USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 7 LYS NZ :NH3+ -158:sc= 1.52 (180deg=0.174) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.357 K(o=1.2,f=-1.3) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.49 K(o=-0.6,f=-2) USER MOD Set 2.2: A 82 GLN : amide:sc= -0.109 X(o=-0.6,f=-0.69) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0197 (180deg=-0.223) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.458 (180deg=0.442) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0.359 (180deg=0.248) USER MOD Single : A 13 TYR OH : rot 140:sc= -0.639 USER MOD Single : A 15 MET CE :methyl 145:sc= 0 (180deg=-0.036) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 41 ASN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 43 MET CE :methyl 141:sc= -0.0665 (180deg=-1.17) USER MOD Single : A 44 ASN : amide:sc= -1.97! C(o=-2!,f=-7!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0823 (180deg=-0.33) USER MOD Single : A 49 MET CE :methyl 160:sc= -3.25 (180deg=-3.94) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 148:sc= -1.48 (180deg=-2.07) USER MOD Single : A 59 SER OG : rot 35:sc= 0.122 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.27 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -160:sc= -0.219 USER MOD Single : A 79 THR OG1 : rot 80:sc= 0.769 USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= -1 (180deg=-2.06) USER MOD Single : A 87 SER OG : rot -142:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.085 16.796 3.119 1.00 20.24 N ATOM 2 CA MET A 1 3.407 17.070 1.697 1.00 21.32 C ATOM 3 C MET A 1 2.629 16.100 0.784 1.00 65.15 C ATOM 4 O MET A 1 3.117 15.004 0.468 1.00 11.14 O ATOM 5 CB MET A 1 4.951 17.004 1.458 1.00 61.44 C ATOM 6 CG MET A 1 5.409 17.401 0.043 1.00 72.04 C ATOM 7 SD MET A 1 7.210 17.371 -0.160 1.00 42.32 S ATOM 8 CE MET A 1 7.747 18.706 0.916 1.00 45.21 C ATOM 0 H1 MET A 1 3.687 17.383 3.731 1.00 20.24 H new ATOM 0 H2 MET A 1 2.086 17.021 3.298 1.00 20.24 H new ATOM 0 H3 MET A 1 3.256 15.791 3.326 1.00 20.24 H new ATOM 0 HA MET A 1 3.092 18.082 1.444 1.00 21.32 H new ATOM 0 HB2 MET A 1 5.443 17.657 2.179 1.00 61.44 H new ATOM 0 HB3 MET A 1 5.292 15.989 1.662 1.00 61.44 H new ATOM 0 HG2 MET A 1 4.957 16.724 -0.681 1.00 72.04 H new ATOM 0 HG3 MET A 1 5.041 18.402 -0.183 1.00 72.04 H new ATOM 0 HE1 MET A 1 8.791 18.942 0.709 1.00 45.21 H new ATOM 0 HE2 MET A 1 7.133 19.588 0.736 1.00 45.21 H new ATOM 0 HE3 MET A 1 7.644 18.398 1.957 1.00 45.21 H new ATOM 20 N ASP A 2 1.392 16.510 0.412 1.00 73.12 N ATOM 21 CA ASP A 2 0.453 15.728 -0.436 1.00 72.33 C ATOM 22 C ASP A 2 0.055 14.375 0.205 1.00 64.31 C ATOM 23 O ASP A 2 0.296 14.134 1.402 1.00 71.43 O ATOM 24 CB ASP A 2 1.021 15.533 -1.886 1.00 44.11 C ATOM 25 CG ASP A 2 0.939 16.792 -2.766 1.00 12.14 C ATOM 26 OD1 ASP A 2 1.630 17.794 -2.457 1.00 31.02 O ATOM 27 OD2 ASP A 2 0.179 16.783 -3.768 1.00 62.42 O ATOM 0 H ASP A 2 1.009 17.411 0.698 1.00 73.12 H new ATOM 0 HA ASP A 2 -0.463 16.315 -0.511 1.00 72.33 H new ATOM 0 HB2 ASP A 2 2.062 15.217 -1.818 1.00 44.11 H new ATOM 0 HB3 ASP A 2 0.475 14.726 -2.373 1.00 44.11 H new ATOM 32 N GLY A 3 -0.598 13.510 -0.595 1.00 72.25 N ATOM 33 CA GLY A 3 -1.049 12.223 -0.117 1.00 11.23 C ATOM 34 C GLY A 3 -1.380 11.272 -1.226 1.00 4.44 C ATOM 35 O GLY A 3 -0.734 10.244 -1.371 1.00 62.12 O ATOM 0 H GLY A 3 -0.817 13.695 -1.574 1.00 72.25 H new ATOM 0 HA2 GLY A 3 -0.275 11.784 0.513 1.00 11.23 H new ATOM 0 HA3 GLY A 3 -1.930 12.362 0.510 1.00 11.23 H new ATOM 39 N GLU A 4 -2.373 11.630 -2.039 1.00 74.03 N ATOM 40 CA GLU A 4 -2.867 10.763 -3.131 1.00 44.04 C ATOM 41 C GLU A 4 -1.834 10.554 -4.261 1.00 30.30 C ATOM 42 O GLU A 4 -2.029 9.694 -5.115 1.00 43.20 O ATOM 43 CB GLU A 4 -4.226 11.284 -3.660 1.00 20.10 C ATOM 44 CG GLU A 4 -5.343 11.264 -2.583 1.00 33.35 C ATOM 45 CD GLU A 4 -6.760 11.319 -3.170 1.00 42.10 C ATOM 46 OE1 GLU A 4 -7.270 12.428 -3.432 1.00 5.54 O ATOM 47 OE2 GLU A 4 -7.368 10.245 -3.390 1.00 60.22 O ATOM 0 H GLU A 4 -2.862 12.522 -1.968 1.00 74.03 H new ATOM 0 HA GLU A 4 -3.024 9.770 -2.709 1.00 44.04 H new ATOM 0 HB2 GLU A 4 -4.101 12.303 -4.027 1.00 20.10 H new ATOM 0 HB3 GLU A 4 -4.537 10.675 -4.509 1.00 20.10 H new ATOM 0 HG2 GLU A 4 -5.242 10.360 -1.983 1.00 33.35 H new ATOM 0 HG3 GLU A 4 -5.204 12.110 -1.911 1.00 33.35 H new ATOM 54 N GLU A 5 -0.751 11.350 -4.262 1.00 31.11 N ATOM 55 CA GLU A 5 0.417 11.128 -5.139 1.00 43.05 C ATOM 56 C GLU A 5 1.179 9.854 -4.730 1.00 33.43 C ATOM 57 O GLU A 5 1.649 9.120 -5.595 1.00 1.12 O ATOM 58 CB GLU A 5 1.373 12.350 -5.114 1.00 24.14 C ATOM 59 CG GLU A 5 2.662 12.162 -5.943 1.00 75.30 C ATOM 60 CD GLU A 5 3.616 13.360 -5.882 1.00 71.51 C ATOM 61 OE1 GLU A 5 4.003 13.767 -4.766 1.00 24.35 O ATOM 62 OE2 GLU A 5 4.008 13.881 -6.951 1.00 33.13 O ATOM 0 H GLU A 5 -0.658 12.165 -3.656 1.00 31.11 H new ATOM 0 HA GLU A 5 0.045 11.000 -6.155 1.00 43.05 H new ATOM 0 HB2 GLU A 5 0.838 13.223 -5.488 1.00 24.14 H new ATOM 0 HB3 GLU A 5 1.647 12.562 -4.080 1.00 24.14 H new ATOM 0 HG2 GLU A 5 3.185 11.274 -5.588 1.00 75.30 H new ATOM 0 HG3 GLU A 5 2.391 11.978 -6.983 1.00 75.30 H new ATOM 69 N VAL A 6 1.280 9.572 -3.410 1.00 23.45 N ATOM 70 CA VAL A 6 2.028 8.384 -2.931 1.00 1.23 C ATOM 71 C VAL A 6 1.347 7.101 -3.413 1.00 21.03 C ATOM 72 O VAL A 6 1.996 6.082 -3.549 1.00 2.43 O ATOM 73 CB VAL A 6 2.256 8.339 -1.372 1.00 4.42 C ATOM 74 CG1 VAL A 6 2.795 9.686 -0.844 1.00 31.54 C ATOM 75 CG2 VAL A 6 1.007 7.870 -0.574 1.00 24.23 C ATOM 0 H VAL A 6 0.863 10.137 -2.670 1.00 23.45 H new ATOM 0 HA VAL A 6 3.024 8.466 -3.366 1.00 1.23 H new ATOM 0 HB VAL A 6 3.017 7.577 -1.202 1.00 4.42 H new ATOM 0 HG11 VAL A 6 2.941 9.622 0.234 1.00 31.54 H new ATOM 0 HG12 VAL A 6 3.746 9.912 -1.327 1.00 31.54 H new ATOM 0 HG13 VAL A 6 2.079 10.477 -1.066 1.00 31.54 H new ATOM 0 HG21 VAL A 6 1.237 7.864 0.491 1.00 24.23 H new ATOM 0 HG22 VAL A 6 0.178 8.552 -0.762 1.00 24.23 H new ATOM 0 HG23 VAL A 6 0.729 6.865 -0.891 1.00 24.23 H new ATOM 85 N LYS A 7 0.040 7.207 -3.705 1.00 0.20 N ATOM 86 CA LYS A 7 -0.762 6.104 -4.238 1.00 51.53 C ATOM 87 C LYS A 7 -0.195 5.534 -5.562 1.00 31.50 C ATOM 88 O LYS A 7 0.038 4.325 -5.653 1.00 71.42 O ATOM 89 CB LYS A 7 -2.232 6.551 -4.409 1.00 75.15 C ATOM 90 CG LYS A 7 -2.967 6.873 -3.088 1.00 31.13 C ATOM 91 CD LYS A 7 -4.505 6.870 -3.248 1.00 71.52 C ATOM 92 CE LYS A 7 -5.014 7.691 -4.444 1.00 44.32 C ATOM 93 NZ LYS A 7 -6.500 7.727 -4.492 1.00 12.24 N ATOM 0 H LYS A 7 -0.489 8.069 -3.575 1.00 0.20 H new ATOM 0 HA LYS A 7 -0.717 5.291 -3.513 1.00 51.53 H new ATOM 0 HB2 LYS A 7 -2.257 7.434 -5.047 1.00 75.15 H new ATOM 0 HB3 LYS A 7 -2.778 5.765 -4.931 1.00 75.15 H new ATOM 0 HG2 LYS A 7 -2.683 6.142 -2.331 1.00 31.13 H new ATOM 0 HG3 LYS A 7 -2.645 7.849 -2.726 1.00 31.13 H new ATOM 0 HD2 LYS A 7 -4.846 5.840 -3.356 1.00 71.52 H new ATOM 0 HD3 LYS A 7 -4.955 7.260 -2.335 1.00 71.52 H new ATOM 0 HE2 LYS A 7 -4.627 8.708 -4.379 1.00 44.32 H new ATOM 0 HE3 LYS A 7 -4.630 7.263 -5.370 1.00 44.32 H new ATOM 0 HZ1 LYS A 7 -6.811 7.946 -5.460 1.00 12.24 H new ATOM 0 HZ2 LYS A 7 -6.879 6.801 -4.208 1.00 12.24 H new ATOM 0 HZ3 LYS A 7 -6.851 8.459 -3.842 1.00 12.24 H new ATOM 107 N GLU A 8 0.028 6.399 -6.581 1.00 10.50 N ATOM 108 CA GLU A 8 0.611 5.964 -7.885 1.00 71.23 C ATOM 109 C GLU A 8 2.041 5.417 -7.681 1.00 20.15 C ATOM 110 O GLU A 8 2.499 4.523 -8.406 1.00 4.20 O ATOM 111 CB GLU A 8 0.610 7.123 -8.923 1.00 54.24 C ATOM 112 CG GLU A 8 1.511 8.326 -8.563 1.00 51.32 C ATOM 113 CD GLU A 8 1.453 9.482 -9.575 1.00 50.54 C ATOM 114 OE1 GLU A 8 0.529 10.323 -9.480 1.00 1.11 O ATOM 115 OE2 GLU A 8 2.309 9.548 -10.487 1.00 50.44 O ATOM 0 H GLU A 8 -0.183 7.396 -6.532 1.00 10.50 H new ATOM 0 HA GLU A 8 -0.015 5.165 -8.281 1.00 71.23 H new ATOM 0 HB2 GLU A 8 0.928 6.727 -9.887 1.00 54.24 H new ATOM 0 HB3 GLU A 8 -0.413 7.479 -9.046 1.00 54.24 H new ATOM 0 HG2 GLU A 8 1.221 8.702 -7.582 1.00 51.32 H new ATOM 0 HG3 GLU A 8 2.542 7.982 -8.480 1.00 51.32 H new ATOM 122 N LYS A 9 2.711 5.963 -6.654 1.00 42.41 N ATOM 123 CA LYS A 9 4.069 5.575 -6.255 1.00 34.15 C ATOM 