USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 558 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 Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -28:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00606 K(o=-0.0061,f=-3.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0329) USER MOD Single : A 76 THR OG1 : rot -69:sc= 1.12 USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.777) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0363) USER MOD Single : A 89 SER OG : rot 75:sc= 1.03 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000221) USER MOD Single : A 99 SER OG : rot -76:sc= -1.06 USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.0572 (180deg=-0.0679) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= -0.0367 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 -2.905 -30.332 -2.005 1.00 0.00 N ATOM 2 CA ALA A 47 -2.320 -30.039 -3.303 1.00 0.00 C ATOM 3 C ALA A 47 -1.662 -28.659 -3.260 1.00 0.00 C ATOM 4 O ALA A 47 -2.039 -27.812 -2.452 1.00 0.00 O ATOM 5 CB ALA A 47 -3.400 -30.138 -4.383 1.00 0.00 C ATOM 0 HA ALA A 47 -1.546 -30.766 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.962 -29.918 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.815 -31.146 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.193 -29.420 -4.172 1.00 0.00 H new ATOM 11 N ALA A 48 -0.691 -28.475 -4.143 1.00 0.00 N ATOM 12 CA ALA A 48 0.022 -27.211 -4.217 1.00 0.00 C ATOM 13 C ALA A 48 -0.788 -26.221 -5.059 1.00 0.00 C ATOM 14 O ALA A 48 -0.729 -26.253 -6.287 1.00 0.00 O ATOM 15 CB ALA A 48 1.423 -27.448 -4.784 1.00 0.00 C ATOM 0 H ALA A 48 -0.382 -29.180 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 48 0.141 -26.779 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.958 -26.500 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.967 -28.134 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.343 -27.879 -5.782 1.00 0.00 H new ATOM 21 N GLU A 49 -1.523 -25.366 -4.364 1.00 0.00 N ATOM 22 CA GLU A 49 -2.342 -24.369 -5.032 1.00 0.00 C ATOM 23 C GLU A 49 -1.463 -23.257 -5.605 1.00 0.00 C ATOM 24 O GLU A 49 -0.286 -23.153 -5.263 1.00 0.00 O ATOM 25 CB GLU A 49 -3.397 -23.800 -4.081 1.00 0.00 C ATOM 26 CG GLU A 49 -4.379 -24.886 -3.638 1.00 0.00 C ATOM 27 CD GLU A 49 -5.545 -24.284 -2.852 1.00 0.00 C ATOM 28 OE1 GLU A 49 -6.280 -23.474 -3.458 1.00 0.00 O ATOM 29 OE2 GLU A 49 -5.677 -24.646 -1.664 1.00 0.00 O ATOM 0 H GLU A 49 -1.569 -25.343 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.866 -24.851 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.909 -23.368 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.939 -22.994 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.760 -25.415 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.861 -25.620 -3.021 1.00 0.00 H new ATOM 36 N GLU A 50 -2.068 -22.452 -6.467 1.00 0.00 N ATOM 37 CA GLU A 50 -1.353 -21.352 -7.092 1.00 0.00 C ATOM 38 C GLU A 50 -1.378 -20.120 -6.186 1.00 0.00 C ATOM 39 O GLU A 50 -2.438 -19.544 -5.944 1.00 0.00 O ATOM 40 CB GLU A 50 -1.937 -21.032 -8.470 1.00 0.00 C ATOM 41 CG GLU A 50 -1.197 -21.797 -9.570 1.00 0.00 C ATOM 42 CD GLU A 50 -1.853 -21.569 -10.932 1.00 0.00 C ATOM 43 OE1 GLU A 50 -1.465 -20.578 -11.591 1.00 0.00 O ATOM 44 OE2 GLU A 50 -2.728 -22.388 -11.286 1.00 0.00 O ATOM 0 H GLU A 50 -3.045 -22.540 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.315 -21.653 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.995 -21.292 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.869 -19.961 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.156 -21.475 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.193 -22.862 -9.338 1.00 0.00 H new ATOM 51 N LYS A 51 -0.199 -19.750 -5.709 1.00 0.00 N ATOM 52 CA LYS A 51 -0.074 -18.603 -4.826 1.00 0.00 C ATOM 53 C LYS A 51 0.320 -17.374 -5.649 1.00 0.00 C ATOM 54 O LYS A 51 1.469 -16.936 -5.605 1.00 0.00 O ATOM 55 CB LYS A 51 0.890 -18.910 -3.679 1.00 0.00 C ATOM 56 CG LYS A 51 2.292 -19.214 -4.209 1.00 0.00 C ATOM 57 CD LYS A 51 2.745 -20.615 -3.794 1.00 0.00 C ATOM 58 CE LYS A 51 4.145 -20.921 -4.331 1.00 0.00 C ATOM 59 NZ LYS A 51 5.177 -20.297 -3.473 1.00 0.00 N ATOM 0 H LYS A 51 0.679 -20.225 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.031 -18.379 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.931 -18.061 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.521 -19.761 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.299 -19.133 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.996 -18.473 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.743 -20.694 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.038 -21.355 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.299 -21.999 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.239 -20.550 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.121 -20.514 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.039 -19.266 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.097 -20.671 -2.506 1.00 0.00 H new ATOM 73 N THR A 52 -0.655 -16.851 -6.378 1.00 0.00 N ATOM 74 CA THR A 52 -0.429 -15.671 -7.194 1.00 0.00 C ATOM 75 C THR A 52 -1.402 -14.557 -6.800 1.00 0.00 C ATOM 76 O THR A 52 -1.757 -13.717 -7.626 1.00 0.00 O ATOM 77 CB THR A 52 -0.539 -16.081 -8.663 1.00 0.00 C ATOM 78 OG1 THR A 52 -1.939 -16.243 -8.874 1.00 0.00 O ATOM 79 CG2 THR A 52 0.040 -17.474 -8.925 1.00 0.00 C ATOM 0 H THR A 52 -1.604 -17.223 -6.420 1.00 0.00 H new ATOM 0 HA THR A 52 0.569 -15.263 -7.031 1.00 0.00 H new ATOM 0 HB THR A 52 -0.023 -15.349 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.370 -16.498 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.063 -17.718 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.095 -17.487 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.499 -18.210 -8.329 1.00 0.00 H new ATOM 87 N GLU A 53 -1.806 -14.585 -5.538 1.00 0.00 N ATOM 88 CA GLU A 53 -2.747 -13.602 -5.031 1.00 0.00 C ATOM 89 C GLU A 53 -2.265 -13.049 -3.688 1.00 0.00 C ATOM 90 O GLU A 53 -2.528 -13.639 -2.641 1.00 0.00 O ATOM 91 CB GLU A 53 -4.150 -14.200 -4.907 1.00 0.00 C ATOM 92 CG GLU A 53 -4.707 -14.580 -6.281 1.00 0.00 C ATOM 93 CD GLU A 53 -4.616 -16.091 -6.510 1.00 0.00 C ATOM 94 OE1 GLU A 53 -3.472 -16.576 -6.641 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.691 -16.724 -6.551 1.00 0.00 O ATOM 0 H GLU A 53 -1.498 -15.274 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.801 -12.778 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.118 -15.082 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.814 -13.481 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.746 -14.259 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.153 -14.056 -7.060 1.00 0.00 H new ATOM 102 N PHE A 54 -1.570 -11.924 -3.763 1.00 0.00 N ATOM 103 CA PHE A 54 -1.056 -11.282 -2.565 1.00 0.00 C ATOM 104 C PHE A 54 -1.745 -9.938 -2.325 1.00 0.00 C ATOM 105 O PHE A 54 -2.073 -9.226 -3.273 1.00 0.00 O ATOM 106 CB PHE A 54 0.439 -11.044 -2.792 1.00 0.00 C ATOM 107 CG PHE A 54 1.247 -12.325 -3.008 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.358 -12.857 -4.254 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.855 -12.931 -1.953 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.110 -14.045 -4.455 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.606 -14.119 -2.153 1.00 0.00 C ATOM 112 CZ PHE A 54 2.717 -14.652 -3.401 1.00 0.00 C ATOM 0 H PHE A 54 -1.351 -11.441 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.240 -11.913 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.566 -10.396 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.846 -10.510 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.874 -12.376 -5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.766 -12.508 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.200 -14.466 -5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.089 -14.600 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.287 -15.557 -3.553 1.00 0.00 H new ATOM 122 N ASP A 55 -1.942 -9.629 -1.052 1.00 0.00 N ATOM 123 CA ASP A 55 -2.587 -8.383 -0.675 1.00 0.00 C ATOM 124 C ASP A 55 -1.562 -7.461 -0.013 1.00 0.00 C ATOM 125 O ASP A 55 -0.675 -7.925 0.702 1.00 0.00 O ATOM 126 CB ASP A 55 -3.718 -8.628 0.326 1.00 0.00 C ATOM 127 CG ASP A 55 -4.608 -9.832 0.013 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.747 -10.138 -1.190 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.130 -10.420 0.985 1.00 0.00 O ATOM 0 H ASP A 55 -1.666 -10.220 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.996 -7.930 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.283 -8.764 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.342 -7.736 0.372 1.00 0.00 H new ATOM 134 N VAL A 56 -1.716 -6.172 -0.275 1.00 0.00 N ATOM 135 CA VAL A 56 -0.808 -5.182 0.280 1.00 0.00 C ATOM 136 C VAL A 56 -1.597 -4.205 1.155 1.00 0.00 C ATOM 137 O VAL A 56 -2.438 -3.459 0.655 1.00 0.00 O ATOM 138 CB VAL A 56 -0.039 -4.487 -0.846 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.967 -3.482 -0.284 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.652 -5.510 -1.750 1.00 0.00 C ATOM 0 H VAL A 56 -2.456 -5.790 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.064 -5.662 0.917 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.758 -3.936 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.500 -3.002 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.440 -2.726 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.680 -4.001 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.191 -4.990 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.353 -6.101 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.096 -6.169 -2.192 1.00 0.00 H new ATOM 150 N ILE A 57 -1.300 -4.243 2.445 1.00 0.00 N ATOM 151 CA ILE A 57 -1.975 -3.374 3.394 1.00 0.00 C ATOM 152 C ILE A 57 -1.011 -2.275 3.846 1.00 0.00 C ATOM 153 O ILE A 57 0.193 -2.504 3.951 1.00 0.00 O ATOM 154 CB ILE A 57 -2.559 -4.192 4.548 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.905 -4.805 4.158 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.660 -3.350 5.821 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.709 -6.092 3.354 1.00 0.00 C ATOM 0 H ILE A 57 -0.601 -4.862 2.856 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.824 -2.880 2.922 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.879 -5.017 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.486 -5.018 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.478 -4.088 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.078 -3.955 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.667 -3.002 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.307 -2.492 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.681 -6.507 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.149 -5.872 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.157 -6.815 3.954 1.00 0.00 H new ATOM 169 N LEU A 58 -1.577 -1.104 4.104 1.00 0.00 N ATOM 170 CA LEU A 58 -0.798 0.005 4.624 1.00 0.00 C ATOM 171 C LEU A 58 -1.018 0.113 6.134 1.00 0.00 C ATOM 172 O LEU A 58 -2.124 0.405 6.585 1.00 0.00 O ATOM 173 CB LEU A 58 -1.123 1.291 3.862 1.00 0.00 C ATOM 174 CG LEU A 58 -0.660 2.595 4.518 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.215 3.408 3.562 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.853 3.404 5.031 1.00 0.00 C ATOM 0 H LEU A 58 -2.566 -0.901 3.962 1.00 0.00 H new ATOM 0 HA LEU A 58 0.266 -0.171 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.673 1.226 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.202 1.342 3.719 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.046 2.344 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.531 4.329 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.093 2.824 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.355 3.651 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.497 4.325 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.513 3.647 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.400 2.817 5.769 1.00 0.00 H new ATOM 188 N LYS A 59 0.054 -0.128 6.876 1.00 0.00 N ATOM 189 CA LYS A 59 -0.024 -0.135 8.325 1.00 0.00 C ATOM 190 C LYS A 59 0.295 1.264 8.856 1.00 0.00 C ATOM 191 O LYS A 59 -0.514 1.865 9.561 1.00 0.00 O ATOM 192 CB LYS A 59 0.870 -1.232 8.905 1.00 0.00 C ATOM 193 CG LYS A 59 0.174 -2.593 8.852 1.00 0.00 C ATOM 194 CD LYS A 59 -0.597 -2.867 10.145 1.00 0.00 C ATOM 195 CE LYS A 59 -1.325 -4.210 10.075 1.00 0.00 C ATOM 196 NZ LYS A 59 -2.018 -4.491 11.353 1.00 0.00 N ATOM 0 H LYS A 59 0.982 -0.320 6.499 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.036 -0.376 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.805 -1.276 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.125 -0.990 9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.510 -2.623 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.914 -3.378 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.091 -2.866 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.317 -2.068 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.047 -4.197 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.612 -5.006 9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.507 -5.406 11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.322 -4.524 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.712 -3.740 11.544 1.00 0.00 H new ATOM 210 N ALA A 60 1.478 1.743 8.497 1.00 0.00 N ATOM 211 CA ALA A 60 1.933 3.042 8.964 1.00 0.00 C ATOM 212 C ALA A 60 2.570 3.802 7.799 1.00 0.00 C ATOM 213 O ALA A 60 3.448 3.277 7.115 1.00 0.00 O ATOM 214 CB ALA A 60 2.897 2.853 10.135 1.00 0.00 C ATOM 0 H ALA A 60 2.135 1.255 7.888 1.00 0.00 H new ATOM 0 HA ALA A 60 1.094 3.637 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.239 3.827 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.387 2.334 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.754 2.264 9.809 1.00 0.00 H new ATOM 220 N ALA A 61 2.104 5.027 7.608 1.00 0.00 N ATOM 221 CA ALA A 61 2.645 5.880 6.563 1.00 0.00 C ATOM 222 C ALA A 61 4.095 6.233 6.899 1.00 0.00 C ATOM 223 O ALA A 61 4.901 6.476 6.002 1.00 0.00 O ATOM 224 CB ALA A 61 1.762 7.121 6.409 1.00 0.00 C ATOM 0 H ALA A 61 1.357 5.450 8.159 1.00 0.00 H new ATOM 0 HA ALA A 61 2.646 5.360 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.167 7.761 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.750 6.817 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.739 7.670 7.350 1.00 0.00 H new ATOM 230 N GLY A 62 4.382 6.250 8.191 1.00 0.00 N ATOM 231 CA GLY A 62 5.716 6.592 8.658 1.00 0.00 C ATOM 232 C GLY A 62 5.919 8.107 8.673 1.00 0.00 C ATOM 233 O GLY A 62 4.952 8.868 8.629 1.00 0.00 O ATOM 0 H GLY A 62 3.714 6.033 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.868 6.191 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.461 6.128 8.012 1.00 0.00 H new ATOM 237 N ALA A 63 7.182 8.503 8.735 1.00 0.00 N ATOM 238 CA ALA A 63 7.523 9.914 8.804 1.00 0.00 C ATOM 239 C ALA A 63 7.671 10.469 7.387 1.00 0.00 C ATOM 240 O ALA A 63 8.549 11.291 7.126 1.00 0.00 O ATOM 241 CB ALA A 63 8.796 10.091 9.636 1.00 0.00 C ATOM 0 H ALA A 63 7.982 7.871 8.739 1.00 0.00 H new ATOM 0 HA ALA A 63 6.730 10.477 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.052 11.149 9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.629 9.708 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.614 9.542 9.170 1.00 0.00 H new ATOM 247 N ASN A 64 6.798 9.999 6.507 1.00 0.00 N ATOM 248 CA ASN A 64 6.822 10.437 5.123 1.00 0.00 C ATOM 249 C ASN A 64 5.427 10.278 4.517 1.00 0.00 C ATOM 250 O ASN A 64 5.251 9.570 3.528 1.00 0.00 O ATOM 251 CB ASN A 64 7.795 9.594 4.295 1.00 0.00 C ATOM 252 CG ASN A 64 8.324 10.385 3.097 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.707 11.323 2.618 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.497 9.957 2.642 1.00 0.00 N ATOM 0 H ASN A 64 6.070 9.319 6.727 1.00 0.00 H new ATOM 0 HA ASN A 64 7.141 11.479 5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.628 9.274 4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.294 8.691 3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.935 10.420 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.960 9.166 3.090 1.00 0.00 H new ATOM 261 N LYS A 65 4.468 10.951 5.138 1.00 0.00 N ATOM 262 CA LYS A 65 3.088 10.873 4.689 1.00 0.00 C ATOM 263 C LYS A 65 2.983 11.454 3.277 1.00 0.00 C ATOM 264 O LYS A 65 2.117 11.051 2.500 1.00 0.00 O ATOM 