USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 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 104 ASN : amide:sc= -3.9! C(o=-5!,f=-8.4!) USER MOD Set 1.2: A 109 SER OG : rot -170:sc= -1.15! USER MOD Set 2.1: A 21 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 30 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 2.4: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.183 (180deg=-0.436) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.0851 (180deg=-6.33!) USER MOD Single : A 5 GLN : amide:sc= -4.54! C(o=-4.5!,f=-9.4!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= -0.0526 (180deg=-0.553) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -2.65 (180deg=-2.98) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0646) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0264 F(o=-2.2!,f=-0.026) USER MOD Single : A 27 GLN : amide:sc= -0.0594 K(o=-0.059,f=-2.2!) USER MOD Single : A 28 SER OG : rot 28:sc= 0.852 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 57:sc= 0.8 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -0.105 (180deg=-1.43!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.238 USER MOD Single : A 46 THR OG1 : rot 176:sc= 1.03 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 146:sc= -1.99! (180deg=-5.39!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 140:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0239 (180deg=-0.431) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0147 (180deg=-0.262) USER MOD Single : A 72 ASN : amide:sc= -1.29 X(o=-1.3,f=-1) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.386 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0861 USER MOD Single : A 85 ASN : amide:sc= -0.726 K(o=-0.73,f=-6.3!) USER MOD Single : A 86 SER OG : rot -140:sc= -0.585 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.1! C(o=-3.2!,f=-2.1!) USER MOD Single : A 94 MET CE :methyl -124:sc= 0 (180deg=-0.212) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 135:sc= -0.576 USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.0365 (180deg=-0.357) USER MOD Single : A 111 SER OG : rot 121:sc= -0.993 USER MOD Single : A 115 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.9!) USER MOD Single : A 116 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-1.5) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 119 HIS : no HE2:sc= -5.89! C(o=-5.9!,f=-12!) USER MOD Single : A 120 HIS : no HD1:sc= 0.0472 K(o=0.047,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.427 0.844 6.864 1.00 0.00 N ATOM 2 CA MET A 1 3.573 0.023 6.384 1.00 0.00 C ATOM 3 C MET A 1 4.848 0.869 6.422 1.00 0.00 C ATOM 4 O MET A 1 5.404 1.206 5.399 1.00 0.00 O ATOM 5 CB MET A 1 3.300 -0.448 4.952 1.00 0.00 C ATOM 6 CG MET A 1 2.049 -1.334 4.928 1.00 0.00 C ATOM 7 SD MET A 1 2.336 -2.832 5.914 1.00 0.00 S ATOM 8 CE MET A 1 1.275 -2.417 7.325 1.00 0.00 C ATOM 0 H1 MET A 1 1.985 0.379 7.683 1.00 0.00 H new ATOM 0 H2 MET A 1 2.768 1.786 7.143 1.00 0.00 H new ATOM 0 H3 MET A 1 1.726 0.941 6.102 1.00 0.00 H new ATOM 0 HA MET A 1 3.699 -0.848 7.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.161 0.412 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.158 -1.003 4.572 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.195 -0.784 5.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.804 -1.605 3.901 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.170 -3.289 7.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.724 -1.600 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.293 -2.112 6.964 1.00 0.00 H new ATOM 20 N ALA A 2 5.302 1.202 7.612 1.00 0.00 N ATOM 21 CA ALA A 2 6.540 2.030 7.785 1.00 0.00 C ATOM 22 C ALA A 2 6.698 3.018 6.628 1.00 0.00 C ATOM 23 O ALA A 2 6.217 4.131 6.688 1.00 0.00 O ATOM 24 CB ALA A 2 7.759 1.119 7.848 1.00 0.00 C ATOM 0 H ALA A 2 4.855 0.928 8.487 1.00 0.00 H new ATOM 0 HA ALA A 2 6.453 2.594 8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.658 1.722 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.660 0.436 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.833 0.546 6.924 1.00 0.00 H new ATOM 30 N GLU A 3 7.368 2.617 5.573 1.00 0.00 N ATOM 31 CA GLU A 3 7.561 3.521 4.403 1.00 0.00 C ATOM 32 C GLU A 3 7.044 2.825 3.147 1.00 0.00 C ATOM 33 O GLU A 3 7.320 1.668 2.904 1.00 0.00 O ATOM 34 CB GLU A 3 9.051 3.821 4.247 1.00 0.00 C ATOM 35 CG GLU A 3 9.253 4.865 3.149 1.00 0.00 C ATOM 36 CD GLU A 3 8.709 6.216 3.620 1.00 0.00 C ATOM 37 OE1 GLU A 3 8.374 6.325 4.788 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.645 7.121 2.804 1.00 0.00 O ATOM 0 H GLU A 3 7.791 1.694 5.476 1.00 0.00 H new ATOM 0 HA GLU A 3 7.016 4.453 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.459 4.186 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.592 2.908 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.312 4.952 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.742 4.553 2.238 1.00 0.00 H new ATOM 45 N ILE A 4 6.291 3.534 2.347 1.00 0.00 N ATOM 46 CA ILE A 4 5.733 2.948 1.092 1.00 0.00 C ATOM 47 C ILE A 4 6.420 3.592 -0.109 1.00 0.00 C ATOM 48 O ILE A 4 6.496 4.799 -0.212 1.00 0.00 O ATOM 49 CB ILE A 4 4.237 3.241 1.034 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.546 2.566 2.221 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.663 2.696 -0.272 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.110 3.071 2.339 1.00 0.00 C ATOM 0 H ILE A 4 6.036 4.508 2.512 1.00 0.00 H new ATOM 0 HA ILE A 4 5.901 1.871 1.075 1.00 0.00 H new ATOM 0 HB ILE A 4 4.070 4.317 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.551 1.484 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.092 2.778 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.594 2.905 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.160 3.175 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.825 1.619 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.623 2.587 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.115 4.150 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.566 2.836 1.424 1.00 0.00 H new ATOM 64 N GLN A 5 6.927 2.798 -1.018 1.00 0.00 N ATOM 65 CA GLN A 5 7.617 3.366 -2.216 1.00 0.00 C ATOM 66 C GLN A 5 7.272 2.542 -3.450 1.00 0.00 C ATOM 67 O GLN A 5 7.028 1.355 -3.371 1.00 0.00 O ATOM 68 CB GLN A 5 9.129 3.333 -1.994 1.00 0.00 C ATOM 69 CG GLN A 5 9.505 4.363 -0.930 1.00 0.00 C ATOM 70 CD GLN A 5 11.004 4.287 -0.648 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.713 3.518 -1.265 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.520 5.065 0.264 1.00 0.00 N ATOM 0 H GLN A 5 6.893 1.779 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 5 7.288 4.395 -2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.440 2.337 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.650 3.550 -2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.239 5.364 -1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.943 4.177 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.923 5.710 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.520 5.028 0.460 1.00 0.00 H new ATOM 81 N PHE A 6 7.261 3.171 -4.596 1.00 0.00 N ATOM 82 CA PHE A 6 6.946 2.454 -5.865 1.00 0.00 C ATOM 83 C PHE A 6 8.235 2.308 -6.673 1.00 0.00 C ATOM 84 O PHE A 6 8.277 1.634 -7.680 1.00 0.00 O ATOM 85 CB PHE A 6 5.932 3.276 -6.662 1.00 0.00 C ATOM 86 CG PHE A 6 4.655 3.417 -5.864 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.668 2.429 -5.948 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.457 4.536 -5.045 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.483 2.559 -5.213 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.273 4.665 -4.310 1.00 0.00 C ATOM 91 CZ PHE A 6 2.285 3.677 -4.394 1.00 0.00 C ATOM 0 H PHE A 6 7.460 4.165 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 6 6.528 1.470 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.343 4.260 -6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.725 2.791 -7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.820 1.566 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.218 5.299 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.721 1.796 -5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.122 5.527 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.371 3.777 -3.828 1.00 0.00 H new ATOM 101 N SER A 7 9.292 2.937 -6.228 1.00 0.00 N ATOM 102 CA SER A 7 10.589 2.837 -6.954 1.00 0.00 C ATOM 103 C SER A 7 11.739 3.101 -5.978 1.00 0.00 C ATOM 104 O SER A 7 12.292 4.180 -5.926 1.00 0.00 O ATOM 105 CB SER A 7 10.627 3.866 -8.087 1.00 0.00 C ATOM 106 OG SER A 7 11.726 3.578 -8.943 1.00 0.00 O ATOM 0 H SER A 7 9.311 3.517 -5.389 1.00 0.00 H new ATOM 0 HA SER A 7 10.693 1.837 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.694 3.839 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.723 4.872 -7.678 1.00 0.00 H new ATOM 0 HG SER A 7 11.754 4.233 -9.671 1.00 0.00 H new ATOM 112 N LYS A 8 12.103 2.108 -5.213 1.00 0.00 N ATOM 113 CA LYS A 8 13.222 2.260 -4.236 1.00 0.00 C ATOM 114 C LYS A 8 13.133 3.596 -3.495 1.00 0.00 C ATOM 115 O LYS A 8 12.143 4.295 -3.557 1.00 0.00 O ATOM 116 CB LYS A 8 14.554 2.182 -4.978 1.00 0.00 C ATOM 117 CG LYS A 8 14.743 0.770 -5.532 1.00 0.00 C ATOM 118 CD LYS A 8 16.053 0.698 -6.315 1.00 0.00 C ATOM 119 CE LYS A 8 16.202 -0.695 -6.930 1.00 0.00 C ATOM 120 NZ LYS A 8 16.247 -1.715 -5.845 1.00 0.00 N ATOM 0 H LYS A 8 11.668 1.186 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 8 13.150 1.456 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.574 2.909 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.374 2.433 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.755 0.047 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.906 0.507 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.064 1.456 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.895 0.909 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.368 -0.899 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.112 -0.745 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.012 -2.393 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.422 -1.245 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.339 -2.220 -5.805 1.00 0.00 H new ATOM 134 N GLY A 9 14.174 3.940 -2.779 1.00 0.00 N ATOM 135 CA GLY A 9 14.176 5.215 -2.007 1.00 0.00 C ATOM 136 C GLY A 9 14.125 6.409 -2.956 1.00 0.00 C ATOM 137 O GLY A 9 15.141 6.941 -3.358 1.00 0.00 O ATOM 0 H GLY A 9 15.027 3.387 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.320 5.241 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.071 5.272 -1.388 1.00 0.00 H new ATOM 141 N VAL A 10 12.945 6.841 -3.310 1.00 0.00 N ATOM 142 CA VAL A 10 12.824 8.008 -4.224 1.00 0.00 C ATOM 143 C VAL A 10 13.067 9.296 -3.432 1.00 0.00 C ATOM 144 O VAL A 10 14.190 9.714 -3.244 1.00 0.00 O ATOM 145 CB VAL A 10 11.415 8.031 -4.825 1.00 0.00 C ATOM 146 CG1 VAL A 10 11.265 9.238 -5.757 1.00 0.00 C ATOM 147 CG2 VAL A 10 11.177 6.740 -5.613 1.00 0.00 C ATOM 0 H VAL A 10 12.061 6.435 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 10 13.560 7.931 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 10 10.682 8.109 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.261 9.248 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.430 10.156 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.997 9.170 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.175 6.755 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.913 6.661 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.274 5.883 -4.946 1.00 0.00 H new ATOM 157 N ALA A 11 12.020 9.920 -2.962 1.00 0.00 N ATOM 158 CA ALA A 11 12.172 11.177 -2.179 1.00 0.00 C ATOM 159 C ALA A 11 10.779 11.734 -1.856 1.00 0.00 C ATOM 160 O ALA A 11 10.464 12.860 -2.176 1.00 0.00 O ATOM 161 CB ALA A 11 12.967 12.208 -2.999 1.00 0.00 C ATOM 0 H ALA A 11 11.057 9.608 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 11 12.710 10.971 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.076 13.126 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.953 11.806 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.436 12.423 -3.926 1.00 0.00 H new ATOM 167 N GLU A 12 9.944 10.948 -1.230 1.00 0.00 N ATOM 168 CA GLU A 12 8.575 11.428 -0.886 1.00 0.00 C ATOM 169 C GLU A 12 7.960 10.504 0.171 1.00 0.00 C ATOM 170 O GLU A 12 7.828 9.314 -0.030 1.00 0.00 O ATOM 171 CB GLU A 12 7.699 11.445 -2.150 1.00 0.00 C ATOM 172 CG GLU A 12 7.881 10.146 -2.944 1.00 0.00 C ATOM 173 CD GLU A 12 7.065 10.224 -4.238 1.00 0.00 C ATOM 174 OE1 GLU A 12 6.011 10.839 -4.216 1.00 0.00 O ATOM 175 OE2 GLU A 12 7.512 9.673 -5.230 1.00 0.00 O ATOM 0 H GLU A 12 10.152 9.992 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 12 8.633 12.440 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.652 11.566 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.964 12.299 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.935 9.992 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.557 9.293 -2.347 1.00 0.00 H new ATOM 182 N THR A 13 7.592 11.045 1.306 1.00 0.00 N ATOM 183 CA THR A 13 6.991 10.201 2.384 1.00 0.00 C ATOM 184 C THR A 13 5.465 10.227 2.255 1.00 0.00 C ATOM 185 O THR A 13 4.793 11.058 2.832 1.00 0.00 O ATOM 186 CB THR A 13 7.409 10.761 3.746 1.00 0.00 C ATOM 187 OG1 THR A 13 8.824 10.885 3.785 1.00 0.00 O ATOM 188 CG2 THR A 13 6.951 9.813 4.857 1.00 0.00 C ATOM 0 H THR A 13 7.682 12.035 1.532 1.00 0.00 H new ATOM 0 HA THR A 13 7.340 9.172 2.292 1.00 0.00 H new ATOM 0 HB THR A 13 6.948 11.738 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.097 11.245 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.250 10.215 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.866 9.713 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.410 8.835 4.713 1.00 0.00 H new ATOM 196 N VAL A 14 4.919 9.326 1.487 1.00 0.00 N ATOM 197 CA VAL A 14 3.441 9.287 1.290 1.00 0.00 C ATOM 198 C VAL A 14 2.755 8.632 2.491 1.00 0.00 C ATOM 199 O VAL A 14 3.197 7.616 2.988 1.00 0.00 O ATOM 200 CB VAL A 14 3.131 8.484 0.031 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.646 8.612 -0.308 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.969 9.024 -1.127 1.00 0.00 C ATOM 0 H VAL A 14 5.438 8.608 0.982 1.00 0.00 H new ATOM 0 HA VAL A 14 3.068 10.306 1.190 1.00 0.00 H new ATOM 0 HB VAL A 14 3.371 7.434 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.427 8.037 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.049 8.230 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.401 9.660 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.752 8.454 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.726 10.074 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.028 8.930 -0.885 1.00 0.00 H new ATOM 212 N VAL A 15 1.672 9.210 2.956 