAL A 121 1.805 -10.040 15.289 1.00 0.00 H new ATOM 0 HB VAL A 121 0.379 -12.026 16.941 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.716 -11.197 18.945 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.742 -12.045 17.763 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.745 -10.267 17.830 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.246 -10.023 18.312 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.682 -8.997 17.193 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.756 -9.870 16.614 1.00 0.00 H new ATOM 1847 N ASP A 122 2.882 -13.135 15.279 1.00 0.00 N ATOM 1848 CA ASP A 122 3.967 -14.015 14.975 1.00 0.00 C ATOM 1849 C ASP A 122 4.485 -13.778 13.598 1.00 0.00 C ATOM 1850 O ASP A 122 5.700 -13.736 13.413 1.00 0.00 O ATOM 1851 CB ASP A 122 3.659 -15.512 15.154 1.00 0.00 C ATOM 1852 CG ASP A 122 3.737 -16.014 16.588 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.880 -15.970 17.116 1.00 0.00 O ATOM 1854 OD2 ASP A 122 2.757 -16.458 17.245 1.00 0.00 O ATOM 0 H ASP A 122 2.048 -13.682 15.492 1.00 0.00 H new ATOM 0 HA ASP A 122 4.728 -13.768 15.716 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.659 -15.711 14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.356 -16.087 14.544 1.00 0.00 H new ATOM 1859 N GLU A 123 3.566 -13.571 12.638 1.00 0.00 N ATOM 1860 CA GLU A 123 3.929 -13.255 11.291 1.00 0.00 C ATOM 1861 C GLU A 123 4.510 -11.888 11.180 1.00 0.00 C ATOM 1862 O GLU A 123 5.381 -11.692 10.334 1.00 0.00 O ATOM 1863 CB GLU A 123 2.677 -13.196 10.399 1.00 0.00 C ATOM 1864 CG GLU A 123 2.193 -14.565 9.915 1.00 0.00 C ATOM 1865 CD GLU A 123 3.041 -15.323 8.905 1.00 0.00 C ATOM 1866 OE1 GLU A 123 4.293 -15.240 9.021 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.480 -16.013 8.012 1.00 0.00 O ATOM 0 H GLU A 123 2.560 -13.623 12.798 1.00 0.00 H new ATOM 0 HA GLU A 123 4.639 -14.025 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.872 -12.712 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.890 -12.570 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.074 -15.202 10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.202 -14.431 9.481 1.00 0.00 H new ATOM 1874 N MET A 124 4.223 -10.953 12.103 1.00 0.00 N ATOM 1875 CA MET A 124 4.767 -9.632 12.044 1.00 0.00 C ATOM 1876 C MET A 124 6.177 -9.578 12.522 1.00 0.00 C ATOM 1877 O MET A 124 7.120 -9.001 11.981 1.00 0.00 O ATOM 1878 CB MET A 124 3.870 -8.742 12.920 1.00 0.00 C ATOM 1879 CG MET A 124 4.154 -7.245 12.779 1.00 0.00 C ATOM 1880 SD MET A 124 3.013 -6.079 13.581 1.00 0.00 S ATOM 1881 CE MET A 124 1.602 -6.183 12.443 1.00 0.00 C ATOM 0 H MET A 124 3.607 -11.115 12.899 1.00 0.00 H new ATOM 0 HA MET A 124 4.786 -9.289 11.009 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.827 -8.930 12.663 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.998 -9.029 13.964 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.153 -7.057 13.171 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.179 -7.009 11.715 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.806 -5.524 12.789 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.916 -5.878 11.445 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.235 -7.209 12.411 1.00 0.00 H new ATOM 1891 N ILE A 