124 C LYS A 9 4.089 4.180 -5.594 1.00 13.15 C ATOM 125 O LYS A 9 5.071 3.447 -5.725 1.00 72.13 O ATOM 126 CB LYS A 9 4.643 6.655 -5.306 1.00 41.22 C ATOM 127 CG LYS A 9 4.814 8.037 -5.973 1.00 75.00 C ATOM 128 CD LYS A 9 5.092 9.182 -4.973 1.00 54.14 C ATOM 129 CE LYS A 9 6.232 8.891 -3.984 1.00 22.02 C ATOM 130 NZ LYS A 9 6.538 10.057 -3.112 1.00 53.32 N ATOM 0 H LYS A 9 2.316 6.699 -6.069 1.00 42.41 H new ATOM 0 HA LYS A 9 4.695 5.507 -7.145 1.00 34.15 H new ATOM 0 HB2 LYS A 9 3.984 6.756 -4.444 1.00 41.22 H new ATOM 0 HB3 LYS A 9 5.610 6.320 -4.931 1.00 41.22 H new ATOM 0 HG2 LYS A 9 5.634 7.985 -6.689 1.00 75.00 H new ATOM 0 HG3 LYS A 9 3.912 8.272 -6.538 1.00 75.00 H new ATOM 0 HD2 LYS A 9 5.332 10.087 -5.531 1.00 54.14 H new ATOM 0 HD3 LYS A 9 4.181 9.387 -4.410 1.00 54.14 H new ATOM 0 HE2 LYS A 9 5.961 8.037 -3.363 1.00 22.02 H new ATOM 0 HE3 LYS A 9 7.128 8.610 -4.538 1.00 22.02 H new ATOM 0 HZ1 LYS A 9 7.406 9.868 -2.572 1.00 53.32 H new ATOM 0 HZ2 LYS A 9 6.674 10.904 -3.700 1.00 53.32 H new ATOM 0 HZ3 LYS A 9 5.748 10.215 -2.454 1.00 53.32 H new ATOM 144 N ILE A 10 2.997 3.825 -4.882 1.00 0.24 N ATOM 145 CA ILE A 10 2.844 2.495 -4.257 1.00 51.15 C ATOM 146 C ILE A 10 2.449 1.462 -5.321 1.00 20.41 C ATOM 147 O ILE A 10 2.921 0.333 -5.272 1.00 21.22 O ATOM 148 CB ILE A 10 1.789 2.499 -3.081 1.00 1.23 C ATOM 149 CG1 ILE A 10 2.201 3.485 -1.939 1.00 21.45 C ATOM 150 CG2 ILE A 10 1.545 1.082 -2.498 1.00 73.40 C ATOM 151 CD1 ILE A 10 3.603 3.283 -1.372 1.00 24.13 C ATOM 0 H ILE A 10 2.204 4.447 -4.726 1.00 0.24 H new ATOM 0 HA ILE A 10 3.806 2.226 -3.821 1.00 51.15 H new ATOM 0 HB ILE A 10 0.852 2.844 -3.519 1.00 1.23 H new ATOM 0 HG12 ILE A 10 2.124 4.504 -2.317 1.00 21.45 H new ATOM 0 HG13 ILE A 10 1.482 3.392 -1.125 1.00 21.45 H new ATOM 0 HG21 ILE A 10 0.812 1.141 -1.693 1.00 73.40 H new ATOM 0 HG22 ILE A 10 1.170 0.425 -3.283 1.00 73.40 H new ATOM 0 HG23 ILE A 10 2.481 0.683 -2.108 1.00 73.40 H new ATOM 0 HD11 ILE A 10 3.788 4.017 -0.588 1.00 24.13 H new ATOM 0 HD12 ILE A 10 3.686 2.279 -0.956 1.00 24.13 H new ATOM 0 HD13 ILE A 10 4.338 3.409 -2.167 1.00 24.13 H new ATOM 163 N ARG A 11 1.622 1.884 -6.311 1.00 63.21 N ATOM 164 CA ARG A 11 1.214 1.018 -7.454 1.00 11.22 C ATOM 165 C ARG A 11 2.458 0.505 -8.174 1.00 61.44 C ATOM 166 O ARG A 11 2.564 -0.676 -8.505 1.00 4.04 O ATOM 167 CB ARG A 11 0.309 1.791 -8.466 1.00 73.20 C ATOM 168 CG ARG A 11 -1.070 2.195 -7.927 1.00 30.24 C ATOM 169 CD ARG A 11 -1.889 3.070 -8.908 1.00 22.31 C ATOM 170 NE ARG A 11 -2.276 2.373 -10.160 1.00 35.02 N ATOM 171 CZ ARG A 11 -3.226 2.803 -11.021 1.00 33.05 C ATOM 172 NH1 ARG A 11 -3.910 3.925 -10.786 1.00 30.21 N ATOM 173 NH2 ARG A 11 -3.491 2.096 -12.116 1.00 65.01 N ATOM 0 H ARG A 11 1.222 2.822 -6.343 1.00 63.21 H new ATOM 0 HA ARG A 11 0.638 0.183 -7.055 1.00 11.22 H new ATOM 0 HB2 ARG A 11 0.835 2.690 -8.787 1.00 73.20 H new ATOM 0 HB3 ARG A 11 0.169 1.171 -9.352 1.00 73.20 H new ATOM 0 HG2 ARG A 11 -1.638 1.294 -7.696 1.00 30.24 H new ATOM 0 HG3 ARG A 11 -0.940 2.738 -6.991 1.00 30.24 H new ATOM 0 HD2 ARG A 11 -2.791 3.416 -8.403 1.00 22.31 H new ATOM 0 HD3 ARG A 11 -1.306 3.955 -9.162 1.00 22.31 H new ATOM 0 HE ARG A 11 -1.790 1.506 -10.388 1.00 35.02 H new ATOM 0 HH11 ARG A 11 -3.719 4.472 -9.947 1.00 30.21 H new ATOM 0 HH12 ARG A 11 -4.623 4.235 -11.446 1.00 30.21 H new ATOM 0 HH21 ARG A 11 -2.979 1.234 -12.303 1.00 65.01 H new ATOM 0 HH22 ARG A 11 -4.207 2.416 -12.769 1.00 65.01 H new ATOM 187 N ARG A 12 3.402 1.428 -8.367 1.00 23.30 N ATOM 188 CA ARG A 12 4.672 1.153 -9.027 1.00 72.24 C ATOM 189 C ARG A 12 5.623 0.369 -8.135 1.00 1.22 C ATOM 190 O ARG A 12 6.166 -0.618 -8.572 1.00 70.42 O ATOM 191 CB ARG A 12 5.310 2.469 -9.524 1.00 74.03 C ATOM 192 CG ARG A 12 4.581 3.074 -10.752 1.00 12.14 C ATOM 193 CD ARG A 12 4.351 2.026 -11.868 1.00 61.43 C ATOM 194 NE ARG A 12 3.678 2.560 -13.067 1.00 72.33 N ATOM 195 CZ ARG A 12 3.639 1.940 -14.253 1.00 63.14 C ATOM 196 NH1 ARG A 12 4.242 0.767 -14.437 1.00 41.34 N ATOM 197 NH2 ARG A 12 2.952 2.481 -15.254 1.00 63.44 N ATOM 0 H ARG A 12 3.302 2.397 -8.065 1.00 23.30 H new ATOM 0 HA ARG A 12 4.471 0.520 -9.891 1.00 72.24 H new ATOM 0 HB2 ARG A 12 5.306 3.197 -8.712 1.00 74.03 H new ATOM 0 HB3 ARG A 12 6.353 2.285 -9.783 1.00 74.03 H new ATOM 0 HG2 ARG A 12 3.621 3.484 -10.437 1.00 12.14 H new ATOM 0 HG3 ARG A 12 5.167 3.903 -11.149 1.00 12.14 H new ATOM 0 HD2 ARG A 12 5.313 1.606 -12.161 1.00 61.43 H new ATOM 0 HD3 ARG A 12 3.756 1.207 -11.465 1.00 61.43 H new ATOM 0 HE ARG A 12 3.211 3.463 -12.987 1.00 72.33 H new ATOM 0 HH11 ARG A 12 4.745 0.326 -13.667 1.00 41.34 H new ATOM 0 HH12 ARG A 12 4.201 0.310 -15.348 1.00 41.34 H new ATOM 0 HH21 ARG A 12 2.459 3.363 -15.116 1.00 63.44 H new ATOM 0 HH22 ARG A 12 2.918 2.014 -16.160 1.00 63.44 H new ATOM 211 N TYR A 13 5.787 0.791 -6.877 1.00 21.10 N ATOM 212 CA TYR A 13 6.655 0.075 -5.911 1.00 2.13 C ATOM 213 C TYR A 13 6.286 -1.428 -5.823 1.00 65.23 C ATOM 214 O TYR A 13 7.172 -2.286 -5.780 1.00 35.40 O ATOM 215 CB TYR A 13 6.596 0.749 -4.517 1.00 11.55 C ATOM 216 CG TYR A 13 7.289 -0.058 -3.391 1.00 21.04 C ATOM 217 CD1 TYR A 13 8.660 -0.347 -3.456 1.00 25.34 C ATOM 218 CD2 TYR A 13 6.580 -0.546 -2.288 1.00 14.11 C ATOM 219 CE1 TYR A 13 9.287 -1.083 -2.476 1.00 63.31 C ATOM 220 CE2 TYR A 13 7.209 -1.280 -1.301 1.00 74.12 C ATOM 221 CZ TYR A 13 8.562 -1.544 -1.401 1.00 22.31 C ATOM 222 OH TYR A 13 9.194 -2.279 -0.430 1.00 74.43 O ATOM 0 H TYR A 13 5.335 1.622 -6.496 1.00 21.10 H new ATOM 0 HA TYR A 13 7.681 0.137 -6.274 1.00 2.13 H new ATOM 0 HB2 TYR A 13 7.060 1.733 -4.582 1.00 11.55 H new ATOM 0 HB3 TYR A 13 5.552 0.906 -4.246 1.00 11.55 H new ATOM 0 HD1 TYR A 13 9.237 0.016 -4.294 1.00 25.34 H new ATOM 0 HD2 TYR A 13 5.522 -0.345 -2.207 1.00 14.11 H new ATOM 0 HE1 TYR A 13 10.343 -1.298 -2.550 1.00 63.31 H new ATOM 0 HE2 TYR A 13 6.646 -1.646 -0.455 1.00 74.12 H new ATOM 0 HH TYR A 13 8.858 -2.014 0.452 1.00 74.43 H new ATOM 232 N ILE A 14 4.977 -1.717 -5.830 1.00 65.31 N ATOM 233 CA ILE A 14 4.455 -3.085 -5.830 1.00 54.01 C ATOM 234 C ILE A 14 4.864 -3.810 -7.134 1.00 20.55 C ATOM 235 O ILE A 14 5.571 -4.808 -7.078 1.00 32.13 O ATOM 236 CB ILE A 14 2.894 -3.104 -5.618 1.00 64.44 C ATOM 237 CG1 ILE A 14 2.515 -2.538 -4.206 1.00 62.10 C ATOM 238 CG2 ILE A 14 2.324 -4.527 -5.794 1.00 20.34 C ATOM 239 CD1 ILE A 14 1.021 -2.399 -3.959 1.00 34.01 C ATOM 0 H ILE A 14 4.249 -1.002 -5.836 1.00 65.31 H new ATOM 0 HA ILE A 14 4.894 -3.623 -4.990 1.00 54.01 H new ATOM 0 HB ILE A 14 2.451 -2.463 -6.380 1.00 64.44 H new ATOM 0 HG12 ILE A 14 2.937 -3.191 -3.442 1.00 62.10 H new ATOM 0 HG13 ILE A 14 2.983 -1.561 -4.083 1.00 62.10 H new ATOM 0 HG21 ILE A 14 1.245 -4.508 -5.642 1.00 20.34 H new ATOM 0 HG22 ILE A 14 2.542 -4.884 -6.800 1.00 20.34 H new ATOM 0 HG23 ILE A 14 2.782 -5.195 -5.064 1.00 20.34 H new ATOM 0 HD11 ILE A 14 0.853 -2.001 -2.958 1.00 34.01 H new ATOM 0 HD12 ILE A 14 0.592 -1.721 -4.696 1.00 34.01 H new ATOM 0 HD13 ILE A 14 0.546 -3.376 -4.045 1.00 34.01 H new ATOM 251 N MET A 15 4.474 -3.263 -8.299 1.00 21.40 N ATOM 252 CA MET A 15 4.700 -3.939 -9.604 1.00 4.12 C ATOM 253 C MET A 15 6.197 -4.040 -9.949 1.00 13.10 C ATOM 254 O MET A 15 6.718 -5.142 -10.149 1.00 64.13 O ATOM 255 CB MET A 15 3.912 -3.222 -10.731 1.00 22.21 C ATOM 256 CG MET A 15 2.406 -3.197 -10.483 1.00 31.42 C ATOM 257 SD MET A 15 1.762 -4.797 -9.919 1.00 21.30 S ATOM 258 CE MET A 15 1.380 -5.632 -11.439 1.00 14.31 C ATOM 0 H MET A 15 4.003 -2.361 -8.371 1.00 21.40 H new ATOM 0 HA MET A 15 4.326 -4.959 -9.516 1.00 4.12 H new ATOM 0 HB2 MET A 15 4.276 -2.199 -10.827 1.00 22.21 H new ATOM 0 HB3 MET A 15 4.110 -3.721 -11.680 1.00 22.21 H new ATOM 0 HG2 MET A 15 2.177 -2.435 -9.738 1.00 31.42 H new ATOM 0 HG3 MET A 15 1.895 -2.908 -11.402 1.00 31.42 H new ATOM 0 HE1 MET A 15 1.582 -6.698 -11.329 1.00 14.31 H new ATOM 0 HE2 MET A 15 0.327 -5.485 -11.680 1.00 14.31 H new ATOM 0 HE3 MET A 15 1.996 -5.227 -12.242 1.00 14.31 H new ATOM 268 N GLU A 16 6.870 -2.889 -9.986 1.00 70.25 N ATOM 269 CA GLU A 16 8.289 -2.779 -10.384 