1.00 0.00 N ATOM 213 CA VAL A 15 0.929 8.634 4.127 1.00 0.00 C ATOM 214 C VAL A 15 -0.495 8.241 3.697 1.00 0.00 C ATOM 215 O VAL A 15 -1.439 8.973 3.925 1.00 0.00 O ATOM 216 CB VAL A 15 0.858 9.688 5.240 1.00 0.00 C ATOM 217 CG1 VAL A 15 2.190 9.719 5.995 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.592 11.066 4.626 1.00 0.00 C ATOM 0 H VAL A 15 1.267 10.064 2.572 1.00 0.00 H new ATOM 0 HA VAL A 15 1.448 7.747 4.490 1.00 0.00 H new ATOM 0 HB VAL A 15 0.051 9.435 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.142 10.467 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.383 8.740 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.994 9.973 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.542 11.814 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.399 11.320 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.354 11.047 4.085 1.00 0.00 H new ATOM 228 N PRO A 16 -0.652 7.094 3.076 1.00 0.00 N ATOM 229 CA PRO A 16 -1.981 6.604 2.612 1.00 0.00 C ATOM 230 C PRO A 16 -2.804 5.984 3.747 1.00 0.00 C ATOM 231 O PRO A 16 -2.274 5.581 4.762 1.00 0.00 O ATOM 232 CB PRO A 16 -1.623 5.568 1.543 1.00 0.00 C ATOM 233 CG PRO A 16 -0.306 5.007 1.979 1.00 0.00 C ATOM 234 CD PRO A 16 0.416 6.126 2.754 1.00 0.00 C ATOM 0 HA PRO A 16 -2.611 7.409 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.382 4.789 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.551 6.026 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.449 4.129 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.283 4.689 1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.891 5.742 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.200 6.585 2.152 1.00 0.00 H new ATOM 242 N GLU A 17 -4.096 5.913 3.583 1.00 0.00 N ATOM 243 CA GLU A 17 -4.951 5.330 4.655 1.00 0.00 C ATOM 244 C GLU A 17 -4.862 3.807 4.619 1.00 0.00 C ATOM 245 O GLU A 17 -4.488 3.219 3.621 1.00 0.00 O ATOM 246 CB GLU A 17 -6.395 5.772 4.444 1.00 0.00 C ATOM 247 CG GLU A 17 -6.498 7.270 4.719 1.00 0.00 C ATOM 248 CD GLU A 17 -7.912 7.755 4.401 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.716 6.940 3.982 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.165 8.936 4.578 1.00 0.00 O ATOM 0 H GLU A 17 -4.596 6.233 2.754 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.604 5.680 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.711 5.553 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.059 5.220 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.259 7.475 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.772 7.812 4.113 1.00 0.00 H new ATOM 257 N VAL A 18 -5.201 3.163 5.709 1.00 0.00 N ATOM 258 CA VAL A 18 -5.133 1.672 5.770 1.00 0.00 C ATOM 259 C VAL A 18 -6.545 1.102 5.791 1.00 0.00 C ATOM 260 O VAL A 18 -7.374 1.496 6.586 1.00 0.00 O ATOM 261 CB VAL A 18 -4.409 1.266 7.058 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.509 -0.249 7.261 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.939 1.678 6.961 1.00 0.00 C ATOM 0 H VAL A 18 -5.525 3.612 6.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.599 1.289 4.901 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.875 1.766 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.992 -0.528 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.558 -0.538 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.049 -0.761 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.420 1.391 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.477 1.179 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.872 2.758 6.829 1.00 0.00 H new ATOM 273 N ARG A 19 -6.819 0.168 4.920 1.00 0.00 N ATOM 274 CA ARG A 19 -8.173 -0.456 4.871 1.00 0.00 C ATOM 275 C ARG A 19 -8.009 -1.968 4.745 1.00 0.00 C ATOM 276 O ARG A 19 -7.201 -2.451 3.976 1.00 0.00 O ATOM 277 CB ARG A 19 -8.943 0.087 3.662 1.00 0.00 C ATOM 278 CG ARG A 19 -10.414 -0.359 3.726 1.00 0.00 C ATOM 279 CD ARG A 19 -11.222 0.596 4.614 1.00 0.00 C ATOM 280 NE ARG A 19 -12.651 0.186 4.599 1.00 0.00 N ATOM 281 CZ ARG A 19 -13.565 0.980 5.083 1.00 0.00 C ATOM 282 NH1 ARG A 19 -13.230 2.150 5.556 1.00 0.00 N ATOM 283 NH2 ARG A 19 -14.813 0.604 5.091 1.00 0.00 N ATOM 0 H ARG A 19 -6.156 -0.193 4.234 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.728 -0.220 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.886 1.175 3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.486 -0.272 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.839 -0.380 2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.477 -1.373 4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.837 0.577 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.121 1.620 4.254 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.917 -0.718 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.253 2.443 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.945 2.771 5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.073 -0.310 4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.530 1.223 5.469 1.00 0.00 H new ATOM 297 N LEU A 20 -8.761 -2.720 5.504 1.00 0.00 N ATOM 298 CA LEU A 20 -8.651 -4.210 5.451 1.00 0.00 C ATOM 299 C LEU A 20 -9.808 -4.783 4.641 1.00 0.00 C ATOM 300 O LEU A 20 -10.945 -4.384 4.794 1.00 0.00 O ATOM 301 CB LEU A 20 -8.703 -4.761 6.876 1.00 0.00 C ATOM 302 CG LEU A 20 -7.538 -4.190 7.697 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.636 -4.702 9.136 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.194 -4.622 7.083 1.00 0.00 C ATOM 0 H LEU A 20 -9.453 -2.364 6.164 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.711 -4.492 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.652 -4.498 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.648 -5.849 6.857 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.593 -3.101 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.810 -4.299 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.582 -4.381 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.586 -5.791 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.375 -4.211 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.129 -5.710 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.125 -4.251 6.060 1.00 0.00 H new ATOM 316 N SER A 21 -9.519 -5.722 3.774 1.00 0.00 N ATOM 317 CA SER A 21 -10.586 -6.343 2.934 1.00 0.00 C ATOM 318 C SER A 21 -10.433 -7.859 2.966 1.00 0.00 C ATOM 319 O SER A 21 -9.335 -8.376 2.927 1.00 0.00 O ATOM 320 CB SER A 21 -10.438 -5.859 1.493 1.00 0.00 C ATOM 321 OG SER A 21 -11.411 -6.504 0.683 1.00 0.00 O ATOM 0 H SER A 21 -8.580 -6.087 3.612 1.00 0.00 H new ATOM 0 HA SER A 21 -11.565 -6.062 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.566 -4.778 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.436 -6.078 1.124 1.00 0.00 H new ATOM 0 HG SER A 21 -11.662 -5.915 -0.059 1.00 0.00 H new ATOM 327 N LYS A 22 -11.528 -8.575 3.036 1.00 0.00 N ATOM 328 CA LYS A 22 -11.465 -10.070 3.063 1.00 0.00 C ATOM 329 C LYS A 22 -12.412 -10.620 1.997 1.00 0.00 C ATOM 330 O LYS A 22 -13.560 -10.233 1.910 1.00 0.00 O ATOM 331 CB LYS A 22 -11.879 -10.570 4.455 1.00 0.00 C ATOM 332 CG LYS A 22 -11.334 -11.983 4.685 1.00 0.00 C ATOM 333 CD LYS A 22 -11.610 -12.418 6.122 1.00 0.00 C ATOM 334 CE LYS A 22 -10.915 -13.754 6.383 1.00 0.00 C ATOM 335 NZ LYS A 22 -11.375 -14.758 5.383 1.00 0.00 N ATOM 0 H LYS A 22 -12.470 -8.185 3.076 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.451 -10.411 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.498 -9.895 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.966 -10.571 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.800 -12.680 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.262 -12.005 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.247 -11.663 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.683 -12.514 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.834 -13.632 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.138 -14.101 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.442 -15.692 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.309 -14.482 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.696 -14.801 4.597 1.00 0.00 H new ATOM 349 N SER A 23 -11.933 -11.504 1.168 1.00 0.00 N ATOM 350 CA SER A 23 -12.791 -12.063 0.088 1.00 0.00 C ATOM 351 C SER A 23 -13.845 -13.009 0.675 1.00 0.00 C ATOM 352 O SER A 23 -13.550 -13.850 1.500 1.00 0.00 O ATOM 353 CB SER A 23 -11.906 -12.824 -0.896 1.00 0.00 C ATOM 354 OG SER A 23 -11.233 -11.889 -1.731 1.00 0.00 O ATOM 0 H SER A 23 -10.979 -11.865 1.192 1.00 0.00 H new ATOM 0 HA SER A 23 -13.306 -11.249 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.183 -13.436 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.510 -13.502 -1.500 1.00 0.00 H new ATOM 0 HG SER A 23 -10.661 -12.369 -2.365 1.00 0.00 H new ATOM 360 N LYS A 24 -15.071 -12.875 0.233 1.00 0.00 N ATOM 361 CA LYS A 24 -16.172 -13.751 0.732 1.00 0.00 C ATOM 362 C LYS A 24 -16.086 -13.881 2.258 1.00 0.00 C ATOM 363 O LYS A 24 -16.720 -14.726 2.854 1.00 0.00 O ATOM 364 CB LYS A 24 -16.058 -15.132 0.074 1.00 0.00 C ATOM 365 CG LYS A 24 -15.990 -14.976 -1.454 1.00 0.00 C ATOM 366 CD LYS A 24 -17.300 -14.375 -1.986 1.00 0.00 C ATOM 367 CE LYS A 24 -17.410 -14.623 -3.493 1.00 0.00 C ATOM 368 NZ LYS A 24 -16.326 -13.881 -4.199 1.00 0.00 N ATOM 0 H LYS A 24 -15.358 -12.186 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.135 -13.309 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.167 -15.645 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.915 -15.748 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.151 -14.334 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.812 -15.946 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.151 -14.822 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.329 -13.305 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.332 -15.690 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.385 -14.297 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.515 -13.879 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.293 -12.901 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.413 -14.344 -4.017 1.00 0.00 H new ATOM 382 N ASN A 25 -15.313 -13.039 2.890 1.00 0.00 N ATOM 383 CA ASN A 25 -15.187 -13.094 4.373 1.00 0.00 C ATOM 384 C ASN A 25 -14.832 -14.517 4.807 1.00 0.00 C ATOM 385 O ASN A 25 -15.243 -14.977 5.852 1.00 0.00 O ATOM 386 CB ASN A 25 -16.508 -12.659 5.014 1.00 0.00 C ATOM 387 CG ASN A 25 -16.729 -11.161 4.773 1.00 0.00 C ATOM 388 OD1 ASN A 25 -15.737 -10.417 4.355 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 -17.820 -10.661 4.961 1.00 0.00 N flip ATOM 0 H ASN A 25 -14.760 -12.311 2.438 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.395 -12.419 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.334 -13.231 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.490 -12.867 6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.596 -11.237 5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -17.960 -9.665 4.793 1.00 0.00 H new ATOM 396 N GLY A 26 -14.068 -15.213 4.012 1.00 0.00 N ATOM 397 CA GLY A 26 -13.680 -16.604 4.373 1.00 0.00 C ATOM 398 C GLY A 26 -13.084 -17.294 3.147 1.00 0.00 C ATOM 399 O GLY A 26 -13.537 -18.341 2.731 1.00 0.00 O ATOM 0 H GLY A 26 -13.695 -14.876 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.955 -16.592 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.550 -17.156 4.729 1.00 0.00 H new ATOM 403 N GLN A 27 -12.068 -16.712 2.563 1.00 0.00 N ATOM 404 CA GLN A 27 -11.439 -17.326 1.358 1.00 0.00 C ATOM 405 C GLN A 27 -9.962 -16.937 1.300 1.00 0.00 C ATOM 406 O GLN A 27 -9.091 -17.780 1.253 1.00 0.00 O ATOM 407 CB GLN A 27 -12.143 -16.819 0.098 1.00 0.00 C ATOM 408 CG GLN A 27 -11.527 -17.490 -1.132 1.00 0.00 C ATOM 409 CD GLN A 27 -12.323 -17.101 -2.380 1.00 0.00 C ATOM 410 OE1 GLN A 27 -13.434 -16.622 -2.280 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.795 -17.288 -3.559 1.00 0.00 N ATOM 0 H GLN A 27 -11.647 -15.836 2.871 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.531 -18.411 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.209 -17.039 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.044 -15.736 0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.486 -17.185 -1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.531 -18.573 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.861 -17.691 -3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.316 -17.032 -4.398 1.00 0.00 H new ATOM 420 N SER A 28 -9.667 -15.662 1.301 1.00 0.00 N ATOM 421 CA SER A 28 -8.241 -15.226 1.246 1.00 0.00 C ATOM 422 C SER A 28 -8.085 -13.880 1.954 1.00 0.00 C ATOM 423 O SER A 28 -8.686 -12.894 1.579 1.00 0.00 O ATOM 424 CB SER A 28 -7.804 -15.094 -0.213 1.00 0.00 C ATOM 425 OG SER A 28 -8.524 -14.034 -0.829 1.00 0.00 O ATOM 0 H SER A 28 -10.351 -14.906 1.337 1.00 0.00 H new ATOM 0 HA SER A 28 -7.617 -15.967 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.733 -14.900 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.986 -16.028 -0.744 1.00 0.00 H new ATOM 0 HG SER A 28 -8.781 -13.375 -0.150 1.00 0.00 H new ATOM 431 N GLY A 29 -7.284 -13.839 2.984 1.00 0.00 N ATOM 432 CA GLY A 29 -7.085 -12.568 3.733 1.00 0.00 C ATOM 433 C GLY A 29 -6.192 -11.613 2.941 1.00 0.00 C ATOM 434 O GLY A 29 -5.210 -12.012 2.346 1.00 0.00 O ATOM 0 H GLY A 29 -6.757 -14.636 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.049 -12.098 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.633 -12.777 4.703 1.00 0.00 H new ATOM 438 N MET A 30 -6.513 -10.349 2.947 1.00 0.00 N ATOM 439 CA MET A 30 -5.672 -9.360 2.218 1.00 0.00 C ATOM 440 C MET A 30 -5.992 -7.962 2.738 1.00 0.00 C ATOM 441 O MET A 30 -6.989 -7.756 3.404 1.00 0.00 O ATOM 442 CB MET A 30 -5.949 -9.425 0.714 1.00 0.00 C ATOM 443 CG MET A 30 -7.452 -9.432 0.454 1.00 0.00 C ATOM 444 SD MET A 30 -7.740 -9.337 -1.331 1.00 0.00 S ATOM 445 CE MET A 30 -9.546 -9.321 -1.279 1.00 0.00 C ATOM 0 H MET A 30 -7.324 -9.958 3.427 1.00 0.00 H new ATOM 0 HA MET A 30 -4.620 -9.591 2.385 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.490 -8.571 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.496 -10.322 0.292 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.900 -10.339 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.925 -8.589 0.957 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.941 -9.584 -2.260 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.895 -10.044 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.893 -8.325 -1.004 1.00 0.00 H new ATOM 455 N ALA A 31 -5.158 -7.001 2.440 1.00 0.00 N ATOM 456 CA ALA A 31 -5.403 -5.606 2.915 1.00 0.00 C ATOM 457 C ALA A 31 -5.272 -4.648 1.736 1.00 0.00 C ATOM 458 O ALA A 31 -4.409 -4.801 0.893 1.00 0.00 O ATOM 459 CB ALA A 