265 CB LYS A 65 2.156 11.543 5.701 1.00 0.00 C ATOM 266 CG LYS A 65 0.847 10.762 5.841 1.00 0.00 C ATOM 267 CD LYS A 65 -0.138 11.506 6.745 1.00 0.00 C ATOM 268 CE LYS A 65 0.327 11.479 8.204 1.00 0.00 C ATOM 269 NZ LYS A 65 0.798 12.818 8.620 1.00 0.00 N ATOM 0 H LYS A 65 4.620 11.552 5.948 1.00 0.00 H new ATOM 0 HA LYS A 65 2.764 9.834 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.651 11.607 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.943 12.564 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.402 10.611 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.051 9.774 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.236 12.539 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.125 11.050 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.492 11.159 8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.129 10.751 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.110 12.784 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.593 13.109 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.022 13.504 8.525 1.00 0.00 H new ATOM 283 N VAL A 66 3.874 12.389 2.988 1.00 0.00 N ATOM 284 CA VAL A 66 3.854 13.070 1.705 1.00 0.00 C ATOM 285 C VAL A 66 4.130 12.059 0.591 1.00 0.00 C ATOM 286 O VAL A 66 3.418 12.028 -0.413 1.00 0.00 O ATOM 287 CB VAL A 66 4.849 14.234 1.715 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.910 14.915 0.347 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.504 15.241 2.816 1.00 0.00 C ATOM 0 H VAL A 66 4.615 12.692 3.620 1.00 0.00 H new ATOM 0 HA VAL A 66 2.871 13.501 1.517 1.00 0.00 H new ATOM 0 HB VAL A 66 5.837 13.828 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.624 15.738 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.226 14.192 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.924 15.301 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.226 16.058 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.503 15.638 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.537 14.745 3.786 1.00 0.00 H new ATOM 299 N ALA A 67 5.163 11.259 0.804 1.00 0.00 N ATOM 300 CA ALA A 67 5.560 10.270 -0.185 1.00 0.00 C ATOM 301 C ALA A 67 4.499 9.170 -0.255 1.00 0.00 C ATOM 302 O ALA A 67 4.203 8.656 -1.333 1.00 0.00 O ATOM 303 CB ALA A 67 6.945 9.724 0.168 1.00 0.00 C ATOM 0 H ALA A 67 5.738 11.275 1.646 1.00 0.00 H new ATOM 0 HA ALA A 67 5.630 10.722 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.243 8.982 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.667 10.541 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.913 9.259 1.154 1.00 0.00 H new ATOM 309 N VAL A 68 3.955 8.840 0.908 1.00 0.00 N ATOM 310 CA VAL A 68 2.944 7.801 0.993 1.00 0.00 C ATOM 311 C VAL A 68 1.745 8.187 0.124 1.00 0.00 C ATOM 312 O VAL A 68 1.382 7.459 -0.797 1.00 0.00 O ATOM 313 CB VAL A 68 2.568 7.556 2.455 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.325 6.670 2.561 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.741 6.950 3.229 1.00 0.00 C ATOM 0 H VAL A 68 4.196 9.274 1.799 1.00 0.00 H new ATOM 0 HA VAL A 68 3.333 6.858 0.608 1.00 0.00 H new ATOM 0 HB VAL A 68 2.331 8.520 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.080 6.512 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.487 7.157 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.521 5.709 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.447 6.786 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.023 5.999 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.590 7.633 3.197 1.00 0.00 H new ATOM 325 N ILE A 69 1.165 9.333 0.449 1.00 0.00 N ATOM 326 CA ILE A 69 -0.015 9.801 -0.258 1.00 0.00 C ATOM 327 C ILE A 69 0.246 9.752 -1.765 1.00 0.00 C ATOM 328 O ILE A 69 -0.656 9.445 -2.545 1.00 0.00 O ATOM 329 CB ILE A 69 -0.430 11.184 0.248 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.036 11.095 1.651 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.375 11.869 -0.741 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.090 12.473 2.313 1.00 0.00 C ATOM 0 H ILE A 69 1.490 9.951 1.192 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.863 9.146 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 69 0.464 11.803 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.041 10.677 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.444 10.416 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.655 12.850 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.874 11.985 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.271 11.261 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.525 12.382 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.081 12.878 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.703 13.143 1.710 1.00 0.00 H new ATOM 344 N LYS A 70 1.483 10.057 -2.130 1.00 0.00 N ATOM 345 CA LYS A 70 1.876 10.040 -3.529 1.00 0.00 C ATOM 346 C LYS A 70 1.799 8.606 -4.058 1.00 0.00 C ATOM 347 O LYS A 70 1.144 8.347 -5.066 1.00 0.00 O ATOM 348 CB LYS A 70 3.250 10.688 -3.707 1.00 0.00 C ATOM 349 CG LYS A 70 3.145 12.214 -3.675 1.00 0.00 C ATOM 350 CD LYS A 70 4.531 12.860 -3.703 1.00 0.00 C ATOM 351 CE LYS A 70 4.433 14.376 -3.515 1.00 0.00 C ATOM 352 NZ LYS A 70 3.824 15.007 -4.707 1.00 0.00 N ATOM 0 H LYS A 70 2.226 10.317 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 70 1.187 10.638 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.921 10.349 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.686 10.370 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.562 12.560 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.612 12.527 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.152 12.432 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.020 12.638 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.835 14.601 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.426 14.792 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.827 16.041 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.372 14.751 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.845 14.673 -4.814 1.00 0.00 H new ATOM 366 N ALA A 71 2.478 7.711 -3.354 1.00 0.00 N ATOM 367 CA ALA A 71 2.503 6.313 -3.745 1.00 0.00 C ATOM 368 C ALA A 71 1.067 5.799 -3.873 1.00 0.00 C ATOM 369 O ALA A 71 0.755 5.041 -4.790 1.00 0.00 O ATOM 370 CB ALA A 71 3.321 5.514 -2.731 1.00 0.00 C ATOM 0 H ALA A 71 3.015 7.928 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 71 2.984 6.194 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.340 4.464 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.340 5.900 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.868 5.607 -1.744 1.00 0.00 H new ATOM 376 N VAL A 72 0.232 6.233 -2.940 1.00 0.00 N ATOM 377 CA VAL A 72 -1.161 5.821 -2.934 1.00 0.00 C ATOM 378 C VAL A 72 -1.829 6.271 -4.235 1.00 0.00 C ATOM 379 O VAL A 72 -2.177 5.445 -5.077 1.00 0.00 O ATOM 380 CB VAL A 72 -1.860 6.361 -1.684 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.364 6.083 -1.735 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.239 5.780 -0.414 1.00 0.00 C ATOM 0 H VAL A 72 0.493 6.865 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.238 4.735 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.718 7.442 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.837 6.476 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.794 6.566 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.533 5.008 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.754 6.180 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.335 4.694 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.184 6.051 -0.368 1.00 0.00 H new ATOM 392 N ARG A 73 -1.985 7.581 -4.358 1.00 0.00 N ATOM 393 CA ARG A 73 -2.612 8.152 -5.538 1.00 0.00 C ATOM 394 C ARG A 73 -2.015 7.538 -6.806 1.00 0.00 C ATOM 395 O ARG A 73 -2.712 7.364 -7.804 1.00 0.00 O ATOM 396 CB ARG A 73 -2.429 9.670 -5.580 1.00 0.00 C ATOM 397 CG ARG A 73 -3.746 10.389 -5.281 1.00 0.00 C ATOM 398 CD ARG A 73 -3.569 11.907 -5.351 1.00 0.00 C ATOM 399 NE ARG A 73 -4.832 12.545 -5.785 1.00 0.00 N ATOM 400 CZ ARG A 73 -5.262 12.574 -7.055 1.00 0.00 C ATOM 401 NH1 ARG A 73 -4.583 11.920 -8.005 1.00 0.00 N ATOM 402 NH2 ARG A 73 -6.370 13.256 -7.372 1.00 0.00 N ATOM 0 H ARG A 73 -1.688 8.263 