1.00 1.20 C ATOM 270 C GLU A 16 9.230 -3.615 -9.489 1.00 11.33 C ATOM 271 O GLU A 16 10.202 -4.187 -9.986 1.00 64.13 O ATOM 272 CB GLU A 16 8.754 -1.297 -10.380 1.00 61.02 C ATOM 273 CG GLU A 16 7.859 -0.302 -11.168 1.00 65.44 C ATOM 274 CD GLU A 16 7.361 -0.805 -12.542 1.00 21.15 C ATOM 275 OE1 GLU A 16 8.201 -0.997 -13.449 1.00 22.41 O ATOM 276 OE2 GLU A 16 6.127 -0.965 -12.736 1.00 12.31 O ATOM 0 H GLU A 16 6.448 -1.994 -9.740 1.00 70.25 H new ATOM 0 HA GLU A 16 8.350 -3.181 -11.395 1.00 1.20 H new ATOM 0 HB2 GLU A 16 8.816 -0.959 -9.346 1.00 61.02 H new ATOM 0 HB3 GLU A 16 9.763 -1.252 -10.791 1.00 61.02 H new ATOM 0 HG2 GLU A 16 6.993 -0.055 -10.555 1.00 65.44 H new ATOM 0 HG3 GLU A 16 8.417 0.622 -11.319 1.00 65.44 H new ATOM 283 N ASP A 17 8.946 -3.670 -8.168 1.00 34.32 N ATOM 284 CA ASP A 17 9.837 -4.332 -7.177 1.00 4.41 C ATOM 285 C ASP A 17 9.249 -5.664 -6.674 1.00 54.44 C ATOM 286 O ASP A 17 9.845 -6.721 -6.906 1.00 60.43 O ATOM 287 CB ASP A 17 10.135 -3.387 -5.984 1.00 33.33 C ATOM 288 CG ASP A 17 10.786 -2.060 -6.414 1.00 14.45 C ATOM 289 OD1 ASP A 17 10.061 -1.078 -6.703 1.00 50.32 O ATOM 290 OD2 ASP A 17 12.034 -2.000 -6.480 1.00 65.41 O ATOM 0 H ASP A 17 8.105 -3.264 -7.759 1.00 34.32 H new ATOM 0 HA ASP A 17 10.773 -4.557 -7.688 1.00 4.41 H new ATOM 0 HB2 ASP A 17 9.206 -3.175 -5.455 1.00 33.33 H new ATOM 0 HB3 ASP A 17 10.793 -3.896 -5.280 1.00 33.33 H new ATOM 295 N LEU A 18 8.075 -5.607 -5.992 1.00 13.13 N ATOM 296 CA LEU A 18 7.454 -6.799 -5.330 1.00 23.01 C ATOM 297 C LEU A 18 7.117 -7.916 -6.347 1.00 13.21 C ATOM 298 O LEU A 18 7.334 -9.101 -6.061 1.00 31.03 O ATOM 299 CB LEU A 18 6.195 -6.408 -4.483 1.00 12.54 C ATOM 300 CG LEU A 18 6.456 -5.678 -3.111 1.00 2.32 C ATOM 301 CD1 LEU A 18 7.311 -6.538 -2.152 1.00 35.54 C ATOM 302 CD2 LEU A 18 7.090 -4.281 -3.284 1.00 33.13 C ATOM 0 H LEU A 18 7.534 -4.749 -5.883 1.00 13.13 H new ATOM 0 HA LEU A 18 8.201 -7.197 -4.643 1.00 23.01 H new ATOM 0 HB2 LEU A 18 5.562 -5.765 -5.094 1.00 12.54 H new ATOM 0 HB3 LEU A 18 5.627 -7.316 -4.281 1.00 12.54 H new ATOM 0 HG LEU A 18 5.472 -5.537 -2.664 1.00 2.32 H new ATOM 0 HD11 LEU A 18 7.467 -5.997 -1.219 1.00 35.54 H new ATOM 0 HD12 LEU A 18 6.795 -7.476 -1.946 1.00 35.54 H new ATOM 0 HD13 LEU A 18 8.275 -6.749 -2.614 1.00 35.54 H new ATOM 0 HD21 LEU A 18 7.246 -3.828 -2.305 1.00 33.13 H new ATOM 0 HD22 LEU A 18 8.048 -4.377 -3.796 1.00 33.13 H new ATOM 0 HD23 LEU A 18 6.425 -3.650 -3.874 1.00 33.13 H new ATOM 314 N ILE A 19 6.583 -7.535 -7.521 1.00 50.34 N ATOM 315 CA ILE A 19 6.399 -8.475 -8.651 1.00 1.44 C ATOM 316 C ILE A 19 7.746 -8.614 -9.398 1.00 55.50 C ATOM 317 O ILE A 19 8.212 -9.728 -9.672 1.00 43.24 O ATOM 318 CB ILE A 19 5.255 -8.040 -9.672 1.00 51.13 C ATOM 319 CG1 ILE A 19 3.813 -8.092 -9.057 1.00 21.03 C ATOM 320 CG2 ILE A 19 5.285 -8.931 -10.937 1.00 72.24 C ATOM 321 CD1 ILE A 19 3.529 -7.169 -7.903 1.00 13.41 C ATOM 0 H ILE A 19 6.270 -6.584 -7.716 1.00 50.34 H new ATOM 0 HA ILE A 19 6.076 -9.427 -8.231 1.00 1.44 H new ATOM 0 HB ILE A 19 5.470 -7.002 -9.925 1.00 51.13 H new ATOM 0 HG12 ILE A 19 3.098 -7.873 -9.850 1.00 21.03 H new ATOM 0 HG13 ILE A 19 3.621 -9.114 -8.729 1.00 21.03 H new ATOM 0 HG21 ILE A 19 4.496 -8.618 -11.621 1.00 72.24 H new ATOM 0 HG22 ILE A 19 6.253 -8.832 -11.429 1.00 72.24 H new ATOM 0 HG23 ILE A 19 5.127 -9.971 -10.653 1.00 72.24 H new ATOM 0 HD11 ILE A 19 2.499 -7.305 -7.573 1.00 13.41 H new ATOM 0 HD12 ILE A 19 4.207 -7.396 -7.080 1.00 13.41 H new ATOM 0 HD13 ILE A 19 3.675 -6.136 -8.219 1.00 13.41 H new ATOM 333 N GLY A 20 8.372 -7.462 -9.697 1.00 34.25 N ATOM 334 CA GLY A 20 9.670 -7.405 -10.393 1.00 33.44 C ATOM 335 C GLY A 20 9.542 -6.947 -11.850 1.00 3.04 C ATOM 336 O GLY A 20 8.561 -6.281 -12.201 1.00 61.23 O ATOM 0 H GLY A 20 7.993 -6.545 -9.463 1.00 34.25 H new ATOM 0 HA2 GLY A 20 10.334 -6.724 -9.860 1.00 33.44 H new ATOM 0 HA3 GLY A 20 10.135 -8.390 -10.366 1.00 33.44 H new ATOM 340 N PRO A 21 10.533 -7.306 -12.733 1.00 21.53 N ATOM 341 CA PRO A 21 10.537 -6.924 -14.180 1.00 34.34 C ATOM 342 C PRO A 21 9.463 -7.652 -15.039 1.00 51.22 C ATOM 343 O PRO A 21 9.386 -7.434 -16.255 1.00 20.24 O ATOM 344 CB PRO A 21 11.973 -7.314 -14.636 1.00 44.23 C ATOM 345 CG PRO A 21 12.373 -8.427 -13.727 1.00 74.23 C ATOM 346 CD PRO A 21 11.760 -8.092 -12.382 1.00 1.41 C ATOM 0 HA PRO A 21 10.288 -5.871 -14.312 1.00 34.34 H new ATOM 0 HB2 PRO A 21 11.984 -7.632 -15.679 1.00 44.23 H new ATOM 0 HB3 PRO A 21 12.657 -6.470 -14.552 1.00 44.23 H new ATOM 0 HG2 PRO A 21 12.009 -9.386 -14.096 1.00 74.23 H new ATOM 0 HG3 PRO A 21 13.458 -8.505 -13.655 1.00 74.23 H new ATOM 0 HD2 PRO A 21 11.511 -8.993 -11.821 1.00 1.41 H new ATOM 0 HD3 PRO A 21 12.444 -7.510 -11.764 1.00 1.41 H new ATOM 354 N SER A 22 8.651 -8.516 -14.410 1.00 1.23 N ATOM 355 CA SER A 22 7.574 -9.264 -15.086 1.00 34.32 C ATOM 356 C SER A 22 6.205 -8.797 -14.559 1.00 4.12 C ATOM 357 O SER A 22 5.297 -9.604 -14.321 1.00 43.25 O ATOM 358 CB SER A 22 7.808 -10.778 -14.857 1.00 52.45 C ATOM 359 OG SER A 22 9.086 -11.163 -15.343 1.00 51.33 O ATOM 0 H SER A 22 8.722 -8.718 -13.413 1.00 1.23 H new ATOM 0 HA SER A 22 7.583 -9.075 -16.159 1.00 34.32 H new ATOM 0 HB2 SER A 22 7.733 -11.007 -13.794 1.00 52.45 H new ATOM 0 HB3 SER A 22 7.032 -11.353 -15.363 1.00 52.45 H new ATOM 0 HG SER A 22 9.219 -12.122 -15.189 1.00 51.33 H new ATOM 365 N ALA A 23 6.064 -7.476 -14.402 1.00 5.13 N ATOM 366 CA ALA A 23 4.869 -6.853 -13.818 1.00 35.42 C ATOM 367 C ALA A 23 3.814 -6.515 -14.877 1.00 5.54 C ATOM 368 O ALA A 23 4.114 -5.834 -15.865 1.00 11.21 O ATOM 369 CB ALA A 23 5.282 -5.603 -13.058 1.00 25.13 C ATOM 0 H ALA A 23 6.780 -6.804 -14.678 1.00 5.13 H new ATOM 0 HA ALA A 23 4.410 -7.569 -13.137 1.00 35.42 H new ATOM 0 HB1 ALA A 23 4.400 -5.135 -12.621 1.00 25.13 H new ATOM 0 HB2 ALA A 23 5.980 -5.873 -12.265 1.00 25.13 H new ATOM 0 HB3 ALA A 23 5.763 -4.904 -13.742 1.00 25.13 H new ATOM 375 N LYS A 24 2.577 -6.998 -14.663 1.00 12.43 N ATOM 376 CA LYS A 24 1.423 -6.701 -15.522 1.00 22.33 C ATOM 377 C LYS A 24 0.664 -5.501 -14.937 1.00 13.34 C ATOM 378 O LYS A 24 -0.415 -5.642 -14.343 1.00 71.02 O ATOM 379 CB LYS A 24 0.523 -7.955 -15.680 1.00 60.23 C ATOM 380 CG LYS A 24 1.266 -9.176 -16.274 1.00 65.32 C ATOM 381 CD LYS A 24 0.345 -10.394 -16.493 1.00 44.41 C ATOM 382 CE LYS A 24 1.090 -11.632 -17.037 1.00 53.41 C ATOM 383 NZ LYS A 24 0.186 -12.796 -17.261 1.00 3.51 N ATOM 0 H LYS A 24 2.351 -7.612 -13.880 1.00 12.43 H new ATOM 0 HA LYS A 24 1.758 -6.435 -16.525 1.00 22.33 H new ATOM 0 HB2 LYS A 24 0.116 -8.226 -14.706 1.00 60.23 H new ATOM 0 HB3 LYS A 24 -0.323 -7.707 -16.321 1.00 60.23 H new ATOM 0 HG2 LYS A 24 1.717 -8.893 -17.225 1.00 65.32 H new ATOM 0 HG3 LYS A 24 2.080 -9.459 -15.607 1.00 65.32 H new ATOM 0 HD2 LYS A 24 -0.135 -10.653 -15.549 1.00 44.41 H new ATOM 0 HD3 LYS A 24 -0.448 -10.121 -17.189 1.00 44.41 H new ATOM 0 HE2 LYS A 24 1.580 -11.372 -17.975 1.00 53.41 H new ATOM 0 HE3 LYS A 24 1.874 -11.916 -16.335 1.00 53.41 H new ATOM 0 HZ1 LYS A 24 0.737 -13.599 -17.626 1.00 3.51 H new ATOM 0 HZ2 LYS A 24 -0.263 -13.065 -16.362 1.00 3.51 H new ATOM 0 HZ3 LYS A 24 -0.548 -12.538 -17.951 1.00 3.51 H new ATOM 397 N GLU A 25 1.306 -4.323 -15.064 1.00 71.54 N ATOM 398 CA GLU A 25 0.804 -3.017 -14.568 1.00 14.43 C ATOM 399 C GLU A 25 -0.628 -2.699 -15.050 1.00 25.10 C ATOM 400 O GLU A 25 -1.377 -1.987 -14.368 1.00 54.23 O ATOM 401 CB GLU A 25 1.768 -1.890 -15.020 1.00 63.55 C ATOM 402 CG GLU A 25 1.956 -1.795 -16.552 1.00 43.01 C ATOM 403 CD GLU A 25 2.878 -0.653 -17.001 1.00 11.11 C ATOM 404 OE1 GLU A 25 4.116 -0.819 -16.952 1.00 0.11 O ATOM 405 OE2 GLU A 25 2.373 0.435 -17.369 1.00 44.22 O ATOM 0 H GLU A 25 2.212 -4.247 -15.526 1.00 71.54 H new ATOM 0 HA GLU A 25 0.766 -3.079 -13.480 1.00 14.43 H new ATOM 0 HB2 GLU A 25 1.392 -0.936 -14.651 1.00 63.55 H new ATOM 0 HB3 GLU A 25 2.741 -2.051 -14.555 1.00 63.55 H new ATOM 0 HG2 GLU A 25 2.361 -2.739 -16.917 1.00 43.01 H new ATOM 0 HG3 GLU A 25 0.980 -1.665 -17.020 1.00 43.01 H new ATOM 412 N ASP A 26 -0.974 -3.239 -16.232 1.00 