31 -4.368 -5.246 3.981 1.00 0.00 C ATOM 0 H ALA A 31 -4.312 -7.123 1.884 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.404 -5.530 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.544 -4.228 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.454 -5.937 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.367 -5.315 3.555 1.00 0.00 H new ATOM 465 N LYS A 32 -6.127 -3.661 1.671 1.00 0.00 N ATOM 466 CA LYS A 32 -6.076 -2.676 0.551 1.00 0.00 C ATOM 467 C LYS A 32 -5.532 -1.351 1.072 1.00 0.00 C ATOM 468 O LYS A 32 -5.781 -0.969 2.197 1.00 0.00 O ATOM 469 CB LYS A 32 -7.486 -2.475 -0.003 1.00 0.00 C ATOM 470 CG LYS A 32 -7.951 -3.770 -0.673 1.00 0.00 C ATOM 471 CD LYS A 32 -9.355 -3.577 -1.245 1.00 0.00 C ATOM 472 CE LYS A 32 -9.805 -4.864 -1.938 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.170 -4.676 -2.502 1.00 0.00 N ATOM 0 H LYS A 32 -6.866 -3.494 2.354 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.425 -3.046 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.170 -2.201 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.494 -1.656 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.259 -4.049 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.951 -4.586 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.052 -3.318 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.360 -2.749 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.105 -5.125 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.805 -5.691 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.475 -5.552 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.834 -4.446 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.156 -3.898 -3.193 1.00 0.00 H new ATOM 487 N PHE A 33 -4.787 -0.649 0.257 1.00 0.00 N ATOM 488 CA PHE A 33 -4.210 0.663 0.680 1.00 0.00 C ATOM 489 C PHE A 33 -4.778 1.756 -0.213 1.00 0.00 C ATOM 490 O PHE A 33 -4.839 1.614 -1.419 1.00 0.00 O ATOM 491 CB PHE A 33 -2.690 0.609 0.528 1.00 0.00 C ATOM 492 CG PHE A 33 -2.109 -0.204 1.659 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.747 0.426 2.855 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.945 -1.587 1.519 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.219 -0.325 3.909 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.415 -2.339 2.575 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.052 -1.706 3.770 1.00 0.00 C ATOM 0 H PHE A 33 -4.551 -0.932 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.462 0.872 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.424 0.164 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.275 1.617 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.876 1.493 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.227 -2.074 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.940 0.162 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.286 -3.406 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.643 -2.285 4.585 1.00 0.00 H new ATOM 507 N TYR A 34 -5.210 2.846 0.373 1.00 0.00 N ATOM 508 CA TYR A 34 -5.797 3.956 -0.436 1.00 0.00 C ATOM 509 C TYR A 34 -4.791 5.096 -0.559 1.00 0.00 C ATOM 510 O TYR A 34 -4.298 5.615 0.426 1.00 0.00 O ATOM 511 CB TYR A 34 -7.060 4.466 0.254 1.00 0.00 C ATOM 512 CG TYR A 34 -7.777 5.413 -0.676 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.466 4.910 -1.784 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.746 6.792 -0.436 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.125 5.784 -2.654 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.408 7.667 -1.304 1.00 0.00 C ATOM 517 CZ TYR A 34 -9.096 7.162 -2.414 1.00 0.00 C ATOM 518 OH TYR A 34 -9.746 8.024 -3.274 1.00 0.00 O ATOM 0 H TYR A 34 -5.181 3.014 1.379 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.043 3.587 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.710 3.631 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.803 4.973 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.489 3.846 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.211 7.180 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.656 5.396 -3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.388 8.731 -1.118 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.629 8.946 -2.963 1.00 0.00 H new ATOM 528 N PHE A 35 -4.496 5.495 -1.770 1.00 0.00 N ATOM 529 CA PHE A 35 -3.532 6.610 -2.000 1.00 0.00 C ATOM 530 C PHE A 35 -4.306 7.826 -2.499 1.00 0.00 C ATOM 531 O PHE A 35 -4.883 7.805 -3.568 1.00 0.00 O ATOM 532 CB PHE A 35 -2.522 6.181 -3.062 1.00 0.00 C ATOM 533 CG PHE A 35 -1.676 5.058 -2.516 1.00 0.00 C ATOM 534 CD1 PHE A 35 -2.137 3.739 -2.584 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.431 5.334 -1.946 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.355 2.696 -2.082 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.355 4.291 -1.442 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.108 2.972 -1.510 1.00 0.00 C ATOM 0 H PHE A 35 -4.888 5.089 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.008 6.856 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.040 5.856 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.891 7.024 -3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.099 3.527 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.075 6.352 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.712 1.678 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.318 4.504 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.497 2.167 -1.121 1.00 0.00 H new ATOM 548 N LEU A 36 -4.334 8.882 -1.732 1.00 0.00 N ATOM 549 CA LEU A 36 -5.083 10.104 -2.151 1.00 0.00 C ATOM 550 C LEU A 36 -4.115 11.110 -2.778 1.00 0.00 C ATOM 551 O LEU A 36 -3.171 11.544 -2.151 1.00 0.00 O ATOM 552 CB LEU A 36 -5.750 10.716 -0.915 1.00 0.00 C ATOM 553 CG LEU A 36 -6.465 12.025 -1.279 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.491 11.781 -2.396 1.00 0.00 C ATOM 555 CD2 LEU A 36 -7.175 12.561 -0.032 1.00 0.00 C ATOM 0 H LEU A 36 -3.868 8.952 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.843 9.845 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.465 10.010 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.000 10.906 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.734 12.751 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.990 12.718 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.982 11.397 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.230 11.055 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.687 13.491 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.902 11.827 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.442 12.746 0.753 1.00 0.00 H new ATOM 567 N GLU A 37 -4.358 11.489 -4.010 1.00 0.00 N ATOM 568 CA GLU A 37 -3.471 12.475 -4.704 1.00 0.00 C ATOM 569 C GLU A 37 -2.001 12.208 -4.354 1.00 0.00 C ATOM 570 O GLU A 37 -1.319 13.058 -3.818 1.00 0.00 O ATOM 571 CB GLU A 37 -3.861 13.895 -4.275 1.00 0.00 C ATOM 572 CG GLU A 37 -5.175 14.286 -4.960 1.00 0.00 C ATOM 573 CD GLU A 37 -5.547 15.723 -4.594 1.00 0.00 C ATOM 574 OE1 GLU A 37 -5.701 15.994 -3.415 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.673 16.529 -5.501 1.00 0.00 O ATOM 0 H GLU A 37 -5.142 11.153 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.594 12.372 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.974 13.942 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.073 14.598 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.073 14.192 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.970 13.606 -4.654 1.00 0.00 H new ATOM 582 N PRO A 38 -1.518 11.026 -4.649 1.00 0.00 N ATOM 583 CA PRO A 38 -0.108 10.638 -4.350 1.00 0.00 C ATOM 584 C PRO A 38 0.913 11.484 -5.127 1.00 0.00 C ATOM 585 O PRO A 38 0.683 11.879 -6.253 1.00 0.00 O ATOM 586 CB PRO A 38 -0.027 9.147 -4.742 1.00 0.00 C ATOM 587 CG PRO A 38 -1.199 8.892 -5.647 1.00 0.00 C ATOM 588 CD PRO A 38 -2.268 9.936 -5.298 1.00 0.00 C ATOM 0 HA PRO A 38 0.141 10.808 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.913 8.927 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.069 8.509 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.904 8.976 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.584 7.882 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.787 10.287 -6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.025 9.522 -4.631 1.00 0.00 H new ATOM 596 N THR A 39 2.038 11.766 -4.524 1.00 0.00 N ATOM 597 CA THR A 39 3.076 12.582 -5.214 1.00 0.00 C ATOM 598 C THR A 39 3.878 11.681 -6.150 1.00 0.00 C ATOM 599 O THR A 39 5.025 11.943 -6.452 1.00 0.00 O ATOM 600 CB THR A 39 4.004 13.210 -4.169 1.00 0.00 C ATOM 601 OG1 THR A 39 4.369 12.228 -3.208 1.00 0.00 O ATOM 602 CG2 THR A 39 3.277 14.365 -3.474 1.00 0.00 C ATOM 0 H THR A 39 2.282 11.465 -3.581 1.00 0.00 H new ATOM 0 HA THR A 39 2.603 13.375 -5.794 1.00 0.00 H new ATOM 0 HB THR A 39 4.902 13.588 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.783 11.464 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.935 14.814 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.999 15.117 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.379 13.988 -2.984 1.00 0.00 H new ATOM 610 N ILE A 40 3.275 10.617 -6.614 1.00 0.00 N ATOM 611 CA ILE A 40 3.978 9.676 -7.538 1.00 0.00 C ATOM 612 C ILE A 40 3.487 9.928 -8.968 1.00 0.00 C ATOM 613 O ILE A 40 4.150 9.599 -9.931 1.00 0.00 O ATOM 614 CB ILE A 40 3.651 8.234 -7.111 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.664 7.261 -7.744 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.221 7.855 -7.553 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.077 7.489 -7.175 1.00 0.00 C ATOM 0 H ILE A 40 2.315 10.357 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 40 5.056 9.830 -7.498 1.00 0.00 H new ATOM 0 HB ILE A 40 3.714 8.167 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.353 6.233 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.677 7.397 -8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.004 6.832 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.505 8.534 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.143 7.931 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.773 6.790 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.394 8.510 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.065 7.329 -6.097 1.00 0.00 H new ATOM 629 N LEU A 41 2.327 10.510 -9.104 1.00 0.00 N ATOM 630 CA LEU A 41 1.779 10.792 -10.457 1.00 0.00 C ATOM 631 C LEU A 41 2.685 11.794 -11.176 1.00 0.00 C ATOM 632 O LEU A 41 2.960 11.670 -12.351 1.00 0.00 O ATOM 633 CB LEU A 41 0.372 11.385 -10.314 1.00 0.00 C ATOM 634 CG LEU A 41 -0.596 10.320 -9.769 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.929 10.990 -9.413 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.831 9.212 -10.816 1.00 0.00 C ATOM 0 H LEU A 41 1.733 10.804 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 41 1.732 9.869 -11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.397 12.243 -9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.021 11.747 -11.281 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.160 9.864 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.620 10.242 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.761 11.755 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.354 11.450 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.518 8.469 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.259 9.649 -11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.118 8.734 -11.059 1.00 0.00 H new ATOM 648 N ALA A 42 3.150 12.784 -10.468 1.00 0.00 N ATOM 649 CA ALA A 42 4.039 13.804 -11.090 1.00 0.00 C ATOM 650 C ALA A 42 5.358 13.151 -11.502 1.00 0.00 C ATOM 651 O ALA A 42 5.966 13.525 -12.484 1.00 0.00 O ATOM 652 CB ALA A 42 4.313 14.915 -10.076 1.00 0.00 C ATOM 0 H ALA A 42 2.951 12.932 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 42 3.555 14.223 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.964 15.665 -10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.372 15.380 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.799 14.493 -9.196 1.00 0.00 H new ATOM 658 N LYS A 43 5.810 12.186 -10.749 1.00 0.00 N ATOM 659 CA LYS A 43 7.097 11.513 -11.081 1.00 0.00 C ATOM 660 C LYS A 43 6.846 10.342 -12.031 1.00 0.00 C ATOM 661 O LYS A 43 7.288 10.350 -13.162 1.00 0.00 O ATOM 662 CB LYS A 43 7.736 10.980 -9.797 1.00 0.00 C ATOM 663 CG LYS A 43 8.176 12.149 -8.914 1.00 0.00 C ATOM 664 CD LYS A 43 8.821 11.604 -7.637 1.00 0.00 C ATOM 665 CE LYS A 43 9.276 12.771 -6.758 1.00 0.00 C ATOM 666 NZ LYS A 43 9.895 12.242 -5.511 1.00 0.00 N ATOM 0 H LYS A 43 5.341 11.833 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 43 7.760 12.233 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.025 10.353 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.594 10.353 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.884 12.780 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.318 12.774 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.109 10.982 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.672 10.971 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.993 13.389 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.426 13.408 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.630 12.847 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.558 11.273 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.930 12.236 -5.613 1.00 0.00 H new ATOM 680 N GLU A 44 6.152 9.325 -11.574 1.00 0.00 N ATOM 681 CA GLU A 44 5.880 8.128 -12.439 1.00 0.00 C ATOM 682 C GLU A 44 4.388 8.025 -12.753 1.00 0.00 C ATOM 683 O GLU A 44 3.543 8.320 -11.933 1.00 0.00 O ATOM 684 CB GLU A 44 6.343 6.866 -11.712 1.00 0.00 C ATOM 685 CG GLU A 44 7.869 6.869 -11.630 1.00 0.00 C ATOM 686 CD GLU A 44 8.345 5.643 -10.853 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.502 4.870 -10.430 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.546 5.498 -10.691 1.00 0.00 O ATOM 0 H GLU A 44 5.760 9.272 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 44 6.425 8.234 -13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.913 6.829 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.996 5.978 -12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.297 6.865 -12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.215 7.779 -11.140 1.00 0.00 H new ATOM 695 N SER A 45 4.069 7.610 -13.948 1.00 0.00 N ATOM 696 CA SER A 45 2.641 7.487 -14.352 1.00 0.00 C ATOM 697 C SER A 45 2.050 6.184 -13.806 1.00 0.00 C ATOM 698 O SER A 45 2.757 5.315 -13.339 1.00 0.00 O ATOM 699 CB SER A 45 2.557 7.482 -15.877 1.00 0.00 C ATOM 700 OG SER A 45 1.202 7.331 -16.273 1.00 0.00 O ATOM 0 H SER A 45 4.743 7.349 -14.668 1.00 0.00 H new ATOM 0 HA SER A 45 2.077 8.328 -13.948 