125 6.395 -10.149 13.720 1.00 0.00 N ATOM 1892 CA ILE A 125 7.566 -10.347 14.517 1.00 0.00 C ATOM 1893 C ILE A 125 8.635 -10.960 13.680 1.00 0.00 C ATOM 1894 O ILE A 125 9.749 -10.451 13.571 1.00 0.00 O ATOM 1895 CB ILE A 125 7.263 -11.134 15.758 1.00 0.00 C ATOM 1896 CG1 ILE A 125 6.602 -10.158 16.746 1.00 0.00 C ATOM 1897 CG2 ILE A 125 8.451 -11.957 16.283 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.885 -10.894 17.877 1.00 0.00 C ATOM 0 H ILE A 125 5.593 -10.542 14.213 1.00 0.00 H new ATOM 0 HA ILE A 125 7.932 -9.383 14.870 1.00 0.00 H new ATOM 0 HB ILE A 125 6.559 -11.941 15.555 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.360 -9.497 17.166 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.890 -9.528 16.213 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.151 -12.497 17.181 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.766 -12.669 15.520 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.279 -11.290 16.520 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.432 -10.169 18.553 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.109 -11.535 17.459 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.602 -11.503 18.427 1.00 0.00 H new ATOM 1910 N ARG A 126 8.279 -12.034 12.952 1.00 0.00 N ATOM 1911 CA ARG A 126 9.097 -12.650 11.954 1.00 0.00 C ATOM 1912 C ARG A 126 9.701 -11.747 10.935 1.00 0.00 C ATOM 1913 O ARG A 126 10.786 -12.049 10.440 1.00 0.00 O ATOM 1914 CB ARG A 126 8.175 -13.633 11.211 1.00 0.00 C ATOM 1915 CG ARG A 126 8.736 -14.459 10.051 1.00 0.00 C ATOM 1916 CD ARG A 126 9.769 -15.516 10.446 1.00 0.00 C ATOM 1917 NE ARG A 126 10.339 -16.033 9.170 1.00 0.00 N ATOM 1918 CZ ARG A 126 11.299 -17.003 9.193 1.00 0.00 C ATOM 1919 NH1 ARG A 126 12.071 -17.254 10.290 1.00 0.00 N ATOM 1920 NH2 ARG A 126 11.744 -17.516 8.009 1.00 0.00 N ATOM 0 H ARG A 126 7.376 -12.495 13.065 1.00 0.00 H new ATOM 0 HA ARG A 126 9.947 -13.092 12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.779 -14.331 11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.330 -13.062 10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.908 -14.954 9.544 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.191 -13.781 9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.548 -15.084 11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.306 -16.319 11.020 1.00 0.00 H new ATOM 0 HE ARG A 126 10.011 -15.662 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.943 -16.706 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.776 -17.990 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.360 -17.174 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.461 -18.242 8.005 1.00 0.00 H new ATOM 1934 N GLU A 127 9.005 -10.729 10.398 1.00 0.00 N ATOM 1935 CA GLU A 127 9.565 -9.786 9.480 1.00 0.00 C ATOM 1936 C GLU A 127 10.207 -8.613 10.137 1.00 0.00 C ATOM 1937 O GLU A 127 10.968 -7.861 9.531 1.00 0.00 O ATOM 1938 CB GLU A 127 8.519 -9.314 8.455 1.00 0.00 C ATOM 1939 CG GLU A 127 8.071 -10.472 7.562 1.00 0.00 C ATOM 1940 CD GLU A 127 7.373 -10.088 6.265 1.00 0.00 C ATOM 1941 OE1 GLU A 127 6.466 -9.228 6.423 1.00 0.00 O ATOM 1942 OE2 GLU A 127 7.706 -10.541 5.137 1.00 0.00 O ATOM 0 H GLU A 127 8.022 -10.557 10.609 1.00 0.00 H new ATOM 0 HA