25.31 N ATOM 413 CA ASP A 26 -2.286 -3.073 -16.863 1.00 75.12 C ATOM 414 C ASP A 26 -3.417 -3.589 -15.946 1.00 51.05 C ATOM 415 O ASP A 26 -4.478 -2.969 -15.838 1.00 73.42 O ATOM 416 CB ASP A 26 -2.302 -3.823 -18.230 1.00 3.43 C ATOM 417 CG ASP A 26 -3.676 -3.813 -18.924 1.00 31.10 C ATOM 418 OD1 ASP A 26 -4.165 -2.711 -19.273 1.00 31.04 O ATOM 419 OD2 ASP A 26 -4.298 -4.894 -19.085 1.00 62.52 O ATOM 0 H ASP A 26 -0.335 -3.813 -16.782 1.00 25.31 H new ATOM 0 HA ASP A 26 -2.461 -2.010 -17.032 1.00 75.12 H new ATOM 0 HB2 ASP A 26 -1.566 -3.368 -18.893 1.00 3.43 H new ATOM 0 HB3 ASP A 26 -1.992 -4.856 -18.072 1.00 3.43 H new ATOM 424 N GLU A 27 -3.146 -4.719 -15.277 1.00 71.53 N ATOM 425 CA GLU A 27 -4.125 -5.407 -14.418 1.00 31.32 C ATOM 426 C GLU A 27 -4.255 -4.727 -13.049 1.00 43.24 C ATOM 427 O GLU A 27 -5.303 -4.836 -12.399 1.00 61.12 O ATOM 428 CB GLU A 27 -3.749 -6.899 -14.257 1.00 45.44 C ATOM 429 CG GLU A 27 -3.638 -7.668 -15.583 1.00 62.04 C ATOM 430 CD GLU A 27 -3.548 -9.190 -15.381 1.00 70.43 C ATOM 431 OE1 GLU A 27 -2.494 -9.675 -14.915 1.00 71.52 O ATOM 432 OE2 GLU A 27 -4.541 -9.901 -15.651 1.00 60.54 O ATOM 0 H GLU A 27 -2.239 -5.184 -15.316 1.00 71.53 H new ATOM 0 HA GLU A 27 -5.097 -5.343 -14.906 1.00 31.32 H new ATOM 0 HB2 GLU A 27 -2.797 -6.967 -13.730 1.00 45.44 H new ATOM 0 HB3 GLU A 27 -4.497 -7.385 -13.630 1.00 45.44 H new ATOM 0 HG2 GLU A 27 -4.503 -7.439 -16.205 1.00 62.04 H new ATOM 0 HG3 GLU A 27 -2.757 -7.325 -16.125 1.00 62.04 H new ATOM 439 N LEU A 28 -3.189 -4.040 -12.596 1.00 24.13 N ATOM 440 CA LEU A 28 -3.243 -3.278 -11.348 1.00 62.14 C ATOM 441 C LEU A 28 -3.916 -1.912 -11.610 1.00 23.11 C ATOM 442 O LEU A 28 -3.634 -1.240 -12.605 1.00 3.52 O ATOM 443 CB LEU A 28 -1.817 -3.116 -10.724 1.00 51.40 C ATOM 444 CG LEU A 28 -1.764 -2.626 -9.224 1.00 10.10 C ATOM 445 CD1 LEU A 28 -0.475 -3.057 -8.518 1.00 12.12 C ATOM 446 CD2 LEU A 28 -1.913 -1.099 -9.099 1.00 51.23 C ATOM 0 H LEU A 28 -2.290 -4.001 -13.076 1.00 24.13 H new ATOM 0 HA LEU A 28 -3.842 -3.824 -10.619 1.00 62.14 H new ATOM 0 HB2 LEU A 28 -1.303 -4.075 -10.789 1.00 51.40 H new ATOM 0 HB3 LEU A 28 -1.254 -2.411 -11.335 1.00 51.40 H new ATOM 0 HG LEU A 28 -2.614 -3.104 -8.737 1.00 10.10 H new ATOM 0 HD11 LEU A 28 -0.485 -2.696 -7.489 1.00 12.12 H new ATOM 0 HD12 LEU A 28 -0.405 -4.145 -8.521 1.00 12.12 H new ATOM 0 HD13 LEU A 28 0.384 -2.637 -9.041 1.00 12.12 H new ATOM 0 HD21 LEU A 28 -1.870 -0.814 -8.048 1.00 51.23 H new ATOM 0 HD22 LEU A 28 -1.104 -0.609 -9.641 1.00 51.23 H new ATOM 0 HD23 LEU A 28 -2.870 -0.791 -9.519 1.00 51.23 H new ATOM 458 N ASP A 29 -4.799 -1.538 -10.688 1.00 72.11 N ATOM 459 CA ASP A 29 -5.433 -0.212 -10.611 1.00 75.42 C ATOM 460 C ASP A 29 -5.481 0.197 -9.139 1.00 73.01 C ATOM 461 O ASP A 29 -5.228 -0.637 -8.249 1.00 13.52 O ATOM 462 CB ASP A 29 -6.865 -0.243 -11.209 1.00 52.12 C ATOM 463 CG ASP A 29 -7.522 1.143 -11.354 1.00 53.52 C ATOM 464 OD1 ASP A 29 -7.085 1.927 -12.227 1.00 63.44 O ATOM 465 OD2 ASP A 29 -8.464 1.457 -10.593 1.00 41.22 O ATOM 0 H ASP A 29 -5.108 -2.166 -9.946 1.00 72.11 H new ATOM 0 HA ASP A 29 -4.856 0.509 -11.191 1.00 75.42 H new ATOM 0 HB2 ASP A 29 -6.826 -0.718 -12.189 1.00 52.12 H new ATOM 0 HB3 ASP A 29 -7.497 -0.867 -10.577 1.00 52.12 H new ATOM 470 N ASP A 30 -5.810 1.461 -8.888 1.00 74.03 N ATOM 471 CA ASP A 30 -5.919 2.003 -7.536 1.00 64.34 C ATOM 472 C ASP A 30 -7.149 1.457 -6.780 1.00 13.44 C ATOM 473 O ASP A 30 -7.192 1.504 -5.544 1.00 50.13 O ATOM 474 CB ASP A 30 -5.917 3.551 -7.588 1.00 43.11 C ATOM 475 CG ASP A 30 -7.067 4.158 -8.402 1.00 72.33 C ATOM 476 OD1 ASP A 30 -7.017 4.101 -9.649 1.00 71.41 O ATOM 477 OD2 ASP A 30 -8.019 4.710 -7.806 1.00 33.41 O ATOM 0 H ASP A 30 -6.010 2.142 -9.620 1.00 74.03 H new ATOM 0 HA ASP A 30 -5.049 1.672 -6.969 1.00 64.34 H new ATOM 0 HB2 ASP A 30 -5.965 3.937 -6.570 1.00 43.11 H new ATOM 0 HB3 ASP A 30 -4.971 3.887 -8.012 1.00 43.11 H new ATOM 482 N GLN A 31 -8.136 0.930 -7.521 1.00 1.33 N ATOM 483 CA GLN A 31 -9.343 0.312 -6.938 1.00 4.43 C ATOM 484 C GLN A 31 -9.290 -1.232 -7.051 1.00 60.44 C ATOM 485 O GLN A 31 -10.184 -1.924 -6.538 1.00 43.34 O ATOM 486 CB GLN A 31 -10.605 0.875 -7.649 1.00 23.30 C ATOM 487 CG GLN A 31 -10.712 2.416 -7.653 1.00 11.01 C ATOM 488 CD GLN A 31 -11.988 2.964 -8.311 1.00 45.14 C ATOM 489 OE1 GLN A 31 -12.569 2.340 -9.201 1.00 24.13 O ATOM 490 NE2 GLN A 31 -12.418 4.147 -7.887 1.00 61.04 N ATOM 0 H GLN A 31 -8.122 0.919 -8.541 1.00 1.33 H new ATOM 0 HA GLN A 31 -9.389 0.559 -5.877 1.00 4.43 H new ATOM 0 HB2 GLN A 31 -10.612 0.522 -8.680 1.00 23.30 H new ATOM 0 HB3 GLN A 31 -11.491 0.464 -7.165 1.00 23.30 H new ATOM 0 HG2 GLN A 31 -10.666 2.773 -6.624 1.00 11.01 H new ATOM 0 HG3 GLN A 31 -9.846 2.826 -8.172 1.00 11.01 H new ATOM 0 HE21 GLN A 31 -11.914 4.638 -7.148 1.00 61.04 H new ATOM 0 HE22 GLN A 31 -13.252 4.565 -8.300 1.00 61.04 H new ATOM 499 N THR A 32 -8.252 -1.767 -7.741 1.00 60.32 N ATOM 500 CA THR A 32 -8.030 -3.224 -7.844 1.00 72.33 C ATOM 501 C THR A 32 -7.579 -3.788 -6.487 1.00 64.24 C ATOM 502 O THR A 32 -6.555 -3.338 -5.959 1.00 0.04 O ATOM 503 CB THR A 32 -6.965 -3.571 -8.923 1.00 42.00 C ATOM 504 OG1 THR A 32 -7.461 -3.194 -10.209 1.00 61.22 O ATOM 505 CG2 THR A 32 -6.575 -5.066 -8.943 1.00 43.41 C ATOM 0 H THR A 32 -7.557 -1.207 -8.234 1.00 60.32 H new ATOM 0 HA THR A 32 -8.976 -3.677 -8.140 1.00 72.33 H new ATOM 0 HB THR A 32 -6.063 -3.015 -8.669 1.00 42.00 H new ATOM 0 HG1 THR A 32 -6.793 -3.409 -10.893 1.00 61.22 H new ATOM 0 HG21 THR A 32 -5.829 -5.237 -9.719 1.00 43.41 H new ATOM 0 HG22 THR A 32 -6.162 -5.347 -7.974 1.00 43.41 H new ATOM 0 HG23 THR A 32 -7.459 -5.670 -9.150 1.00 43.41 H new ATOM 513 N PRO A 33 -8.334 -4.775 -5.904 1.00 22.04 N ATOM 514 CA PRO A 33 -7.972 -5.393 -4.617 1.00 20.13 C ATOM 515 C PRO A 33 -6.714 -6.285 -4.733 1.00 21.02 C ATOM 516 O PRO A 33 -6.758 -7.384 -5.288 1.00 72.25 O ATOM 517 CB PRO A 33 -9.245 -6.196 -4.236 1.00 14.51 C ATOM 518 CG PRO A 33 -9.937 -6.483 -5.535 1.00 64.55 C ATOM 519 CD PRO A 33 -9.611 -5.327 -6.448 1.00 4.13 C ATOM 0 HA PRO A 33 -7.699 -4.663 -3.855 1.00 20.13 H new ATOM 0 HB2 PRO A 33 -8.987 -7.119 -3.716 1.00 14.51 H new ATOM 0 HB3 PRO A 33 -9.886 -5.622 -3.567 1.00 14.51 H new ATOM 0 HG2 PRO A 33 -9.591 -7.425 -5.961 1.00 64.55 H new ATOM 0 HG3 PRO A 33 -11.014 -6.574 -5.391 1.00 64.55 H new ATOM 0 HD2 PRO A 33 -9.494 -5.656 -7.480 1.00 4.13 H new ATOM 0 HD3 PRO A 33 -10.403 -4.578 -6.440 1.00 4.13 H new ATOM 527 N LEU A 34 -5.590 -5.789 -4.179 1.00 34.40 N ATOM 528 CA LEU A 34 -4.277 -6.453 -4.247 1.00 25.43 C ATOM 529 C LEU A 34 -4.297 -7.812 -3.502 1.00 34.34 C ATOM 530 O LEU A 34 -3.699 -8.788 -3.977 1.00 31.25 O ATOM 531 CB LEU A 34 -3.160 -5.539 -3.661 1.00 30.32 C ATOM 532 CG LEU A 34 -2.785 -4.208 -4.417 1.00 22.23 C ATOM 533 CD1 LEU A 34 -2.530 -4.439 -5.913 1.00 31.31 C ATOM 534 CD2 LEU A 34 -3.802 -3.077 -4.205 1.00 13.30 C ATOM 0 H LEU A 34 -5.570 -4.907 -3.667 1.00 34.40 H new ATOM 0 HA LEU A 34 -4.059 -6.640 -5.298 1.00 25.43 H new ATOM 0 HB2 LEU A 34 -3.454 -5.269 -2.647 1.00 30.32 H new ATOM 0 HB3 LEU A 34 -2.253 -6.138 -3.581 1.00 30.32 H new ATOM 0 HG LEU A 34 -1.850 -3.879 -3.963 1.00 22.23 H new ATOM 0 HD11 LEU A 34 -2.275 -3.492 -6.389 1.00 31.31 H new ATOM 0 HD12 LEU A 34 -1.705 -5.141 -6.037 1.00 31.31 H new ATOM 0 HD13 LEU A 34 -3.428 -4.848 -6.376 1.00 31.31 H new ATOM 0 HD21 LEU A 34 -3.481 -2.192 -4.754 1.00 13.30 H new ATOM 0 HD22 LEU A 34 -4.780 -3.394 -4.568 1.00 13.30 H new ATOM 0 HD23 LEU A 34 -3.868 -2.841 -3.143 1.00 13.30 H new ATOM 546 N LEU A 35 -4.987 -7.869 -2.337 1.00 2.25 N ATOM 547 CA LEU A 35 -5.163 -9.128 -1.560 1.00 62.14 C ATOM 548 C LEU A 35 -5.891 -10.195 -2.398 1.00 71.44 C ATOM 549 O LEU A 35 -5.448 -11.349 -2.471 1.00 21.40 O ATOM 550 CB LEU A 35 -5.977 -8.893 -0.263 1.00 42.15 C ATOM 551 CG LEU A 35 -5.312 -8.043 0.856 1.00 3.02 C ATOM 552 CD1 LEU A 35 -6.317 -7.786 1.987 1.00 33.31 C ATOM 553 CD2 LEU A 35 -4.046 -8.723 1.423 1.00 74.22 C ATOM 0 H LEU A 35 -5.433 -7.057 -1.911 1.00 2.25 H new ATOM 0 HA LEU A 35 -4.162 -9.473 -1.300 1.00 62.14 H new ATOM 0 HB2 LEU A 35 -6.916 -8.413 -0.537 1.00 42.15 H new ATOM 0 HB3 LEU A 35 -6.228 -9.867 0.158 1.00 42.15 H new ATOM 0 HG LEU A 35 -5.008 -7.095 0.412 1.00 3.02 H new ATOM 0 HD11 LEU A 35 -5.843 -7.190 2.767 1.00 33.31 H new ATOM 0 HD12 LEU A 35 -7.179 -7.248 1.593 1.00 33.31 H new ATOM 0 HD13 LEU A 35 -6.644 -8.737 2.406 1.00 33.31 H new ATOM 0 HD21 LEU A 35 -3.614 -8.095 2.202 1.00 74.22 H new ATOM 0 HD22 LEU A 35 -4.312 -9.693 1.844 1.00 74.22 H new ATOM 0 HD23 LEU A 35 -3.318 -8.862 0.623 1.00 74.22 H new ATOM 565 N GLU A 36 -7.014 -9.771 -3.015 1.00 64.11 N ATOM 566 CA GLU A 36 -7.865 -10.641 -3.849 1.00 1.44 C ATOM 567 C GLU A 36 -7.079 -11.211 -5.031 1.00 51.14 C ATOM 568 O GLU A 36 -7.194 -12.395 -5.342 1.00 43.22 O ATOM 569 CB GLU A 36 -9.096 -9.858 -4.365 1.00 33.33 C ATOM 570 CG GLU A 36 -10.055 -10.632 -5.304 1.00 20.35 C ATOM 571 CD GLU A 36 -10.692 -11.883 -4.664 1.00 21.54 C ATOM 572 OE1 GLU A 36 -11.727 -11.749 -3.975 1.00 25.22 O ATOM 573 OE2 GLU A 36 -10.153 -13.001 -4.831 1.00 0.41 O ATOM 0 H GLU A 36 -7.356 -8.812 -2.948 1.00 64.11 H new ATOM 0 HA GLU A 36 -8.204 -11.471 -3.228 1.00 1.44 H new ATOM 0 HB2 GLU A 36 -9.666 -9.510 -3.504 1.00 33.33 H new ATOM 0 HB3 GLU A 36 -8.742 -8.972 -4.892 1.00 33.33 H new ATOM 0 HG2 GLU A 36 -10.849 -9.959 -5.629 1.00 20.35 H new ATOM 0 HG3 GLU A 36 -9.507 -10.933 -6.197 1.00 20.35 H new ATOM 580 N TRP A 37 -6.229 -10.375 -5.645 1.00 2.20 N ATOM 581 CA TRP A 37 -5.463 -10.781 -6.850 1.00 63.11 C ATOM 582 C TRP A 37 -4.206 -11.593 -6.472 1.00 50.23 C ATOM 583 O TRP A 37 -3.403 -11.936 -7.346 1.00 51.43 O ATOM 584 CB TRP A 37 -5.116 -9.537 -7.704 1.00 2.22 C ATOM 585 CG TRP A 37 -6.296 -9.000 -8.494 1.00 64.41 C ATOM 586 CD1 TRP A 37 -7.481 -8.526 -8.002 1.00 54.52 C ATOM 587 CD2 TRP A 37 -6.399 -8.913 -9.923 1.00 70.24 C ATOM 588 NE1 TRP A 37 -8.299 -8.135 -9.024 1.00 20.22 N ATOM 589 CE2 TRP A 37 -7.661 -8.362 -10.217 1.00 74.42 C ATOM 590 CE3 TRP A 37 -5.543 -9.238 -10.980 1.00 50.10 C ATOM 591 CZ2 TRP A 37 -8.085 -8.135 -11.523 1.00 55.13 C ATOM 592 CZ3 TRP A 37 -5.969 -9.013 -12.274 1.00 25.13 C ATOM 593 CH2 TRP A 37 -7.230 -8.463 -12.535 1.00 4.15 C ATOM 0 H TRP A 37 -6.050 -9.419 -5.336 1.00 2.20 H new ATOM 0 HA TRP A 37 -6.088 -11.439 -7.454 1.00 63.11 H new ATOM 0 HB2 TRP A 37 -4.738 -8.751 -7.051 1.00 2.22 H new ATOM 0 HB3 TRP A 37 -4.312 -9.792 -8.394 1.00 2.22 H new ATOM 0 HD1 TRP A 37 -7.734 -8.469 -6.954 1.00 54.52 H new ATOM 0 HE1 TRP A 37 -9.233 -7.739 -8.917 1.00 20.22 H new ATOM 0 HE3 TRP A 37 -4.566 -9.657 -10.788 1.00 50.10 H new ATOM 0 HZ2 TRP A 37 -9.058 -7.713 -11.729 1.00 55.13 H new ATOM 0 HZ3 TRP A 37 -5.319 -9.265 -13.099 1.00 25.13 H new ATOM 0 HH2 TRP A 37 -7.532 -8.295 -13.558 1.00 4.15 H new ATOM 604 N GLY A 38 -4.058 -11.903 -5.165 1.00 2.21 N ATOM 605 CA GLY A 38 -2.959 -12.733 -4.670 1.00 54.01 C ATOM 606 C GLY A 38 -1.609 -12.033 -4.715 1.00 13.33 C ATOM 607 O GLY A 38 -0.564 -12.678 -4.625 1.00 64.30 O ATOM 0 H GLY A 38 -4.696 -11.584 -4.436 1.00 2.21 H new ATOM 0 HA2 GLY A 38 -3.172 -13.031 -3.643 1.00 54.01 H new ATOM 0 HA3 GLY A 38 -2.907 -13.646 -5.263 1.00 54.01 H new ATOM 611 N ILE A 39 -1.647 -10.701 -4.838 1.00 14.22 N ATOM 612 CA ILE A 39 -0.462 -9.852 -4.922 1.00 63.13 C ATOM 613 C ILE A 39 0.143 -9.711 -3.520 1.00 31.53 C ATOM 614 O ILE A 39 1.354 -9.826 -3.340 1.00 35.41 O ATOM 615 CB ILE A 39 -0.858 -8.453 -5.545 1.00 75.13 C ATOM 616 CG1 ILE A 39 -1.391 -8.648 -7.012 1.00 34.21 C ATOM 617 CG2 ILE A 39 0.307 -7.443 -5.492 1.00 32.51 C ATOM 618 CD1 ILE A 39 -1.833 -7.390 -7.744 1.00 24.44 C ATOM 0 H ILE A 39 -2.521 -10.177 -4.882 1.00 14.22 H new ATOM 0 HA ILE A 39 0.290 -10.297 -5.573 1.00 63.13 H new ATOM 0 HB ILE A 39 -1.658 -8.028 -4.939 1.00 75.13 H new ATOM 0 HG12 ILE A 39 -0.608 -9.127 -7.599 1.00 34.21 H new ATOM 0 HG13 ILE A 39 -2.234 -9.339 -6.980 1.00 34.21 H new ATOM 0 HG21 ILE A 39 -0.011 -6.497 -5.931 1.00 32.51 H new ATOM 0 HG22 ILE A 39 0.601 -7.281 -4.455 1.00 32.51 H new ATOM 0 HG23 ILE A 39 1.155 -7.836 -6.053 1.00 32.51 H new ATOM 0 HD11 ILE A 39 -2.179 -7.653 -8.743 1.00 24.44 H new ATOM 0 HD12 ILE A 39 -2.644 -6.914 -7.193 1.00 24.44 H new ATOM 0 HD13 ILE A 39 -0.993 -6.700 -7.821 1.00 24.44 H new ATOM 630 N LEU A 40 -0.743 -9.519 -2.526 1.00 73.25 N ATOM 631 CA LEU A 40 -0.368 -9.360 -1.109 1.00 5.33 C ATOM 632 C LEU A 40 -0.812 -10.580 -0.284 1.00 22.14 C ATOM 633 O LEU A 40 -1.979 -10.961 -0.349 1.00 54.42 O ATOM 634 CB LEU A 40 -1.041 -8.089 -0.554 1.00 11.21 C ATOM 635 CG LEU A 40 -0.753 -6.750 -1.294 1.00 3.20 C ATOM 636 CD1 LEU A 40 -1.470 -5.573 -0.595 1.00 3.44 C ATOM 637 CD2 LEU A 40 0.755 -6.491 -1.435 1.00 25.41 C ATOM 0 H LEU A 40 -1.749 -9.469 -2.685 1.00 73.25 H new ATOM 0 HA LEU A 40 0.716 -9.275 -1.037 1.00 5.33 H new ATOM 0 HB2 LEU A 40 -2.119 -8.250 -0.554 1.00 11.21 H new ATOM 0 HB3 LEU A 40 -0.737 -7.972 0.486 1.00 11.21 H new ATOM 0 HG LEU A 40 -1.155 -6.835 -2.304 1.00 3.20 H new ATOM 0 HD11 LEU A 40 -1.255 -4.647 -1.129 1.00 3.44 H new ATOM 0 HD12 LEU A 40 -2.545 -5.750 -0.595 1.00 3.44 H new ATOM 0 HD13 LEU A 40 -1.116 -5.490 0.433 1.00 3.44 H new ATOM 0 HD21 LEU A 40 0.915 -5.547 -1.957 1.00 25.41 H new ATOM 0 HD22 LEU A 40 1.210 -6.440 -0.446 1.00 25.41 H new ATOM 0 HD23 LEU A 40 1.212 -7.301 -2.003 1.00 25.41 H new ATOM 649 N ASN A 41 0.129 -11.176 0.482 1.00 21.05 N ATOM 650 CA ASN A 41 -0.165 -12.250 1.472 1.00 71.52 C ATOM 651 C ASN A 41 0.918 -12.260 2.578 1.00 4.32 C ATOM 652 O ASN A 41 1.762 -13.176 2.619 1.00 35.14 O ATOM 653 CB ASN A 41 -0.298 -13.671 0.796 1.00 33.24 C ATOM 654 CG ASN A 41 -1.753 -14.132 0.570 1.00 10.52 C ATOM 655 OD1 ASN A 41 -2.353 -14.778 1.431 1.00 62.42 O ATOM 656 ND2 ASN A 41 -2.333 -13.792 -0.572 1.00 64.51 N ATOM 0 H ASN A 41 1.118 -10.929 0.435 1.00 21.05 H new ATOM 0 HA ASN A 41 -1.133 -12.029 1.922 1.00 71.52 H new ATOM 0 HB2 ASN A 41 0.219 -13.654 -0.164 1.00 33.24 H new ATOM 0 HB3 ASN A 41 0.211 -14.406 1.419 1.00 33.24 H new ATOM 0 HD21 ASN A 41 -3.299 -14.065 -0.755 1.00 64.51 H new ATOM 0 HD22 ASN A 41 -1.814 -13.257 -1.268 1.00 64.51 H new ATOM 663 N SER A 42 0.901 -11.184 3.426 1.00 51.34 N ATOM 664 CA SER A 42 1.714 -11.038 4.670 1.00 35.01 C ATOM 665 C SER A 42 3.210 -10.769 4.385 1.00 40.30 C ATOM 666 O SER A 42 3.708 -9.673 4.694 1.00 63.52 O ATOM 667 CB SER A 42 1.502 -12.240 5.641 1.00 34.21 C ATOM 668 OG SER A 42 2.205 -12.061 6.860 1.00 45.44 O ATOM 0 H SER A 42 0.304 -10.375 3.255 1.00 51.34 H new ATOM 0 HA SER A 42 1.345 -10.146 5.177 1.00 35.01 H new ATOM 0 HB2 SER A 42 0.438 -12.357 5.848 1.00 34.21 H new ATOM 0 HB3 SER A 42 1.836 -13.159 5.160 1.00 34.21 H new ATOM 673 N MET A 43 3.893 -11.757 3.777 1.00 62.55 N ATOM 674 CA MET A 43 5.348 -11.732 3.525 1.00 70.12 C ATOM 675 C MET A 43 5.817 -10.428 2.861 1.00 54.24 C ATOM 676 O MET A 43 6.716 -9.744 3.362 1.00 60.12 O ATOM 677 CB MET A 43 5.745 -12.943 2.636 1.00 31.13 C ATOM 678 CG MET A 43 5.276 -14.333 3.118 1.00 62.31 C ATOM 679 SD MET A 43 6.008 -14.877 4.685 1.00 13.24 S ATOM 680 CE MET A 43 4.913 -14.135 5.899 1.00 43.51 C ATOM 0 H MET A 43 3.443 -12.609 3.441 1.00 62.55 H new ATOM 0 HA MET A 43 5.842 -11.793 4.495 1.00 70.12 H new ATOM 0 HB2 MET A 43 5.347 -12.777 1.635 1.00 31.13 H new ATOM 0 HB3 MET A 43 6.831 -12.961 2.548 1.00 31.13 H new ATOM 0 HG2 MET A 43 4.191 -14.319 3.225 1.00 62.31 H new ATOM 0 HG3 MET A 43 5.511 -15.068 2.348 1.00 62.31 H new ATOM 0 HE1 MET A 43 4.757 -14.832 6.722 1.00 43.51 H new ATOM 0 HE2 MET A 43 5.361 -13.217 6.280 1.00 43.51 H new ATOM 0 HE3 MET A 43 3.955 -13.905 5.432 1.00 43.51 H new ATOM 690 N ASN A 44 5.192 -10.100 1.727 1.00 61.12 N ATOM 691 CA ASN A 44 5.557 -8.912 0.920 1.00 13.12 C ATOM 692 C ASN A 44 4.861 -7.626 1.423 1.00 34.04 C ATOM 693 O ASN A 44 5.208 -6.523 1.006 1.00 15.21 O ATOM 694 CB ASN A 44 5.236 -9.140 -0.570 1.00 12.34 C ATOM 695 CG ASN A 44 3.739 -9.117 -0.923 1.00 44.20 C ATOM 696 OD1 ASN A 44 2.904 -9.633 -0.171 1.00 42.13 O ATOM 697 ND2 ASN A 44 3.393 -8.486 -2.047 1.00 14.22 N ATOM 0 H ASN A 44 4.421 -10.642 