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.963 8.411 -16.278 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.159 6.669 -16.283 1.00 0.00 H new ATOM 0 HG SER A 45 1.145 7.329 -17.251 1.00 0.00 H new ATOM 706 N THR A 46 0.752 6.048 -13.865 1.00 0.00 N ATOM 707 CA THR A 46 0.095 4.810 -13.356 1.00 0.00 C ATOM 708 C THR A 46 0.522 3.609 -14.207 1.00 0.00 C ATOM 709 O THR A 46 0.687 2.513 -13.711 1.00 0.00 O ATOM 710 CB THR A 46 -1.422 4.984 -13.453 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.774 5.259 -14.801 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.866 6.146 -12.564 1.00 0.00 C ATOM 0 H THR A 46 0.115 6.747 -14.247 1.00 0.00 H new ATOM 0 HA THR A 46 0.389 4.637 -12.321 1.00 0.00 H new ATOM 0 HB THR A 46 -1.915 4.070 -13.122 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.750 5.306 -14.881 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.947 6.267 -12.636 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.592 5.938 -11.530 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.376 7.063 -12.892 1.00 0.00 H new ATOM 720 N ASP A 47 0.696 3.805 -15.485 1.00 0.00 N ATOM 721 CA ASP A 47 1.107 2.679 -16.371 1.00 0.00 C ATOM 722 C ASP A 47 2.507 2.197 -15.982 1.00 0.00 C ATOM 723 O ASP A 47 2.796 1.019 -15.994 1.00 0.00 O ATOM 724 CB ASP A 47 1.118 3.164 -17.822 1.00 0.00 C ATOM 725 CG ASP A 47 1.518 2.015 -18.747 1.00 0.00 C ATOM 726 OD1 ASP A 47 1.871 0.964 -18.238 1.00 0.00 O ATOM 727 OD2 ASP A 47 1.465 2.205 -19.951 1.00 0.00 O ATOM 0 H ASP A 47 0.571 4.701 -15.956 1.00 0.00 H new ATOM 0 HA ASP A 47 0.403 1.854 -16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.132 3.539 -18.098 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.817 3.993 -17.933 1.00 0.00 H new ATOM 732 N ASP A 48 3.380 3.106 -15.649 1.00 0.00 N ATOM 733 CA ASP A 48 4.766 2.722 -15.264 1.00 0.00 C ATOM 734 C ASP A 48 4.745 1.904 -13.971 1.00 0.00 C ATOM 735 O ASP A 48 5.545 1.010 -13.781 1.00 0.00 O ATOM 736 CB ASP A 48 5.589 3.994 -15.052 1.00 0.00 C ATOM 737 CG ASP A 48 7.075 3.646 -14.952 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.452 2.591 -15.438 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.811 4.441 -14.393 1.00 0.00 O ATOM 0 H ASP A 48 3.190 4.108 -15.627 1.00 0.00 H new ATOM 0 HA ASP A 48 5.210 2.117 -16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.424 4.686 -15.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.264 4.500 -14.143 1.00 0.00 H new ATOM 744 N ILE A 49 3.849 2.208 -13.072 1.00 0.00 N ATOM 745 CA ILE A 49 3.797 1.453 -11.786 1.00 0.00 C ATOM 746 C ILE A 49 3.126 0.095 -12.003 1.00 0.00 C ATOM 747 O ILE A 49 2.026 0.009 -12.508 1.00 0.00 O ATOM 748 CB ILE A 49 3.005 2.263 -10.757 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.764 3.555 -10.443 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.833 1.445 -9.474 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.877 4.487 -9.615 1.00 0.00 C ATOM 0 H ILE A 49 3.151 2.945 -13.171 1.00 0.00 H new ATOM 0 HA ILE A 49 4.811 1.290 -11.421 1.00 0.00 H new ATOM 0 HB ILE A 49 2.022 2.503 -11.162 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.679 3.327 -9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.061 4.048 -11.369 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.269 2.026 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.295 0.524 -9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.813 1.201 -9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.421 5.405 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.975 4.726 -10.178 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.602 3.994 -8.682 1.00 0.00 H new ATOM 763 N THR A 50 3.791 -0.967 -11.614 1.00 0.00 N ATOM 764 CA THR A 50 3.221 -2.343 -11.778 1.00 0.00 C ATOM 765 C THR A 50 3.242 -3.053 -10.422 1.00 0.00 C ATOM 766 O THR A 50 2.828 -4.187 -10.300 1.00 0.00 O ATOM 767 CB THR A 50 4.084 -3.126 -12.780 1.00 0.00 C ATOM 768 OG1 THR A 50 4.427 -2.278 -13.867 1.00 0.00 O ATOM 769 CG2 THR A 50 3.311 -4.341 -13.304 1.00 0.00 C ATOM 0 H THR A 50 4.716 -0.939 -11.185 1.00 0.00 H new ATOM 0 HA THR A 50 2.197 -2.284 -12.146 1.00 0.00 H new ATOM 0 HB THR A 50 4.989 -3.470 -12.280 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.979 -2.774 -14.507 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.932 -4.889 -14.013 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.050 -4.993 -12.471 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.401 -4.006 -13.801 1.00 0.00 H new ATOM 777 N GLY A 51 3.724 -2.397 -9.400 1.00 0.00 N ATOM 778 CA GLY A 51 3.771 -3.048 -8.062 1.00 0.00 C ATOM 779 C GLY A 51 4.061 -2.004 -6.983 1.00 0.00 C ATOM 780 O GLY A 51 4.127 -0.822 -7.255 1.00 0.00 O ATOM 0 H GLY A 51 4.085 -1.444 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.822 -3.543 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.541 -3.819 -8.050 1.00 0.00 H new ATOM 784 N MET A 52 4.228 -2.435 -5.757 1.00 0.00 N ATOM 785 CA MET A 52 4.515 -1.480 -4.641 1.00 0.00 C ATOM 786 C MET A 52 5.637 -2.040 -3.772 1.00 0.00 C ATOM 787 O MET A 52 5.651 -3.210 -3.444 1.00 0.00 O ATOM 788 CB MET A 52 3.255 -1.299 -3.790 1.00 0.00 C ATOM 789 CG MET A 52 3.537 -0.298 -2.668 1.00 0.00 C ATOM 790 SD MET A 52 2.006 0.035 -1.760 1.00 0.00 S ATOM 791 CE MET A 52 1.777 -1.621 -1.062 1.00 0.00 C ATOM 0 H MET A 52 4.177 -3.415 -5.479 1.00 0.00 H new ATOM 0 HA MET A 52 4.818 -0.517 -5.053 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.432 -0.944 -4.410 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.947 -2.256 -3.369 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.294 -0.696 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.935 0.628 -3.083 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.326 -1.540 -0.073 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.124 -2.203 -1.712 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.744 -2.118 -0.980 1.00 0.00 H new ATOM 801 N TYR A 53 6.579 -1.212 -3.392 1.00 0.00 N ATOM 802 CA TYR A 53 7.710 -1.685 -2.536 1.00 0.00 C ATOM 803 C TYR A 53 7.522 -1.164 -1.113 1.00 0.00 C ATOM 804 O TYR A 53 7.533 0.026 -0.868 1.00 0.00 O ATOM 805 CB TYR A 53 9.024 -1.145 -3.106 1.00 0.00 C ATOM 806 CG TYR A 53 9.280 -1.776 -4.455 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.721 -1.216 -5.611 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.073 -2.924 -4.549 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.959 -1.805 -6.859 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.310 -3.513 -5.796 1.00 0.00 C ATOM 811 CZ TYR A 53 9.754 -2.953 -6.952 1.00 0.00 C ATOM 812 OH TYR A 53 9.987 -3.535 -8.182 1.00 0.00 O ATOM 0 H TYR A 53 6.613 -0.223 -3.640 1.00 0.00 H new ATOM 0 HA TYR A 53 7.733 -2.775 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.973 -0.060 -3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.847 -1.366 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.107 -0.330 -5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.503 -3.357 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.529 -1.373 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.922 -4.400 -5.866 1.00 0.00 H new ATOM 0 HH TYR A 53 10.559 -4.322 -8.068 1.00 0.00 H new ATOM 822 N LEU A 54 7.352 -2.050 -0.167 1.00 0.00 N ATOM 823 CA LEU A 54 7.167 -1.622 1.250 1.00 0.00 C ATOM 824 C LEU A 54 8.508 -1.702 1.969 1.00 0.00 C ATOM 825 O LEU A 54 9.070 -2.764 2.126 1.00 0.00 O ATOM 826 CB LEU A 54 6.155 -2.552 1.921 1.00 0.00 C ATOM 827 CG LEU A 54 4.818 -2.476 1.170 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.820 -3.450 1.806 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.260 -1.041 1.233 1.00 0.00 C ATOM 0 H LEU A 54 7.333 -3.059 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 54 6.797 -0.598 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.528 -3.576 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.016 -2.265 2.963 1.00 0.00 H new ATOM 0 HG LEU A 54 4.975 -2.748 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.870 -3.397 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.213 -4.465 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.666 -3.182 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.311 -0.996 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.104 -0.757 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.970 -0.354 0.772 1.00 0.00 H new ATOM 841 N ILE A 55 9.026 -0.575 2.392 1.00 0.00 N ATOM 842 CA ILE A 55 10.348 -0.551 3.092 1.00 0.00 C ATOM 843 C ILE A 55 10.141 -0.249 4.571 1.00 0.00 C ATOM 844 O ILE A 55 9.430 0.666 4.937 1.00 0.00 O ATOM 845 CB ILE A 55 11.234 0.539 2.477 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.604 0.154 1.032 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.514 0.689 3.309 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.417 0.378 0.080 1.00 0.00 C ATOM 0 H ILE A 55 8.585 0.338 2.281 1.00 0.00 H new ATOM 0 HA ILE A 55 10.829 -1.523 2.981 1.00 0.00 H new ATOM 0 HB ILE A 55 10.690 1.484 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.457 0.747 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.910 -0.892 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.144 1.464 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.254 0.967 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.056 -0.257 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.705 0.098 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.574 -0.235 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.129 1.429 0.098 1.00 0.00 H new ATOM 860 N ASP A 56 10.773 -1.014 5.419 1.00 0.00 N ATOM 861 CA ASP A 56 10.652 -0.800 6.887 1.00 0.00 C ATOM 862 C ASP A 56 12.058 -0.649 7.467 1.00 0.00 C ATOM 863 O ASP A 56 12.383 -1.211 8.492 1.00 0.00 O ATOM 864 CB ASP A 56 9.950 -2.008 7.505 1.00 0.00 C ATOM 865 CG ASP A 56 9.546 -1.684 8.941 1.00 0.00 C ATOM 866 OD1 ASP A 56 10.278 -0.957 9.593 1.00 0.00 O ATOM 867 OD2 ASP A 56 8.505 -2.158 9.361 1.00 0.00 O ATOM 0 H ASP A 56 11.378 -1.790 5.151 1.00 0.00 H new ATOM 0 HA ASP A 56 10.071 0.096 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.069 -2.269 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.612 -2.874 7.489 1.00 0.00 H new ATOM 872 N ASP A 57 12.894 0.107 6.799 1.00 0.00 N ATOM 873 CA ASP A 57 14.291 0.311 7.279 1.00 0.00 C ATOM 874 C ASP A 57 14.970 -1.045 7.474 1.00 0.00 C ATOM 875 O ASP A 57 16.085 -1.127 7.945 1.00 0.00 O ATOM 876 CB ASP A 57 14.273 1.082 8.602 1.00 0.00 C ATOM 877 CG ASP A 57 13.790 2.510 8.346 1.00 0.00 C ATOM 878 OD1 ASP A 57 14.334 3.148 7.460 1.00 0.00 O ATOM 879 OD2 ASP A 57 12.883 2.940 9.039 1.00 0.00 O ATOM 0 H ASP A 57 12.663 0.595 5.934 1.00 0.00 H new ATOM 0 HA ASP A 57 14.848 0.886 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.616 0.586 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.270 1.096 9.042 1.00 0.00 H new ATOM 884 N GLU A 58 14.306 -2.111 7.108 1.00 0.00 N ATOM 885 CA GLU A 58 14.905 -3.470 7.264 1.00 0.00 C ATOM 886 C GLU A 58 14.425 -4.374 6.126 1.00 0.00 C ATOM 887 O GLU A 58 14.867 -4.262 5.001 1.00 0.00 O ATOM 888 CB GLU A 58 14.472 -4.078 8.603 1.00 0.00 C ATOM 889 CG GLU A 58 15.140 -3.334 9.763 1.00 0.00 C ATOM 890 CD GLU A 58 14.667 -3.933 11.090 1.00 0.00 C ATOM 891 OE1 GLU A 58 13.853 -4.842 11.049 1.00 0.00 O ATOM 892 OE2 GLU A 58 15.129 -3.474 12.121 1.00 0.00 O ATOM 0 H GLU A 58 13.369 -2.098 6.705 1.00 0.00 H new ATOM 0 HA GLU A 58 15.991 -3.386 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.388 -4.023 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.741 -5.134 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.224 -3.411 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.891 -2.274 9.721 1.00 0.00 H new ATOM 899 N GLY A 59 13.526 -5.278 6.416 1.00 0.00 N ATOM 900 CA GLY A 59 13.019 -6.198 5.361 1.00 0.00 C ATOM 901 C GLY A 59 12.016 -5.465 4.475 1.00 0.00 C ATOM 902 O GLY A 59 11.521 -4.411 4.826 1.00 0.00 O ATOM 0 H GLY A 59 13.121 -5.417 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.849 -6.567 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.546 -7.067 5.819 1.00 0.00 H new ATOM 906 N GLU A 60 11.708 -6.012 3.322 1.00 0.00 N ATOM 907 CA GLU A 60 10.734 -5.345 2.405 1.00 0.00 C ATOM 908 C GLU A 60 9.809 -6.381 1.774 1.00 0.00 C ATOM 909 O GLU A 60 10.157 -7.535 1.619 1.00 0.00 O ATOM 910 CB GLU A 60 11.496 -4.600 1.307 1.00 0.00 C ATOM 911 CG GLU A 60 12.338 -5.589 0.497 1.00 0.00 C ATOM 912 CD GLU A 60 13.181 -4.819 -0.520 1.00 0.00 C ATOM 913 OE1 GLU A 60 14.131 -4.176 -0.107 1.00 0.00 O ATOM 914 OE2 GLU A 60 12.859 -4.880 -1.696 1.00 0.00 O ATOM 0 H GLU A 60 12.091 -6.893 2.978 1.00 0.00 H new ATOM 0 HA GLU A 60 10.133 -4.639 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.795 -4.083 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.138 -3.839 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.984 -6.164 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.691 -6.302 -0.015 1.00 0.00 H new ATOM 921 N ILE A 61 8.622 -5.962 1.407 1.00 0.00 N ATOM 922 CA ILE A 61 7.632 -6.889 0.776 1.00 0.00 C ATOM 923 C ILE A 61 7.330 -6.402 -0.639 1.00 0.00 C ATOM 924 O ILE A 61 7.132 -5.226 -0.867 1.00 0.00 O ATOM 925 CB ILE A 61 6.341 -6.895 1.596 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.630 -7.475 2.982 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.288 -7.752 0.889 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.429 -7.238 3.898 1.00 0.00 C ATOM 0 H ILE A 61 8.293 -5.003 1.520 1.00 0.00 H new ATOM 0 HA ILE A 61 8.042 -7.898 0.742 1.00 0.00 H new ATOM 0 HB ILE A 61 5.965 -5.877 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.836 -8.543 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.520 -7.008 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.369 -7.755 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.087 -7.339 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.657 -8.772 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.637 -7.652 4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.244 -6.167 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.549 -7.726 3.478 1.00 0.00 H new ATOM 940 N ILE A 62 7.302 -7.296 -1.595 1.00 0.00 N ATOM 941 CA ILE A 62 7.024 -6.887 -3.006 1.00 0.00 C ATOM 942 C ILE A 62 5.597 -7.277 -3.368 1.00 0.00 C ATOM 943 O ILE A 62 5.203 -8.418 -3.233 1.00 0.00 O ATOM 944 CB ILE A 62 7.996 -7.618 -3.933 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.439 -7.367 -3.471 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.813 -7.121 -5.368 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.713 -5.862 -3.351 1.00 0.00 C ATOM 0 H ILE A 62 7.460 -8.294 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 62 7.147 -5.809 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 62 7.792 -8.688 