USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 688 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -150:sc= -0.0665 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0906 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 40:sc= 0.306 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.055) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 51:sc= 0.682 USER MOD Single : A 27 SER OG : rot -81:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -159:sc= -0.0099 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.228 (180deg=-0.788) USER MOD Single : A 42 ASN : amide:sc= 0.194 X(o=0.19,f=-0.0078) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0.978 (180deg=0.926) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 48 ASN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -163:sc= -0.798 (180deg=-2.2) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.124 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 63 MET CE :methyl 178:sc= 0 (180deg=-0.0143) USER MOD Single : A 66 CYS SG : rot 25:sc= -1.2 USER MOD Single : A 71 THR OG1 : rot 170:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 78 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.46) USER MOD Single : A 82 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 84 SER OG : rot -79:sc= 1.13 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.590 1.082 -34.739 1.00 0.00 N ATOM 2 CA GLY A 1 20.560 0.192 -34.085 1.00 0.00 C ATOM 3 C GLY A 1 19.889 -0.590 -32.965 1.00 0.00 C ATOM 4 O GLY A 1 18.662 -0.699 -32.940 1.00 0.00 O ATOM 0 H1 GLY A 1 19.540 0.856 -35.753 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.653 0.950 -34.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.890 2.071 -34.619 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.982 -0.497 -34.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.388 0.777 -33.684 1.00 0.00 H new ATOM 8 N SER A 2 20.685 -1.161 -32.058 1.00 0.00 N ATOM 9 CA SER A 2 20.197 -1.945 -30.930 1.00 0.00 C ATOM 10 C SER A 2 19.668 -0.999 -29.842 1.00 0.00 C ATOM 11 O SER A 2 18.506 -0.597 -29.918 1.00 0.00 O ATOM 12 CB SER A 2 21.306 -2.897 -30.457 1.00 0.00 C ATOM 13 OG SER A 2 21.854 -3.583 -31.570 1.00 0.00 O ATOM 0 H SER A 2 21.702 -1.088 -32.091 1.00 0.00 H new ATOM 0 HA SER A 2 19.356 -2.576 -31.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.086 -2.335 -29.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.903 -3.612 -29.739 1.00 0.00 H new ATOM 0 HG SER A 2 22.562 -4.188 -31.265 1.00 0.00 H new ATOM 19 N SER A 3 20.516 -0.583 -28.892 1.00 0.00 N ATOM 20 CA SER A 3 20.182 0.311 -27.781 1.00 0.00 C ATOM 21 C SER A 3 18.923 -0.153 -27.023 1.00 0.00 C ATOM 22 O SER A 3 18.594 -1.338 -27.079 1.00 0.00 O ATOM 23 CB SER A 3 20.204 1.764 -28.272 1.00 0.00 C ATOM 24 OG SER A 3 21.470 2.023 -28.864 1.00 0.00 O ATOM 0 H SER A 3 21.494 -0.874 -28.878 1.00 0.00 H new ATOM 0 HA SER A 3 20.944 0.264 -27.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.406 1.931 -28.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.028 2.447 -27.441 1.00 0.00 H new ATOM 0 HG SER A 3 21.498 2.949 -29.184 1.00 0.00 H new ATOM 30 N GLY A 4 18.257 0.711 -26.253 1.00 0.00 N ATOM 31 CA GLY A 4 17.078 0.312 -25.492 1.00 0.00 C ATOM 32 C GLY A 4 17.546 -0.509 -24.288 1.00 0.00 C ATOM 33 O GLY A 4 18.000 0.069 -23.295 1.00 0.00 O ATOM 0 H GLY A 4 18.517 1.691 -26.142 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.523 1.190 -25.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.404 -0.276 -26.115 1.00 0.00 H new ATOM 37 N SER A 5 17.470 -1.834 -24.368 1.00 0.00 N ATOM 38 CA SER A 5 17.877 -2.764 -23.328 1.00 0.00 C ATOM 39 C SER A 5 18.371 -4.052 -23.995 1.00 0.00 C ATOM 40 O SER A 5 18.665 -4.070 -25.193 1.00 0.00 O ATOM 41 CB SER A 5 16.689 -3.009 -22.378 1.00 0.00 C ATOM 42 OG SER A 5 17.171 -3.560 -21.175 1.00 0.00 O ATOM 0 H SER A 5 17.107 -2.306 -25.196 1.00 0.00 H new ATOM 0 HA SER A 5 18.694 -2.361 -22.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.165 -2.074 -22.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.970 -3.685 -22.841 1.00 0.00 H new ATOM 0 HG SER A 5 16.421 -3.717 -20.564 1.00 0.00 H new ATOM 48 N SER A 6 18.574 -5.110 -23.217 1.00 0.00 N ATOM 49 CA SER A 6 19.004 -6.406 -23.708 1.00 0.00 C ATOM 50 C SER A 6 18.417 -7.468 -22.783 1.00 0.00 C ATOM 51 O SER A 6 18.265 -7.222 -21.582 1.00 0.00 O ATOM 52 CB SER A 6 20.532 -6.482 -23.831 1.00 0.00 C ATOM 53 OG SER A 6 21.200 -6.149 -22.626 1.00 0.00 O ATOM 0 H SER A 6 18.440 -5.086 -22.206 1.00 0.00 H new ATOM 0 HA SER A 6 18.636 -6.579 -24.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.817 -7.490 -24.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.862 -5.808 -24.621 1.00 0.00 H new ATOM 0 HG SER A 6 22.169 -6.215 -22.760 1.00 0.00 H new ATOM 59 N GLY A 7 18.134 -8.648 -23.333 1.00 0.00 N ATOM 60 CA GLY A 7 17.569 -9.767 -22.599 1.00 0.00 C ATOM 61 C GLY A 7 16.146 -10.080 -23.047 1.00 0.00 C ATOM 62 O GLY A 7 15.620 -9.474 -23.983 1.00 0.00 O ATOM 0 H GLY A 7 18.296 -8.851 -24.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.196 -10.647 -22.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.572 -9.541 -21.533 1.00 0.00 H new ATOM 66 N PHE A 8 15.531 -11.060 -22.389 1.00 0.00 N ATOM 67 CA PHE A 8 14.174 -11.532 -22.653 1.00 0.00 C ATOM 68 C PHE A 8 13.382 -11.497 -21.344 1.00 0.00 C ATOM 69 O PHE A 8 12.793 -12.496 -20.940 1.00 0.00 O ATOM 70 CB PHE A 8 14.228 -12.939 -23.274 1.00 0.00 C ATOM 71 CG PHE A 8 14.882 -13.021 -24.640 1.00 0.00 C ATOM 72 CD1 PHE A 8 14.197 -12.553 -25.778 1.00 0.00 C ATOM 73 CD2 PHE A 8 16.147 -13.620 -24.786 1.00 0.00 C ATOM 74 CE1 PHE A 8 14.766 -12.700 -27.056 1.00 0.00 C ATOM 75 CE2 PHE A 8 16.720 -13.758 -26.063 1.00 0.00 C ATOM 76 CZ PHE A 8 16.027 -13.304 -27.199 1.00 0.00 C ATOM 0 H PHE A 8 15.982 -11.567 -21.627 1.00 0.00 H new ATOM 0 HA PHE A 8 13.667 -10.887 -23.371 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.765 -13.598 -22.592 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.211 -13.322 -23.353 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.232 -12.080 -25.669 1.00 0.00 H new ATOM 0 HD2 PHE A 8 16.679 -13.975 -23.916 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.234 -12.349 -27.928 1.00 0.00 H new ATOM 0 HE2 PHE A 8 17.693 -14.213 -26.171 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.463 -13.419 -28.180 1.00 0.00 H new ATOM 86 N GLU A 9 13.412 -10.347 -20.662 1.00 0.00 N ATOM 87 CA GLU A 9 12.750 -10.085 -19.383 1.00 0.00 C ATOM 88 C GLU A 9 12.867 -11.254 -18.380 1.00 0.00 C ATOM 89 O GLU A 9 11.852 -11.815 -17.960 1.00 0.00 O ATOM 90 CB GLU A 9 11.312 -9.567 -19.597 1.00 0.00 C ATOM 91 CG GLU A 9 11.259 -8.047 -19.791 1.00 0.00 C ATOM 92 CD GLU A 9 11.949 -7.575 -21.072 1.00 0.00 C ATOM 93 OE1 GLU A 9 11.303 -7.606 -22.144 1.00 0.00 O ATOM 94 OE2 GLU A 9 13.119 -7.124 -21.007 1.00 0.00 O ATOM 0 H GLU A 9 13.924 -9.535 -21.005 1.00 0.00 H new ATOM 0 HA GLU A 9 13.294 -9.277 -18.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.879 -10.057 -20.469 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.699 -9.842 -18.739 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.217 -7.726 -19.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.727 -7.562 -18.935 1.00 0.00 H new ATOM 101 N PRO A 10 14.087 -11.621 -17.942 1.00 0.00 N ATOM 102 CA PRO A 10 14.283 -12.705 -16.980 1.00 0.00 C ATOM 103 C PRO A 10 13.643 -12.396 -15.620 1.00 0.00 C ATOM 104 O PRO A 10 13.265 -13.330 -14.909 1.00 0.00 O ATOM 105 CB PRO A 10 15.795 -12.886 -16.854 1.00 0.00 C ATOM 106 CG PRO A 10 16.347 -11.522 -17.266 1.00 0.00 C ATOM 107 CD PRO A 10 15.369 -11.057 -18.336 1.00 0.00 C ATOM 0 HA PRO A 10 13.797 -13.618 -17.324 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.086 -13.147 -15.836 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.161 -13.681 -17.504 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.381 -10.831 -16.424 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.362 -11.600 -17.655 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.324 -9.969 -18.384 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.668 -11.408 -19.324 1.00 0.00 H new ATOM 115 N ARG A 11 13.504 -11.104 -15.287 1.00 0.00 N ATOM 116 CA ARG A 11 12.914 -10.566 -14.066 1.00 0.00 C ATOM 117 C ARG A 11 13.432 -11.246 -12.797 1.00 0.00 C ATOM 118 O ARG A 11 14.587 -11.672 -12.769 1.00 0.00 O ATOM 119 CB ARG A 11 11.387 -10.468 -14.248 1.00 0.00 C ATOM 120 CG ARG A 11 11.087 -9.417 -15.329 1.00 0.00 C ATOM 121 CD ARG A 11 9.605 -9.086 -15.422 1.00 0.00 C ATOM 122 NE ARG A 11 9.393 -7.918 -16.293 1.00 0.00 N ATOM 123 CZ ARG A 11 8.275 -7.191 -16.334 1.00 0.00 C ATOM 124 NH1 ARG A 11 7.281 -7.438 -15.493 1.00 0.00 N ATOM 125 NH2 ARG A 11 8.155 -6.205 -17.209 1.00 0.00 N ATOM 0 H ARG A 11 13.824 -10.363 -15.910 1.00 0.00 H new ATOM 0 HA ARG A 11 13.252 -9.544 -13.895 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.978 -11.436 -14.538 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.911 -10.190 -13.308 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.647 -8.507 -15.112 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.436 -9.783 -16.295 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.058 -9.944 -15.814 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.208 -8.883 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 11 10.157 -7.644 -16.911 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.367 -8.189 -14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.430 -6.877 -15.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.918 -6.000 -17.854 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.299 -5.651 -17.238 1.00 0.00 H new ATOM 139 N SER A 12 12.654 -11.255 -11.710 1.00 0.00 N ATOM 140 CA SER A 12 13.038 -11.832 -10.417 1.00 0.00 C ATOM 141 C SER A 12 14.314 -11.146 -9.883 1.00 0.00 C ATOM 142 O SER A 12 15.120 -11.741 -9.163 1.00 0.00 O ATOM 143 CB SER A 12 13.176 -13.350 -10.560 1.00 0.00 C ATOM 144 OG SER A 12 11.987 -13.907 -11.100 1.00 0.00 O ATOM 0 H SER A 12 11.717 -10.852 -11.704 1.00 0.00 H new ATOM 0 HA SER A 12 12.263 -11.650 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.021 -13.585 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.385 -13.796 -9.587 1.00 0.00 H new ATOM 0 HG SER A 12 12.091 -14.878 -11.187 1.00 0.00 H new ATOM 150 N LEU A 13 14.500 -9.875 -10.260 1.00 0.00 N ATOM 151 CA LEU A 13 15.630 -9.015 -9.933 1.00 0.00 C ATOM 152 C LEU A 13 15.633 -8.536 -8.479 1.00 0.00 C ATOM 153 O LEU A 13 15.478 -7.346 -8.184 1.00 0.00 O ATOM 154 CB LEU A 13 15.679 -7.852 -10.938 1.00 0.00 C ATOM 155 CG LEU A 13 16.011 -8.278 -12.377 1.00 0.00 C ATOM 156 CD1 LEU A 13 15.925 -7.077 -13.316 1.00 0.00 C ATOM 157 CD2 LEU A 13 17.412 -8.873 -12.484 1.00 0.00 C ATOM 0 H LEU A 13 13.814 -9.393 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 13 16.543 -9.604 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.715 -7.343 -10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.423 -7.129 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 13 15.283 -9.038 -12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.162 -7.392 -14.332 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.916 -6.666 -13.290 1.00 0.00 H new ATOM 0 HD13 LEU A 13 16.635 -6.314 -12.997 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.607 -9.161 -13.