GLU A 127 10.359 -10.325 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.657 -8.896 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.939 -8.517 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.946 -11.073 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.399 -11.109 8.138 1.00 0.00 H new ATOM 1949 N ALA A 128 9.958 -8.392 11.440 1.00 0.00 N ATOM 1950 CA ALA A 128 10.125 -7.158 12.143 1.00 0.00 C ATOM 1951 C ALA A 128 11.483 -6.591 12.377 1.00 0.00 C ATOM 1952 O ALA A 128 11.897 -5.484 12.036 1.00 0.00 O ATOM 1953 CB ALA A 128 9.359 -7.211 13.476 1.00 0.00 C ATOM 0 H ALA A 128 9.613 -9.135 12.048 1.00 0.00 H new ATOM 0 HA ALA A 128 9.720 -6.453 11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 128 9.489 -6.269 14.008 1.00 0.00 H new ATOM 0 HB2 ALA A 128 8.299 -7.374 13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 128 9.745 -8.028 14.085 1.00 0.00 H new ATOM 1959 N ASP A 129 12.348 -7.334 13.092 1.00 0.00 N ATOM 1960 CA ASP A 129 13.629 -6.889 13.544 1.00 0.00 C ATOM 1961 C ASP A 129 14.671 -7.398 12.608 1.00 0.00 C ATOM 1962 O ASP A 129 14.921 -8.597 12.499 1.00 0.00 O ATOM 1963 CB ASP A 129 13.832 -7.351 14.997 1.00 0.00 C ATOM 1964 CG ASP A 129 15.199 -7.001 15.568 1.00 0.00 C ATOM 1965 OD1 ASP A 129 15.952 -6.170 14.994 1.00 0.00 O ATOM 1966 OD2 ASP A 129 15.523 -7.579 16.639 1.00 0.00 O ATOM 0 H ASP A 129 12.142 -8.294 13.368 1.00 0.00 H new ATOM 0 HA ASP A 129 13.703 -5.802 13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 129 13.061 -6.901 15.623 1.00 0.00 H new ATOM 0 HB3 ASP A 129 13.693 -8.431 15.048 1.00 0.00 H new ATOM 1971 N ILE A 130 15.417 -6.482 11.964 1.00 0.00 N ATOM 1972 CA ILE A 130 16.357 -6.673 10.903 1.00 0.00 C ATOM 1973 C ILE A 130 17.715 -6.951 11.451 1.00 0.00 C ATOM 1974 O ILE A 130 18.594 -7.642 10.937 1.00 0.00 O ATOM 1975 CB ILE A 130 16.247 -5.544 9.922 1.00 0.00 C ATOM 1976 CG1 ILE A 130 14.806 -5.263 9.464 1.00 0.00 C ATOM 1977 CG2 ILE A 130 17.120 -5.750 8.672 1.00 0.00 C ATOM 1978 CD1 ILE A 130 14.098 -6.408 8.742 1.00 0.00 C ATOM 0 H ILE A 130 15.351 -5.497 12.219 1.00 0.00 H new ATOM 0 HA ILE A 130 16.127 -7.566 10.322 1.00 0.00 H new ATOM 0 HB ILE A 130 16.610 -4.681 10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.215 -4.990 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.818 -4.396 8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.998 -4.901 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 130 18.166 -5.832 8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 130 16.815 -6.664 8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.090 -6.097 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.655 -6.671 7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.042 -7.275 9.401 1.00 0.00 H new ATOM 1990 N ASP A 131 17.900 -6.601 12.736 1.00 0.00 N ATOM 1991 CA ASP A 131 18.992 -7.028 13.555 1.00 0.00 C ATOM 1992 C ASP A 131 18.895 -8.407 14.112 1.00 0.00 C ATOM 1993 O ASP A 131 19.797 -9.227 13.951 1.00 0.00 O ATOM 1994 CB ASP A 131 19.305 -6.014 14.668 1.00 0.00 C ATOM 1995 CG ASP A 131 19.526 -4.585 14.193 1.00 0.00 C ATOM 1996 OD1 ASP A 131 20.640 -4.379 13.641 1.00 0.00 O ATOM 1997 OD2 ASP A 131 18.695 -3.674 14.450 1.00 0.00 O ATOM 0 H ASP A 131 17.253 -5.987 