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.608 -7.851 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.136 -7.814 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.507 -7.644 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.790 -7.314 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.011 -6.050 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.740 -5.704 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.565 -5.387 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.029 -5.424 -2.624 1.00 0.00 H new ATOM 959 N THR A 63 4.818 -6.330 -3.826 1.00 0.00 N ATOM 960 CA THR A 63 3.401 -6.615 -4.208 1.00 0.00 C ATOM 961 C THR A 63 3.183 -6.208 -5.662 1.00 0.00 C ATOM 962 O THR A 63 3.429 -5.082 -6.047 1.00 0.00 O ATOM 963 CB THR A 63 2.468 -5.819 -3.300 1.00 0.00 C ATOM 964 OG1 THR A 63 2.672 -6.225 -1.954 1.00 0.00 O ATOM 965 CG2 THR A 63 1.018 -6.080 -3.702 1.00 0.00 C ATOM 0 H THR A 63 5.107 -5.360 -3.953 1.00 0.00 H new ATOM 0 HA THR A 63 3.191 -7.679 -4.097 1.00 0.00 H new ATOM 0 HB THR A 63 2.680 -4.754 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.645 -5.440 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.352 -5.511 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.866 -5.772 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.799 -7.143 -3.604 1.00 0.00 H new ATOM 973 N ARG A 64 2.725 -7.122 -6.472 1.00 0.00 N ATOM 974 CA ARG A 64 2.489 -6.816 -7.912 1.00 0.00 C ATOM 975 C ARG A 64 0.997 -6.563 -8.134 1.00 0.00 C ATOM 976 O ARG A 64 0.577 -6.140 -9.190 1.00 0.00 O ATOM 977 CB ARG A 64 2.930 -8.028 -8.746 1.00 0.00 C ATOM 978 CG ARG A 64 3.205 -7.613 -10.202 1.00 0.00 C ATOM 979 CD ARG A 64 4.650 -7.125 -10.346 1.00 0.00 C ATOM 980 NE ARG A 64 4.863 -6.639 -11.738 1.00 0.00 N ATOM 981 CZ ARG A 64 6.041 -6.228 -12.111 1.00 0.00 C ATOM 982 NH1 ARG A 64 7.031 -6.219 -11.260 1.00 0.00 N ATOM 983 NH2 ARG A 64 6.226 -5.819 -13.335 1.00 0.00 N ATOM 0 H ARG A 64 2.502 -8.078 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 64 3.054 -5.932 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.828 -8.468 -8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.156 -8.795 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.030 -8.458 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.515 -6.824 -10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.850 -6.325 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.345 -7.934 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 64 4.086 -6.628 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.882 -6.534 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.953 -5.897 -11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.450 -5.822 -13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.147 -5.496 -13.631 1.00 0.00 H new ATOM 997 N GLU A 65 0.192 -6.828 -7.144 1.00 0.00 N ATOM 998 CA GLU A 65 -1.270 -6.611 -7.296 1.00 0.00 C ATOM 999 C GLU A 65 -1.593 -5.143 -7.023 1.00 0.00 C ATOM 1000 O GLU A 65 -2.102 -4.799 -5.975 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.016 -7.503 -6.297 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.783 -8.977 -6.646 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.393 -9.289 -8.015 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.240 -8.527 -8.450 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.000 -10.282 -8.605 1.00 0.00 O ATOM 0 H GLU A 65 0.485 -7.186 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.581 -6.864 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.669 -7.300 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.082 -7.278 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.715 -9.193 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.230 -9.616 -5.884 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.294 -4.272 -7.961 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.573 -2.811 -7.769 1.00 0.00 C ATOM 1014 C VAL A 66 -2.470 -2.304 -8.899 1.00 0.00 C ATOM 1015 O VAL A 66 -2.244 -2.589 -10.058 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.251 -2.031 -7.776 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.536 -0.525 -7.823 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.537 -2.360 -6.507 1.00 0.00 C ATOM 0 H VAL A 66 -0.867 -4.512 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.078 -2.664 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 66 0.330 -2.314 -8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.406 0.024 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.098 -0.289 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.119 -0.238 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.477 -1.808 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.048 -2.078 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.745 -3.430 -6.475 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.487 -1.547 -8.561 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.416 -0.998 -9.597 1.00 0.00 C ATOM 1030 C LYS A 67 -4.512 0.518 -9.431 1.00 0.00 C ATOM 1031 O LYS A 67 -4.569 1.031 -8.331 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.798 -1.621 -9.417 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.732 -3.111 -9.756 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.120 -3.729 -9.603 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.071 -5.205 -10.004 1.00 0.00 C ATOM 1036 NZ LYS A 67 -6.171 -5.943 -9.075 1.00 0.00 N ATOM 0 H LYS A 67 -3.714 -1.284 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.040 -1.233 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.139 -1.485 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.521 -1.122 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.372 -3.247 -10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.024 -3.614 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.460 -3.633 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.837 -3.196 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.073 -5.634 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.712 -5.303 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.376 -6.961 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.181 -5.774 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.327 -5.610 -8.102 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.520 1.244 -10.521 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.599 2.734 -10.440 1.00 0.00 C ATOM 1052 C GLY A 68 -6.044 3.201 -10.623 1.00 0.00 C ATOM 1053 O GLY A 68 -6.750 2.735 -11.494 1.00 0.00 O ATOM 0 H GLY A 68 -4.475 0.866 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.220 3.073 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.966 3.181 -11.207 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.482 4.132 -9.812 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.878 4.658 -9.933 1.00 0.00 C ATOM 1059 C LYS A 69 -7.842 6.022 -10.625 1.00 0.00 C ATOM 1060 O LYS A 69 -7.140 6.926 -10.201 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.482 4.805 -8.538 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.775 3.418 -7.964 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.371 3.559 -6.563 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.676 2.170 -5.997 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.825 1.575 -6.731 1.00 0.00 N ATOM 0 H LYS A 69 -5.929 4.553 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.485 3.969 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.793 5.343 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.399 5.392 -8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.469 2.884 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.859 2.829 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.674 4.084 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.282 4.156 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.800 1.528 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.908 2.242 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.216 0.783 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.561 2.297 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.503 1.228 -7.657 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.589 6.175 -11.695 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.602 7.471 -12.441 1.00 0.00 C ATOM 1081 C PHE A 70 -9.939 8.177 -12.226 1.00 0.00 C ATOM 1082 O PHE A 70 -10.975 7.548 -12.147 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.440 7.185 -13.934 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.210 6.340 -14.153 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.311 4.946 -14.105 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -5.973 6.945 -14.405 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.176 4.154 -14.307 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -4.837 6.152 -14.607 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.939 4.757 -14.558 1.00 0.00 C ATOM 0 H PHE A 70 -9.193 5.451 -12.084 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.790 8.102 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.321 6.669 -14.314 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.355 8.120 -14.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.266 4.481 -13.912 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.895 8.021 -14.444 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.255 3.078 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.882 6.617 -14.801 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.062 4.146 -14.714 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.920 9.484 -12.144 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.183 10.265 -11.949 1.00 0.00 C ATOM 1101 C ILE A 71 -11.362 11.226 -13.128 1.00 0.00 C ATOM 1102 O ILE A 71 -10.460 11.956 -13.492 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.093 11.046 -10.635 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.009 10.050 -9.468 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.336 11.927 -10.470 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.773 10.796 -8.150 1.00 0.00 C ATOM 0 H ILE A 71 -9.074 10.051 -12.204 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.040 9.593 -11.903 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.207 11.680 -10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.931 9.472 -9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.200 9.341 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.268 12.481 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.398 12.628 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.227 11.300 -10.456 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.715 10.079 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.839 11.354 -8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.597 11.487 -7.970 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.519 11.217 -13.734 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.777 12.106 -14.904 1.00 0.00 C ATOM 1120 C ASN A 72 -11.744 11.817 -15.996 1.00 0.00 C ATOM 1121 O ASN A 72 -11.359 12.687 -16.748 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.692 13.577 -14.478 1.00 0.00 C ATOM 1123 CG ASN A 72 -13.606 13.816 -13.272 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -13.312 14.638 -12.427 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -14.713 13.132 -13.159 1.00 0.00 N ATOM 0 H ASN A 72 -13.305 10.625 -13.465 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.778 11.913 -15.290 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.664 13.834 -14.224 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.987 14.223 -15.305 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.330 13.288 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.961 12.442 -13.868 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.309 10.588 -16.095 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.318 10.225 -17.146 1.00 0.00 C ATOM 1134 C GLY A 73 -8.972 10.872 -16.838 1.00 0.00 C ATOM 1135 O GLY A 73 -8.158 11.061 -17.720 1.00 0.00 O ATOM 0 H GLY A 73 -11.599 9.819 -15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.208 9.142 -17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.674 10.554 -18.122 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.723 11.214 -15.596 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.420 11.850 -15.234 1.00 0.00 C ATOM 1141 C ARG A 74 -6.883 11.229 -13.924 1.00 0.00 C ATOM 1142 O ARG A 74 -7.585 11.195 -12.931 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.625 13.351 -15.029 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.260 14.021 -14.860 1.00 0.00 C ATOM 1145 CD ARG A 74 -6.447 15.510 -14.569 1.00 0.00 C ATOM 1146 NE ARG A 74 -5.117 16.133 -14.301 1.00 0.00 N ATOM 1147 CZ ARG A 74 -5.041 17.387 -13.944 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -6.128 18.101 -13.829 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -3.878 17.927 -13.707 1.00 0.00 N ATOM 0 H ARG A 74 -9.368 11.079 -14.818 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.704 11.682 -16.038 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.152 13.779 -15.882 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.244 13.530 -14.150 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.711 13.548 -14.046 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.666 13.890 -15.764 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.927 16.000 -15.416 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.104 15.644 -13.710 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.266 15.578 -14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.037 17.680 -14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.068 19.080 -13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.029 17.370 -13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.818 18.906 -13.428 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.645 10.761 -13.899 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.044 10.166 -12.662 1.00 0.00 C ATOM 1165 C PRO A 75 -5.237 11.056 -11.428 1.00 0.00 C ATOM 1166 O PRO A 75 -5.059 12.256 -11.478 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.547 10.066 -13.004 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.488 9.956 -14.493 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.701 10.712 -15.036 1.00 0.00 C ATOM 0 HA PRO A 75 -5.509 9.214 -12.408 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.004 10.944 -12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.092 9.198 -12.527 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.562 10.384 -14.877 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.511 8.912 -14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.428 11.713 -15.369 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.138 10.199 -15.893 1.00 0.00 H new