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.147 -8.132 -12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.484 -9.751 -11.843 1.00 0.00 H new ATOM 169 N ILE A 14 15.819 -9.479 -7.564 1.00 0.00 N ATOM 170 CA ILE A 14 15.890 -9.292 -6.125 1.00 0.00 C ATOM 171 C ILE A 14 16.890 -10.311 -5.570 1.00 0.00 C ATOM 172 O ILE A 14 17.411 -11.156 -6.305 1.00 0.00 O ATOM 173 CB ILE A 14 14.500 -9.454 -5.461 1.00 0.00 C ATOM 174 CG1 ILE A 14 13.848 -10.816 -5.780 1.00 0.00 C ATOM 175 CG2 ILE A 14 13.550 -8.308 -5.830 1.00 0.00 C ATOM 176 CD1 ILE A 14 12.870 -11.228 -4.682 1.00 0.00 C ATOM 0 H ILE A 14 15.931 -10.458 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 14 16.221 -8.278 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 14 14.677 -9.416 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.325 -10.757 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.621 -11.577 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.587 -8.462 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 14 13.977 -7.361 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.410 -8.285 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.426 -12.191 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.401 -11.310 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.084 -10.478 -4.594 1.00 0.00 H new ATOM 188 N THR A 15 17.127 -10.252 -4.264 1.00 0.00 N ATOM 189 CA THR A 15 18.025 -11.136 -3.530 1.00 0.00 C ATOM 190 C THR A 15 17.403 -11.560 -2.188 1.00 0.00 C ATOM 191 O THR A 15 18.014 -12.349 -1.461 1.00 0.00 O ATOM 192 CB THR A 15 19.367 -10.414 -3.304 1.00 0.00 C ATOM 193 OG1 THR A 15 19.126 -9.106 -2.804 1.00 0.00 O ATOM 194 CG2 THR A 15 20.194 -10.315 -4.585 1.00 0.00 C ATOM 0 H THR A 15 16.681 -9.559 -3.664 1.00 0.00 H new ATOM 0 HA THR A 15 18.194 -12.041 -4.114 1.00 0.00 H new ATOM 0 HB THR A 15 19.935 -11.002 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.981 -8.649 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.130 -9.798 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.408 -11.317 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.634 -9.759 -5.337 1.00 0.00 H new ATOM 202 N SER A 16 16.199 -11.072 -1.863 1.00 0.00 N ATOM 203 CA SER A 16 15.499 -11.343 -0.622 1.00 0.00 C ATOM 204 C SER A 16 13.981 -11.332 -0.845 1.00 0.00 C ATOM 205 O SER A 16 13.445 -10.317 -1.299 1.00 0.00 O ATOM 206 CB SER A 16 15.934 -10.251 0.363 1.00 0.00 C ATOM 207 OG SER A 16 15.735 -8.956 -0.187 1.00 0.00 O ATOM 0 H SER A 16 15.676 -10.457 -2.486 1.00 0.00 H new ATOM 0 HA SER A 16 15.742 -12.331 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.368 -10.347 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.986 -10.384 0.617 1.00 0.00 H new ATOM 0 HG SER A 16 14.891 -8.938 -0.685 1.00 0.00 H new ATOM 213 N ASP A 17 13.305 -12.433 -0.524 1.00 0.00 N ATOM 214 CA ASP A 17 11.858 -12.669 -0.638 1.00 0.00 C ATOM 215 C ASP A 17 11.298 -13.339 0.630 1.00 0.00 C ATOM 216 O ASP A 17 10.108 -13.248 0.937 1.00 0.00 O ATOM 217 CB ASP A 17 11.609 -13.583 -1.844 1.00 0.00 C ATOM 218 CG ASP A 17 10.126 -13.885 -2.059 1.00 0.00 C ATOM 219 OD1 ASP A 17 9.382 -12.970 -2.476 1.00 0.00 O ATOM 220 OD2 ASP A 17 9.699 -15.052 -1.887 1.00 0.00 O ATOM 0 H ASP A 17 13.787 -13.249 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 17 11.354 -11.711 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.014 -13.113 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.150 -14.519 -1.703 1.00 0.00 H new ATOM 225 N LYS A 18 12.166 -13.999 1.401 1.00 0.00 N ATOM 226 CA LYS A 18 11.845 -14.706 2.634 1.00 0.00 C ATOM 227 C LYS A 18 11.583 -13.695 3.751 1.00 0.00 C ATOM 228 O LYS A 18 12.527 -13.293 4.440 1.00 0.00 O ATOM 229 CB LYS A 18 13.021 -15.648 2.968 1.00 0.00 C ATOM 230 CG LYS A 18 13.252 -16.729 1.897 1.00 0.00 C ATOM 231 CD LYS A 18 12.349 -17.951 2.084 1.00 0.00 C ATOM 232 CE LYS A 18 13.007 -18.990 2.993 1.00 0.00 C ATOM 233 NZ LYS A 18 14.061 -19.733 2.270 1.00 0.00 N ATOM 0 H LYS A 18 13.157 -14.055 1.168 1.00 0.00 H new ATOM 0 HA LYS A 18 10.940 -15.304 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.930 -15.058 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.832 -16.130 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.076 -16.300 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.295 -17.045 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.396 -17.640 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.132 -18.398 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.437 -18.496 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.253 -19.686 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.351 -20.559 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.693 -20.051 1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.882 -19.112 2.119 1.00 0.00 H new ATOM 247 N GLY A 19 10.333 -13.284 3.956 1.00 0.00 N ATOM 248 CA GLY A 19 9.967 -12.318 4.985 1.00 0.00 C ATOM 249 C GLY A 19 8.582 -11.745 4.709 1.00 0.00 C ATOM 250 O GLY A 19 7.690 -12.454 4.247 1.00 0.00 O ATOM 0 H GLY A 19 9.540 -13.616 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.980 -12.797 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.701 -11.513 5.014 1.00 0.00 H new ATOM 254 N PHE A 20 8.368 -10.490 5.086 1.00 0.00 N ATOM 255 CA PHE A 20 7.144 -9.711 4.899 1.00 0.00 C ATOM 256 C PHE A 20 7.577 -8.469 4.121 1.00 0.00 C ATOM 257 O PHE A 20 8.776 -8.203 3.998 1.00 0.00 O ATOM 258 CB PHE A 20 6.477 -9.346 6.238 1.00 0.00 C ATOM 259 CG PHE A 20 5.310 -10.229 6.653 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.452 -11.628 6.726 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.063 -9.644 6.955 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.358 -12.439 7.077 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.976 -10.451 7.334 1.00 0.00 C ATOM 264 CZ PHE A 20 3.123 -11.847 7.396 1.00 0.00 C ATOM 0 H PHE A 20 9.091 -9.951 5.562 1.00 0.00 H new ATOM 0 HA PHE A 20 6.387 -10.281 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.233 -9.382 7.022 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.127 -8.315 6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.408 -12.082 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.943 -8.572 6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.466 -13.513 7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.027 -9.997 7.578 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.287 -12.465 7.689 1.00 0.00 H new ATOM 274 N VAL A 21 6.647 -7.674 3.619 1.00 0.00 N ATOM 275 CA VAL A 21 6.975 -6.489 2.848 1.00 0.00 C ATOM 276 C VAL A 21 5.955 -5.405 3.161 1.00 0.00 C ATOM 277 O VAL A 21 4.789 -5.689 3.454 1.00 0.00 O ATOM 278 CB VAL A 21 7.073 -6.912 1.364 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.826 -7.629 0.831 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.406 -5.775 0.400 1.00 0.00 C ATOM 0 H VAL A 21 5.646 -7.832 3.735 1.00 0.00 H new ATOM 0 HA VAL A 21 7.940 -6.052 3.106 1.00 0.00 H new ATOM 0 HB VAL A 21 7.909 -7.611 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.977 -7.891 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.652 -8.535 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.962 -6.970 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.455 -6.163 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.633 -5.009 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.369 -5.340 0.669 1.00 0.00 H new ATOM 290 N THR A 22 6.437 -4.170 3.223 1.00 0.00 N ATOM 291 CA THR A 22 5.601 -3.019 3.479 1.00 0.00 C ATOM 292 C THR A 22 4.993 -2.660 2.118 1.00 0.00 C ATOM 293 O THR A 22 5.569 -2.956 1.071 1.00 0.00 O ATOM 294 CB THR A 22 6.464 -1.882 4.059 1.00 0.00 C ATOM 295 OG1 THR A 22 7.332 -2.357 5.075 1.00 0.00 O ATOM 296 CG2 THR A 22 5.616 -0.766 4.677 1.00 0.00 C ATOM 0 H THR A 22 7.424 -3.945 3.096 1.00 0.00 H new ATOM 0 HA THR A 22 4.814 -3.206 4.209 1.00 0.00 H new ATOM 0 HB THR A 22 7.033 -1.491 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.867 -1.613 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.270 0.012 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.964 -0.339 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.010 -1.175 5.485 1.00 0.00 H new ATOM 304 N MET A 23 3.843 -2.004 2.096 1.00 0.00 N ATOM 305 CA MET A 23 3.156 -1.577 0.892 1.00 0.00 C ATOM 306 C MET A 23 2.576 -0.196 1.159 1.00 0.00 C ATOM 307 O MET A 23 2.279 0.156 2.309 1.00 0.00 O ATOM 308 CB MET A 23 2.068 -2.595 0.524 1.00 0.00 C ATOM 309 CG MET A 23 2.590 -3.690 -0.409 1.00 0.00 C ATOM 310 SD MET A 23 2.739 -3.156 -2.134 1.00 0.00 S ATOM 311 CE MET A 23 2.916 -4.772 -2.938 1.00 0.00 C ATOM 0 H MET A 23 3.346 -1.746 2.949 1.00 0.00 H new ATOM 0 HA MET A 23 3.839 -1.522 0.044 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.678 -3.051 1.434 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.237 -2.078 0.045 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.565 -4.024 -0.055 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.921 -4.549 -0.359 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.020 -4.634 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.801 -5.277 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.034 -5.378 -2.734 1.00 0.00 H new ATOM 321 N THR A 24 2.423 0.583 0.095 1.00 0.00 N ATOM 322 CA THR A 24 1.876 1.923 0.152 1.00 0.00 C ATOM 323 C THR A 24 0.825 2.089 -0.932 1.00 0.00 C ATOM 324 O THR A 24 0.788 1.329 -1.906 1.00 0.00 O ATOM 325 CB THR A 24 2.953 3.013 0.025 1.00 0.00 C ATOM 326 OG1 THR A 24 4.247 2.556 -0.320 1.00 0.00 O ATOM 327 CG2 THR A 24 3.044 3.792 1.330 1.00 0.00 C ATOM 0 H THR A 24 2.682 0.291 -0.847 1.00 0.00 H new ATOM 0 HA THR A 24 1.422 2.049 1.135 1.00 0.00 H new ATOM 0 HB THR A 24 2.625 3.635 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.190 1.978 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.808 4.565 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.081 4.256 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.308 3.113 2.141 1.00 0.00 H new ATOM 335 N LEU A 25 -0.075 3.042 -0.723 1.00 0.00 N ATOM 336 CA LEU A 25 -1.150 3.368 -1.630 1.00 0.00 C ATOM 337 C LEU A 25 -1.269 4.891 -1.611 1.00 0.00 C ATOM 338 O LEU A 25 -1.234 5.472 -0.521 1.00 0.00 