13.230 1.00 0.00 H new ATOM 0 HA ASP A 131 19.826 -7.072 12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 131 18.484 -6.020 15.385 1.00 0.00 H new ATOM 0 HB3 ASP A 131 20.196 -6.346 15.201 1.00 0.00 H new ATOM 2002 N GLY A 132 17.858 -8.660 14.932 1.00 0.00 N ATOM 2003 CA GLY A 132 18.039 -9.801 15.775 1.00 0.00 C ATOM 2004 C GLY A 132 18.374 -9.401 17.170 1.00 0.00 C ATOM 2005 O GLY A 132 18.806 -10.223 17.977 1.00 0.00 O ATOM 0 H GLY A 132 16.984 -8.140 15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 132 17.130 -10.402 15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.835 -10.428 15.374 1.00 0.00 H new ATOM 2009 N ASP A 133 18.375 -8.104 17.527 1.00 0.00 N ATOM 2010 CA ASP A 133 18.832 -7.683 18.815 1.00 0.00 C ATOM 2011 C ASP A 133 17.790 -7.911 19.855 1.00 0.00 C ATOM 2012 O ASP A 133 18.097 -8.276 20.989 1.00 0.00 O ATOM 2013 CB ASP A 133 19.181 -6.193 18.660 1.00 0.00 C ATOM 2014 CG ASP A 133 18.000 -5.249 18.485 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.302 -4.951 19.491 1.00 0.00 O ATOM 2016 OD2 ASP A 133 17.716 -4.767 17.356 1.00 0.00 O ATOM 0 H ASP A 133 18.059 -7.346 16.922 1.00 0.00 H new ATOM 0 HA ASP A 133 19.699 -8.254 19.147 1.00 0.00 H new ATOM 0 HB2 ASP A 133 19.746 -5.879 19.538 1.00 0.00 H new ATOM 0 HB3 ASP A 133 19.841 -6.082 17.800 1.00 0.00 H new ATOM 2021 N GLY A 134 16.514 -7.925 19.431 1.00 0.00 N ATOM 2022 CA GLY A 134 15.331 -8.102 20.215 1.00 0.00 C ATOM 2023 C GLY A 134 14.313 -7.072 19.866 1.00 0.00 C ATOM 2024 O GLY A 134 13.113 -7.332 19.941 1.00 0.00 O ATOM 0 H GLY A 134 16.292 -7.800 18.443 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.922 -9.098 20.046 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.577 -8.034 21.275 1.00 0.00 H new ATOM 2028 N GLN A 135 14.729 -5.844 19.509 1.00 0.00 N ATOM 2029 CA GLN A 135 13.870 -4.701 19.530 1.00 0.00 C ATOM 2030 C GLN A 135 13.789 -4.093 18.172 1.00 0.00 C ATOM 2031 O GLN A 135 14.696 -4.152 17.343 1.00 0.00 O ATOM 2032 CB GLN A 135 14.382 -3.631 20.509 1.00 0.00 C ATOM 2033 CG GLN A 135 14.862 -4.295 21.802 1.00 0.00 C ATOM 2034 CD GLN A 135 14.891 -3.373 23.013 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.007 -3.300 23.865 1.00 0.00 O ATOM 2036 NE2 GLN A 135 16.117 -2.804 23.163 1.00 0.00 N ATOM 0 H GLN A 135 15.680 -5.641 19.200 1.00 0.00 H new ATOM 0 HA GLN A 135 12.886 -5.041 19.854 1.00 0.00 H new ATOM 0 HB2 GLN A 135 15.198 -3.070 20.054 1.00 0.00 H new ATOM 0 HB3 GLN A 135 13.588 -2.917 20.729 1.00 0.00 H new ATOM 0 HG2 GLN A 135 14.213 -5.143 22.022 1.00 0.00 H new ATOM 0 HG3 GLN A 135 15.864 -4.693 21.641 1.00 0.00 H new ATOM 0 HE21 GLN A 135 16.815 -2.895 22.425 1.00 0.00 H new ATOM 0 HE22 GLN A 135 16.339 -2.287 24.014 1.00 0.00 H new ATOM 2045 N VAL A 136 12.652 -3.416 17.933 1.00 0.00 N ATOM 2046 CA VAL A 136 12.346 -2.639 16.772 1.00 0.00 C ATOM 2047 C VAL A 136 12.628 -1.203 17.054 1.00 0.00 C ATOM 2048 O VAL A 136 12.434 -0.666 18.143 1.00 0.00 O ATOM 2049 CB VAL A 136 10.917 -2.863 16.375 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.241 -1.800 15.493 1.00 0.00 C ATOM 2051 CG2 VAL A 136 10.910 -4.183 15.584 1.00 0.00 C ATOM 0 H VAL A 136 11.886 -3.413 18.607 1.00 0.00 H new ATOM 0 HA VAL A 136 12.971 -2.947 