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.677 7.928 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.674 9.969 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.062 9.969 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.507 10.074 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.102 10.106 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.274 12.292 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.768 12.156 -6.047 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.412 12.991 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.739 11.400 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.909 11.941 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.887 13.754 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.697 13.278 -8.338 1.00 0.00 H new ATOM 416 N GLY A 74 -0.729 7.227 -6.725 1.00 0.00 N ATOM 417 CA GLY A 74 -0.014 6.692 -7.871 1.00 0.00 C ATOM 418 C GLY A 74 -0.442 5.251 -8.159 1.00 0.00 C ATOM 419 O GLY A 74 -0.468 4.826 -9.313 1.00 0.00 O ATOM 0 H GLY A 74 -0.164 7.336 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.204 7.314 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.059 6.726 -7.683 1.00 0.00 H new ATOM 423 N ALA A 75 -0.768 4.540 -7.090 1.00 0.00 N ATOM 424 CA ALA A 75 -1.130 3.137 -7.207 1.00 0.00 C ATOM 425 C ALA A 75 -2.625 3.024 -7.512 1.00 0.00 C ATOM 426 O ALA A 75 -3.074 2.027 -8.075 1.00 0.00 O ATOM 427 CB ALA A 75 -0.740 2.401 -5.924 1.00 0.00 C ATOM 0 H ALA A 75 -0.789 4.908 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.589 2.668 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.011 1.349 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.335 2.487 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.266 2.842 -5.077 1.00 0.00 H new ATOM 433 N THR A 76 -3.356 4.061 -7.127 1.00 0.00 N ATOM 434 CA THR A 76 -4.796 4.072 -7.312 1.00 0.00 C ATOM 435 C THR A 76 -5.215 5.267 -8.171 1.00 0.00 C ATOM 436 O THR A 76 -5.523 5.110 -9.352 1.00 0.00 O ATOM 437 CB THR A 76 -5.450 4.057 -5.929 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.012 5.272 -5.326 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.882 2.964 -5.024 1.00 0.00 C ATOM 0 H THR A 76 -2.976 4.900 -6.688 1.00 0.00 H new ATOM 0 HA THR A 76 -5.132 3.189 -7.856 1.00 0.00 H new ATOM 0 HB THR A 76 -6.525 3.914 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.053 5.215 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.381 2.998 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.047 1.989 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.813 3.124 -4.887 1.00 0.00 H new ATOM 447 N GLY A 77 -5.212 6.435 -7.545 1.00 0.00 N ATOM 448 CA GLY A 77 -5.618 7.650 -8.227 1.00 0.00 C ATOM 449 C GLY A 77 -6.854 8.265 -7.566 1.00 0.00 C ATOM 450 O GLY A 77 -7.572 9.046 -8.187 1.00 0.00 O ATOM 0 H GLY A 77 -4.934 6.565 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.799 8.369 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.832 7.430 -9.273 1.00 0.00 H new ATOM 454 N LEU A 78 -7.063 7.887 -6.313 1.00 0.00 N ATOM 455 CA LEU A 78 -8.191 8.403 -5.555 1.00 0.00 C ATOM 456 C LEU A 78 -7.960 9.884 -5.249 1.00 0.00 C ATOM 457 O LEU A 78 -6.819 10.337 -5.183 1.00 0.00 O ATOM 458 CB LEU A 78 -8.434 7.549 -4.307 1.00 0.00 C ATOM 459 CG LEU A 78 -8.921 6.121 -4.558 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.570 5.208 -3.382 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.420 6.100 -4.871 1.00 0.00 C ATOM 0 H LEU A 78 -6.471 7.230 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.106 8.337 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.506 7.501 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.167 8.057 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.403 5.732 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.927 4.199 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.489 5.190 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.044 5.584 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.741 5.073 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.973 6.515 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.614 6.697 -5.762 1.00 0.00 H new ATOM 473 N GLY A 79 -9.063 10.598 -5.072 1.00 0.00 N ATOM 474 CA GLY A 79 -8.995 12.016 -4.763 1.00 0.00 C ATOM 475 C GLY A 79 -8.095 12.268 -3.551 1.00 0.00 C ATOM 476 O GLY A 79 -8.080 11.479 -2.608 1.00 0.00 O ATOM 0 H GLY A 79 -10.008 10.220 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.612 12.562 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.996 12.397 -4.563 1.00 0.00 H new ATOM 480 N LEU A 80 -7.367 13.374 -3.616 1.00 0.00 N ATOM 481 CA LEU A 80 -6.465 13.739 -2.538 1.00 0.00 C ATOM 482 C LEU A 80 -7.134 13.443 -1.195 1.00 0.00 C ATOM 483 O LEU A 80 -6.515 12.865 -0.302 1.00 0.00 O ATOM 484 CB LEU A 80 -6.009 15.193 -2.689 1.00 0.00 C ATOM 485 CG LEU A 80 -4.599 15.509 -2.187 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.210 16.951 -2.520 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.468 15.210 -0.693 1.00 0.00 C ATOM 0 H LEU A 80 -7.384 14.028 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.557 13.137 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.067 15.464 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.714 15.831 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.897 14.857 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.203 17.150 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.237 17.095 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.912 17.636 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.456 15.444 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.181 15.818 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.674 14.155 -0.514 1.00 0.00 H new ATOM 499 N LYS A 81 -8.390 13.850 -1.093 1.00 0.00 N ATOM 500 CA LYS A 81 -9.145 13.654 0.133 1.00 0.00 C ATOM 501 C LYS A 81 -9.213 12.159 0.451 1.00 0.00 C ATOM 502 O LYS A 81 -8.632 11.702 1.436 1.00 0.00 O ATOM 503 CB LYS A 81 -10.516 14.324 0.033 1.00 0.00 C ATOM 504 CG LYS A 81 -11.266 14.242 1.364 1.00 0.00 C ATOM 505 CD LYS A 81 -12.440 13.265 1.274 1.00 0.00 C ATOM 506 CE LYS A 81 -13.599 13.871 0.483 1.00 0.00 C ATOM 507 NZ LYS A 81 -14.656 12.860 0.254 1.00 0.00 N ATOM 0 H LYS A 81 -8.905 14.315 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.642 14.137 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.394 15.368 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.103 13.843 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.583 13.923 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.632 15.231 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.113 12.341 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.777 13.003 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.012 14.721 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.236 14.249 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.102 13.027 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.236 11.909 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.374 12.933 1.003 1.00 0.00 H new ATOM 521 N GLU A 82 -9.924 11.436 -0.400 1.00 0.00 N ATOM 522 CA GLU A 82 -10.101 10.008 -0.205 1.00 0.00 C ATOM 523 C GLU A 82 -8.784 9.367 0.238 1.00 0.00 C ATOM 524 O GLU A 82 -8.758 8.592 1.194 1.00 0.00 O ATOM 525 CB GLU A 82 -10.635 9.342 -1.476 1.00 0.00 C ATOM 526 CG GLU A 82 -12.078 9.768 -1.753 1.00 0.00 C ATOM 527 CD GLU A 82 -13.002 9.348 -0.609 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.012 8.137 -0.301 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.680 10.249 -0.067 1.00 0.00 O ATOM 0 H GLU A 82 -10.385 11.813 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.840 9.857 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.004 9.609 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.586 8.258 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.123 10.849 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.421 9.320 -2.686 1.00 0.00 H new ATOM 536 N ALA A 83 -7.723 9.712 -0.477 1.00 0.00 N ATOM 537 CA ALA A 83 -6.418 9.133 -0.207 1.00 0.00 C ATOM 538 C ALA A 83 -5.992 9.491 1.218 1.00 0.00 C ATOM 539 O ALA A 83 -5.537 8.629 1.967 1.00 0.00 O ATOM 540 CB ALA A 83 -5.417 9.623 -1.256 1.00 0.00 C