O ATOM 339 CB LEU A 25 -2.414 2.625 -1.161 1.00 0.00 C ATOM 340 CG LEU A 25 -3.454 2.373 -2.259 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.983 1.304 -3.245 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.769 1.901 -1.626 1.00 0.00 C ATOM 0 H LEU A 25 -0.070 3.625 0.114 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.982 3.054 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.118 1.667 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.882 3.200 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.598 3.310 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.746 1.152 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.056 1.628 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.811 0.368 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.506 1.723 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.596 0.978 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.141 2.667 -0.945 1.00 0.00 H new ATOM 354 N GLU A 26 -1.383 5.548 -2.764 1.00 0.00 N ATOM 355 CA GLU A 26 -1.509 7.002 -2.869 1.00 0.00 C ATOM 356 C GLU A 26 -2.830 7.326 -3.548 1.00 0.00 C ATOM 357 O GLU A 26 -3.064 6.886 -4.673 1.00 0.00 O ATOM 358 CB GLU A 26 -0.318 7.643 -3.602 1.00 0.00 C ATOM 359 CG GLU A 26 0.900 7.720 -2.674 1.00 0.00 C ATOM 360 CD GLU A 26 1.894 8.819 -3.057 1.00 0.00 C ATOM 361 OE1 GLU A 26 1.669 9.983 -2.647 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.935 8.514 -3.690 1.00 0.00 O ATOM 0 H GLU A 26 -1.391 5.077 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.499 7.430 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.071 7.059 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.588 8.643 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.558 7.891 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.413 6.759 -2.682 1.00 0.00 H new ATOM 369 N SER A 27 -3.685 8.029 -2.809 1.00 0.00 N ATOM 370 CA SER A 27 -5.018 8.492 -3.158 1.00 0.00 C ATOM 371 C SER A 27 -4.966 9.685 -4.120 1.00 0.00 C ATOM 372 O SER A 27 -3.887 10.161 -4.475 1.00 0.00 O ATOM 373 CB SER A 27 -5.740 8.908 -1.855 1.00 0.00 C ATOM 374 OG SER A 27 -5.049 8.554 -0.663 1.00 0.00 O ATOM 0 H SER A 27 -3.434 8.314 -1.862 1.00 0.00 H new ATOM 0 HA SER A 27 -5.553 7.687 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.891 9.987 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.728 8.448 -1.838 1.00 0.00 H new ATOM 0 HG SER A 27 -5.223 7.613 -0.451 1.00 0.00 H new ATOM 380 N LEU A 28 -6.137 10.184 -4.530 1.00 0.00 N ATOM 381 CA LEU A 28 -6.275 11.331 -5.429 1.00 0.00 C ATOM 382 C LEU A 28 -6.685 12.597 -4.678 1.00 0.00 C ATOM 383 O LEU A 28 -6.701 13.667 -5.283 1.00 0.00 O ATOM 384 CB LEU A 28 -7.338 11.038 -6.510 1.00 0.00 C ATOM 385 CG LEU A 28 -6.767 10.598 -7.866 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.929 10.373 -8.833 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.849 11.640 -8.518 1.00 0.00 C ATOM 0 H LEU A 28 -7.033 9.792 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.300 11.495 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.006 10.259 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.943 11.933 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.181 9.699 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.540 10.060 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.586 9.598 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.490 11.300 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.485 11.258 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.406 12.562 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.003 11.842 -7.861 1.00 0.00 H new ATOM 399 N GLU A 29 -7.039 12.491 -3.396 1.00 0.00 N ATOM 400 CA GLU A 29 -7.480 13.589 -2.548 1.00 0.00 C ATOM 401 C GLU A 29 -7.468 13.159 -1.075 1.00 0.00 C ATOM 402 O GLU A 29 -7.258 11.979 -0.765 1.00 0.00 O ATOM 403 CB GLU A 29 -8.925 13.946 -2.960 1.00 0.00 C ATOM 404 CG GLU A 29 -9.055 15.320 -3.616 1.00 0.00 C ATOM 405 CD GLU A 29 -8.974 16.478 -2.626 1.00 0.00 C ATOM 406 OE1 GLU A 29 -8.089 16.482 -1.742 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.798 17.413 -2.744 1.00 0.00 O ATOM 0 H GLU A 29 -7.024 11.598 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.815 14.444 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.295 13.187 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.564 13.913 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.268 15.434 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.006 15.372 -4.146 1.00 0.00 H new ATOM 414 N GLU A 30 -7.704 14.113 -0.173 1.00 0.00 N ATOM 415 CA GLU A 30 -7.766 13.926 1.273 1.00 0.00 C ATOM 416 C GLU A 30 -9.001 13.097 1.628 1.00 0.00 C ATOM 417 O GLU A 30 -10.130 13.423 1.244 1.00 0.00 O ATOM 418 CB GLU A 30 -7.812 15.287 1.986 1.00 0.00 C ATOM 419 CG GLU A 30 -6.401 15.815 2.272 1.00 0.00 C ATOM 420 CD GLU A 30 -6.416 17.264 2.769 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.205 17.613 3.680 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.633 18.103 2.265 1.00 0.00 O ATOM 0 H GLU A 30 -7.864 15.082 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.873 13.396 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.353 16.005 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.363 15.191 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.922 15.181 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.800 15.750 1.365 1.00 0.00 H new ATOM 429 N ILE A 31 -8.758 12.021 2.373 1.00 0.00 N ATOM 430 CA ILE A 31 -9.739 11.053 2.853 1.00 0.00 C ATOM 431 C ILE A 31 -10.120 11.349 4.314 1.00 0.00 C ATOM 432 O ILE A 31 -9.604 12.291 4.920 1.00 0.00 O ATOM 433 CB ILE A 31 -9.180 9.624 2.642 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.837 9.411 3.377 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.074 9.317 1.137 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.242 8.004 3.228 1.00 0.00 C ATOM 0 H ILE A 31 -7.812 11.788 2.676 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.664 11.132 2.282 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.879 8.915 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.115 10.138 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.981 9.620 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.680 8.310 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.062 9.386 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.405 10.037 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.301 7.947 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.941 7.269 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.061 7.795 2.174 1.00 0.00 H new ATOM 448 N GLN A 32 -11.051 10.573 4.881 1.00 0.00 N ATOM 449 CA GLN A 32 -11.515 10.730 6.258 1.00 0.00 C ATOM 450 C GLN A 32 -10.485 10.125 7.215 1.00 0.00 C ATOM 451 O GLN A 32 -9.909 10.835 8.041 1.00 0.00 O ATOM 452 CB GLN A 32 -12.888 10.056 6.434 1.00 0.00 C ATOM 453 CG GLN A 32 -13.997 10.630 5.537 1.00 0.00 C ATOM 454 CD GLN A 32 -14.708 11.799 6.203 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.818 11.652 6.710 1.00 0.00 O ATOM 456 NE2 GLN A 32 -14.110 12.974 6.213 1.00 0.00 N ATOM 0 H GLN A 32 -11.508 9.807 4.386 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.626 11.790 6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.785 8.991 6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.195 10.151 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.567 10.957 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.720 9.848 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.189 13.081 5.788 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.569 13.776 6.645 1.00 0.00 H new ATOM 465 N ASP A 33 -10.291 8.808 7.128 1.00 0.00 N ATOM 466 CA ASP A 33 -9.369 7.980 7.906 1.00 0.00 C ATOM 467 C ASP A 33 -9.202 6.666 7.115 1.00 0.00 C ATOM 468 O ASP A 33 -9.734 6.551 6.001 1.00 0.00 O ATOM 469 CB ASP A 33 -9.905 7.763 9.338 1.00 0.00 C ATOM 470 CG ASP A 33 -8.810 7.483 10.379 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.199 6.393 10.335 1.00 0.00 O ATOM 472 OD2 ASP A 33 -8.639 8.300 11.319 1.00 0.00 O ATOM 0 H ASP A 33 -10.817 8.248 6.457 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.398 8.457 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.465 8.647 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.606 6.929 9.330 1.00 0.00 H new ATOM 477 N VAL A 34 -8.518 5.653 7.660 1.00 0.00 N ATOM 478 CA VAL A 34 -8.278 4.357 7.006 1.00 0.00 C ATOM 479 C VAL A 34 -9.553 3.681 6.480 1.00 0.00 C ATOM 480 O VAL A 34 -9.478 2.867 5.559 1.00 0.00 O ATOM 481 CB VAL A 34 -7.488 3.403 7.926 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.086 3.930 8.255 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.227 3.071 9.233 1.00 0.00 C ATOM 0 H VAL A 34 -8.105 5.711 8.591 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.673 4.580 6.128 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.391 2.483 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.574 3.220 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.518 4.053 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.168 4.892 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.618 2.396 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.410 3.989 9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.178 2.592 9.001 1.00 0.00 H new ATOM 493 N SER A 35 -10.730 4.012 7.018 1.00 0.00 N ATOM 494 CA SER A 35 -11.998 3.443 6.576 1.00 0.00 C ATOM 495 C SER A 35 -12.249 3.732 5.087 1.00 0.00 C ATOM 496 O SER A 35 -12.902 2.935 4.413 1.00 0.00 O ATOM 497 CB SER A 35 -13.123 3.987 7.457 1.00 0.00 C ATOM 498 OG SER A 35 -12.884 3.624 8.809 1.00 0.00 O ATOM 0 H SER A 35 -10.826 4.687 7.777 1.00 0.00 H new ATOM 0 HA SER A 35 -11.964 2.358 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.179 5.072 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.083 3.589 7.127 1.00 0.00 H new ATOM 0 HG SER A 35 -13.604 3.974 9.374 1.00 0.00 H new ATOM 504 N CYS A 36 -11.742 4.849 4.542 1.00 0.00 N ATOM 505 CA CYS A 36 -11.931 5.151 3.124 1.00 0.00 C ATOM 506 C CYS A 36 -11.072 4.212 2.269 1.00 0.00 C ATOM 507 O CYS A 36 -11.409 3.951 1.112 1.00 0.00 O ATOM 508 CB CYS A 36 -11.596 6.613 2.824 1.00 0.00 C ATOM 509 SG CYS A 36 -12.739 7.681 3.741 1.00 0.00 S ATOM 0 H CYS A 36 -11.206 5.547 5.058 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.980 4.993 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.567 6.830 3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.677 6.806 1.754 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.776 8.856 3.185 1.00 0.00 H new ATOM 515 N ALA A 37 -9.954 3.717 2.807 1.00 0.00 N ATOM 516 CA ALA A 37 -9.087 2.797 2.098 1.00 0.00 C ATOM 517 C ALA A 37 -9.731 1.411 2.169 1.00 0.00 C ATOM 518 O ALA A 37 -9.907 0.782 1.130 1.00 0.00 O ATOM 519 CB ALA A 37 -7.682 2.795 