ATOM 1177 N THR A 76 -5.600 10.465 -10.320 1.00 0.00 N ATOM 1178 CA THR A 76 -5.809 11.260 -9.076 1.00 0.00 C ATOM 1179 C THR A 76 -5.594 10.371 -7.855 1.00 0.00 C ATOM 1180 O THR A 76 -5.132 10.824 -6.828 1.00 0.00 O ATOM 1181 CB THR A 76 -7.239 11.804 -9.048 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.580 12.305 -10.332 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.348 12.921 -8.010 1.00 0.00 C ATOM 0 H THR A 76 -5.761 9.462 -10.224 1.00 0.00 H new ATOM 0 HA THR A 76 -5.099 12.087 -9.059 1.00 0.00 H new ATOM 0 HB THR A 76 -7.926 11.001 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.336 12.923 -10.252 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.368 13.305 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.092 12.529 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.661 13.727 -8.269 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.945 9.109 -7.941 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.777 8.208 -6.761 1.00 0.00 C ATOM 1193 C ALA A 77 -5.343 6.820 -7.215 1.00 0.00 C ATOM 1194 O ALA A 77 -5.640 6.389 -8.311 1.00 0.00 O ATOM 1195 CB ALA A 77 -7.107 8.101 -6.017 1.00 0.00 C ATOM 0 H ALA A 77 -6.338 8.668 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.013 8.622 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.990 7.444 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.416 9.091 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.865 7.692 -6.684 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.640 6.117 -6.365 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.166 4.742 -6.706 1.00 0.00 C ATOM 1203 C ILE A 78 -4.515 3.797 -5.560 1.00 0.00 C ATOM 1204 O ILE A 78 -4.817 4.224 -4.464 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.650 4.768 -6.910 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.330 5.568 -8.173 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.120 3.337 -7.055 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.826 5.834 -8.246 1.00 0.00 C ATOM 0 H ILE A 78 -4.371 6.442 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.647 4.398 -7.621 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.173 5.236 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.655 5.018 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.876 6.511 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.040 3.362 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.352 2.770 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.591 2.860 -7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.601 6.404 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.514 6.402 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.290 4.885 -8.273 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.482 2.515 -5.805 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.814 1.534 -4.732 1.00 0.00 C ATOM 1222 C GLU A 79 -3.895 0.321 -4.848 1.00 0.00 C ATOM 1223 O GLU A 79 -3.437 -0.022 -5.920 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.269 1.088 -4.886 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.630 0.109 -3.764 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.096 -0.299 -3.894 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.497 -0.654 -4.991 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.794 -0.253 -2.895 1.00 0.00 O ATOM 0 H GLU A 79 -4.238 2.103 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.676 2.000 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.930 1.954 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.413 0.613 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.991 -0.772 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.455 0.572 -2.793 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.634 -0.338 -3.748 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.756 -1.543 -3.781 1.00 0.00 C ATOM 1237 C ALA A 80 -3.332 -2.600 -2.844 1.00 0.00 C ATOM 1238 O ALA A 80 -3.841 -2.287 -1.788 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.345 -1.166 -3.322 1.00 0.00 C ATOM 0 H ALA A 80 -3.993 -0.091 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.708 -1.935 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.706 -2.049 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.938 -0.404 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.385 -0.776 -2.305 1.00 0.00 H new ATOM 1245 N THR A 81 -3.265 -3.853 -3.230 1.00 0.00 N ATOM 1246 CA THR A 81 -3.816 -4.951 -2.373 1.00 0.00 C ATOM 1247 C THR A 81 -2.701 -5.923 -2.003 1.00 0.00 C ATOM 1248 O THR A 81 -1.966 -6.389 -2.851 1.00 0.00 O ATOM 1249 CB THR A 81 -4.906 -5.693 -3.146 1.00 0.00 C ATOM 1250 OG1 THR A 81 -5.966 -4.794 -3.438 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.430 -6.853 -2.300 1.00 0.00 C ATOM 0 H THR A 81 -2.849 -4.163 -4.108 1.00 0.00 H new ATOM 0 HA THR A 81 -4.237 -4.526 -1.462 1.00 0.00 H new ATOM 0 HB THR A 81 -4.496 -6.085 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.667 -5.265 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.207 -7.383 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.613 -7.538 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.844 -6.466 -1.369 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.568 -6.227 -0.734 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.499 -7.169 -0.281 1.00 0.00 C ATOM 1261 C VAL A 82 -2.136 -8.478 0.186 1.00 0.00 C ATOM 1262 O VAL A 82 -3.065 -8.488 0.968 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.729 -6.532 0.874 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.325 -7.514 1.387 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.042 -5.260 0.373 1.00 0.00 C ATOM 0 H VAL A 82 -3.159 -5.860 0.012 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.817 -7.376 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.415 -6.285 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.875 -7.060 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.164 -8.424 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.017 -7.759 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.510 -4.798 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.647 -5.512 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.793 -4.562 0.003 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.644 -9.582 -0.305 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.211 -10.903 0.083 1.00 0.00 C ATOM 1277 C ILE A 83 -1.629 -11.353 1.424 1.00 0.00 C ATOM 1278 O ILE A 83 -0.430 -11.396 1.614 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.883 -11.921 -1.026 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.843 -11.726 -2.212 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.022 -13.356 -0.496 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -2.929 -10.243 -2.596 1.00 0.00 C ATOM 0 H ILE A 83 -0.867 -9.625 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.292 -10.828 0.198 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.856 -11.758 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.499 -12.309 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.834 -12.098 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.787 -14.062 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.334 -13.505 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.044 -13.521 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.612 -10.124 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.296 -9.668 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.940 -9.882 -2.879 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.489 -11.699 2.348 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.037 -12.167 3.691 1.00 0.00 C ATOM 1296 C LEU A 84 -2.538 -13.597 3.898 1.00 0.00 C ATOM 1297 O LEU A 84 -2.972 -13.969 4.971 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.632 -11.248 4.761 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.232 -9.795 4.469 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.925 -8.869 5.471 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.708 -9.630 4.586 1.00 0.00 C ATOM 0 H LEU A 84 -3.501 -11.676 2.225 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.949 -12.144 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.718 -11.342 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.276 -11.543 5.748 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.538 -9.537 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.643 -7.836 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.006 -8.976 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.620 -9.135 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.437 -8.595 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.390 -9.891 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.215 -10.286 3.869 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.483 -14.402 2.871 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.958 -15.806 2.995 1.00 0.00 C ATOM 1315 C ASN A 85 -2.096 -16.548 4.017 1.00 0.00 C ATOM 1316 O ASN A 85 -2.586 -17.335 4.798 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.833 -16.509 1.638 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.881 -15.957 0.667 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.847 -15.347 1.079 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -3.729 -16.151 -0.616 1.00 0.00 N ATOM 0 H ASN A 85 -2.128 -14.145 1.950 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.999 -15.806 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.833 -16.359 1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.969 -17.583 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.422 -15.790 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.918 -16.663 -0.962 1.00 0.00 H new ATOM 1327 N SER A 86 -0.811 -16.317 4.007 1.00 0.00 N ATOM 1328 CA SER A 86 0.077 -17.031 4.968 1.00 0.00 C ATOM 1329 C SER A 86 -0.065 -16.418 6.371 1.00 0.00 C ATOM 1330 O SER A 86 -0.168 -15.218 6.534 1.00 0.00 O ATOM 1331 CB SER A 86 1.529 -16.935 4.478 1.00 0.00 C ATOM 1332 OG SER A 86 2.209 -18.142 4.800 1.00 0.00 O ATOM 0 H SER A 86 -0.339 -15.667 3.378 1.00 0.00 H new ATOM 0 HA SER A 86 -0.211 -18.081 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.552 -16.766 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.028 -16.086 4.945 1.00 0.00 H new ATOM 0 HG SER A 86 3.118 -17.935 5.101 1.00 0.00 H new ATOM 1338 N GLN A 87 -0.080 -17.247 7.378 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.228 -16.748 8.777 1.00 0.00 C ATOM 1340 C GLN A 87 1.006 -15.923 9.186 1.00 0.00 C ATOM 1341 O GLN A 87 0.879 -14.902 9.832 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.422 -17.948 9.741 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.951 -19.167 8.970 1.00 0.00 C ATOM 1344 CD GLN A 87 -2.146 -18.761 8.098 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -2.906 -17.767 8.471 1.00 0.00 O flip ATOM 1346 NE2 GLN A 87 -2.387 -19.354 7.065 1.00 0.00 N flip ATOM 0 H GLN A 87 0.005 -18.260 7.292 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.104 -16.102 8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.525 -18.195 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.120 -17.678 10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.160 -19.584 8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.250 -19.948 9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.794 -20.131 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.182 -19.075 6.490 1.00 0.00 H new ATOM 1355 N PRO A 88 2.191 -16.353 8.818 1.00 0.00 N ATOM 1356 CA PRO A 88 3.444 -15.621 9.171 1.00 0.00 C ATOM 1357 C PRO A 88 3.413 -14.193 8.616 1.00 0.00 C ATOM 1358 O PRO A 88 3.946 -13.269 9.198 1.00 0.00 O ATOM 1359 CB PRO A 88 4.566 -16.450 8.507 1.00 0.00 C ATOM 1360 CG PRO A 88 3.964 -17.800 8.265 1.00 0.00 C ATOM 1361 CD PRO A 88 2.473 -17.556 8.026 1.00 0.00 C ATOM 0 HA PRO A 88 3.583 -15.522 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.895 -15.992 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.441 -16.519 9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.424 -18.284 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.120 -18.457 9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.256 -17.401 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.870 -18.403 8.354 1.00 0.00 H new ATOM 1369 N GLU A 89 2.787 -14.025 7.485 1.00 0.00 N ATOM 1370 CA GLU A 89 2.697 -12.683 6.854 1.00 0.00 C ATOM 1371 C GLU A 89 1.830 -11.769 7.723 1.00 0.00 C ATOM 1372 O GLU A 89 2.105 -10.598 7.873 1.00 0.00 O ATOM 1373 CB GLU A 89 2.057 -12.835 5.476 1.00 0.00 C ATOM 1374 CG GLU A 89 2.224 -11.541 4.686 1.00 0.00 C ATOM 1375 CD GLU A 89 3.685 -11.388 4.263 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.445 -12.317 4.483 1.00 0.00 O ATOM 1377 OE2 GLU A 89 4.019 -10.346 3.725 1.00 0.00 O ATOM 0 H GLU A 89 2.328 -14.773 6.965 1.00 0.00 H new ATOM 0 HA GLU A 89 3.691 -12.247 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.520 -13.663 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.999 -13.075 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.579 -11.553 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.919 -10.689 5.294 1.00 0.00 H new ATOM 1384 N TRP A 90 0.784 -12.301 8.293 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.107 -11.474 9.155 1.00 0.00 C ATOM 1386 C TRP A 90 0.691 -10.933 10.344 1.00 0.00 C ATOM 1387 O TRP A 90 0.543 -9.791 10.733 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.265 -12.355 9.665 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.399 -12.329 8.691 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.700 -13.314 7.816 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.385 -11.282 8.489 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.813 -12.935 7.085 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.271 -11.687 7.465 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.591 -10.030 9.092 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.329 -10.874 7.054 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.653 -9.209 8.681 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.520 -9.631 7.663 1.00 0.00 C ATOM 0 H TRP A 90 0.507 -13.278 8.198 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.506 -10.637 8.582 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.919 -13.379 9.804 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.603 -11.998 10.638 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.161 -14.243 7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.242 -13.506 6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.928 -9.697 9.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.995 -11.204 6.