ATOM 0 H ALA A 83 -7.741 10.385 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.457 8.046 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.437 9.189 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.751 9.319 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.348 10.710 -1.214 1.00 0.00 H new ATOM 546 N LYS A 84 -6.156 10.763 1.549 1.00 0.00 N ATOM 547 CA LYS A 84 -5.783 11.247 2.867 1.00 0.00 C ATOM 548 C LYS A 84 -6.510 10.426 3.933 1.00 0.00 C ATOM 549 O LYS A 84 -5.880 9.864 4.827 1.00 0.00 O ATOM 550 CB LYS A 84 -6.032 12.753 2.976 1.00 0.00 C ATOM 551 CG LYS A 84 -5.604 13.282 4.346 1.00 0.00 C ATOM 552 CD LYS A 84 -5.825 14.793 4.444 1.00 0.00 C ATOM 553 CE LYS A 84 -5.540 15.298 5.858 1.00 0.00 C ATOM 554 NZ LYS A 84 -6.650 14.941 6.770 1.00 0.00 N ATOM 0 H LYS A 84 -6.542 11.473 0.927 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.714 11.111 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.481 13.274 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.089 12.963 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.170 12.777 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.552 13.053 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.177 15.306 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.852 15.032 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.608 14.867 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.407 16.380 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.498 15.392 7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.550 15.272 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.683 13.908 6.889 1.00 0.00 H new ATOM 568 N ASP A 85 -7.828 10.381 3.803 1.00 0.00 N ATOM 569 CA ASP A 85 -8.652 9.668 4.764 1.00 0.00 C ATOM 570 C ASP A 85 -8.150 8.229 4.891 1.00 0.00 C ATOM 571 O ASP A 85 -7.976 7.724 5.999 1.00 0.00 O ATOM 572 CB ASP A 85 -10.112 9.622 4.311 1.00 0.00 C ATOM 573 CG ASP A 85 -10.760 10.988 4.073 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.637 11.839 4.980 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.362 11.150 2.990 1.00 0.00 O ATOM 0 H ASP A 85 -8.346 10.827 3.046 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.587 10.192 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.173 9.043 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.693 9.087 5.062 1.00 0.00 H new ATOM 580 N LEU A 86 -7.932 7.608 3.741 1.00 0.00 N ATOM 581 CA LEU A 86 -7.482 6.228 3.709 1.00 0.00 C ATOM 582 C LEU A 86 -6.275 6.067 4.635 1.00 0.00 C ATOM 583 O LEU A 86 -6.306 5.268 5.569 1.00 0.00 O ATOM 584 CB LEU A 86 -7.216 5.784 2.269 1.00 0.00 C ATOM 585 CG LEU A 86 -6.749 4.337 2.089 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.938 3.372 2.096 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.900 4.190 0.826 1.00 0.00 C ATOM 0 H LEU A 86 -8.059 8.036 2.824 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.262 5.565 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.130 5.925 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.463 6.444 1.839 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.116 4.074 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.579 2.351 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.467 3.453 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.616 3.624 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.581 3.153 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.490 4.478 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.024 4.834 0.900 1.00 0.00 H new ATOM 599 N VAL A 87 -5.239 6.842 4.343 1.00 0.00 N ATOM 600 CA VAL A 87 -4.006 6.761 5.107 1.00 0.00 C ATOM 601 C VAL A 87 -4.301 7.060 6.578 1.00 0.00 C ATOM 602 O VAL A 87 -3.754 6.411 7.469 1.00 0.00 O ATOM 603 CB VAL A 87 -2.955 7.696 4.505 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.773 7.878 5.459 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.485 7.187 3.141 1.00 0.00 C ATOM 0 H VAL A 87 -5.229 7.528 3.588 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.592 5.754 5.058 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.419 8.671 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.040 8.547 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.125 8.306 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.310 6.911 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.738 7.870 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.047 6.195 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.335 7.133 2.460 1.00 0.00 H new ATOM 615 N GLU A 88 -5.165 8.042 6.786 1.00 0.00 N ATOM 616 CA GLU A 88 -5.474 8.493 8.133 1.00 0.00 C ATOM 617 C GLU A 88 -6.342 7.459 8.853 1.00 0.00 C ATOM 618 O GLU A 88 -6.538 7.542 10.064 1.00 0.00 O ATOM 619 CB GLU A 88 -6.159 9.861 8.110 1.00 0.00 C ATOM 620 CG GLU A 88 -5.163 10.967 7.754 1.00 0.00 C ATOM 621 CD GLU A 88 -4.222 11.256 8.926 1.00 0.00 C ATOM 622 OE1 GLU A 88 -4.696 11.897 9.888 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.051 10.830 8.832 1.00 0.00 O ATOM 0 H GLU A 88 -5.661 8.538 6.045 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.539 8.600 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.973 9.852 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.603 10.066 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.582 10.671 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.703 11.875 7.484 1.00 0.00 H new ATOM 630 N SER A 89 -6.838 6.506 8.077 1.00 0.00 N ATOM 631 CA SER A 89 -7.715 5.480 8.617 1.00 0.00 C ATOM 632 C SER A 89 -6.979 4.140 8.671 1.00 0.00 C ATOM 633 O SER A 89 -7.608 3.086 8.746 1.00 0.00 O ATOM 634 CB SER A 89 -8.992 5.353 7.784 1.00 0.00 C ATOM 635 OG SER A 89 -9.738 6.567 7.758 1.00 0.00 O ATOM 0 H SER A 89 -6.649 6.423 7.078 1.00 0.00 H new ATOM 0 HA SER A 89 -8.002 5.771 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.733 5.066 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.613 4.555 8.192 1.00 0.00 H new ATOM 0 HG SER A 89 -9.298 7.208 7.162 1.00 0.00 H new ATOM 641 N ALA A 90 -5.657 4.224 8.631 1.00 0.00 N ATOM 642 CA ALA A 90 -4.829 3.032 8.684 1.00 0.00 C ATOM 643 C ALA A 90 -5.251 2.176 9.880 1.00 0.00 C ATOM 644 O ALA A 90 -5.714 2.701 10.891 1.00 0.00 O ATOM 645 CB ALA A 90 -3.355 3.435 8.745 1.00 0.00 C ATOM 0 H ALA A 90 -5.139 5.100 8.562 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.964 2.431 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.734 2.540 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.099 4.015 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.179 4.038 9.636 1.00 0.00 H new ATOM 651 N PRO A 91 -5.068 0.837 9.722 1.00 0.00 N ATOM 652 CA PRO A 91 -4.522 0.298 8.490 1.00 0.00 C ATOM 653 C PRO A 91 -5.563 0.323 7.370 1.00 0.00 C ATOM 654 O PRO A 91 -6.762 0.391 7.634 1.00 0.00 O ATOM 655 CB PRO A 91 -4.065 -1.109 8.847 1.00 0.00 C ATOM 656 CG PRO A 91 -4.792 -1.470 10.132 1.00 0.00 C ATOM 657 CD PRO A 91 -5.379 -0.193 10.710 1.00 0.00 C ATOM 0 HA PRO A 91 -3.691 0.888 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.307 -1.812 8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.985 -1.145 8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.580 -2.197 9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.105 -1.930 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.454 -0.285 10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.939 0.042 11.679 1.00 0.00 H new ATOM 665 N ALA A 92 -5.065 0.266 6.143 1.00 0.00 N ATOM 666 CA ALA A 92 -5.934 0.339 4.980 1.00 0.00 C ATOM 667 C ALA A 92 -5.463 -0.673 3.933 1.00 0.00 C ATOM 668 O ALA A 92 -4.318 -1.119 3.966 1.00 0.00 O ATOM 669 CB ALA A 92 -5.945 1.771 4.443 1.00 0.00 C ATOM 0 H ALA A 92 -4.072 0.170 5.929 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.959 0.083 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.596 1.828 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.313 2.446 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.933 2.061 4.160 1.00 0.00 H new ATOM 675 N ALA A 93 -6.372 -1.005 3.029 1.00 0.00 N ATOM 676 CA ALA A 93 -6.051 -1.919 1.946 1.00 0.00 C ATOM 677 C ALA A 93 -5.584 -1.117 0.729 1.00 0.00 C ATOM 678 O ALA A 93 -6.367 -0.382 0.127 1.00 0.00 O ATOM 679 CB ALA A 93 -7.268 -2.793 1.635 1.00 0.00 C ATOM 0 H ALA A 93 -7.331 -0.658 3.024 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.238 -2.585 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.026 -3.478 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.542 -3.364 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.104 -2.160 1.339 1.00 0.00 H new ATOM 685 N LEU A 94 -4.311 -1.285 0.401 1.00 0.00 N ATOM 686 CA LEU A 94 -3.737 -0.602 -0.746 1.00 0.00 C ATOM 687 C LEU A 94 -4.055 -1.393 -2.016 1.00 0.00 C ATOM 688 O LEU A 94 -4.466 -0.818 -3.022 1.00 0.00 O ATOM 689 CB LEU A 94 -2.242 -0.359 -0.530 1.00 0.00 C ATOM 690 CG LEU A 94 -1.859 1.013 0.027 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.346 1.124 0.224 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.403 2.138 -0.859 1.00 0.00 C ATOM 0 H LEU A 94 -3.661 -1.884 0.910 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.183 0.385 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.864 -1.123 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.730 -0.498 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.321 1.122 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.102 2.109 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.013 0.358 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.157 0.984 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.116 3.102 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.991 2.042 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.490 2.071 -0.905 1.00 0.00 H new ATOM 704 N LYS A 95 -3.852 -2.698 -1.927 1.00 0.00 N ATOM 705 CA LYS A 95 -4.114 -3.575 -3.057 1.00 0.00 C ATOM 706 C LYS A 95 -4.640 -4.919 -2.544 1.00 0.00 C ATOM 707 O LYS A 95 -4.285 -5.349 -1.447 1.00 0.00 O ATOM 708 CB LYS A 95 -2.872 -3.698 -3.941 1.00 0.00 C ATOM 709 CG LYS A 95 -1.970 -2.472 -3.791 1.00 0.00 C ATOM 710 CD LYS A 95 -0.730 -2.590 -4.679 1.00 0.00 C ATOM 711 CE LYS A 95 -1.038 -2.146 -6.111 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.020 -2.675 -7.047 1.00 0.00 N ATOM 0 H LYS A 95 -3.509 -3.171 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.889 -3.151 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.317 -4.597 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.172 -3.808 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.526 -1.573 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.667 -2.365 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.074 -1.979 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.377 -3.621 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.027 -2.499 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.059 -1.058 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.224 -2.337 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.923 -2.346 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.043 -3.715 -7.033 1.00 0.00 H new ATOM 726 N GLU A 96 -5.475 -5.541 -3.361 1.00 0.00 N ATOM 727 CA GLU A 96 -6.052 -6.826 -3.003 1.00 0.00 C ATOM 728 C GLU A 96 -5.790 -7.851 -4.110 1.00 0.00 C ATOM 729 O GLU A 96 -6.087 -7.598 -5.277 1.00 0.00 O ATOM 730 CB GLU A 96 -7.549 -6.696 -2.719 1.00 0.00 C ATOM 731 CG GLU A 96 -7.802 -5.783 -1.517 1.00 0.00 C ATOM 732 CD GLU A 96 -9.292 -5.719 -1.180 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.843 -6.788 -0.838 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.848 -4.603 -1.272 1.00 0.00 O ATOM 0 H GLU A 96 -5.766 -5.180 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.573 -7.176 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.056 -6.296 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.973 -7.682 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.246 -6.150 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.431 -4.781 -1.733 1.00 0.00 H new ATOM 741 N GLY A 97 -5.241 -8.986 -3.704 1.00 0.00 N ATOM 742 CA GLY A 97 -4.939 -10.050 -4.646 1.00 0.00 C ATOM 743 C GLY A 97 -4.338 -9.486 -5.935 1.00 0.00 C ATOM 744 O GLY A 97 -5.021 -9.387 -6.951 1.00 0.00 O ATOM 0 H GLY A 97 -4.997 -9.192 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.241 -10.755 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.848 -10.605 -4.877 1.00 0.00 H new ATOM 748 N VAL A 98 -3.064 -9.133 -5.849 1.00 0.00 N ATOM 749 CA VAL A 98 -2.355 -8.605 -7.004 1.00 0.00 C ATOM 750 C VAL A 98 -1.099 -9.443 -7.254 1.00 0.00 C ATOM 751 O VAL A 98 -0.713 -10.254 -6.414 1.00 0.00 O ATOM 752 CB VAL A 98 -2.050 -7.120 -6.797 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.337 -6.293 -6.783 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.244 -6.899 -5.516 1.00 0.00 C ATOM 0 H VAL A 98 -2.504 -9.202 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.976 -8.675 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.443 -6.783 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.092 -5.241 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.857 -6.414 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.980 -6.634 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.041 -5.835 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.814 -7.261 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.302 -7.443 -5.581 1.00 0.00 H new ATOM 764 N SER A 99 -0.499 -9.219 -8.413 1.00 0.00 N ATOM 765 CA SER A 99 0.709 -9.939 -8.781 1.00 0.00 C ATOM 766 C SER A 99 1.816 -9.659 -7.762 1.00 0.00 C ATOM 767 O SER A 99 1.971 -8.529 -7.302 1.00 0.00 O ATOM 768 CB SER A 99 1.173 -9.553 -10.187 1.00 0.00 C ATOM 769 OG SER A 99 1.426 -8.155 -10.301 1.00 0.00 O ATOM 0 H SER A 99 -0.826 -8.550 -9.110 1.00 0.00 H new ATOM 0 HA SER A 99 0.485 -11.006 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.079 -10.107 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.413 -9.844 -10.912 1.00 0.00 H new ATOM 0 HG SER A 99 0.575 -7.672 -10.354 1.00 0.00 H new ATOM 775 N LYS A 100 2.557 -10.709 -7.439 1.00 0.00 N ATOM 776 CA LYS A 100 3.633 -10.595 -6.469 1.00 0.00 C ATOM 777 C LYS A 100 4.562 -9.451 -6.879 1.00 0.00 C ATOM 778 O LYS A 100 4.950 -8.632 -6.046 1.00 0.00 O ATOM 779 CB LYS A 100 4.348 -11.938 -6.302 1.00 0.00 C ATOM 780 CG LYS A 100 5.278 -11.916 -5.087 1.00 0.00 C ATOM 781 CD LYS A 100 6.688 -11.473 -5.483 1.00 0.00 C ATOM 782 CE LYS A 100 7.368 -12.527 -6.359 1.00 0.00 C ATOM 783 NZ LYS A 100 7.730 -11.955 -7.673 1.00 0.00 N ATOM 0 H LYS A 100 2.434 -11.642 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 100 3.235 -10.347 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.612 -12.734 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.923 -12.162 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.879 -11.239 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.318 -12.908 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.638 -10.526 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.284 -11.300 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.262 -12.901 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.701 -13.378 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.852 -12.723 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.974 -11.317 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.619 -11.422 -7.587 1.00 0.00 H new ATOM 797 N ASP A 101 4.893 -9.429 -8.162 1.00 0.00 N ATOM 798 CA ASP A 101 5.837 -8.452 -8.674 1.00 0.00 C ATOM 799 C ASP A 101 5.344 -7.043 -8.334 1.00 0.00 C ATOM 800 O ASP A 101 6.131 -6.184 -7.941 1.00 0.00 O ATOM 801 CB ASP A 101 5.962 -8.552 -10.196 1.00 0.00 C ATOM 802 CG ASP A 101 6.550 -9.868 -10.711 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.483 -10.370 -10.048 1.00 0.00 O ATOM 804 OD2 ASP A 101 6.052 -10.341 -11.756 1.00 0.00 O ATOM 0 H ASP A 101 4.524 -10.073 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 101 6.807 -8.650 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.974 -8.416 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.585 -7.730 -10.549 1.00 0.00 H new ATOM 809 N ASP A 102 4.043 -6.853 -8.494 1.00 0.00 N ATOM 810 CA ASP A 102 3.440 -5.553 -8.247 1.00 0.00 C ATOM 811 C ASP A 102 3.458 -5.267 -6.743 1.00 0.00 C ATOM 812 O ASP A 102 3.629 -4.123 -6.326 1.00 0.00 O ATOM 813 CB ASP A 102 1.986 -5.521 -8.717 1.00 0.00 C ATOM 814 CG ASP A 102 1.798 -5.395 -10.229 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.835 -5.316 -10.926 