2.700 1.00 0.00 C ATOM 0 H ALA A 37 -9.632 3.948 3.747 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.975 3.102 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.051 2.097 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.257 3.797 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.734 2.490 3.745 1.00 0.00 H new ATOM 525 N TRP A 38 -10.126 0.946 3.365 1.00 0.00 N ATOM 526 CA TRP A 38 -10.752 -0.367 3.565 1.00 0.00 C ATOM 527 C TRP A 38 -11.929 -0.592 2.607 1.00 0.00 C ATOM 528 O TRP A 38 -12.000 -1.635 1.954 1.00 0.00 O ATOM 529 CB TRP A 38 -11.226 -0.556 5.021 1.00 0.00 C ATOM 530 CG TRP A 38 -10.240 -1.044 6.051 1.00 0.00 C ATOM 531 CD1 TRP A 38 -10.090 -0.523 7.292 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.353 -2.211 6.012 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.191 -1.282 8.017 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.707 -2.341 7.279 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.024 -3.179 5.039 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.802 -3.376 7.562 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.110 -4.216 5.303 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.505 -4.321 6.565 1.00 0.00 C ATOM 0 H TRP A 38 -10.018 1.478 4.228 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.983 -1.109 3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.617 0.401 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.062 -1.256 5.007 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.598 0.356 7.661 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.919 -1.083 8.980 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.487 -3.122 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.339 -3.445 8.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.873 -4.934 4.532 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.814 -5.125 6.769 1.00 0.00 H new ATOM 549 N LYS A 39 -12.830 0.386 2.461 1.00 0.00 N ATOM 550 CA LYS A 39 -13.983 0.234 1.574 1.00 0.00 C ATOM 551 C LYS A 39 -13.611 0.003 0.116 1.00 0.00 C ATOM 552 O LYS A 39 -14.264 -0.783 -0.565 1.00 0.00 O ATOM 553 CB LYS A 39 -14.956 1.407 1.716 1.00 0.00 C ATOM 554 CG LYS A 39 -14.433 2.761 1.228 1.00 0.00 C ATOM 555 CD LYS A 39 -15.504 3.848 1.319 1.00 0.00 C ATOM 556 CE LYS A 39 -16.331 3.985 0.038 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.228 2.843 -0.220 1.00 0.00 N ATOM 0 H LYS A 39 -12.782 1.284 2.943 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.486 -0.676 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.867 1.169 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.233 1.501 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.567 3.052 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.094 2.670 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.170 3.624 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.026 4.803 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.927 4.896 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.654 4.101 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.968 3.128 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.680 2.055 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.668 2.539 0.672 1.00 0.00 H new ATOM 571 N GLU A 40 -12.586 0.689 -0.383 1.00 0.00 N ATOM 572 CA GLU A 40 -12.179 0.548 -1.775 1.00 0.00 C ATOM 573 C GLU A 40 -11.307 -0.692 -1.971 1.00 0.00 C ATOM 574 O GLU A 40 -11.454 -1.389 -2.972 1.00 0.00 O ATOM 575 CB GLU A 40 -11.518 1.849 -2.241 1.00 0.00 C ATOM 576 CG GLU A 40 -11.450 1.961 -3.768 1.00 0.00 C ATOM 577 CD GLU A 40 -12.837 2.038 -4.419 1.00 0.00 C ATOM 578 OE1 GLU A 40 -13.457 0.986 -4.670 1.00 0.00 O ATOM 579 OE2 GLU A 40 -13.374 3.144 -4.662 1.00 0.00 O ATOM 0 H GLU A 40 -12.024 1.347 0.157 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.052 0.385 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.074 2.698 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.510 1.907 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.877 2.848 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.913 1.101 -4.168 1.00 0.00 H new ATOM 586 N LEU A 41 -10.434 -1.012 -1.008 1.00 0.00 N ATOM 587 CA LEU A 41 -9.571 -2.194 -1.072 1.00 0.00 C ATOM 588 C LEU A 41 -10.478 -3.413 -1.242 1.00 0.00 C ATOM 589 O LEU A 41 -10.249 -4.243 -2.116 1.00 0.00 O ATOM 590 CB LEU A 41 -8.715 -2.309 0.203 1.00 0.00 C ATOM 591 CG LEU A 41 -7.516 -1.340 0.236 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.041 -1.138 1.677 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.330 -1.854 -0.583 1.00 0.00 C ATOM 0 H LEU A 41 -10.307 -0.457 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.879 -2.122 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.346 -2.121 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.347 -3.331 0.292 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.863 -0.402 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.194 -0.452 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.853 -0.722 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.737 -2.097 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.512 -1.136 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.000 -2.813 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.633 -1.980 -1.622 1.00 0.00 H new ATOM 605 N ASN A 42 -11.576 -3.458 -0.479 1.00 0.00 N ATOM 606 CA ASN A 42 -12.572 -4.527 -0.509 1.00 0.00 C ATOM 607 C ASN A 42 -13.196 -4.732 -1.891 1.00 0.00 C ATOM 608 O ASN A 42 -13.718 -5.814 -2.152 1.00 0.00 O ATOM 609 CB ASN A 42 -13.720 -4.201 0.463 1.00 0.00 C ATOM 610 CG ASN A 42 -13.551 -4.851 1.820 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.514 -6.071 1.931 1.00 0.00 O ATOM 612 ND2 ASN A 42 -13.385 -4.065 2.874 1.00 0.00 N ATOM 0 H ASN A 42 -11.800 -2.727 0.196 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.041 -5.436 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.785 -3.120 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.663 -4.528 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.224 -4.474 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.419 -3.051 2.765 1.00 0.00 H new ATOM 619 N ARG A 43 -13.208 -3.710 -2.754 1.00 0.00 N ATOM 620 CA ARG A 43 -13.785 -3.782 -4.095 1.00 0.00 C ATOM 621 C ARG A 43 -12.769 -4.098 -5.184 1.00 0.00 C ATOM 622 O ARG A 43 -13.189 -4.424 -6.295 1.00 0.00 O ATOM 623 CB ARG A 43 -14.418 -2.432 -4.454 1.00 0.00 C ATOM 624 CG ARG A 43 -15.753 -2.155 -3.748 1.00 0.00 C ATOM 625 CD ARG A 43 -16.656 -1.241 -4.590 1.00 0.00 C ATOM 626 NE ARG A 43 -15.961 -0.027 -5.053 1.00 0.00 N ATOM 627 CZ ARG A 43 -16.163 0.666 -6.180 1.00 0.00 C ATOM 628 NH1 ARG A 43 -16.955 0.197 -7.140 1.00 0.00 N ATOM 629 NH2 ARG A 43 -15.543 1.830 -6.322 1.00 0.00 N ATOM 0 H ARG A 43 -12.810 -2.797 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.514 -4.592 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.716 -1.636 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.575 -2.392 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.266 -3.097 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.564 -1.690 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.024 -1.796 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.527 -0.954 -4.000 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.233 0.331 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.419 -0.704 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.098 0.738 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.931 2.175 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.678 2.380 -7.170 1.00 0.00 H new ATOM 643 N LYS A 44 -11.472 -4.002 -4.914 1.00 0.00 N ATOM 644 CA LYS A 44 -10.423 -4.261 -5.905 1.00 0.00 C ATOM 645 C LYS A 44 -9.514 -5.427 -5.519 1.00 0.00 C ATOM 646 O LYS A 44 -8.563 -5.714 -6.248 1.00 0.00 O ATOM 647 CB LYS A 44 -9.606 -2.981 -6.150 1.00 0.00 C ATOM 648 CG LYS A 44 -10.419 -1.704 -6.421 1.00 0.00 C ATOM 649 CD LYS A 44 -11.270 -1.764 -7.695 1.00 0.00 C ATOM 650 CE LYS A 44 -12.181 -0.536 -7.707 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.097 -0.536 -8.863 1.00 0.00 N ATOM 0 H LYS A 44 -11.112 -3.741 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.917 -4.557 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.972 -2.807 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.944 -3.153 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.072 -1.514 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.735 -0.859 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.633 -1.776 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.862 -2.679 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.762 -0.507 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.571 0.367 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.752 0.268 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.547 -0.452 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.638 -1.424 -8.877 1.00 0.00 H new ATOM 665 N LEU A 45 -9.759 -6.097 -4.392 1.00 0.00 N ATOM 666 CA LEU A 45 -8.972 -7.220 -3.892 1.00 0.00 C ATOM 667 C LEU A 45 -9.919 -8.298 -3.394 1.00 0.00 C ATOM 668 O LEU A 45 -11.104 -8.032 -3.169 1.00 0.00 O ATOM 669 CB LEU A 45 -8.041 -6.745 -2.764 1.00 0.00 C ATOM 670 CG LEU A 45 -6.984 -5.727 -3.232 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.287 -5.124 -2.010 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.970 -6.360 -4.191 1.00 0.00 C ATOM 0 H LEU A 45 -10.541 -5.862 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.353 -7.629 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.641 -6.297 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.536 -7.609 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.486 -4.935 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.538 -4.403 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.023 -4.623 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.803 -5.916 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.242 -5.609 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.456 -7.180 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.490 -6.742 -5.070 1.00 0.00 H new ATOM 684 N SER A 46 -9.417 -9.522 -3.243 1.00 0.00 N ATOM 685 CA SER A 46 -10.218 -10.641 -2.782 1.00 0.00 C ATOM 686 C SER A 46 -10.514 -10.459 -1.305 1.00 0.00 C ATOM 687 O SER A 46 -9.607 -10.135 -0.543 1.00 0.00 O ATOM 688 CB SER A 46 -9.469 -11.963 -2.976 1.00 0.00 C ATOM 689 OG SER A 46 -8.889 -12.117 -4.259 1.00 0.00 O ATOM 0 H SER A 46 -8.444 -9.760 -3.438 1.00 0.00 H new ATOM 0 HA SER A 46 -11.142 -10.671 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.684 -12.037 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.159 -12.788 -2.800 1.00 0.00 H new ATOM 0 HG SER A 46 -8.428 -12.980 -4.308 1.00 0.00 H new ATOM 695 N SER A 47 -11.732 -10.776 -0.872 