1.336 1.00 61.12 H new ATOM 0 HA ASN A 44 6.632 -8.772 1.035 1.00 13.12 H new ATOM 0 HB2 ASN A 44 5.744 -8.375 -1.157 1.00 12.34 H new ATOM 0 HB3 ASN A 44 5.651 -10.102 -0.873 1.00 12.34 H new ATOM 0 HD21 ASN A 44 2.410 -8.417 -2.311 1.00 14.22 H new ATOM 0 HD22 ASN A 44 4.111 -8.073 -2.642 1.00 14.22 H new ATOM 704 N ILE A 45 3.877 -7.796 2.309 1.00 12.53 N ATOM 705 CA ILE A 45 3.120 -6.695 2.933 1.00 53.20 C ATOM 706 C ILE A 45 3.999 -5.898 3.907 1.00 75.13 C ATOM 707 O ILE A 45 3.854 -4.679 4.045 1.00 71.35 O ATOM 708 CB ILE A 45 1.839 -7.279 3.665 1.00 30.25 C ATOM 709 CG1 ILE A 45 0.661 -7.422 2.655 1.00 32.15 C ATOM 710 CG2 ILE A 45 1.440 -6.483 4.935 1.00 74.22 C ATOM 711 CD1 ILE A 45 -0.606 -8.017 3.228 1.00 55.40 C ATOM 0 H ILE A 45 3.574 -8.718 2.622 1.00 12.53 H new ATOM 0 HA ILE A 45 2.797 -6.005 2.153 1.00 53.20 H new ATOM 0 HB ILE A 45 2.098 -8.273 4.031 1.00 30.25 H new ATOM 0 HG12 ILE A 45 0.430 -6.438 2.248 1.00 32.15 H new ATOM 0 HG13 ILE A 45 0.991 -8.042 1.821 1.00 32.15 H new ATOM 0 HG21 ILE A 45 0.557 -6.936 5.386 1.00 74.22 H new ATOM 0 HG22 ILE A 45 2.263 -6.502 5.650 1.00 74.22 H new ATOM 0 HG23 ILE A 45 1.220 -5.451 4.663 1.00 74.22 H new ATOM 0 HD11 ILE A 45 -1.366 -8.075 2.448 1.00 55.40 H new ATOM 0 HD12 ILE A 45 -0.399 -9.017 3.608 1.00 55.40 H new ATOM 0 HD13 ILE A 45 -0.968 -7.388 4.041 1.00 55.40 H new ATOM 723 N VAL A 46 4.911 -6.610 4.567 1.00 3.53 N ATOM 724 CA VAL A 46 5.814 -6.034 5.581 1.00 43.12 C ATOM 725 C VAL A 46 6.807 -5.034 4.938 1.00 52.03 C ATOM 726 O VAL A 46 7.331 -4.125 5.600 1.00 21.45 O ATOM 727 CB VAL A 46 6.562 -7.177 6.342 1.00 33.24 C ATOM 728 CG1 VAL A 46 7.368 -6.635 7.534 1.00 53.14 C ATOM 729 CG2 VAL A 46 5.579 -8.265 6.821 1.00 34.32 C ATOM 0 H VAL A 46 5.051 -7.609 4.418 1.00 3.53 H new ATOM 0 HA VAL A 46 5.219 -5.476 6.304 1.00 43.12 H new ATOM 0 HB VAL A 46 7.261 -7.624 5.634 1.00 33.24 H new ATOM 0 HG11 VAL A 46 7.873 -7.460 8.037 1.00 53.14 H new ATOM 0 HG12 VAL A 46 8.109 -5.919 7.177 1.00 53.14 H new ATOM 0 HG13 VAL A 46 6.694 -6.141 8.234 1.00 53.14 H new ATOM 0 HG21 VAL A 46 6.129 -9.046 7.347 1.00 34.32 H new ATOM 0 HG22 VAL A 46 4.845 -7.822 7.494 1.00 34.32 H new ATOM 0 HG23 VAL A 46 5.067 -8.697 5.961 1.00 34.32 H new ATOM 739 N LYS A 47 6.999 -5.205 3.622 1.00 73.43 N ATOM 740 CA LYS A 47 7.756 -4.273 2.772 1.00 75.01 C ATOM 741 C LYS A 47 7.077 -2.895 2.748 1.00 52.12 C ATOM 742 O LYS A 47 7.756 -1.877 2.760 1.00 1.41 O ATOM 743 CB LYS A 47 7.895 -4.824 1.327 1.00 73.22 C ATOM 744 CG LYS A 47 8.987 -5.890 1.132 1.00 54.14 C ATOM 745 CD LYS A 47 8.803 -7.152 1.995 1.00 0.32 C ATOM 746 CE LYS A 47 9.944 -8.160 1.793 1.00 73.02 C ATOM 747 NZ LYS A 47 11.285 -7.540 1.975 1.00 12.13 N ATOM 0 H LYS A 47 6.628 -6.006 3.111 1.00 73.43 H new ATOM 0 HA LYS A 47 8.754 -4.168 3.196 1.00 75.01 H new ATOM 0 HB2 LYS A 47 6.938 -5.248 1.024 1.00 73.22 H new ATOM 0 HB3 LYS A 47 8.101 -3.990 0.656 1.00 73.22 H new ATOM 0 HG2 LYS A 47 9.009 -6.182 0.082 1.00 54.14 H new ATOM 0 HG3 LYS A 47 9.956 -5.446 1.360 1.00 54.14 H new ATOM 0 HD2 LYS A 47 8.752 -6.868 3.046 1.00 0.32 H new ATOM 0 HD3 LYS A 47 7.853 -7.625 1.747 1.00 0.32 H new ATOM 0 HE2 LYS A 47 9.828 -8.983 2.498 1.00 73.02 H new ATOM 0 HE3 LYS A 47 9.876 -8.586 0.792 1.00 73.02 H new ATOM 0 HZ1 LYS A 47 12.003 -8.287 2.065 1.00 12.13 H new ATOM 0 HZ2 LYS A 47 11.507 -6.944 1.152 1.00 12.13 H new ATOM 0 HZ3 LYS A 47 11.283 -6.955 2.835 1.00 12.13 H new ATOM 761 N LEU A 48 5.727 -2.886 2.716 1.00 74.32 N ATOM 762 CA LEU A 48 4.926 -1.643 2.755 1.00 53.34 C ATOM 763 C LEU A 48 5.080 -0.931 4.119 1.00 60.24 C ATOM 764 O LEU A 48 5.185 0.295 4.158 1.00 61.13 O ATOM 765 CB LEU A 48 3.414 -1.914 2.443 1.00 12.43 C ATOM 766 CG LEU A 48 3.039 -2.255 0.947 1.00 60.15 C ATOM 767 CD1 LEU A 48 3.495 -1.136 -0.034 1.00 12.12 C ATOM 768 CD2 LEU A 48 3.577 -3.639 0.493 1.00 71.32 C ATOM 0 H LEU A 48 5.164 -3.735 2.663 1.00 74.32 H new ATOM 0 HA LEU A 48 5.310 -0.986 1.975 1.00 53.34 H new ATOM 0 HB2 LEU A 48 3.081 -2.740 3.072 1.00 12.43 H new ATOM 0 HB3 LEU A 48 2.844 -1.035 2.743 1.00 12.43 H new ATOM 0 HG LEU A 48 1.951 -2.309 0.917 1.00 60.15 H new ATOM 0 HD11 LEU A 48 3.218 -1.410 -1.052 1.00 12.12 H new ATOM 0 HD12 LEU A 48 3.010 -0.197 0.234 1.00 12.12 H new ATOM 0 HD13 LEU A 48 4.577 -1.016 0.028 1.00 12.12 H new ATOM 0 HD21 LEU A 48 3.289 -3.819 -0.543 1.00 71.32 H new ATOM 0 HD22 LEU A 48 4.664 -3.652 0.575 1.00 71.32 H new ATOM 0 HD23 LEU A 48 3.156 -4.419 1.128 1.00 71.32 H new ATOM 780 N MET A 49 5.138 -1.715 5.223 1.00 60.53 N ATOM 781 CA MET A 49 5.255 -1.165 6.605 1.00 13.21 C ATOM 782 C MET A 49 6.525 -0.295 6.741 1.00 52.41 C ATOM 783 O MET A 49 6.472 0.826 7.259 1.00 32.31 O ATOM 784 CB MET A 49 5.310 -2.292 7.684 1.00 15.42 C ATOM 785 CG MET A 49 4.172 -3.325 7.662 1.00 4.43 C ATOM 786 SD MET A 49 4.437 -4.617 8.910 1.00 22.54 S ATOM 787 CE MET A 49 3.322 -5.928 8.396 1.00 73.23 C ATOM 0 H MET A 49 5.106 -2.734 5.188 1.00 60.53 H new ATOM 0 HA MET A 49 4.363 -0.561 6.773 1.00 13.21 H new ATOM 0 HB2 MET A 49 6.255 -2.824 7.572 1.00 15.42 H new ATOM 0 HB3 MET A 49 5.323 -1.821 8.667 1.00 15.42 H new ATOM 0 HG2 MET A 49 3.221 -2.826 7.847 1.00 4.43 H new ATOM 0 HG3 MET A 49 4.107 -3.778 6.673 1.00 4.43 H new ATOM 0 HE1 MET A 49 3.639 -6.871 8.842 1.00 73.23 H new ATOM 0 HE2 MET A 49 2.309 -5.694 8.724 1.00 73.23 H new ATOM 0 HE3 MET A 49 3.340 -6.016 7.310 1.00 73.23 H new ATOM 797 N VAL A 50 7.660 -0.843 6.268 1.00 65.32 N ATOM 798 CA VAL A 50 8.974 -0.161 6.319 1.00 10.40 C ATOM 799 C VAL A 50 9.101 0.915 5.209 1.00 53.22 C ATOM 800 O VAL A 50 9.758 1.944 5.413 1.00 0.31 O ATOM 801 CB VAL A 50 10.165 -1.203 6.235 1.00 15.32 C ATOM 802 CG1 VAL A 50 10.111 -2.049 4.945 1.00 12.42 C ATOM 803 CG2 VAL A 50 11.552 -0.529 6.376 1.00 2.04 C ATOM 0 H VAL A 50 7.696 -1.768 5.840 1.00 65.32 H new ATOM 0 HA VAL A 50 9.038 0.347 7.281 1.00 10.40 H new ATOM 0 HB VAL A 50 10.031 -1.872 7.085 1.00 15.32 H new ATOM 0 HG11 VAL A 50 10.947 -2.748 4.933 1.00 12.42 H new ATOM 0 HG12 VAL A 50 9.173 -2.604 4.913 1.00 12.42 H new ATOM 0 HG13 VAL A 50 10.174 -1.393 4.077 1.00 12.42 H new ATOM 0 HG21 VAL A 50 12.333 -1.287 6.312 1.00 2.04 H new ATOM 0 HG22 VAL A 50 11.686 0.199 5.576 1.00 2.04 H new ATOM 0 HG23 VAL A 50 11.615 -0.024 7.340 1.00 2.04 H new ATOM 813 N TYR A 51 8.427 0.681 4.056 1.00 51.24 N ATOM 814 CA TYR A 51 8.536 1.570 2.871 1.00 12.03 C ATOM 815 C TYR A 51 7.938 2.934 3.173 1.00 4.21 C ATOM 816 O TYR A 51 8.611 3.945 3.082 1.00 34.22 O ATOM 817 CB TYR A 51 7.820 0.993 1.625 1.00 21.42 C ATOM 818 CG TYR A 51 8.143 1.788 0.339 1.00 44.42 C ATOM 819 CD1 TYR A 51 9.442 1.786 -0.187 1.00 24.23 C ATOM 820 CD2 TYR A 51 7.169 2.532 -0.338 1.00 11.34 C ATOM 821 CE1 TYR A 51 9.751 2.489 -1.331 1.00 13.14 C ATOM 822 CE2 TYR A 51 7.483 3.235 -1.486 1.00 21.44 C ATOM 823 CZ TYR A 51 8.771 3.208 -1.977 1.00 42.20 C ATOM 824 OH TYR A 51 9.085 3.898 -3.125 1.00 23.15 O ATOM 0 H TYR A 51 7.803 -0.114 3.921 1.00 51.24 H new ATOM 0 HA TYR A 51 9.600 1.654 2.651 1.00 12.03 H new ATOM 0 HB2 TYR A 51 8.115 -0.048 1.489 1.00 21.42 H new ATOM 0 HB3 TYR A 51 6.743 1.000 1.792 1.00 21.42 H new ATOM 0 HD1 TYR A 51 10.215 1.223 0.314 1.00 24.23 H new ATOM 0 HD2 TYR A 51 6.158 2.557 0.042 1.00 11.34 H new ATOM 0 HE1 TYR A 51 10.759 2.476 -1.719 1.00 13.14 H new ATOM 0 HE2 TYR A 51 6.721 3.804 -1.997 1.00 21.44 H new ATOM 0 HH TYR A 51 8.285 4.354 -3.462 1.00 23.15 H new ATOM 834 N ILE A 52 6.655 2.900 3.540 1.00 63.34 N ATOM 835 CA ILE A 52 5.827 4.081 3.818 1.00 63.04 C ATOM 836 C ILE A 52 6.430 4.884 4.989 1.00 52.24 C ATOM 837 O ILE A 52 6.365 6.109 5.011 1.00 32.31 O ATOM 838 CB ILE A 52 4.353 3.586 4.088 1.00 34.14 C ATOM 839 CG1 ILE A 52 3.837 2.792 2.835 1.00 32.04 C ATOM 840 CG2 ILE A 52 3.394 4.738 4.440 1.00 70.30 C ATOM 841 CD1 ILE A 52 2.606 1.950 3.080 1.00 43.11 C ATOM 0 H ILE A 52 6.146 2.024 3.656 1.00 63.34 H new ATOM 0 HA ILE A 52 5.803 4.765 2.970 1.00 63.04 H new ATOM 0 HB ILE A 52 4.373 2.931 4.959 1.00 34.14 H new ATOM 0 HG12 ILE A 52 3.621 3.502 2.036 1.00 32.04 