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.623 -5.381 -10.657 1.00 0.00 O ATOM 0 H ASP A 102 3.389 -7.577 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 102 4.012 -4.806 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.491 -6.431 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.482 -4.685 -8.232 1.00 0.00 H new ATOM 821 N ALA A 103 3.278 -6.328 -5.969 1.00 0.00 N ATOM 822 CA ALA A 103 3.257 -6.203 -4.522 1.00 0.00 C ATOM 823 C ALA A 103 4.630 -5.735 -4.035 1.00 0.00 C ATOM 824 O ALA A 103 4.725 -4.795 -3.246 1.00 0.00 O ATOM 825 CB ALA A 103 2.843 -7.539 -3.900 1.00 0.00 C ATOM 0 H ALA A 103 3.145 -7.278 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 103 2.525 -5.457 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.827 -7.445 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.850 -7.813 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.557 -8.311 -4.187 1.00 0.00 H new ATOM 831 N GLU A 104 5.659 -6.410 -4.525 1.00 0.00 N ATOM 832 CA GLU A 104 7.017 -6.108 -4.110 1.00 0.00 C ATOM 833 C GLU A 104 7.447 -4.744 -4.654 1.00 0.00 C ATOM 834 O GLU A 104 8.332 -4.100 -4.092 1.00 0.00 O ATOM 835 CB GLU A 104 7.985 -7.205 -4.560 1.00 0.00 C ATOM 836 CG GLU A 104 9.392 -6.955 -4.011 1.00 0.00 C ATOM 837 CD GLU A 104 10.272 -8.195 -4.175 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.213 -8.793 -5.271 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.985 -8.519 -3.200 1.00 0.00 O ATOM 0 H GLU A 104 5.579 -7.165 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 104 7.043 -6.069 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.625 -8.175 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.017 -7.242 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.845 -6.112 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.332 -6.684 -2.957 1.00 0.00 H new ATOM 846 N ALA A 105 6.800 -4.343 -5.738 1.00 0.00 N ATOM 847 CA ALA A 105 7.109 -3.071 -6.367 1.00 0.00 C ATOM 848 C ALA A 105 6.603 -1.932 -5.478 1.00 0.00 C ATOM 849 O ALA A 105 7.351 -1.008 -5.162 1.00 0.00 O ATOM 850 CB ALA A 105 6.497 -3.032 -7.769 1.00 0.00 C ATOM 0 H ALA A 105 6.062 -4.877 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 105 8.186 -2.949 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.729 -2.077 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.910 -3.843 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.416 -3.148 -7.697 1.00 0.00 H new ATOM 856 N LEU A 106 5.337 -2.035 -5.102 1.00 0.00 N ATOM 857 CA LEU A 106 4.716 -1.016 -4.274 1.00 0.00 C ATOM 858 C LEU A 106 5.394 -0.994 -2.903 1.00 0.00 C ATOM 859 O LEU A 106 5.701 0.072 -2.374 1.00 0.00 O ATOM 860 CB LEU A 106 3.202 -1.225 -4.208 1.00 0.00 C ATOM 861 CG LEU A 106 2.434 -0.285 -3.279 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.722 -0.607 -1.813 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.730 1.179 -3.614 1.00 0.00 C ATOM 0 H LEU A 106 4.724 -2.810 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 106 4.858 -0.030 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.797 -1.120 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.011 -2.251 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 106 1.367 -0.443 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.163 0.076 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.420 -1.632 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.789 -0.495 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.171 1.827 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.797 1.370 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.433 1.384 -4.642 1.00 0.00 H new ATOM 875 N LYS A 107 5.608 -2.187 -2.366 1.00 0.00 N ATOM 876 CA LYS A 107 6.235 -2.319 -1.062 1.00 0.00 C ATOM 877 C LYS A 107 7.573 -1.578 -1.066 1.00 0.00 C ATOM 878 O LYS A 107 7.846 -0.778 -0.174 1.00 0.00 O ATOM 879 CB LYS A 107 6.347 -3.793 -0.668 1.00 0.00 C ATOM 880 CG LYS A 107 7.154 -3.956 0.621 1.00 0.00 C ATOM 881 CD LYS A 107 7.109 -5.403 1.116 1.00 0.00 C ATOM 882 CE LYS A 107 8.084 -5.616 2.277 1.00 0.00 C ATOM 883 NZ LYS A 107 7.967 -6.993 2.806 1.00 0.00 N ATOM 0 H LYS A 107 5.358 -3.070 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 107 5.617 -1.855 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.351 -4.214 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.823 -4.353 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.188 -3.659 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.757 -3.292 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.097 -5.650 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.359 -6.079 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.105 -5.435 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.878 -4.897 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.635 -7.121 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.997 -7.153 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.186 -7.674 2.052 1.00 0.00 H new ATOM 897 N LYS A 108 8.373 -1.874 -2.081 1.00 0.00 N ATOM 898 CA LYS A 108 9.683 -1.258 -2.204 1.00 0.00 C ATOM 899 C LYS A 108 9.536 0.262 -2.137 1.00 0.00 C ATOM 900 O LYS A 108 10.358 0.944 -1.526 1.00 0.00 O ATOM 901 CB LYS A 108 10.390 -1.753 -3.467 1.00 0.00 C ATOM 902 CG LYS A 108 11.129 -3.067 -3.204 1.00 0.00 C ATOM 903 CD LYS A 108 11.826 -3.568 -4.470 1.00 0.00 C ATOM 904 CE LYS A 108 13.329 -3.291 -4.415 1.00 0.00 C ATOM 905 NZ LYS A 108 14.010 -4.287 -3.557 1.00 0.00 N ATOM 0 H LYS A 108 8.139 -2.532 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 108 10.322 -1.553 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.660 -1.896 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.096 -0.998 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.865 -2.922 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.425 -3.820 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.654 -4.638 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.395 -3.080 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.747 -3.323 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.506 -2.288 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.030 -4.084 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.623 -4.238 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.857 -5.240 -3.943 1.00 0.00 H new ATOM 919 N ALA A 109 8.482 0.752 -2.774 1.00 0.00 N ATOM 920 CA ALA A 109 8.255 2.185 -2.854 1.00 0.00 C ATOM 921 C ALA A 109 7.986 2.733 -1.451 1.00 0.00 C ATOM 922 O ALA A 109 8.495 3.791 -1.087 1.00 0.00 O ATOM 923 CB ALA A 109 7.102 2.466 -3.821 1.00 0.00 C ATOM 0 H ALA A 109 7.776 0.182 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 109 9.138 2.693 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.931 3.541 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.355 2.083 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.198 1.975 -3.462 1.00 0.00 H new ATOM 929 N LEU A 110 7.186 1.988 -0.703 1.00 0.00 N ATOM 930 CA LEU A 110 6.849 2.382 0.654 1.00 0.00 C ATOM 931 C LEU A 110 8.122 2.408 1.504 1.00 0.00 C ATOM 932 O LEU A 110 8.351 3.352 2.257 1.00 0.00 O ATOM 933 CB LEU A 110 5.753 1.479 1.219 1.00 0.00 C ATOM 934 CG LEU A 110 4.314 1.875 0.876 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.729 2.796 1.948 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.234 2.495 -0.519 1.00 0.00 C ATOM 0 H LEU A 110 6.761 1.113 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 110 6.436 3.391 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.925 0.464 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.853 1.455 2.304 1.00 0.00 H new ATOM 0 HG LEU A 110 3.705 0.971 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.707 3.062 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.730 2.282 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.333 3.701 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.201 2.767 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.860 3.386 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.583 1.774 -1.258 1.00 0.00 H new ATOM 948 N GLU A 111 8.918 1.358 1.352 1.00 0.00 N ATOM 949 CA GLU A 111 10.130 1.220 2.140 1.00 0.00 C ATOM 950 C GLU A 111 11.137 2.308 1.761 1.00 0.00 C ATOM 951 O GLU A 111 11.845 2.830 2.621 1.00 0.00 O ATOM 952 CB GLU A 111 10.739 -0.174 1.968 1.00 0.00 C ATOM 953 CG GLU A 111 9.850 -1.243 2.606 1.00 0.00 C ATOM 954 CD GLU A 111 10.405 -2.645 2.345 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.654 -2.945 1.157 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.568 -3.385 3.339 1.00 0.00 O ATOM 0 H GLU A 111 8.746 0.597 0.695 1.00 0.00 H new ATOM 0 HA GLU A 111 9.872 1.342 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.869 -0.390 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.729 -0.201 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.780 -1.070 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.839 -1.168 2.205 1.00 0.00 H new ATOM 963 N GLU A 112 11.168 2.617 0.474 1.00 0.00 N ATOM 964 CA GLU A 112 12.067 3.643 -0.029 1.00 0.00 C ATOM 965 C GLU A 112 11.794 4.977 0.671 1.00 0.00 C ATOM 966 O GLU A 112 12.722 5.723 0.977 1.00 0.00 O ATOM 967 CB GLU A 112 11.944 3.786 -1.547 1.00 0.00 C ATOM 968 CG GLU A 112 12.809 2.750 -2.266 1.00 0.00 C ATOM 969 CD GLU A 112 14.291 3.125 -2.190 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.621 4.232 -2.667 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.060 2.295 -1.657 1.00 0.00 O ATOM 0 H GLU A 112 10.585 2.175 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 112 13.091 3.341 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.902 3.665 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.246 4.789 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.655 1.768 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.502 2.676 -3.309 1.00 0.00 H new ATOM 978 N ALA A 113 10.516 5.235 0.903 1.00 0.00 N ATOM 979 CA ALA A 113 10.107 6.477 1.538 1.00 0.00 C ATOM 980 C ALA A 113 10.279 6.351 3.053 1.00 0.00 C ATOM 981 O ALA A 113 10.558 7.336 3.734 1.00 0.00 O ATOM 982 CB ALA A 113 8.666 6.803 1.140 1.00 0.00 C ATOM 0 H ALA A 113 9.750 4.606 0.663 1.00 0.00 H new ATOM 0 HA ALA A 113 10.733 7.304 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.359 7.734 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.603 6.911 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.008 5.996 1.463 1.00 0.00 H new ATOM 988 N GLY A 114 10.104 5.130 3.537 1.00 0.00 N ATOM 989 CA GLY A 114 10.239 4.861 4.959 1.00 0.00 C ATOM 990 C GLY A 114 8.868 4.690 5.616 1.00 0.00 C ATOM 991 O GLY A 114 8.523 5.424 6.542 1.00 0.00 O ATOM 0 H GLY A 114 9.870 4.315 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.833 3.959 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.777 5.679 5.438 1.00 0.00 H new ATOM 995 N ALA A 115 8.124 3.716 5.113 1.00 0.00 N ATOM 996 CA ALA A 115 6.797 3.440 5.639 1.00 0.00 C ATOM 997 C ALA A 115 6.688 1.952 5.979 1.00 0.00 C ATOM 998 O ALA A 115 7.531 1.155 5.571 1.00 0.00 O ATOM 999 CB ALA A 115 5.743 3.884 4.622 1.00 0.00 C ATOM 0 H ALA A 115 8.414 3.108 4.347 1.00 0.00 H new ATOM 0 HA ALA A 115 6.623 4.002 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.748 3.677 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.845 4.953 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.885 3.338 3.689 1.00 0.00 H new ATOM 1005 N GLU A 116 5.643 1.624 6.724 1.00 0.00 N ATOM 1006 CA GLU A 116 5.418 0.247 7.130 1.00 0.00 C ATOM 1007 C GLU A 116 4.325 -0.390 6.270 1.00 0.00 C ATOM 1008 O GLU A 116 3.189 0.082 6.254 1.00 0.00 O ATOM 1009 CB GLU A 116 5.061 0.167 8.616 1.00 0.00 C ATOM 1010 CG GLU A 116 5.122 -1.277 9.118 1.00 0.00 C ATOM 1011 CD GLU A 116 4.660 -1.373 10.574 1.00 0.00 C ATOM 1012 OE1 GLU A 116 5.393 -0.845 11.437 1.00 0.00 O ATOM 1013 OE2 GLU A 116 3.584 -1.973 10.789 1.00 0.00 O ATOM 0 H GLU A 116 4.943 2.287 7.057 1.00 0.00 H new ATOM 0 HA GLU A 116 6.342 -0.311 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.749 0.786 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.061 0.569 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.494 -1.910 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.141 -1.653 9.031 1.00 0.00 H new ATOM 1020 N VAL A 117 4.708 -1.451 5.574 1.00 0.00 N ATOM 1021 CA VAL A 117 3.778 -2.150 4.705 1.00 0.00 C ATOM 1022 C VAL A 117 3.496 -3.539 5.281 1.00 0.00 C ATOM 1023 O VAL A 117 4.263 -4.043 6.099 1.00 0.00 O ATOM 1024 CB VAL A 117 4.327 -2.196 3.278 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.856 -3.456 2.549 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.939 -0.936 2.501 1.00 0.00 C ATOM 0 H VAL A 117 5.650 -1.843 5.595 1.00 0.00 H new ATOM 0 HA VAL A 117 2.828 -1.618 4.656 1.00 0.00 H new ATOM 0 HB VAL A 117 5.415 -2.231 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.261 -3.463 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.204 -4.338 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.767 -3.465 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.342 -0.994 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.853 -0.857 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.346 -0.059 3.004 1.00 0.00 H new ATOM 1036 N GLU A 118 2.393 -4.118 4.831 1.00 0.00 N ATOM 1037 CA GLU A 118 2.016 -5.453 5.269 1.00 0.00 C ATOM 1038 C GLU A 118 1.649 -6.322 4.064 1.00 0.00 C ATOM 1039 O GLU A 118 0.887 -5.898 3.197 1.00 0.00 O ATOM 1040 CB GLU A 118 0.865 -5.396 6.275 1.00 0.00 C ATOM 1041 CG GLU A 118 0.377 -6.802 6.630 1.00 0.00 C ATOM 1042 CD GLU A 118 1.491 -7.618 7.288 1.00 0.00 C ATOM 1043 OE1 GLU A 118 1.992 -7.155 8.335 1.00 0.00 O ATOM 1044 OE2 GLU A 118 1.816 -8.688 6.728 1.00 0.00 O ATOM 0 H GLU A 118 1.748 -3.688 4.168 1.00 0.00 H new ATOM 0 HA GLU A 118 2.871 -5.905 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.192 -4.882 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.042 -4.816 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.477 -6.735 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.033 -7.310 5.729 1.00 0.00 H new ATOM 1051 N VAL A 119 2.209 -7.523 4.048 1.00 0.00 N ATOM 1052 CA VAL A 119 1.923 -8.468 2.982 1.00 0.00 C ATOM 1053 C VAL A 119 1.228 -9.698 3.570 1.00 0.00 C ATOM 1054 O VAL A 119 1.811 -10.419 4.378 1.00 0.00 O ATOM 1055 CB VAL A 119 3.211 -8.812 2.230 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.917 -9.701 1.021 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.957 -7.544 1.811 1.00 0.00 C ATOM 0 H VAL A 119 2.859 -7.863 4.756 1.00 0.00 H new ATOM 0 HA VAL A 119 1.243 -8.028 2.253 1.00 0.00 H new ATOM 0 HB VAL A 119 3.857 -9.370 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.848 -9.931 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.449 -10.627 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.244 -9.179 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.868 -7.817 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.321 -6.946 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.214 -6.964 2.697 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.010 -9.899 3.141 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.788 -11.033 3.609 1.00 0.00 C ATOM 1069 C LYS A 120 -1.609 -11.596 2.447 1.00 0.00 C ATOM 1070 O LYS A 120 -1.696 -10.979 1.387 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.630 -10.639 4.823 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.780 -9.714 4.417 1.00 0.00 C ATOM 1073 CD LYS A 120 -4.091 -10.492 4.286 1.00 0.00 C ATOM 1074 CE LYS A 120 -5.266 -9.546 4.030 1.00 0.00 C ATOM 1075 NZ LYS A 120 -5.538 -8.722 5.230 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.177 -12.730 2.679 1.00 0.00 O ATOM 0 H LYS A 120 -0.493 -9.296 2.475 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.131 -11.832 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.030 -11.535 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.001 -10.140 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.895 -8.924 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.544 -9.230 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -4.012 -11.209 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.271 -11.064 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.042 -8.900 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.154 -10.122 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.494 -8.318 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.470 -9.316 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.841 -7.953 5.288 1.00 0.00 H new TER 1090 LYS A 120