1.00 0.00 N ATOM 696 CA SER A 47 -12.128 -10.666 0.529 1.00 0.00 C ATOM 697 C SER A 47 -11.240 -11.545 1.432 1.00 0.00 C ATOM 698 O SER A 47 -11.153 -11.333 2.641 1.00 0.00 O ATOM 699 CB SER A 47 -13.600 -11.057 0.640 1.00 0.00 C ATOM 700 OG SER A 47 -14.372 -10.452 -0.390 1.00 0.00 O ATOM 0 H SER A 47 -12.473 -11.117 -1.484 1.00 0.00 H new ATOM 0 HA SER A 47 -11.995 -9.640 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.696 -12.141 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.987 -10.755 1.613 1.00 0.00 H new ATOM 0 HG SER A 47 -15.310 -10.720 -0.296 1.00 0.00 H new ATOM 706 N ASN A 48 -10.594 -12.563 0.852 1.00 0.00 N ATOM 707 CA ASN A 48 -9.691 -13.469 1.541 1.00 0.00 C ATOM 708 C ASN A 48 -8.344 -12.765 1.695 1.00 0.00 C ATOM 709 O ASN A 48 -7.965 -12.388 2.801 1.00 0.00 O ATOM 710 CB ASN A 48 -9.571 -14.779 0.759 1.00 0.00 C ATOM 711 CG ASN A 48 -8.919 -15.859 1.609 1.00 0.00 C ATOM 712 OD1 ASN A 48 -7.914 -15.639 2.277 1.00 0.00 O ATOM 713 ND2 ASN A 48 -9.528 -17.028 1.631 1.00 0.00 N ATOM 0 H ASN A 48 -10.694 -12.779 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.070 -13.725 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.560 -15.109 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.982 -14.616 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.165 -17.781 2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.362 -17.179 1.064 1.00 0.00 H new ATOM 720 N ALA A 49 -7.678 -12.492 0.567 1.00 0.00 N ATOM 721 CA ALA A 49 -6.382 -11.835 0.511 1.00 0.00 C ATOM 722 C ALA A 49 -6.364 -10.501 1.245 1.00 0.00 C ATOM 723 O ALA A 49 -5.422 -10.235 1.978 1.00 0.00 O ATOM 724 CB ALA A 49 -5.990 -11.577 -0.943 1.00 0.00 C ATOM 0 H ALA A 49 -8.043 -12.732 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.676 -12.507 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.018 -11.085 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.935 -12.525 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.737 -10.937 -1.413 1.00 0.00 H new ATOM 730 N VAL A 50 -7.371 -9.644 1.092 1.00 0.00 N ATOM 731 CA VAL A 50 -7.392 -8.341 1.750 1.00 0.00 C ATOM 732 C VAL A 50 -7.312 -8.461 3.283 1.00 0.00 C ATOM 733 O VAL A 50 -6.818 -7.553 3.953 1.00 0.00 O ATOM 734 CB VAL A 50 -8.583 -7.525 1.210 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.891 -7.778 1.973 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.252 -6.035 1.176 1.00 0.00 C ATOM 0 H VAL A 50 -8.189 -9.832 0.513 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.492 -7.779 1.502 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.753 -7.873 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.687 -7.172 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.157 -8.833 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.759 -7.509 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.108 -5.481 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.020 -5.691 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.391 -5.868 0.529 1.00 0.00 H new ATOM 746 N SER A 51 -7.748 -9.593 3.848 1.00 0.00 N ATOM 747 CA SER A 51 -7.720 -9.845 5.279 1.00 0.00 C ATOM 748 C SER A 51 -6.272 -9.959 5.802 1.00 0.00 C ATOM 749 O SER A 51 -6.052 -9.816 7.011 1.00 0.00 O ATOM 750 CB SER A 51 -8.551 -11.108 5.570 1.00 0.00 C ATOM 751 OG SER A 51 -9.375 -10.943 6.710 1.00 0.00 O ATOM 0 H SER A 51 -8.135 -10.367 3.308 1.00 0.00 H new ATOM 0 HA SER A 51 -8.162 -9.004 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.170 -11.343 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.883 -11.955 5.724 1.00 0.00 H new ATOM 0 HG SER A 51 -9.889 -11.763 6.864 1.00 0.00 H new ATOM 757 N GLN A 52 -5.289 -10.198 4.924 1.00 0.00 N ATOM 758 CA GLN A 52 -3.859 -10.331 5.222 1.00 0.00 C ATOM 759 C GLN A 52 -3.204 -8.986 5.565 1.00 0.00 C ATOM 760 O GLN A 52 -2.077 -8.965 6.057 1.00 0.00 O ATOM 761 CB GLN A 52 -3.144 -10.825 3.954 1.00 0.00 C ATOM 762 CG GLN A 52 -3.575 -12.198 3.416 1.00 0.00 C ATOM 763 CD GLN A 52 -2.607 -13.305 3.786 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.377 -13.573 4.967 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.030 -13.963 2.796 1.00 0.00 N ATOM 0 H GLN A 52 -5.483 -10.310 3.929 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.772 -11.011 6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.296 -10.087 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.074 -10.859 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.564 -12.441 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.663 -12.146 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.241 -13.717 1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.373 -14.717 2.999 1.00 0.00 H new ATOM 774 N ILE A 53 -3.848 -7.866 5.228 1.00 0.00 N ATOM 775 CA ILE A 53 -3.311 -6.538 5.486 1.00 0.00 C ATOM 776 C ILE A 53 -3.245 -6.316 7.001 1.00 0.00 C ATOM 777 O ILE A 53 -4.228 -6.540 7.712 1.00 0.00 O ATOM 778 CB ILE A 53 -4.168 -5.483 4.742 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.037 -5.670 3.210 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.728 -4.066 5.139 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.969 -4.780 2.379 1.00 0.00 C ATOM 0 H ILE A 53 -4.758 -7.860 4.768 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.295 -6.438 5.103 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.212 -5.620 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.006 -5.467 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.238 -6.713 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.338 -3.334 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.854 -3.934 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.680 -3.923 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.810 -4.977 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.005 -4.997 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.755 -3.732 2.590 1.00 0.00 H new ATOM 793 N THR A 54 -2.101 -5.841 7.492 1.00 0.00 N ATOM 794 CA THR A 54 -1.874 -5.553 8.903 1.00 0.00 C ATOM 795 C THR A 54 -1.192 -4.186 9.027 1.00 0.00 C ATOM 796 O THR A 54 -0.723 -3.620 8.035 1.00 0.00 O ATOM 797 CB THR A 54 -1.106 -6.723 9.549 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.129 -6.607 10.954 1.00 0.00 O ATOM 799 CG2 THR A 54 0.353 -6.867 9.113 1.00 0.00 C ATOM 0 H THR A 54 -1.291 -5.642 6.905 1.00 0.00 H new ATOM 0 HA THR A 54 -2.809 -5.476 9.458 1.00 0.00 H new ATOM 0 HB THR A 54 -1.630 -7.613 9.201 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.639 -7.357 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.803 -7.718 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.397 -7.026 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.900 -5.960 9.368 1.00 0.00 H new ATOM 807 N ARG A 55 -1.140 -3.637 10.246 1.00 0.00 N ATOM 808 CA ARG A 55 -0.526 -2.341 10.564 1.00 0.00 C ATOM 809 C ARG A 55 -1.015 -1.212 9.647 1.00 0.00 C ATOM 810 O ARG A 55 -0.247 -0.312 9.301 1.00 0.00 O ATOM 811 CB ARG A 55 1.010 -2.495 10.572 1.00 0.00 C ATOM 812 CG ARG A 55 1.500 -3.323 11.765 1.00 0.00 C ATOM 813 CD ARG A 55 3.013 -3.177 11.970 1.00 0.00 C ATOM 814 NE ARG A 55 3.787 -4.012 11.040 1.00 0.00 N ATOM 815 CZ ARG A 55 4.117 -5.299 11.189 1.00 0.00 C ATOM 816 NH1 ARG A 55 3.736 -5.987 12.263 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.830 -5.892 10.241 1.00 0.00 N ATOM 0 H ARG A 55 -1.537 -4.097 11.065 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.844 -2.037 11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.331 -2.970 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.473 -1.509 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.978 -3.006 12.668 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.253 -4.373 11.606 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.296 -2.133 11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.266 -3.449 12.995 1.00 0.00 H new ATOM 0 HE ARG A 55 4.108 -3.558 10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.183 -5.533 12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.997 -6.968 12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.117 -5.367 9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.091 -6.873 10.338 1.00 0.00 H new ATOM 831 N MET A 56 -2.284 -1.235 9.241 1.00 0.00 N ATOM 832 CA MET A 56 -2.842 -0.220 8.358 1.00 0.00 C ATOM 833 C MET A 56 -3.030 1.110 9.088 1.00 0.00 C ATOM 834 O MET A 56 -3.936 1.231 9.917 1.00 0.00 O ATOM 835 CB MET A 56 -4.157 -0.763 7.775 1.00 0.00 C ATOM 836 CG MET A 56 -4.780 0.199 6.770 1.00 0.00 C ATOM 837 SD MET A 56 -6.526 -0.016 6.391 1.00 0.00 S ATOM 838 CE MET A 56 -6.352 -1.055 4.924 1.00 0.00 C ATOM 0 H MET A 56 -2.950 -1.957 9.516 1.00 0.00 H new ATOM 0 HA MET A 56 -2.152 -0.011 7.541 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.970 -1.721 7.291 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.863 -0.948 8.585 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.639 1.214 7.143 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.221 0.121 5.838 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.287 -1.054 4.364 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.552 -0.665 4.295 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.111 -2.074 5.226 1.00 0.00 H new ATOM 848 N CYS A 57 -2.200 2.101 8.753 1.00 0.00 N ATOM 849 CA CYS A 57 -2.215 3.451 9.303 1.00 0.00 C ATOM 850 C CYS A 57 -2.246 4.486 8.169 1.00 0.00 C ATOM 851 O CYS A 57 -1.995 4.156 7.003 1.00 0.00 O ATOM 852 CB CYS A 57 -0.971 3.627 10.188 1.00 0.00 C ATOM 853 SG CYS A 57 -1.153 5.048 11.301 1.00 0.00 S ATOM 0 H CYS A 57 -1.465 1.973 8.057 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.109 3.605 9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.807 2.722 10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.091 3.764 9.560 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.086 5.165 12.034 1.00 0.00 H new ATOM 859 N LEU A 58 -2.594 5.726 8.502 1.00 0.00 N ATOM 860 CA LEU A 58 -2.632 6.853 7.574 1.00 0.00 C ATOM 861 C LEU A 58 -1.205 7.366 7.392 1.00 0.00 C ATOM 862 O LEU A 58 -0.306 7.030 8.175 1.00 0.00 O ATOM 863 CB LEU A 58 -3.436 8.034 8.150 1.00 0.00 C ATOM 864 CG LEU A 58 -4.961 7.885 8.200 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.532 9.179 8.784 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.550 7.627 6.809 1.00 0.00 C ATOM 0 H LEU A 58 -2.865 5.982 9.451 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.089 6.508 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.081 8.222 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.202 8.921 7.561 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.224 7.027 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.618 9.107 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.132 9.333 9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.253 10.019 