15.934 1.00 0.00 H new ATOM 0 HB VAL A 136 10.344 -2.844 17.302 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.213 -2.098 15.288 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.245 -0.841 16.011 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.786 -1.707 14.553 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.893 -4.409 15.262 1.00 0.00 H new ATOM 0 HG22 VAL A 136 11.555 -4.087 14.710 1.00 0.00 H new ATOM 0 HG23 VAL A 136 11.277 -4.990 16.219 1.00 0.00 H new ATOM 2061 N ASN A 137 13.304 -0.655 16.029 1.00 0.00 N ATOM 2062 CA ASN A 137 13.665 0.728 16.067 1.00 0.00 C ATOM 2063 C ASN A 137 12.698 1.556 15.292 1.00 0.00 C ATOM 2064 O ASN A 137 11.705 0.980 14.850 1.00 0.00 O ATOM 2065 CB ASN A 137 15.127 1.025 15.693 1.00 0.00 C ATOM 2066 CG ASN A 137 15.546 0.999 14.230 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.774 0.988 13.272 1.00 0.00 O ATOM 2068 ND2 ASN A 137 16.887 0.929 14.016 1.00 0.00 N ATOM 0 H ASN A 137 13.596 -1.157 15.190 1.00 0.00 H new ATOM 0 HA ASN A 137 13.600 1.018 17.116 1.00 0.00 H new ATOM 0 HB2 ASN A 137 15.370 2.013 16.085 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.752 0.308 16.225 1.00 0.00 H new ATOM 0 HD21 ASN A 137 17.249 0.868 13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.531 0.938 14.807 1.00 0.00 H new ATOM 2075 N TYR A 138 12.905 2.881 15.189 1.00 0.00 N ATOM 2076 CA TYR A 138 11.908 3.566 14.426 1.00 0.00 C ATOM 2077 C TYR A 138 11.886 3.128 13.003 1.00 0.00 C ATOM 2078 O TYR A 138 10.814 2.891 12.447 1.00 0.00 O ATOM 2079 CB TYR A 138 11.980 5.081 14.684 1.00 0.00 C ATOM 2080 CG TYR A 138 10.838 5.696 13.951 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.557 5.233 14.142 1.00 0.00 C ATOM 2082 CD2 TYR A 138 11.071 6.621 12.960 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.563 5.482 13.225 1.00 0.00 C ATOM 2084 CE2 TYR A 138 10.047 6.985 12.118 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.808 6.399 12.231 1.00 0.00 C ATOM 2086 OH TYR A 138 7.831 6.840 11.313 1.00 0.00 O ATOM 0 H TYR A 138 13.670 3.429 15.583 1.00 0.00 H new ATOM 0 HA TYR A 138 10.915 3.278 14.772 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.915 5.295 15.751 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.929 5.488 14.334 1.00 0.00 H new ATOM 0 HD1 TYR A 138 9.327 4.663 15.030 1.00 0.00 H new ATOM 0 HD2 TYR A 138 12.052 7.058 12.844 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.614 4.970 13.284 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.217 7.737 11.362 1.00 0.00 H new ATOM 0 HH TYR A 138 8.230 7.492 10.699 1.00 0.00 H new ATOM 2096 N GLU A 139 12.994 3.065 12.243 1.00 0.00 N ATOM 2097 CA GLU A 139 12.939 2.711 10.859 1.00 0.00 C ATOM 2098 C GLU A 139 12.571 1.291 10.597 1.00 0.00 C ATOM 2099 O GLU A 139 11.959 0.985 9.575 1.00 0.00 O ATOM 2100 CB GLU A 139 14.166 3.137 10.037 1.00 0.00 C ATOM 2101 CG GLU A 139 14.253 4.653 9.851 1.00 0.00 C ATOM 2102 CD GLU A 139 15.363 5.069 8.896 1.00 0.00 C ATOM 2103 OE1 GLU A 139 16.538 4.631 9.023 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.079 5.857 7.955 1.00 0.00 O ATOM 0 H GLU A 139 13.933 3.261 12.590 1.00 0.00 H new ATOM 0 HA GLU A 139 12.107 3.315 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.071 