H new ATOM 0 HG13 ILE A 52 4.638 2.144 2.478 1.00 32.04 H new ATOM 0 HG21 ILE A 52 2.395 4.339 4.615 1.00 70.30 H new ATOM 0 HG22 ILE A 52 3.746 5.243 5.340 1.00 70.30 H new ATOM 0 HG23 ILE A 52 3.361 5.449 3.614 1.00 70.30 H new ATOM 0 HD11 ILE A 52 2.325 1.440 2.159 1.00 43.11 H new ATOM 0 HD12 ILE A 52 2.818 1.212 3.853 1.00 43.11 H new ATOM 0 HD13 ILE A 52 1.786 2.590 3.405 1.00 43.11 H new ATOM 853 N ARG A 53 7.087 4.161 5.923 1.00 23.24 N ATOM 854 CA ARG A 53 7.844 4.765 7.047 1.00 63.14 C ATOM 855 C ARG A 53 9.080 5.555 6.551 1.00 70.52 C ATOM 856 O ARG A 53 9.404 6.623 7.080 1.00 32.15 O ATOM 857 CB ARG A 53 8.280 3.678 8.058 1.00 63.24 C ATOM 858 CG ARG A 53 8.996 4.241 9.308 1.00 21.32 C ATOM 859 CD ARG A 53 9.448 3.151 10.291 1.00 65.50 C ATOM 860 NE ARG A 53 10.356 2.155 9.686 1.00 12.34 N ATOM 861 CZ ARG A 53 11.642 2.356 9.347 1.00 4.03 C ATOM 862 NH1 ARG A 53 12.231 3.531 9.525 1.00 24.43 N ATOM 863 NH2 ARG A 53 12.342 1.355 8.852 1.00 22.45 N ATOM 0 H ARG A 53 7.109 3.141 5.921 1.00 23.24 H new ATOM 0 HA ARG A 53 7.176 5.468 7.545 1.00 63.14 H new ATOM 0 HB2 ARG A 53 7.401 3.117 8.376 1.00 63.24 H new ATOM 0 HB3 ARG A 53 8.944 2.974 7.557 1.00 63.24 H new ATOM 0 HG2 ARG A 53 9.865 4.818 8.992 1.00 21.32 H new ATOM 0 HG3 ARG A 53 8.326 4.930 9.823 1.00 21.32 H new ATOM 0 HD2 ARG A 53 9.948 3.621 11.138 1.00 65.50 H new ATOM 0 HD3 ARG A 53 8.569 2.639 10.684 1.00 65.50 H new ATOM 0 HE ARG A 53 9.971 1.227 9.509 1.00 12.34 H new ATOM 0 HH11 ARG A 53 11.707 4.308 9.927 1.00 24.43 H new ATOM 0 HH12 ARG A 53 13.208 3.657 9.259 1.00 24.43 H new ATOM 0 HH21 ARG A 53 11.908 0.440 8.730 1.00 22.45 H new ATOM 0 HH22 ARG A 53 13.318 1.495 8.591 1.00 22.45 H new ATOM 877 N ASP A 54 9.767 5.008 5.542 1.00 65.34 N ATOM 878 CA ASP A 54 11.003 5.601 4.974 1.00 74.22 C ATOM 879 C ASP A 54 10.672 6.625 3.860 1.00 12.44 C ATOM 880 O ASP A 54 11.471 7.514 3.562 1.00 55.10 O ATOM 881 CB ASP A 54 11.926 4.459 4.447 1.00 23.55 C ATOM 882 CG ASP A 54 13.310 4.944 3.960 1.00 22.42 C ATOM 883 OD1 ASP A 54 14.122 5.383 4.810 1.00 71.22 O ATOM 884 OD2 ASP A 54 13.599 4.891 2.740 1.00 10.14 O ATOM 0 H ASP A 54 9.488 4.138 5.088 1.00 65.34 H new ATOM 0 HA ASP A 54 11.531 6.147 5.756 1.00 74.22 H new ATOM 0 HB2 ASP A 54 12.068 3.725 5.240 1.00 23.55 H new ATOM 0 HB3 ASP A 54 11.422 3.948 3.627 1.00 23.55 H new ATOM 889 N GLU A 55 9.464 6.505 3.281 1.00 61.31 N ATOM 890 CA GLU A 55 9.027 7.316 2.125 1.00 1.11 C ATOM 891 C GLU A 55 8.350 8.599 2.637 1.00 51.41 C ATOM 892 O GLU A 55 8.842 9.705 2.420 1.00 23.21 O ATOM 893 CB GLU A 55 8.046 6.471 1.236 1.00 60.21 C ATOM 894 CG GLU A 55 7.879 6.897 -0.250 1.00 4.02 C ATOM 895 CD GLU A 55 7.348 8.323 -0.489 1.00 41.51 C ATOM 896 OE1 GLU A 55 6.121 8.530 -0.429 1.00 14.32 O ATOM 897 OE2 GLU A 55 8.156 9.244 -0.764 1.00 24.12 O ATOM 0 H GLU A 55 8.759 5.841 3.601 1.00 61.31 H new ATOM 0 HA GLU A 55 9.884 7.598 1.513 1.00 1.11 H new ATOM 0 HB2 GLU A 55 8.384 5.435 1.253 1.00 60.21 H new ATOM 0 HB3 GLU A 55 7.062 6.493 1.705 1.00 60.21 H new ATOM 0 HG2 GLU A 55 8.846 6.803 -0.745 1.00 4.02 H new ATOM 0 HG3 GLU A 55 7.203 6.193 -0.735 1.00 4.02 H new ATOM 904 N MET A 56 7.227 8.418 3.343 1.00 3.41 N ATOM 905 CA MET A 56 6.335 9.526 3.759 1.00 53.42 C ATOM 906 C MET A 56 6.252 9.631 5.298 1.00 61.14 C ATOM 907 O MET A 56 5.498 10.454 5.833 1.00 71.41 O ATOM 908 CB MET A 56 4.943 9.302 3.107 1.00 13.14 C ATOM 909 CG MET A 56 4.155 8.118 3.656 1.00 54.51 C ATOM 910 SD MET A 56 2.923 7.485 2.493 1.00 51.10 S ATOM 911 CE MET A 56 3.962 6.571 1.338 1.00 64.01 C ATOM 0 H MET A 56 6.904 7.499 3.646 1.00 3.41 H new ATOM 0 HA MET A 56 6.738 10.479 3.417 1.00 53.42 H new ATOM 0 HB2 MET A 56 4.348 10.206 3.237 1.00 13.14 H new ATOM 0 HB3 MET A 56 5.080 9.162 2.035 1.00 13.14 H new ATOM 0 HG2 MET A 56 4.847 7.317 3.914 1.00 54.51 H new ATOM 0 HG3 MET A 56 3.656 8.417 4.578 1.00 54.51 H new ATOM 0 HE1 MET A 56 3.409 5.716 0.949 1.00 64.01 H new ATOM 0 HE2 MET A 56 4.249 7.223 0.513 1.00 64.01 H new ATOM 0 HE3 MET A 56 4.857 6.221 1.852 1.00 64.01 H new ATOM 921 N GLY A 57 7.038 8.785 5.996 1.00 10.15 N ATOM 922 CA GLY A 57 7.171 8.847 7.450 1.00 34.23 C ATOM 923 C GLY A 57 6.012 8.222 8.218 1.00 63.54 C ATOM 924 O GLY A 57 5.652 8.712 9.285 1.00 62.25 O ATOM 0 H GLY A 57 7.592 8.047 5.562 1.00 10.15 H new ATOM 0 HA2 GLY A 57 8.094 8.346 7.739 1.00 34.23 H new ATOM 0 HA3 GLY A 57 7.268 9.891 7.749 1.00 34.23 H new ATOM 928 N VAL A 58 5.420 7.138 7.684 1.00 31.14 N ATOM 929 CA VAL A 58 4.298 6.422 8.344 1.00 3.31 C ATOM 930 C VAL A 58 4.585 4.910 8.398 1.00 30.23 C ATOM 931 O VAL A 58 4.623 4.249 7.366 1.00 75.54 O ATOM 932 CB VAL A 58 2.964 6.676 7.542 1.00 74.43 C ATOM 933 CG1 VAL A 58 1.780 5.838 8.070 1.00 64.22 C ATOM 934 CG2 VAL A 58 2.608 8.169 7.535 1.00 34.23 C ATOM 0 H VAL A 58 5.698 6.732 6.791 1.00 31.14 H new ATOM 0 HA VAL A 58 4.192 6.798 9.362 1.00 3.31 H new ATOM 0 HB VAL A 58 3.149 6.351 6.518 1.00 74.43 H new ATOM 0 HG11 VAL A 58 0.889 6.054 7.480 1.00 64.22 H new ATOM 0 HG12 VAL A 58 2.020 4.778 7.989 1.00 64.22 H new ATOM 0 HG13 VAL A 58 1.593 6.089 9.114 1.00 64.22 H new ATOM 0 HG21 VAL A 58 1.684 8.320 6.976 1.00 34.23 H new ATOM 0 HG22 VAL A 58 2.473 8.516 8.560 1.00 34.23 H new ATOM 0 HG23 VAL A 58 3.413 8.733 7.064 1.00 34.23 H new ATOM 944 N SER A 59 4.766 4.372 9.604 1.00 11.51 N ATOM 945 CA SER A 59 4.841 2.923 9.816 1.00 12.51 C ATOM 946 C SER A 59 3.419 2.402 10.030 1.00 23.25 C ATOM 947 O SER A 59 2.706 2.937 10.891 1.00 33.33 O ATOM 948 CB SER A 59 5.729 2.621 11.043 1.00 75.21 C ATOM 949 OG SER A 59 5.336 3.385 12.176 1.00 42.10 O ATOM 0 H SER A 59 4.864 4.922 10.457 1.00 11.51 H new ATOM 0 HA SER A 59 5.285 2.429 8.952 1.00 12.51 H new ATOM 0 HB2 SER A 59 5.671 1.559 11.282 1.00 75.21 H new ATOM 0 HB3 SER A 59 6.770 2.837 10.801 1.00 75.21 H new ATOM 0 HG SER A 59 4.363 3.498 12.173 1.00 42.10 H new ATOM 955 N ILE A 60 2.982 1.403 9.231 1.00 3.41 N ATOM 956 CA ILE A 60 1.710 0.709 9.494 1.00 24.10 C ATOM 957 C ILE A 60 1.932 -0.257 10.686 1.00 5.35 C ATOM 958 O ILE A 60 2.702 -1.220 10.559 1.00 30.25 O ATOM 959 CB ILE A 60 1.159 -0.123 8.277 1.00 72.44 C ATOM 960 CG1 ILE A 60 1.075 0.716 6.959 1.00 10.52 C ATOM 961 CG2 ILE A 60 -0.242 -0.702 8.636 1.00 61.24 C ATOM 962 CD1 ILE A 60 -0.045 1.748 6.932 1.00 72.42 C ATOM 0 H ILE A 60 3.486 1.066 8.411 1.00 3.41 H new ATOM 0 HA ILE A 60 0.967 1.479 9.701 1.00 24.10 H new ATOM 0 HB ILE A 60 1.864 -0.933 8.088 1.00 72.44 H new ATOM 0 HG12 ILE A 60 2.026 1.228 6.809 1.00 10.52 H new ATOM 0 HG13 ILE A 60 0.943 0.035 6.118 1.00 10.52 H new ATOM 0 HG21 ILE A 60 -0.624 -1.278 7.794 1.00 61.24 H new ATOM 0 HG22 ILE A 60 -0.155 -1.349 9.509 1.00 61.24 H new ATOM 0 HG23 ILE A 60 -0.928 0.116 8.857 1.00 61.24 H new ATOM 0 HD11 ILE A 60 -0.026 2.281 5.981 1.00 72.42 H new ATOM 0 HD12 ILE A 60 -1.005 1.246 7.047 1.00 72.42 H new ATOM 0 HD13 ILE A 60 0.094 2.457 7.748 1.00 72.42 H new ATOM 974 N PRO A 61 1.291 0.007 11.864 1.00 44.21 N ATOM 975 CA PRO A 61 1.423 -0.861 13.057 1.00 61.11 C ATOM 976 C PRO A 61 0.603 -2.153 12.921 1.00 22.44 C ATOM 977 O PRO A 61 -0.333 -2.214 12.109 1.00 22.22 O ATOM 978 CB PRO A 61 0.879 0.040 14.181 1.00 31.12 C ATOM 979 CG PRO A 61 -0.136 0.911 13.511 1.00 23.52 C ATOM 980 CD PRO A 61 0.397 1.178 12.131 1.00 12.44 C ATOM 0 HA PRO A 61 2.443 -1.206 13.228 1.00 61.11 H new ATOM 0 HB2 PRO A 61 0.429 -0.550 14.979 1.00 31.12 H new ATOM 0 HB3 PRO A 61 1.674 0.633 14.633 1.00 31.12 H new ATOM 0 HG2 PRO A 61 -1.106 0.416 13.466 1.00 23.52 H new ATOM 0 HG3 PRO A 61 -0.277 1.841 14.062 1.00 23.52 H new ATOM 0 HD2 PRO A 61 -0.406 1.244 11.397 1.00 12.44 H new ATOM 0 HD3 PRO A 61 0.946 2.119 12.089 1.00 12.44 H new ATOM 988 N SER A 62 0.930 -3.164 13.758 1.00 53.03 N ATOM 989 CA SER A 62 0.291 -4.491 13.705 1.00 54.02 C ATOM 990 C SER A 62 -1.237 -4.412 13.963 1.00 44.12 C ATOM 991 O SER A 62 -1.991 -5.269 13.492 1.00 34.14 O ATOM 992 CB SER A 62 0.967 -5.461 14.691 1.00 64.21 C ATOM 993 OG SER A 62 0.838 -5.012 16.033 1.00 43.44 O ATOM 0 H SER A 62 1.641 -3.080 14.484 