8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.633 7.527 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.308 8.462 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.129 6.709 6.400 1.00 0.00 H new ATOM 878 N LEU A 59 -0.990 8.146 6.336 1.00 0.00 N ATOM 879 CA LEU A 59 0.294 8.765 6.051 1.00 0.00 C ATOM 880 C LEU A 59 0.174 10.256 6.309 1.00 0.00 C ATOM 881 O LEU A 59 -0.920 10.814 6.404 1.00 0.00 O ATOM 882 CB LEU A 59 0.766 8.493 4.618 1.00 0.00 C ATOM 883 CG LEU A 59 1.296 7.065 4.454 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.695 6.857 3.002 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.518 6.820 5.343 1.00 0.00 C ATOM 0 H LEU A 59 -1.712 8.366 5.650 1.00 0.00 H new ATOM 0 HA LEU A 59 1.048 8.328 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.061 8.655 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.548 9.204 4.352 1.00 0.00 H new ATOM 0 HG LEU A 59 0.511 6.368 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.075 5.844 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.826 7.005 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.471 7.573 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.870 5.798 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.311 7.517 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.244 6.970 6.387 1.00 0.00 H new ATOM 897 N LYS A 60 1.334 10.893 6.440 1.00 0.00 N ATOM 898 CA LYS A 60 1.428 12.315 6.693 1.00 0.00 C ATOM 899 C LYS A 60 0.722 13.076 5.571 1.00 0.00 C ATOM 900 O LYS A 60 0.723 12.635 4.417 1.00 0.00 O ATOM 901 CB LYS A 60 2.911 12.686 6.796 1.00 0.00 C ATOM 902 CG LYS A 60 3.143 13.973 7.582 1.00 0.00 C ATOM 903 CD LYS A 60 4.589 14.415 7.411 1.00 0.00 C ATOM 904 CE LYS A 60 4.841 15.670 8.240 1.00 0.00 C ATOM 905 NZ LYS A 60 6.008 16.398 7.724 1.00 0.00 N ATOM 0 H LYS A 60 2.239 10.427 6.372 1.00 0.00 H new ATOM 0 HA LYS A 60 0.938 12.584 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.453 11.870 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.324 12.798 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.468 14.754 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.922 13.813 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.263 13.618 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.797 14.613 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.962 16.314 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.006 15.398 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.167 17.250 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.848 15.786 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.836 16.674 6.736 1.00 0.00 H new ATOM 919 N GLY A 61 0.128 14.218 5.897 1.00 0.00 N ATOM 920 CA GLY A 61 -0.574 15.055 4.934 1.00 0.00 C ATOM 921 C GLY A 61 -1.864 14.436 4.397 1.00 0.00 C ATOM 922 O GLY A 61 -2.472 15.034 3.518 1.00 0.00 O ATOM 0 H GLY A 61 0.121 14.592 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.809 16.011 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.092 15.265 4.097 1.00 0.00 H new ATOM 926 N ASN A 62 -2.283 13.264 4.896 1.00 0.00 N ATOM 927 CA ASN A 62 -3.493 12.543 4.496 1.00 0.00 C ATOM 928 C ASN A 62 -3.627 12.413 2.970 1.00 0.00 C ATOM 929 O ASN A 62 -4.719 12.540 2.411 1.00 0.00 O ATOM 930 CB ASN A 62 -4.731 13.146 5.188 1.00 0.00 C ATOM 931 CG ASN A 62 -4.797 12.835 6.683 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.850 12.351 7.299 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.929 13.090 7.312 1.00 0.00 N ATOM 0 H ASN A 62 -1.761 12.773 5.622 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.410 11.513 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.727 14.227 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.631 12.766 4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.017 12.885 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.716 13.492 6.803 1.00 0.00 H new ATOM 940 N MET A 63 -2.518 12.102 2.285 1.00 0.00 N ATOM 941 CA MET A 63 -2.437 11.940 0.826 1.00 0.00 C ATOM 942 C MET A 63 -2.184 10.477 0.404 1.00 0.00 C ATOM 943 O MET A 63 -1.879 10.209 -0.762 1.00 0.00 O ATOM 944 CB MET A 63 -1.371 12.906 0.270 1.00 0.00 C ATOM 945 CG MET A 63 -1.790 14.382 0.381 1.00 0.00 C ATOM 946 SD MET A 63 -2.304 15.187 -1.166 1.00 0.00 S ATOM 947 CE MET A 63 -3.854 14.313 -1.526 1.00 0.00 C ATOM 0 H MET A 63 -1.621 11.951 2.747 1.00 0.00 H new ATOM 0 HA MET A 63 -3.404 12.195 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.435 12.757 0.809 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.179 12.665 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.612 14.453 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.956 14.945 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.303 14.725 -2.430 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.648 13.253 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.543 14.435 -0.690 1.00 0.00 H new ATOM 957 N GLY A 64 -2.275 9.522 1.334 1.00 0.00 N ATOM 958 CA GLY A 64 -2.073 8.102 1.071 1.00 0.00 C ATOM 959 C GLY A 64 -2.103 7.288 2.358 1.00 0.00 C ATOM 960 O GLY A 64 -2.342 7.838 3.436 1.00 0.00 O ATOM 0 H GLY A 64 -2.496 9.723 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.847 7.742 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.117 7.956 0.569 1.00 0.00 H new ATOM 964 N VAL A 65 -1.890 5.972 2.272 1.00 0.00 N ATOM 965 CA VAL A 65 -1.906 5.080 3.429 1.00 0.00 C ATOM 966 C VAL A 65 -0.832 3.986 3.281 1.00 0.00 C ATOM 967 O VAL A 65 -0.534 3.565 2.159 1.00 0.00 O ATOM 968 CB VAL A 65 -3.331 4.501 3.603 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.445 5.547 3.736 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.734 3.497 2.507 1.00 0.00 C ATOM 0 H VAL A 65 -1.701 5.495 1.391 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.658 5.633 4.335 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.244 3.979 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.405 5.044 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.254 6.173 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.469 6.169 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.745 3.136 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.702 3.988 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.041 2.656 2.512 1.00 0.00 H new ATOM 980 N CYS A 66 -0.263 3.474 4.382 1.00 0.00 N ATOM 981 CA CYS A 66 0.769 2.424 4.358 1.00 0.00 C ATOM 982 C CYS A 66 0.371 1.235 5.233 1.00 0.00 C ATOM 983 O CYS A 66 -0.309 1.416 6.250 1.00 0.00 O ATOM 984 CB CYS A 66 2.126 2.992 4.799 1.00 0.00 C ATOM 985 SG CYS A 66 2.058 3.664 6.488 1.00 0.00 S ATOM 0 H CYS A 66 -0.508 3.779 5.324 1.00 0.00 H new ATOM 0 HA CYS A 66 0.860 2.066 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.882 2.208 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.434 3.776 4.108 1.00 0.00 H new ATOM 0 HG CYS A 66 1.099 3.085 7.147 1.00 0.00 H new ATOM 991 N PHE A 67 0.757 0.019 4.854 1.00 0.00 N ATOM 992 CA PHE A 67 0.450 -1.195 5.605 1.00 0.00 C ATOM 993 C PHE A 67 1.495 -2.281 5.324 1.00 0.00 C ATOM 994 O PHE A 67 2.404 -2.077 4.523 1.00 0.00 O ATOM 995 CB PHE A 67 -0.998 -1.640 5.331 1.00 0.00 C ATOM 996 CG PHE A 67 -1.470 -1.757 3.896 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.965 -2.775 3.072 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.505 -0.923 3.422 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.480 -2.952 1.780 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -3.023 -1.102 2.128 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.503 -2.114 1.303 1.00 0.00 C ATOM 0 H PHE A 67 1.298 -0.153 4.007 1.00 0.00 H new ATOM 0 HA PHE A 67 0.510 -0.992 6.674 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.139 -2.612 5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.660 -0.939 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.179 -3.422 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.901 -0.144 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.089 -3.736 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.817 -0.465 1.769 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.889 -2.248 0.303 1.00 0.00 H new ATOM 1011 N ASP A 68 1.380 -3.428 5.992 1.00 0.00 N ATOM 1012 CA ASP A 68 2.279 -4.578 5.875 1.00 0.00 C ATOM 1013 C ASP A 68 1.517 -5.760 5.285 1.00 0.00 C ATOM 1014 O ASP A 68 0.324 -5.919 5.566 1.00 0.00 O ATOM 1015 CB ASP A 68 2.772 -4.984 7.270 1.00 0.00 C ATOM 1016 CG ASP A 68 4.075 -4.313 7.680 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.011 -3.242 8.324 1.00 0.00 O ATOM 1018 OD2 ASP A 68 5.138 -4.951 7.519 1.00 0.00 O ATOM 0 H ASP A 68 0.625 -3.589 6.659 1.00 0.00 H new ATOM 0 HA ASP A 68 3.120 -4.308 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.002 -4.740 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.907 -6.065 7.297 1.00 0.00 H new ATOM 1023 N VAL A 69 2.208 -6.608 4.515 1.00 0.00 N ATOM 1024 CA VAL A 69 1.658 -7.800 3.869 1.00 0.00 C ATOM 1025 C VAL A 69 2.730 -8.900 3.769 1.00 0.00 C ATOM 1026 O VAL A 69 3.926 -8.587 3.768 1.00 0.00 O ATOM 1027 CB VAL A 69 1.137 -7.444 2.449 1.00 0.00 C ATOM 1028 CG1 VAL A 69 0.060 -6.353 2.493 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.211 -7.008 1.442 1.00 0.00 C ATOM 0 H VAL A 69 3.200 -6.476 4.319 1.00 0.00 H new ATOM 0 HA VAL A 69 0.829 -8.170 4.473 1.00 0.00 H new ATOM 0 HB VAL A 69 0.727 -8.390 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.277 -6.134 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.784 -6.699 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.475 -5.450 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.742 -6.783 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.720 -6.119 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.935 -7.812 1.311 1.00 0.00 H new ATOM 1039 N PRO A 70 2.360 -10.192 3.691 1.00 0.00 N ATOM 1040 CA PRO A 70 3.350 -11.249 3.540 1.00 0.00 C ATOM 1041 C PRO A 70 3.848 -11.185 2.089 1.00 0.00 C ATOM 1042 O PRO A 70 3.072 -10.859 1.183 1.00 0.00 O ATOM 1043 CB PRO A 70 2.600 -12.552 3.825 1.00 0.00 C ATOM 1044 CG PRO A 70 1.163 -12.236 3.413 1.00 0.00 C ATOM 1045 CD PRO A 70 1.011 -10.741 3.700 1.00 0.00 C ATOM 0 HA PRO A 70 4.209 -11.164 4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.008 -13.384 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.664 -12.830 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.992 -12.459 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.446 -12.826 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.389 -10.260 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.529 -10.576 4.663 1.00 0.00 H new ATOM 1053 N THR A 71 5.108 -11.539 1.830 1.00 0.00 N ATOM 1054 CA THR A 71 5.651 -11.506 0.472 1.00 0.00 C ATOM 1055 C THR A 71 4.833 -12.404 -0.474 1.00 0.00 C ATOM 1056 O THR A 71 4.641 -12.069 -1.638 1.00 0.00 