2.783 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.128 2.656 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.299 5.023 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.418 5.124 10.820 1.00 0.00 H new ATOM 2111 N GLU A 140 12.641 0.398 11.601 1.00 0.00 N ATOM 2112 CA GLU A 140 12.100 -0.925 11.549 1.00 0.00 C ATOM 2113 C GLU A 140 10.616 -0.911 11.679 1.00 0.00 C ATOM 2114 O GLU A 140 9.910 -1.632 10.976 1.00 0.00 O ATOM 2115 CB GLU A 140 12.670 -1.923 12.572 1.00 0.00 C ATOM 2116 CG GLU A 140 14.117 -2.301 12.251 1.00 0.00 C ATOM 2117 CD GLU A 140 14.835 -2.987 13.404 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.744 -2.497 14.561 1.00 0.00 O ATOM 2119 OE2 GLU A 140 15.647 -3.923 13.174 1.00 0.00 O ATOM 0 H GLU A 140 13.096 0.608 12.490 1.00 0.00 H new ATOM 0 HA GLU A 140 12.408 -1.281 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.621 -1.488 13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.054 -2.822 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.128 -2.960 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.667 -1.401 11.975 1.00 0.00 H new ATOM 2126 N PHE A 141 10.045 0.005 12.481 1.00 0.00 N ATOM 2127 CA PHE A 141 8.638 0.255 12.547 1.00 0.00 C ATOM 2128 C PHE A 141 8.116 0.778 11.253 1.00 0.00 C ATOM 2129 O PHE A 141 7.118 0.238 10.780 1.00 0.00 O ATOM 2130 CB PHE A 141 8.345 1.228 13.702 1.00 0.00 C ATOM 2131 CG PHE A 141 6.892 1.125 14.014 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.366 -0.025 14.554 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.048 2.181 13.759 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.008 -0.190 14.694 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.690 2.058 13.934 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.178 0.851 14.349 1.00 0.00 C ATOM 0 H PHE A 141 10.587 0.597 13.111 1.00 0.00 H new ATOM 0 HA PHE A 141 8.123 -0.686 12.738 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.944 0.976 14.577 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.606 2.248 13.420 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.032 -0.813 14.874 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.458 3.120 13.417 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.601 -1.118 15.067 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.035 2.897 13.748 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.108 0.719 14.405 1.00 0.00 H new ATOM 2146 N VAL A 142 8.808 1.718 10.584 1.00 0.00 N ATOM 2147 CA VAL A 142 8.525 2.028 9.217 1.00 0.00 C ATOM 2148 C VAL A 142 8.543 0.851 8.304 1.00 0.00 C ATOM 2149 O VAL A 142 7.561 0.604 7.605 1.00 0.00 O ATOM 2150 CB VAL A 142 9.386 3.085 8.592 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.996 3.396 7.137 1.00 0.00 C ATOM 2152 CG2 VAL A 142 9.429 4.334 9.489 1.00 0.00 C ATOM 0 H VAL A 142 9.566 2.265 10.992 1.00 0.00 H new ATOM 0 HA VAL A 142 7.512 2.418 9.312 1.00 0.00 H new ATOM 0 HB VAL A 142 10.401 2.693 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 142 9.655 4.168 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 142 9.091 2.493 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.965 3.748 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 142 10.057 5.094 