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.803 -8.248 9.151 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.335 -8.996 7.350 1.00 0.00 H new ATOM 1408 N ASP A 91 1.524 -11.744 10.929 1.00 0.00 N ATOM 1409 CA ASP A 91 2.318 -11.273 12.093 1.00 0.00 C ATOM 1410 C ASP A 91 3.207 -10.107 11.662 1.00 0.00 C ATOM 1411 O ASP A 91 3.277 -9.088 12.318 1.00 0.00 O ATOM 1412 CB ASP A 91 3.204 -12.418 12.588 1.00 0.00 C ATOM 1413 CG ASP A 91 2.346 -13.477 13.285 1.00 0.00 C ATOM 1414 OD1 ASP A 91 1.200 -13.182 13.588 1.00 0.00 O ATOM 1415 OD2 ASP A 91 2.850 -14.565 13.503 1.00 0.00 O ATOM 0 H ASP A 91 1.689 -12.712 10.652 1.00 0.00 H new ATOM 0 HA ASP A 91 1.647 -10.949 12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.738 -12.865 11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.956 -12.035 13.278 1.00 0.00 H new ATOM 1420 N ARG A 92 3.887 -10.255 10.558 1.00 0.00 N ATOM 1421 CA ARG A 92 4.774 -9.166 10.069 1.00 0.00 C ATOM 1422 C ARG A 92 3.920 -7.992 9.580 1.00 0.00 C ATOM 1423 O ARG A 92 4.221 -6.843 9.833 1.00 0.00 O ATOM 1424 CB ARG A 92 5.634 -9.704 8.919 1.00 0.00 C ATOM 1425 CG ARG A 92 6.625 -8.629 8.466 1.00 0.00 C ATOM 1426 CD ARG A 92 7.489 -9.168 7.320 1.00 0.00 C ATOM 1427 NE ARG A 92 8.552 -8.171 6.997 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.227 -8.259 5.880 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.981 -9.226 5.039 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.148 -7.376 5.605 1.00 0.00 N ATOM 0 H ARG A 92 3.865 -11.089 9.972 1.00 0.00 H new ATOM 0 HA ARG A 92 5.420 -8.821 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.172 -10.595 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.998 -10.000 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.086 -7.739 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.258 -8.330 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.940 -10.119 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.872 -9.358 6.442 1.00 0.00 H new ATOM 0 HE ARG A 92 8.753 -7.416 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.261 -9.916 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.509 -9.292 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.341 -6.619 6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.675 -7.443 4.734 1.00 0.00 H new ATOM 1444 N PHE A 93 2.858 -8.278 8.879 1.00 0.00 N ATOM 1445 CA PHE A 93 1.976 -7.196 8.362 1.00 0.00 C ATOM 1446 C PHE A 93 1.386 -6.396 9.527 1.00 0.00 C ATOM 1447 O PHE A 93 1.358 -5.183 9.510 1.00 0.00 O ATOM 1448 CB PHE A 93 0.838 -7.820 7.551 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.009 -6.726 6.946 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.419 -6.072 5.786 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.220 -6.362 7.548 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.363 -5.054 5.226 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -2.002 -5.345 6.988 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.574 -4.690 5.827 1.00 0.00 C ATOM 0 H PHE A 93 2.561 -9.224 8.640 1.00 0.00 H new ATOM 0 HA PHE A 93 2.562 -6.528 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.244 -8.457 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.227 -8.455 8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.353 -6.352 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.550 -6.866 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.032 -4.550 4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.936 -5.065 7.452 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.177 -3.905 5.396 1.00 0.00 H new ATOM 1464 N MET A 94 0.901 -7.071 10.532 1.00 0.00 N ATOM 1465 CA MET A 94 0.299 -6.359 11.694 1.00 0.00 C ATOM 1466 C MET A 94 1.371 -5.537 12.419 1.00 0.00 C ATOM 1467 O MET A 94 1.136 -4.416 12.822 1.00 0.00 O ATOM 1468 CB MET A 94 -0.284 -7.397 12.658 1.00 0.00 C ATOM 1469 CG MET A 94 -1.584 -7.974 12.086 1.00 0.00 C ATOM 1470 SD MET A 94 -2.872 -6.695 12.034 1.00 0.00 S ATOM 1471 CE MET A 94 -3.333 -6.727 13.787 1.00 0.00 C ATOM 0 H MET A 94 0.896 -8.089 10.599 1.00 0.00 H new ATOM 0 HA MET A 94 -0.485 -5.687 11.344 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.437 -8.198 12.823 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.476 -6.937 13.627 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.407 -8.363 11.083 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.918 -8.812 12.698 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.402 -6.920 13.879 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.777 -7.515 14.295 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.097 -5.765 14.243 1.00 0.00 H new ATOM 1481 N ARG A 95 2.542 -6.086 12.590 1.00 0.00 N ATOM 1482 CA ARG A 95 3.626 -5.340 13.291 1.00 0.00 C ATOM 1483 C ARG A 95 4.016 -4.109 12.469 1.00 0.00 C ATOM 1484 O ARG A 95 4.237 -3.040 12.998 1.00 0.00 O ATOM 1485 CB ARG A 95 4.838 -6.255 13.466 1.00 0.00 C ATOM 1486 CG ARG A 95 5.919 -5.525 14.267 1.00 0.00 C ATOM 1487 CD ARG A 95 7.059 -6.494 14.593 1.00 0.00 C ATOM 1488 NE ARG A 95 7.729 -6.931 13.333 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.721 -6.241 12.832 1.00 0.00 C ATOM 1490 NH1 ARG A 95 9.140 -5.157 13.430 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.297 -6.638 11.730 1.00 0.00 N ATOM 0 H ARG A 95 2.796 -7.022 12.274 1.00 0.00 H new ATOM 0 HA ARG A 95 3.274 -5.017 14.271 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.545 -7.170 13.981 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.229 -6.549 12.492 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.300 -4.678 13.696 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.495 -5.123 15.187 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.782 -6.011 15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.670 -7.360 15.128 1.00 0.00 H new ATOM 0 HE ARG A 95 7.410 -7.776 12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.693 -4.845 14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.914 -4.623 13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.973 -7.484 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.071 -6.102 11.337 1.00 0.00 H new ATOM 1505 N PHE A 96 4.101 -4.259 11.175 1.00 0.00 N ATOM 1506 CA PHE A 96 4.476 -3.109 10.303 1.00 0.00 C ATOM 1507 C PHE A 96 3.447 -1.986 10.487 1.00 0.00 C ATOM 1508 O PHE A 96 3.787 -0.824 10.566 1.00 0.00 O ATOM 1509 CB PHE A 96 4.469 -3.574 8.835 1.00 0.00 C ATOM 1510 CG PHE A 96 5.807 -4.173 8.450 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.476 -5.042 9.321 1.00 0.00 C ATOM 1512 CD2 PHE A 96 6.375 -3.858 7.208 1.00 0.00 C ATOM 1513 CE1 PHE A 96 7.709 -5.591 8.951 1.00 0.00 C ATOM 1514 CE2 PHE A 96 7.607 -4.410 6.840 1.00 0.00 C ATOM 1515 CZ PHE A 96 8.273 -5.276 7.711 1.00 0.00 C ATOM 0 H PHE A 96 3.926 -5.134 10.681 1.00 0.00 H new ATOM 0 HA PHE A 96 5.468 -2.744 10.569 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.680 -4.311 8.687 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.243 -2.730 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.040 -5.288 10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.861 -3.188 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.226 -6.259 9.624 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.043 -4.167 5.882 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.224 -5.702 7.426 1.00 0.00 H new ATOM 1525 N MET A 97 2.192 -2.333 10.538 1.00 0.00 N ATOM 1526 CA MET A 97 1.131 -1.302 10.697 1.00 0.00 C ATOM 1527 C MET A 97 1.315 -0.561 12.024 1.00 0.00 C ATOM 1528 O MET A 97 1.127 0.637 12.106 1.00 0.00 O ATOM 1529 CB MET A 97 -0.235 -1.993 10.685 1.00 0.00 C ATOM 1530 CG MET A 97 -1.353 -0.950 10.779 1.00 0.00 C ATOM 1531 SD MET A 97 -1.624 -0.507 12.514 1.00 0.00 S ATOM 1532 CE MET A 97 -2.918 -1.723 12.861 1.00 0.00 C ATOM 0 H MET A 97 1.854 -3.293 10.476 1.00 0.00 H new ATOM 0 HA MET A 97 1.195 -0.584 9.879 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.348 -2.577 9.772 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.306 -2.690 11.520 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.086 -0.063 10.204 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.272 -1.346 10.346 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.240 -1.626 13.898 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.767 -1.549 12.200 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.528 -2.727 12.694 1.00 0.00 H new ATOM 1542 N GLU A 98 1.670 -1.263 13.063 1.00 0.00 N ATOM 1543 CA GLU A 98 1.857 -0.604 14.385 1.00 0.00 C ATOM 1544 C GLU A 98 2.947 0.468 14.288 1.00 0.00 C ATOM 1545 O GLU A 98 2.767 1.587 14.721 1.00 0.00 O ATOM 1546 CB GLU A 98 2.274 -1.664 15.404 1.00 0.00 C ATOM 1547 CG GLU A 98 1.116 -2.637 15.637 1.00 0.00 C ATOM 1548 CD GLU A 98 -0.027 -1.915 16.352 1.00 0.00 C ATOM 1549 OE1 GLU A 98 0.237 -0.896 16.966 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -1.146 -2.392 16.270 1.00 0.00 O ATOM 0 H GLU A 98 1.839 -2.269 13.053 1.00 0.00 H new ATOM 0 HA GLU A 98 0.925 -0.130 14.694 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.149 -2.205 15.044 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.557 -1.189 16.343 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.767 -3.037 14.685 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.454 -3.484 16.234 1.00 0.00 H new ATOM 1557 N ARG A 99 4.072 0.137 13.714 1.00 0.00 N ATOM 1558 CA ARG A 99 5.166 1.142 13.583 1.00 0.00 C ATOM 1559 C ARG A 99 4.714 2.258 12.638 1.00 0.00 C ATOM 1560 O ARG A 99 5.010 3.417 12.844 1.00 0.00 O ATOM 1561 CB ARG A 99 6.421 0.461 13.024 1.00 0.00 C ATOM 1562 CG ARG A 99 7.027 -0.455 14.094 1.00 0.00 C ATOM 1563 CD ARG A 99 8.243 -1.189 13.519 1.00 0.00 C ATOM 1564 NE ARG A 99 7.785 -2.220 12.545 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.657 -2.937 11.885 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.936 -2.747 12.063 1.00 0.00 N ATOM 1567 NH2 ARG A 99 8.244 -3.849 11.047 1.00 0.00 N ATOM 0 H ARG A 99 4.281 -0.785 13.330 1.00 0.00 H new ATOM 0 HA ARG A 99 5.396 1.567 14.560 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.168 -0.118 12.136 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.149 1.212 12.718 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.322 0.132 14.964 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.283 -1.175 14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.910 -0.481 13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.811 -1.659 14.322 1.00 0.00 H new ATOM 0 HE ARG A 99 6.787 -2.367 12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.260 -2.037 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.612 -3.309 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.245 -4.000 10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.921 -4.411 10.530 1.00 0.00 H new ATOM 1581 N TYR A 100 3.996 1.914 11.605 1.00 0.00 N ATOM 1582 CA TYR A 100 3.519 2.943 10.643 1.00 0.00 C ATOM 1583 C TYR A 100 2.625 3.948 11.374 1.00 0.00 C ATOM 1584 O TYR A 100 2.741 5.143 11.197 1.00 0.00 O ATOM 1585 CB TYR A 100 2.705 2.263 9.542 1.00 0.00 C ATOM 1586 CG TYR A 100 2.148 3.310 8.610 1.00 0.00 C ATOM 1587 CD1 TYR A 100 2.965 3.871 7.619 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.817 3.724 8.738 1.00 0.00 C ATOM 1589 CE1 TYR A 100 2.449 4.846 6.759 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.302 4.697 7.876 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.117 5.258 6.887 1.00 0.00 C ATOM 1592 OH TYR A 100 0.608 6.219 6.039 1.00 0.00 O ATOM 0 H TYR A 100 3.718 0.957 11.386 1.00 0.00 H new ATOM 0 HA TYR A 100 4.375 3.459 10.208 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.333 1.565 8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.894 1.682 9.981 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.992 3.551 7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.188 3.292 9.502 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.078 5.281 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.725 5.016 7.974 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.274 5.938 5.718 1.00 0.00 H new ATOM 1602 N GLY A 101 1.729 3.467 12.193 1.00 0.00 N ATOM 1603 CA GLY A 101 0.821 4.386 12.935 1.00 0.00 C ATOM 1604 C GLY A 101 1.640 5.269 13.879 1.00 0.00 C ATOM 1605 O GLY A 101 1.331 6.422 14.086 1.00 0.00 O ATOM 0 H GLY A 101 1.587 2.474 12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.263 5.006 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.090 3.810 13.503 1.00 0.00 H new ATOM 1609 N ALA A 102 2.682 4.732 14.451 1.00 0.00 N ATOM 1610 CA ALA A 102 3.522 5.534 15.383 1.00 0.00 C ATOM 1611 C ALA A 102 4.193 6.676 14.616 1.00 0.00 C ATOM 1612 O ALA A 102 4.320 7.777 15.109 1.00 0.00 O ATOM 1613 CB ALA A 102 4.598 4.632 15.986 1.00 0.00 C ATOM 0 H ALA A 102 2.988 3.769 14.312 1.00 0.00 H new ATOM 0 HA ALA A 102 2.897 5.948 16.174 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.218 5.212 16.670 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.125 3.814 16.530 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.220 4.225 15.189 1.00 0.00 H new ATOM 1619 N GLU A 103 4.624 6.418 13.413 1.00 0.00 N ATOM 1620 CA GLU A 103 5.292 7.479 12.611 1.00 0.00 C ATOM 1621 C GLU A 103 4.231 8.318 11.891 1.00 0.00 C ATOM 1622 O GLU A 103 4.528 9.347 11.322 1.00 0.00 O ATOM 1623 CB GLU A 103 6.212 6.824 11.575 1.00 0.00 C ATOM 1624 CG GLU A 103 7.339 6.068 12.283 1.00 0.00 C ATOM 1625 CD GLU A 103 8.237 7.055 13.033 1.00 0.00 C ATOM 1626 OE1 GLU A 103 8.194 8.230 12.705 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.950 6.621 13.921 1.00 0.00 O ATOM 0 H GLU A 103 4.542 5.513 12.949 1.00 0.00 H new ATOM 0 HA GLU A 103 5.878 8.121 13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.640 6.139 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.631 7.584 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.920 5.342 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.927 5.509 11.555 1.00 0.00 H new ATOM 1634 N ASN A 104 2.994 7.879 11.907 1.00 0.00 N ATOM 1635 CA ASN A 104 1.903 8.643 11.219 1.00 0.00 C ATOM 1636 C ASN A 104 0.661 8.677 12.114 1.00 0.00 C ATOM 1637 O ASN A 104 0.751 8.643 13.325 1.00 0.00 O ATOM 1638 CB ASN A 104 1.549 7.949 9.900 1.00 0.00 C ATOM 1639 CG ASN A 104 2.790 7.862 9.011 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.405 8.864 8.707 1.00 0.00 O ATOM 1641 ND2 ASN A 104 3.186 6.695 8.580 1.00 0.00 N ATOM 0 H ASN A 104 2.692 7.021 12.369 1.00 0.00 H new ATOM 0 HA ASN A 104 2.243 9.660 11.022 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.161 6.950 10.097 1.00 0.00 H new ATOM 0 HB3 ASN A 104 0.761 8.502 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.013 6.624 7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.668 5.854 8.836 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.501 8.744 11.520 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.758 8.778 12.316 1.00 0.00 C ATOM 1650 C GLY A 105 -2.899 8.231 11.460 1.00 0.00 C ATOM 1651 O GLY A 105 -3.936 8.849 11.331 1.00 0.00 O ATOM 0 H GLY A 105 -0.632 8.777 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.647 8.182 13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.978 9.798 12.630 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.708 7.072 10.873 1.00 0.00 N ATOM 1656 CA LEU A 106 -3.760 6.458 10.014 1.00 0.00 C ATOM 1657 C LEU A 106 -4.452 7.540 9.183 1.00 0.00 C ATOM 1658 O LEU A 106 -5.592 7.403 8.787 1.00 0.00 O ATOM 1659 CB LEU A 106 -4.778 5.733 10.898 1.00 0.00 C ATOM 1660 CG LEU A 106 -4.153 4.455 11.491 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -3.825 3.439 10.376 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -2.878 4.799 12.277 1.00 0.00 C ATOM 0 H LEU A 106 -1.854 6.521 10.957 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.302 5.739 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.108 6.392 11.701 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.661 5.477 10.313 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.878 4.005 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.385 2.545 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.740 3.171 9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.118 3.883 9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.448 3.887 12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.156 5.271 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.124 5.483 13.089 1.00 0.00 H new ATOM 1674 N GLY A 107 -3.762 8.615 8.918 1.00 0.00 N ATOM 1675 CA GLY A 107 -4.372 9.705 8.114 1.00 0.00 C ATOM 1676 C GLY A 107 -3.288 10.672 7.630 1.00 0.00 C ATOM 1677 O GLY A 107 -2.170 10.284 7.353 1.00 0.00 O ATOM 0 H GLY A 107 -2.804 8.783 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.902 9.284 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.108 10.242 8.713 1.00 0.00 H new ATOM 1681 N PHE A 108 -3.621 11.928 7.512 1.00 0.00 N ATOM 1682 CA PHE A 108 -2.634 12.936 7.027 1.00 0.00 C ATOM 1683 C PHE A 108 -1.604 13.253 8.118 1.00 0.00 C ATOM 1684 O PHE A 108 -1.924 13.309 9.287 1.00 0.00 O ATOM 1685 CB PHE A 108 -3.385 14.212 6.650 1.00 0.00 C ATOM 1686 CG PHE A 108 -4.426 13.886 5.604 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -4.050 13.745 4.263 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -5.767 13.720 5.976 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -5.013 13.443 3.294 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -6.730 13.416 5.006 1.00 0.00 C ATOM 1691 CZ PHE A 108 -6.354 13.278 3.666 1.00 0.00 C ATOM 0 H PHE A 108 -4.543 12.303 7.733 1.00 0.00 H new ATOM 0 HA PHE A 108 -2.106 12.535 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.860 14.642 7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.689 14.958 6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.016 13.869 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.058 13.827 7.011 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.723 13.337 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.763 13.288 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 108 -7.097 13.044 2.918 1.00 0.00 H new ATOM 1701 N SER A 109 -0.367 13.471 7.739 1.00 0.00 N ATOM 1702 CA SER A 109 0.680 13.790 8.751 1.00 0.00 C ATOM 1703 C SER A 109 1.882 14.460 8.075 1.00 0.00 C ATOM 1704 O SER A 109 1.735 15.326 7.237 1.00 0.00 O ATOM 1705 CB SER A 109 1.137 12.504 9.437 1.00 0.00 C ATOM 1706 OG SER A 109 2.098 11.854 8.620 1.00 0.00 O ATOM 0 H SER A 109 -0.041 13.441 6.773 1.00 0.00 H new ATOM 0 HA SER A 109 0.260 14.472 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.566 12.731 10.413 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.284 11.847 9.609 1.00 0.00 H new ATOM 0 HG SER A 109 2.273 10.956 8.972 1.00 0.00 H new ATOM 1712 N LYS A 110 3.073 14.069 8.447 1.00 0.00 N ATOM 1713 CA LYS A 110 4.294 14.684 7.848 1.00 0.00 C ATOM 1714 C LYS A 110 4.401 14.321 6.360 1.00 0.00 C ATOM 1715 O LYS A 110 5.123 13.422 5.982 1.00 0.00 O ATOM 1716 CB LYS A 110 5.525 14.168 8.602 1.00 0.00 C ATOM 1717 CG LYS A 110 5.487 14.695 10.040 1.00 0.00 C ATOM 1718 CD LYS A 110 6.707 14.192 10.815 1.00 0.00 C ATOM 1719 CE LYS A 110 6.690 14.775 12.231 1.00 0.00 C ATOM 1720 NZ LYS A 110 5.516 14.240 12.979 1.00 0.00 N ATOM 0 H LYS A 110 3.253 13.346 9.144 1.00 0.00 H new ATOM 0 HA LYS A 110 4.234 15.769 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.538 13.078 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.437 14.498 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.472 15.785 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.572 14.366 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.699 13.103 10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.623 14.484 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.613 14.519 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.640 15.863 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.654 14.395 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.653 14.731 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.421 13.221 12.793 1.00 0.00 H new ATOM 1734 N SER A 111 3.692 15.027 5.515 1.00 0.00 N ATOM 1735 CA SER A 111 3.753 14.741 4.051 1.00 0.00 C ATOM 1736 C SER A 111 3.254 15.959 3.271 1.00 0.00 C ATOM 1737 O SER A 111 4.025 16.694 2.687 1.00 0.00 O ATOM 1738 CB SER A 111 2.868 13.537 3.725 1.00 0.00 C ATOM 1739 OG SER A 111 1.633 13.665 4.417 1.00 0.00 O ATOM 0 H SER A 111 3.071 15.792 5.779 1.00 0.00 H new ATOM 0 HA SER A 111 4.783 14.523 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.693 13.479 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.368 12.613 4.016 1.00 0.00 H new ATOM 0 HG SER A 111 0.896 13.676 3.771 1.00 0.00 H new ATOM 1745 N GLU A 112 1.967 16.176 3.255 1.00 0.00 N ATOM 1746 CA GLU A 112 1.411 17.340 2.508 1.00 0.00 C ATOM 1747 C GLU A 112 1.447 18.584 3.396 1.00 0.00 C ATOM 1748 O GLU A 112 1.339 19.695 2.920 1.00 0.00 O ATOM 1749 CB GLU A 112 -0.037 17.032 2.112 1.00 0.00 C ATOM 1750 CG GLU A 112 -0.047 15.923 1.057 1.00 0.00 C ATOM 1751 CD GLU A 112 -1.490 15.554 0.707 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -2.390 16.139 1.288 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -1.673 14.688 -0.135 1.00 0.00 O ATOM 0 H GLU A 112 1.275 15.596 3.729 1.00 0.00 H new ATOM 0 HA GLU A 112 2.007 17.523 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.608 16.722 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.517 17.928 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.480 16.255 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.481 15.047 1.432 1.00 0.00 H new ATOM 1760 N LEU A 113 1.605 18.407 4.682 1.00 0.00 N ATOM 1761 CA LEU A 113 1.658 19.580 5.605 1.00 0.00 C ATOM 1762 C LEU A 113 3.116 19.890 5.945 1.00 0.00 C ATOM 1763 O LEU A 113 3.624 20.945 5.630 1.00 0.00 O ATOM 1764 CB LEU A 113 0.907 19.249 6.901 1.00 0.00 C ATOM 1765 CG LEU A 113 -0.561 18.856 6.588 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -0.688 17.329 6.473 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -1.485 19.351 7.710 1.00 0.00 C ATOM 0 H LEU A 113 1.700 17.498 5.134 1.00 0.00 H new ATOM 0 HA LEU A 113 1.196 20.440 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.407 18.431 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.925 20.109 7.570 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.849 19.317 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.723 17.065 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.044 16.970 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.388 16.867 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.514 19.072 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.185 18.898 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.413 20.436 7.789 1.00 0.00 H new ATOM 1779 N GLU A 114 3.785 18.969 6.592 1.00 0.00 N ATOM 1780 CA GLU A 114 5.213 19.183 6.976 1.00 0.00 C ATOM 1781 C GLU A 114 5.411 20.614 7.479 1.00 0.00 C ATOM 1782 O GLU A 114 6.130 21.399 6.897 1.00 0.00 O ATOM 1783 CB GLU A 114 6.119 18.907 5.775 1.00 0.00 C ATOM 1784 CG GLU A 114 6.093 17.408 5.466 1.00 0.00 C ATOM 1785 CD GLU A 114 6.930 17.119 4.218 1.00 0.00 C ATOM 1786 OE1 GLU A 114 7.516 18.050 3.692 1.00 0.00 O ATOM 1787 OE2 GLU A 114 6.971 15.969 3.812 1.00 0.00 O ATOM 0 H GLU A 114 3.398 18.068 6.873 1.00 0.00 H new ATOM 0 HA GLU A 114 5.476 18.494 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.780 19.476 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.138 19.230 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.483 16.846 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.066 17.078 5.310 1.00 0.00 H new ATOM 1794 N HIS A 115 4.772 20.952 8.567 1.00 0.00 N ATOM 1795 CA HIS A 115 4.911 22.320 9.133 1.00 0.00 C ATOM 1796 C HIS A 115 6.337 22.508 9.650 1.00 0.00 C ATOM 1797 O HIS A 115 6.930 23.556 9.504 1.00 0.00 O ATOM 1798 CB HIS A 115 3.924 22.485 10.291 1.00 0.00 C ATOM 1799 CG HIS A 115 2.518 22.476 9.756 1.00 0.00 C ATOM 1800 ND1 HIS A 115 1.925 23.607 9.216 1.00 0.00 N ATOM 1801 CD2 HIS A 115 1.577 21.480 9.667 1.00 0.00 C ATOM 1802 CE1 HIS A 115 0.682 23.267 8.831 1.00 0.00 C ATOM 1803 NE2 HIS A 115 0.418 21.983 9.083 1.00 0.00 N ATOM 0 H HIS A 115 4.155 20.331 9.091 1.00 0.00 H new ATOM 0 HA HIS A 115 4.701 23.063 8.363 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.055 21.679 11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.118 23.419 10.818 1.00 0.00 H new ATOM 0 HD1 HIS A 115 2.353 24.528 9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.715 20.462 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.018 23.950 8.373 1.00 0.00 H new ATOM 1811 N HIS A 116 6.883 21.490 10.258 1.00 0.00 N ATOM 1812 CA HIS A 116 8.269 21.578 10.799 1.00 0.00 C ATOM 1813 C HIS A 116 8.387 22.761 11.759 1.00 0.00 C ATOM 1814 O HIS A 116 8.685 23.871 11.368 1.00 0.00 O ATOM 1815 CB HIS A 116 9.269 21.724 9.649 1.00 0.00 C ATOM 1816 CG HIS A 116 9.300 20.442 8.866 1.00 0.00 C ATOM 1817 ND1 HIS A 116 9.650 19.233 9.450 1.00 0.00 N ATOM 1818 CD2 HIS A 116 9.023 20.155 7.553 1.00 0.00 C ATOM 1819 CE1 HIS A 116 9.573 18.286 8.499 1.00 0.00 C ATOM 1820 NE2 HIS A 116 9.196 18.794 7.323 1.00 0.00 N ATOM 0 H HIS A 116 6.423 20.592 10.404 1.00 0.00 H new ATOM 0 HA HIS A 116 8.494 20.663 11.347 1.00 0.00 H new ATOM 0 HB2 HIS A 116 8.982 22.554 9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 116 10.261 21.952 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.717 20.877 6.810 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.790 17.241 8.666 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.063 18.292 6.445 1.00 0.00 H new ATOM 1828 N HIS A 117 8.153 22.522 13.022 1.00 0.00 N ATOM 1829 CA HIS A 117 8.250 23.608 14.033 1.00 0.00 C ATOM 1830 C HIS A 117 9.709 24.061 14.159 1.00 0.00 C ATOM 1831 O HIS A 117 9.999 25.236 14.250 1.00 0.00 O ATOM 1832 CB HIS A 117 7.765 23.077 15.384 1.00 0.00 C ATOM 1833 CG HIS A 117 6.272 22.894 15.349 1.00 0.00 C ATOM 1834 ND1 HIS A 117 5.672 21.804 14.738 1.00 0.00 N ATOM 1835 CD2 HIS A 117 5.244 23.651 15.857 1.00 0.00 C ATOM 1836 CE1 HIS A 117 4.340 21.934 14.892 1.00 0.00 C ATOM 1837 NE2 HIS A 117 4.026 23.043 15.566 1.00 0.00 N ATOM 0 H HIS A 117 7.896 21.609 13.398 1.00 0.00 H new ATOM 0 HA HIS A 117 7.634 24.453 13.725 1.00 0.00 H new ATOM 0 HB2 HIS A 117 8.252 22.128 15.609 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.038 23.772 16.178 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.363 24.577 16.400 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.615 21.227 14.516 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.094 23.374 15.814 1.00 0.00 H new ATOM 1845 N HIS A 118 10.628 23.132 14.167 1.00 0.00 N ATOM 1846 CA HIS A 118 12.071 23.498 14.287 1.00 0.00 C ATOM 1847 C HIS A 118 12.512 24.257 13.033 1.00 0.00 C ATOM 1848 O HIS A 118 13.229 25.233 13.108 1.00 0.00 O ATOM 1849 CB HIS A 118 12.904 22.222 14.432 1.00 0.00 C ATOM 1850 CG HIS A 118 14.351 22.585 14.613 1.00 0.00 C ATOM 1851 ND1 HIS A 118 14.802 23.296 15.714 1.00 0.00 N ATOM 1852 CD2 HIS A 118 15.462 22.335 13.848 1.00 0.00 C ATOM 1853 CE1 HIS A 118 16.133 23.448 15.582 1.00 0.00 C ATOM 1854 NE2 HIS A 118 16.587 22.881 14.460 1.00 0.00 N ATOM 0 H HIS A 118 10.441 22.132 14.095 1.00 0.00 H new ATOM 0 HA HIS A 118 12.217 24.132 15.162 1.00 0.00 H new ATOM 0 HB2 HIS A 118 12.554 21.642 15.286 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.783 21.594 13.549 1.00 0.00 H new ATOM 0 HD2 HIS A 118 15.464 21.796 12.912 1.00 0.00 H new ATOM 0 HE1 HIS A 118 16.758 23.965 16.295 1.00 0.00 H new ATOM 0 HE2 HIS A 118 17.550 22.854 14.125 1.00 0.00 H new ATOM 1862 N HIS A 119 12.086 23.801 11.884 1.00 0.00 N ATOM 1863 CA HIS A 119 12.459 24.468 10.600 1.00 0.00 C ATOM 1864 C HIS A 119 13.937 24.873 10.609 1.00 0.00 C ATOM 1865 O HIS A 119 14.707 24.449 11.447 1.00 0.00 O ATOM 1866 CB HIS A 119 11.589 25.710 10.387 1.00 0.00 C ATOM 1867 CG HIS A 119 11.835 26.705 11.489 1.00 0.00 C ATOM 1868 ND1 HIS A 119 11.074 26.727 12.648 1.00 0.00 N ATOM 1869 CD2 HIS A 119 12.751 27.719 11.623 1.00 0.00 C ATOM 1870 CE1 HIS A 119 11.542 27.726 13.421 1.00 0.00 C ATOM 1871 NE2 HIS A 119 12.563 28.363 12.843 1.00 0.00 N ATOM 0 H HIS A 119 11.486 22.982 11.779 1.00 0.00 H new ATOM 0 HA HIS A 119 12.295 23.763 9.786 1.00 0.00 H new ATOM 0 HB2 HIS A 119 11.815 26.161 9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 119 10.536 25.428 10.369 1.00 0.00 H new ATOM 0 HD1 HIS A 119 10.301 26.101 12.874 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.503 27.978 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 119 11.140 27.981 14.391 1.00 0.00 H new ATOM 1879 N HIS A 120 14.335 25.686 9.667 1.00 0.00 N ATOM 1880 CA HIS A 120 15.757 26.123 9.595 1.00 0.00 C ATOM 1881 C HIS A 120 16.197 26.688 10.949 1.00 0.00 C ATOM 1882 O HIS A 120 15.348 26.839 11.811 1.00 0.00 O ATOM 1883 CB HIS A 120 15.895 27.206 8.521 1.00 0.00 C ATOM 1884 CG HIS A 120 15.728 26.586 7.160 1.00 0.00 C ATOM 1885 ND1 HIS A 120 14.483 26.267 6.639 1.00 0.00 N ATOM 1886 CD2 HIS A 120 16.639 26.228 6.197 1.00 0.00 C ATOM 1887 CE1 HIS A 120 14.678 25.742 5.415 1.00 0.00 C ATOM 1888 NE2 HIS A 120 15.974 25.695 5.097 1.00 0.00 N ATOM 1889 OXT HIS A 120 17.377 26.960 11.100 1.00 0.00 O ATOM 0 H HIS A 120 13.730 26.068 8.940 1.00 0.00 H new ATOM 0 HA HIS A 120 16.387 25.270 9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 120 15.145 27.982 8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 120 16.871 27.686 8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.710 26.343 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 120 13.883 25.400 4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 120 16.388 25.344 4.233 1.00 0.00 H new TER 1897 HIS A 120