O ATOM 1057 CB THR A 71 7.152 -11.845 0.499 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.413 -12.971 1.319 1.00 0.00 O ATOM 1059 CG2 THR A 71 7.960 -10.664 1.046 1.00 0.00 C ATOM 0 H THR A 71 5.770 -11.851 2.541 1.00 0.00 H new ATOM 0 HA THR A 71 5.562 -10.498 0.068 1.00 0.00 H new ATOM 0 HB THR A 71 7.447 -12.065 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.341 -13.260 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.019 -10.922 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.806 -9.792 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.631 -10.436 2.060 1.00 0.00 H new ATOM 1067 N THR A 72 4.242 -13.492 0.026 1.00 0.00 N ATOM 1068 CA THR A 72 3.441 -14.407 -0.774 1.00 0.00 C ATOM 1069 C THR A 72 2.199 -13.719 -1.377 1.00 0.00 C ATOM 1070 O THR A 72 1.708 -14.156 -2.418 1.00 0.00 O ATOM 1071 CB THR A 72 3.076 -15.619 0.105 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.184 -15.997 0.916 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.653 -16.835 -0.719 1.00 0.00 C ATOM 0 H THR A 72 4.310 -13.761 1.008 1.00 0.00 H new ATOM 0 HA THR A 72 4.020 -14.746 -1.633 1.00 0.00 H new ATOM 0 HB THR A 72 2.233 -15.306 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.937 -16.767 1.470 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.407 -17.660 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.779 -16.582 -1.319 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.471 -17.132 -1.376 1.00 0.00 H new ATOM 1081 N GLU A 73 1.683 -12.649 -0.763 1.00 0.00 N ATOM 1082 CA GLU A 73 0.513 -11.928 -1.259 1.00 0.00 C ATOM 1083 C GLU A 73 0.926 -10.701 -2.079 1.00 0.00 C ATOM 1084 O GLU A 73 0.158 -10.224 -2.904 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.360 -11.529 -0.053 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.825 -11.233 -0.399 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.589 -12.505 -0.764 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.837 -13.336 0.139 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.972 -12.660 -1.948 1.00 0.00 O ATOM 0 H GLU A 73 2.070 -12.259 0.097 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.060 -12.572 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.329 -12.332 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.074 -10.647 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.309 -10.749 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.867 -10.532 -1.232 1.00 0.00 H new ATOM 1096 N SER A 74 2.150 -10.209 -1.898 1.00 0.00 N ATOM 1097 CA SER A 74 2.729 -9.045 -2.558 1.00 0.00 C ATOM 1098 C SER A 74 2.620 -9.094 -4.091 1.00 0.00 C ATOM 1099 O SER A 74 2.023 -8.197 -4.693 1.00 0.00 O ATOM 1100 CB SER A 74 4.165 -8.974 -2.050 1.00 0.00 C ATOM 1101 OG SER A 74 4.896 -7.847 -2.452 1.00 0.00 O ATOM 0 H SER A 74 2.803 -10.641 -1.245 1.00 0.00 H new ATOM 0 HA SER A 74 2.180 -8.136 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.148 -9.004 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.694 -9.866 -2.385 1.00 0.00 H new ATOM 0 HG SER A 74 5.846 -8.078 -2.514 1.00 0.00 H new ATOM 1107 N GLU A 75 3.168 -10.124 -4.753 1.00 0.00 N ATOM 1108 CA GLU A 75 3.085 -10.195 -6.219 1.00 0.00 C ATOM 1109 C GLU A 75 1.640 -10.435 -6.675 1.00 0.00 C ATOM 1110 O GLU A 75 1.269 -10.048 -7.787 1.00 0.00 O ATOM 1111 CB GLU A 75 4.032 -11.256 -6.804 1.00 0.00 C ATOM 1112 CG GLU A 75 5.502 -10.810 -6.776 1.00 0.00 C ATOM 1113 CD GLU A 75 6.414 -11.731 -7.598 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.387 -12.971 -7.403 1.00 0.00 O ATOM 1115 OE2 GLU A 75 7.230 -11.219 -8.402 1.00 0.00 O ATOM 0 H GLU A 75 3.661 -10.900 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 75 3.411 -9.229 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.926 -12.183 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.740 -11.472 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.577 -9.793 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.851 -10.786 -5.744 1.00 0.00 H new ATOM 1122 N ARG A 76 0.815 -11.066 -5.833 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.584 -11.326 -6.155 1.00 0.00 C ATOM 1124 C ARG A 76 -1.342 -10.005 -6.160 1.00 0.00 C ATOM 1125 O ARG A 76 -2.139 -9.770 -7.065 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.208 -12.315 -5.156 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.596 -13.713 -5.265 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.179 -14.669 -4.218 1.00 0.00 C ATOM 1129 NE ARG A 76 -0.986 -16.065 -4.635 1.00 0.00 N ATOM 1130 CZ ARG A 76 0.167 -16.740 -4.700 1.00 0.00 C ATOM 1131 NH1 ARG A 76 1.289 -16.241 -4.199 1.00 0.00 N ATOM 1132 NH2 ARG A 76 0.195 -17.922 -5.300 1.00 0.00 N ATOM 0 H ARG A 76 1.100 -11.408 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.647 -11.784 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.071 -11.939 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.282 -12.376 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.776 -14.112 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.485 -13.648 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.698 -14.501 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.242 -14.467 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.826 -16.577 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.285 -15.324 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.156 -16.774 -4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.657 -18.308 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.069 -18.445 -5.355 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.078 -9.151 -5.168 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.672 -7.835 -4.980 1.00 0.00 C ATOM 1148 C LEU A 77 -1.310 -6.982 -6.178 1.00 0.00 C ATOM 1149 O LEU A 77 -2.193 -6.384 -6.783 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.131 -7.190 -3.683 1.00 0.00 C ATOM 1151 CG LEU A 77 -1.938 -7.613 -2.449 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.109 -7.617 -1.167 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.110 -6.656 -2.258 1.00 0.00 C ATOM 0 H LEU A 77 -0.405 -9.377 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.755 -7.918 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.087 -7.471 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.159 -6.105 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.278 -8.632 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.735 -7.925 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.278 -8.314 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.721 -6.615 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.685 -6.955 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.733 -5.643 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.751 -6.685 -3.139 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.025 -6.950 -6.542 1.00 0.00 N ATOM 1166 CA GLN A 78 0.433 -6.186 -7.689 1.00 0.00 C ATOM 1167 C GLN A 78 -0.356 -6.600 -8.938 1.00 0.00 C ATOM 1168 O GLN A 78 -0.835 -5.739 -9.684 1.00 0.00 O ATOM 1169 CB GLN A 78 1.930 -6.426 -7.920 1.00 0.00 C ATOM 1170 CG GLN A 78 2.855 -5.552 -7.054 1.00 0.00 C ATOM 1171 CD GLN A 78 4.246 -5.446 -7.682 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.380 -5.208 -8.878 1.00 0.00 O ATOM 1173 NE2 GLN A 78 5.319 -5.605 -6.935 1.00 0.00 N ATOM 0 H GLN A 78 0.715 -7.450 -6.050 1.00 0.00 H new ATOM 0 HA GLN A 78 0.270 -5.126 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.152 -7.475 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.157 -6.244 -8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.424 -4.557 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.934 -5.978 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.222 -5.803 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.247 -5.530 -7.352 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.513 -7.908 -9.162 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.231 -8.444 -10.310 1.00 0.00 C ATOM 1184 C ALA A 79 -2.759 -8.281 -10.223 1.00 0.00 C ATOM 1185 O ALA A 79 -3.425 -8.527 -11.233 1.00 0.00 O ATOM 1186 CB ALA A 79 -0.829 -9.910 -10.504 1.00 0.00 C ATOM 0 H ALA A 79 -0.140 -8.627 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.943 -7.858 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.361 -10.323 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.245 -9.973 -10.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.085 -10.479 -9.610 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.317 -7.861 -9.081 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.754 -7.664 -8.876 1.00 0.00 C ATOM 1194 C GLU A 80 -5.172 -6.194 -8.825 1.00 0.00 C ATOM 1195 O GLU A 80 -6.291 -5.871 -9.231 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.214 -8.341 -7.573 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.471 -9.839 -7.787 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.476 -10.473 -6.824 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.250 -9.769 -6.138 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.502 -11.725 -6.761 1.00 0.00 O ATOM 0 H GLU A 80 -2.764 -7.643 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.233 -8.118 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.455 -8.206 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.124 -7.861 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.826 -9.988 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.523 -10.370 -7.699 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.304 -5.301 -8.346 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.608 -3.883 -8.242 1.00 0.00 C ATOM 1209 C TRP A 81 -4.765 -3.291 -9.642 1.00 0.00 C ATOM 1210 O TRP A 81 -3.785 -3.131 -10.379 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.536 -3.163 -7.431 1.00 0.00 C ATOM 1212 CG TRP A 81 -3.998 -1.826 -6.951 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.568 -0.620 -7.376 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.046 -1.554 -5.983 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.263 0.378 -6.720 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.213 -0.146 -5.865 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.889 -2.374 -5.209 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.171 0.417 -5.005 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.840 -1.817 -4.343 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.987 -0.426 -4.231 1.00 0.00 C ATOM 0 H TRP A 81 -3.369 -5.547 -8.020 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.550 -3.748 -7.711 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.255 -3.778 -6.576 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.642 -3.039 -8.042 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.798 -0.459 -8.116 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.096 1.376 -6.851 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.802 -3.448 -5.