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 142 8.420 4.725 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.841 4.069 10.463 1.00 0.00 H new ATOM 2162 N GLN A 143 9.651 0.091 8.241 1.00 0.00 N ATOM 2163 CA GLN A 143 9.756 -1.088 7.438 1.00 0.00 C ATOM 2164 C GLN A 143 8.718 -2.137 7.644 1.00 0.00 C ATOM 2165 O GLN A 143 8.295 -2.833 6.722 1.00 0.00 O ATOM 2166 CB GLN A 143 11.163 -1.709 7.408 1.00 0.00 C ATOM 2167 CG GLN A 143 12.156 -0.749 6.752 1.00 0.00 C ATOM 2168 CD GLN A 143 11.925 -0.566 5.259 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.342 -1.406 4.576 1.00 0.00 O ATOM 2170 NE2 GLN A 143 12.590 0.470 4.681 1.00 0.00 N ATOM 0 H GLN A 143 10.500 0.303 8.765 1.00 0.00 H new ATOM 0 HA GLN A 143 9.546 -0.677 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.487 -1.940 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 143 11.140 -2.650 6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 143 12.090 0.222 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 143 13.168 -1.120 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.068 1.158 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.611 0.559 3.665 1.00 0.00 H new ATOM 2179 N MET A 144 8.318 -2.242 8.924 1.00 0.00 N ATOM 2180 CA MET A 144 7.122 -2.987 9.167 1.00 0.00 C ATOM 2181 C MET A 144 5.849 -2.594 8.500 1.00 0.00 C ATOM 2182 O MET A 144 5.107 -3.409 7.954 1.00 0.00 O ATOM 2183 CB MET A 144 6.840 -2.960 10.679 1.00 0.00 C ATOM 2184 CG MET A 144 7.615 -4.106 11.332 1.00 0.00 C ATOM 2185 SD MET A 144 8.095 -3.847 13.066 1.00 0.00 S ATOM 2186 CE MET A 144 6.359 -3.622 13.549 1.00 0.00 C ATOM 0 H MET A 144 8.783 -1.843 9.739 1.00 0.00 H new ATOM 0 HA MET A 144 7.365 -3.954 8.727 1.00 0.00 H new ATOM 0 HB2 MET A 144 7.145 -2.004 11.105 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.772 -3.067 10.868 1.00 0.00 H new ATOM 0 HG2 MET A 144 7.009 -5.010 11.273 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.517 -4.289 10.748 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.270 -3.699 14.633 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.016 -2.639 13.226 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.748 -4.392 13.079 1.00 0.00 H new ATOM 2196 N MET A 145 5.601 -1.278 8.623 1.00 0.00 N ATOM 2197 CA MET A 145 4.298 -0.734 8.391 1.00 0.00 C ATOM 2198 C MET A 145 4.056 -0.491 6.941 1.00 0.00 C ATOM 2199 O MET A 145 2.929 -0.667 6.480 1.00 0.00 O ATOM 2200 CB MET A 145 3.994 0.555 9.172 1.00 0.00 C ATOM 2201 CG MET A 145 3.767 0.121 10.622 1.00 0.00 C ATOM 2202 SD MET A 145 2.222 -0.809 10.848 1.00 0.00 S ATOM 2203 CE MET A 145 2.830 -2.149 11.913 1.00 0.00 C ATOM 0 H MET A 145 6.305 -0.588 8.884 1.00 0.00 H new ATOM 0 HA MET A 145 3.619 -1.500 8.765 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.822 1.260 9.100 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.113 1.056 8.771 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.606 -0.494 10.948 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.751 1.003 11.262 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.987 -2.741 12.270 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.507 -2.787 11.344 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.362 -1.724 12.764 1.00 0.00 H new