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.280 1.490 -4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.469 -2.468 -3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.720 -0.007 -3.557 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.002 -3.006 -10.027 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.413 -2.447 -11.303 1.00 0.00 C ATOM 1233 C HIS A 82 -7.767 -1.765 -11.072 1.00 0.00 C ATOM 1234 O HIS A 82 -8.220 -1.704 -9.923 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.518 -3.603 -12.312 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.764 -3.167 -13.730 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.861 -2.539 -14.559 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -7.945 -3.284 -14.407 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.485 -2.284 -15.722 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -7.764 -2.703 -15.669 1.00 0.00 N ATOM 0 H HIS A 82 -6.798 -3.172 -9.411 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.707 -1.716 -11.697 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.597 -4.184 -12.278 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.325 -4.267 -12.003 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.851 -3.740 -14.037 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.026 -1.810 -16.577 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.465 -2.614 -16.405 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.377 -1.214 -12.128 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.684 -0.543 -12.133 1.00 0.00 C ATOM 1250 C ASP A 83 -9.864 0.402 -10.942 1.00 0.00 C ATOM 1251 O ASP A 83 -10.950 0.508 -10.374 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.766 -1.631 -12.200 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.172 -1.084 -12.445 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.403 -0.536 -13.550 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.035 -1.240 -11.552 1.00 0.00 O ATOM 0 H ASP A 83 -7.949 -1.225 -13.054 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.764 0.105 -13.006 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.515 -2.332 -12.996 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.762 -2.193 -11.266 1.00 0.00 H new ATOM 1260 N SER A 84 -8.804 1.112 -10.554 1.00 0.00 N ATOM 1261 CA SER A 84 -8.798 2.004 -9.406 1.00 0.00 C ATOM 1262 C SER A 84 -8.269 3.405 -9.706 1.00 0.00 C ATOM 1263 O SER A 84 -7.759 3.678 -10.794 1.00 0.00 O ATOM 1264 CB SER A 84 -8.013 1.301 -8.283 1.00 0.00 C ATOM 1265 OG SER A 84 -6.995 0.434 -8.756 1.00 0.00 O ATOM 0 H SER A 84 -7.909 1.079 -11.043 1.00 0.00 H new ATOM 0 HA SER A 84 -9.827 2.188 -9.096 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.564 2.056 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.708 0.729 -7.668 1.00 0.00 H new ATOM 0 HG SER A 84 -7.395 -0.411 -9.051 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.359 4.278 -8.706 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.947 5.681 -8.703 1.00 0.00 C ATOM 1273 C ASP A 85 -6.798 5.946 -7.720 1.00 0.00 C ATOM 1274 O ASP A 85 -6.547 7.096 -7.369 1.00 0.00 O ATOM 1275 CB ASP A 85 -9.164 6.591 -8.438 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.835 6.410 -7.072 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.233 5.261 -6.747 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.019 7.416 -6.350 1.00 0.00 O ATOM 0 H ASP A 85 -8.752 4.002 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.554 5.921 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.847 7.630 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.907 6.411 -9.215 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.112 4.902 -7.234 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.981 5.027 -6.309 1.00 0.00 C ATOM 1285 C TRP A 86 -3.799 4.234 -6.880 1.00 0.00 C ATOM 1286 O TRP A 86 -4.018 3.187 -7.505 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.298 4.506 -4.897 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.420 5.086 -4.078 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.669 5.367 -4.510 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.445 5.358 -2.638 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.441 5.819 -3.466 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.761 5.774 -2.273 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.500 5.282 -1.594 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.132 6.038 -0.948 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.864 5.520 -0.257 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.182 5.880 0.071 1.00 0.00 C ATOM 0 H TRP A 86 -6.331 3.936 -7.476 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.748 6.088 -6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.493 3.438 -4.990 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.387 4.614 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.011 5.253 -5.528 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.401 6.148 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.475 5.036 -1.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.136 6.359 -0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.124 5.425 0.524 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.462 6.034 1.103 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.569 4.693 -6.633 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.326 4.080 -7.104 1.00 0.00 C ATOM 1309 C ILE A 87 -0.788 3.156 -6.017 1.00 0.00 C ATOM 1310 O ILE A 87 -0.662 3.574 -4.863 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.267 5.153 -7.466 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.762 6.153 -8.532 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.013 4.488 -8.013 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.552 7.337 -7.975 1.00 0.00 C ATOM 0 H ILE A 87 -2.407 5.534 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.537 3.510 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.069 5.694 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.099 6.534 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.388 5.620 -9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.745 5.257 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.429 3.822 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.771 3.914 -8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.860 7.987 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.435 6.971 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.926 7.899 -7.282 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.458 1.917 -6.385 1.00 0.00 N ATOM 1327 CA LEU A 88 0.081 0.893 -5.495 1.00 0.00 C ATOM 1328 C LEU A 88 1.586 0.794 -5.706 1.00 0.00 C ATOM 1329 O LEU A 88 2.012 0.392 -6.791 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.596 -0.456 -5.809 1.00 0.00 C ATOM 1331 CG LEU A 88 0.029 -1.670 -5.091 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.117 -1.529 -3.580 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.649 -2.974 -5.515 1.00 0.00 C ATOM 0 H LEU A 88 -0.563 1.590 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.116 1.154 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.649 -0.391 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.556 -0.626 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 88 1.083 -1.700 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.329 -2.394 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.389 -0.622 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.174 -1.470 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.187 -3.811 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.709 -2.931 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.535 -3.110 -6.590 1.00 0.00 H new ATOM 1345 N SER A 89 2.386 1.116 -4.688 1.00 0.00 N ATOM 1346 CA SER A 89 3.841 1.035 -4.766 1.00 0.00 C ATOM 1347 C SER A 89 4.377 0.402 -3.487 1.00 0.00 C ATOM 1348 O SER A 89 3.893 0.668 -2.382 1.00 0.00 O ATOM 1349 CB SER A 89 4.488 2.393 -5.036 1.00 0.00 C ATOM 1350 OG SER A 89 3.855 3.060 -6.115 1.00 0.00 O ATOM 0 H SER A 89 2.040 1.441 -3.785 1.00 0.00 H new ATOM 0 HA SER A 89 4.105 0.407 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.430 3.010 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.546 2.256 -5.261 1.00 0.00 H new ATOM 0 HG SER A 89 4.289 3.926 -6.264 1.00 0.00 H new ATOM 1356 N VAL A 90 5.371 -0.457 -3.665 1.00 0.00 N ATOM 1357 CA VAL A 90 6.061 -1.211 -2.627 1.00 0.00 C ATOM 1358 C VAL A 90 7.322 -0.427 -2.242 1.00 0.00 C ATOM 1359 O VAL A 90 8.228 -0.300 -3.070 1.00 0.00 O ATOM 1360 CB VAL A 90 6.329 -2.663 -3.086 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.785 -2.803 -4.547 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.314 -3.383 -2.159 1.00 0.00 C ATOM 0 H VAL A 90 5.740 -0.658 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 90 5.446 -1.317 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 90 5.353 -3.145 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.948 -3.856 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.017 -2.402 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.714 -2.251 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.474 -4.400 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.263 -2.847 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.906 -3.415 -1.149 1.00 0.00 H new ATOM 1372 N PRO A 91 7.388 0.159 -1.038 1.00 0.00 N ATOM 1373 CA PRO A 91 8.542 0.909 -0.595 1.00 0.00 C ATOM 1374 C PRO A 91 9.659 -0.029 -0.118 1.00 0.00 C ATOM 1375 O PRO A 91 9.496 -1.248 0.031 1.00 0.00 O ATOM 1376 CB PRO A 91 8.013 1.778 0.549 1.00 0.00 C ATOM 1377 CG PRO A 91 6.920 0.927 1.183 1.00 0.00 C ATOM 1378 CD PRO A 91 6.398 0.094 0.017 1.00 0.00 C ATOM 0 HA PRO A 91 8.983 1.506 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.799 2.017 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.619 2.725 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.313 0.298 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.134 1.543 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.233 -0.938 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.440 0.479 -0.331 1.00 0.00 H new ATOM 1386 N ALA A 92 10.822 0.568 0.097 1.00 0.00 N ATOM 1387 CA ALA A 92 12.050 -0.038 0.576 1.00 0.00 C ATOM 1388 C ALA A 92 12.337 0.638 1.904 1.00 0.00 C ATOM 1389 O ALA A 92 12.132 1.871 1.984 1.00 0.00 O ATOM 1390 CB ALA A 92 13.179 0.191 -0.432 1.00 0.00 C ATOM 0 H ALA A 92 10.938 1.567 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 92 11.964 -1.118 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.096 -0.268 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.909 -0.257 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.337 1.261 -0.564 1.00 0.00 H new TER 1396 ALA A 92