1.00 53.03 H new ATOM 0 HA SER A 62 0.425 -4.876 12.694 1.00 54.02 H new ATOM 0 HB2 SER A 62 0.521 -6.451 14.593 1.00 64.21 H new ATOM 0 HB3 SER A 62 2.023 -5.560 14.439 1.00 64.21 H new ATOM 0 HG SER A 62 1.276 -5.650 16.635 1.00 43.44 H new ATOM 999 N THR A 63 -1.678 -3.364 14.689 1.00 21.15 N ATOM 1000 CA THR A 63 -3.105 -3.100 14.942 1.00 3.33 C ATOM 1001 C THR A 63 -3.846 -2.658 13.652 1.00 34.44 C ATOM 1002 O THR A 63 -5.012 -3.001 13.450 1.00 61.00 O ATOM 1003 CB THR A 63 -3.269 -2.044 16.093 1.00 14.42 C ATOM 1004 OG1 THR A 63 -4.653 -1.842 16.408 1.00 62.03 O ATOM 1005 CG2 THR A 63 -2.620 -0.696 15.760 1.00 20.41 C ATOM 0 H THR A 63 -1.054 -2.679 15.115 1.00 21.15 H new ATOM 0 HA THR A 63 -3.568 -4.032 15.266 1.00 3.33 H new ATOM 0 HB THR A 63 -2.751 -2.456 16.959 1.00 14.42 H new ATOM 0 HG1 THR A 63 -4.732 -1.182 17.128 1.00 62.03 H new ATOM 0 HG21 THR A 63 -2.765 -0.007 16.592 1.00 20.41 H new ATOM 0 HG22 THR A 63 -1.553 -0.838 15.589 1.00 20.41 H new ATOM 0 HG23 THR A 63 -3.079 -0.283 14.862 1.00 20.41 H new ATOM 1013 N HIS A 64 -3.143 -1.917 12.763 1.00 15.31 N ATOM 1014 CA HIS A 64 -3.676 -1.512 11.434 1.00 45.32 C ATOM 1015 C HIS A 64 -3.349 -2.547 10.344 1.00 21.23 C ATOM 1016 O HIS A 64 -3.692 -2.335 9.173 1.00 4.21 O ATOM 1017 CB HIS A 64 -3.189 -0.082 11.046 1.00 14.00 C ATOM 1018 CG HIS A 64 -4.061 1.011 11.613 1.00 73.14 C ATOM 1019 ND1 HIS A 64 -3.746 1.738 12.739 1.00 31.24 N ATOM 1020 CD2 HIS A 64 -5.267 1.477 11.196 1.00 53.54 C ATOM 1021 CE1 HIS A 64 -4.721 2.588 12.994 1.00 3.30 C ATOM 1022 NE2 HIS A 64 -5.651 2.447 12.075 1.00 50.03 N ATOM 0 H HIS A 64 -2.196 -1.583 12.942 1.00 15.31 H new ATOM 0 HA HIS A 64 -4.763 -1.477 11.513 1.00 45.32 H new ATOM 0 HB2 HIS A 64 -2.167 0.056 11.399 1.00 14.00 H new ATOM 0 HB3 HIS A 64 -3.166 0.006 9.960 1.00 14.00 H new ATOM 0 HD2 HIS A 64 -5.819 1.142 10.330 1.00 53.54 H new ATOM 0 HE1 HIS A 64 -4.751 3.284 13.820 1.00 3.30 H new ATOM 0 HE2 HIS A 64 -6.521 2.978 12.027 1.00 50.03 H new ATOM 1031 N ILE A 65 -2.710 -3.673 10.722 1.00 1.33 N ATOM 1032 CA ILE A 65 -2.536 -4.809 9.806 1.00 51.10 C ATOM 1033 C ILE A 65 -3.817 -5.646 9.820 1.00 33.11 C ATOM 1034 O ILE A 65 -4.028 -6.482 10.708 1.00 10.31 O ATOM 1035 CB ILE A 65 -1.288 -5.697 10.167 1.00 53.11 C ATOM 1036 CG1 ILE A 65 0.008 -4.846 10.191 1.00 44.20 C ATOM 1037 CG2 ILE A 65 -1.132 -6.878 9.184 1.00 34.21 C ATOM 1038 CD1 ILE A 65 0.321 -4.143 8.899 1.00 15.20 C ATOM 0 H ILE A 65 -2.310 -3.816 11.649 1.00 1.33 H new ATOM 0 HA ILE A 65 -2.348 -4.417 8.807 1.00 51.10 H new ATOM 0 HB ILE A 65 -1.456 -6.105 11.163 1.00 53.11 H new ATOM 0 HG12 ILE A 65 -0.077 -4.102 10.983 1.00 44.20 H new ATOM 0 HG13 ILE A 65 0.847 -5.493 10.450 1.00 44.20 H new ATOM 0 HG21 ILE A 65 -0.261 -7.471 9.463 1.00 34.21 H new ATOM 0 HG22 ILE A 65 -2.024 -7.504 9.223 1.00 34.21 H new ATOM 0 HG23 ILE A 65 -1.002 -6.494 8.172 1.00 34.21 H new ATOM 0 HD11 ILE A 65 1.243 -3.573 9.009 1.00 15.20 H new ATOM 0 HD12 ILE A 65 0.442 -4.879 8.104 1.00 15.20 H new ATOM 0 HD13 ILE A 65 -0.495 -3.467 8.646 1.00 15.20 H new ATOM 1050 N THR A 66 -4.694 -5.351 8.859 1.00 1.51 N ATOM 1051 CA THR A 66 -5.953 -6.062 8.662 1.00 74.32 C ATOM 1052 C THR A 66 -6.341 -5.994 7.181 1.00 74.11 C ATOM 1053 O THR A 66 -6.015 -5.023 6.488 1.00 24.43 O ATOM 1054 CB THR A 66 -7.104 -5.495 9.566 1.00 64.32 C ATOM 1055 OG1 THR A 66 -8.377 -6.064 9.186 1.00 24.14 O ATOM 1056 CG2 THR A 66 -7.184 -3.961 9.509 1.00 62.42 C ATOM 0 H THR A 66 -4.545 -4.599 8.186 1.00 1.51 H new ATOM 0 HA THR A 66 -5.809 -7.101 8.959 1.00 74.32 H new ATOM 0 HB THR A 66 -6.870 -5.780 10.592 1.00 64.32 H new ATOM 0 HG1 THR A 66 -9.013 -5.967 9.926 1.00 24.14 H new ATOM 0 HG21 THR A 66 -7.995 -3.615 10.150 1.00 62.42 H new ATOM 0 HG22 THR A 66 -6.242 -3.534 9.853 1.00 62.42 H new ATOM 0 HG23 THR A 66 -7.372 -3.644 8.483 1.00 62.42 H new ATOM 1064 N GLY A 67 -7.043 -7.040 6.717 1.00 31.44 N ATOM 1065 CA GLY A 67 -7.395 -7.194 5.312 1.00 3.33 C ATOM 1066 C GLY A 67 -8.244 -6.057 4.756 1.00 24.22 C ATOM 1067 O GLY A 67 -8.032 -5.625 3.630 1.00 61.41 O ATOM 0 H GLY A 67 -7.379 -7.798 7.312 1.00 31.44 H new ATOM 0 HA2 GLY A 67 -6.480 -7.270 4.725 1.00 3.33 H new ATOM 0 HA3 GLY A 67 -7.935 -8.132 5.184 1.00 3.33 H new ATOM 1071 N LYS A 68 -9.183 -5.548 5.567 1.00 73.23 N ATOM 1072 CA LYS A 68 -10.102 -4.462 5.155 1.00 72.43 C ATOM 1073 C LYS A 68 -9.346 -3.151 4.814 1.00 14.13 C ATOM 1074 O LYS A 68 -9.777 -2.378 3.949 1.00 73.11 O ATOM 1075 CB LYS A 68 -11.140 -4.222 6.271 1.00 14.15 C ATOM 1076 CG LYS A 68 -10.516 -3.833 7.634 1.00 61.13 C ATOM 1077 CD LYS A 68 -11.564 -3.681 8.750 1.00 61.33 C ATOM 1078 CE LYS A 68 -10.939 -3.390 10.125 1.00 44.23 C ATOM 1079 NZ LYS A 68 -11.958 -3.365 11.204 1.00 4.10 N ATOM 0 H LYS A 68 -9.331 -5.871 6.523 1.00 73.23 H new ATOM 0 HA LYS A 68 -10.610 -4.774 4.242 1.00 72.43 H new ATOM 0 HB2 LYS A 68 -11.822 -3.432 5.956 1.00 14.15 H new ATOM 0 HB3 LYS A 68 -11.736 -5.125 6.400 1.00 14.15 H new ATOM 0 HG2 LYS A 68 -9.790 -4.592 7.925 1.00 61.13 H new ATOM 0 HG3 LYS A 68 -9.971 -2.896 7.524 1.00 61.13 H new ATOM 0 HD2 LYS A 68 -12.249 -2.874 8.490 1.00 61.33 H new ATOM 0 HD3 LYS A 68 -12.156 -4.594 8.812 1.00 61.33 H new ATOM 0 HE2 LYS A 68 -10.190 -4.149 10.351 1.00 44.23 H new ATOM 0 HE3 LYS A 68 -10.421 -2.431 10.093 1.00 44.23 H new ATOM 0 HZ1 LYS A 68 -11.495 -3.166 12.114 1.00 4.10 H new ATOM 0 HZ2 LYS A 68 -12.659 -2.624 11.002 1.00 4.10 H new ATOM 0 HZ3 LYS A 68 -12.435 -4.288 11.253 1.00 4.10 H new ATOM 1093 N TYR A 69 -8.215 -2.924 5.503 1.00 71.23 N ATOM 1094 CA TYR A 69 -7.366 -1.730 5.307 1.00 60.45 C ATOM 1095 C TYR A 69 -6.235 -1.988 4.300 1.00 73.15 C ATOM 1096 O TYR A 69 -5.554 -1.050 3.888 1.00 1.51 O ATOM 1097 CB TYR A 69 -6.800 -1.252 6.668 1.00 23.43 C ATOM 1098 CG TYR A 69 -7.850 -0.613 7.621 1.00 40.14 C ATOM 1099 CD1 TYR A 69 -9.049 -0.056 7.134 1.00 72.15 C ATOM 1100 CD2 TYR A 69 -7.628 -0.545 8.997 1.00 32.14 C ATOM 1101 CE1 TYR A 69 -9.970 0.523 7.982 1.00 63.21 C ATOM 1102 CE2 TYR A 69 -8.552 0.036 9.846 1.00 14.32 C ATOM 1103 CZ TYR A 69 -9.717 0.570 9.331 1.00 22.35 C ATOM 1104 OH TYR A 69 -10.645 1.144 10.171 1.00 25.10 O ATOM 0 H TYR A 69 -7.860 -3.563 6.214 1.00 71.23 H new ATOM 0 HA TYR A 69 -7.989 -0.941 4.887 1.00 60.45 H new ATOM 0 HB2 TYR A 69 -6.340 -2.101 7.173 1.00 23.43 H new ATOM 0 HB3 TYR A 69 -6.009 -0.526 6.482 1.00 23.43 H new ATOM 0 HD1 TYR A 69 -9.251 -0.083 6.073 1.00 72.15 H new ATOM 0 HD2 TYR A 69 -6.716 -0.954 9.407 1.00 32.14 H new ATOM 0 HE1 TYR A 69 -10.886 0.937 7.587 1.00 63.21 H new ATOM 0 HE2 TYR A 69 -8.363 0.072 10.909 1.00 14.32 H new ATOM 0 HH TYR A 69 -10.322 1.100 11.095 1.00 25.10 H new ATOM 1114 N PHE A 70 -6.034 -3.258 3.918 1.00 10.43 N ATOM 1115 CA PHE A 70 -5.014 -3.666 2.916 1.00 45.42 C ATOM 1116 C PHE A 70 -5.655 -4.246 1.650 1.00 64.34 C ATOM 1117 O PHE A 70 -4.926 -4.777 0.798 1.00 54.54 O ATOM 1118 CB PHE A 70 -4.004 -4.682 3.542 1.00 2.11 C ATOM 1119 CG PHE A 70 -2.864 -4.017 4.323 1.00 52.41 C ATOM 1120 CD1 PHE A 70 -3.038 -3.600 5.640 1.00 33.25 C ATOM 1121 CD2 PHE A 70 -1.630 -3.774 3.708 1.00 4.53 C ATOM 1122 CE1 PHE A 70 -2.010 -2.991 6.323 1.00 22.44 C ATOM 1123 CE2 PHE A 70 -0.601 -3.164 4.396 1.00 24.23 C ATOM 1124 CZ PHE A 70 -0.795 -2.762 5.697 1.00 3.05 C ATOM 0 H PHE A 70 -6.572 -4.040 4.291 1.00 10.43 H new ATOM 0 HA PHE A 70 -4.469 -2.769 2.620 1.00 45.42 H new ATOM 0 HB2 PHE A 70 -4.545 -5.355 4.208 1.00 2.11 H new ATOM 0 HB3 PHE A 70 -3.579 -5.295 2.747 1.00 2.11 H new ATOM 0 HD1 PHE A 70 -3.988 -3.756 6.130 1.00 33.25 H new ATOM 0 HD2 PHE A 70 -1.481 -4.068 2.680 1.00 4.53 H new ATOM 0 HE1 PHE A 70 -2.151 -2.690 7.351 1.00 22.44 H new ATOM 0 HE2 PHE A 70 0.352 -3.003 3.915 1.00 24.23 H new ATOM 0 HZ PHE A 70 0.002 -2.267 6.232 1.00 3.05 H new ATOM 1134 N LYS A 71 -7.007 -4.135 1.525 1.00 23.22 N ATOM 1135 CA LYS A 71 -7.774 -4.673 0.361 1.00 64.22 C ATOM 1136 C LYS A 71 -7.151 -4.228 -0.963 1.00 62.04 C ATOM 1137 O LYS A 71 -6.700 -5.045 -1.763 1.00 22.54 O ATOM 1138 CB LYS A 71 -9.250 -4.186 0.385 1.00 14.33 C ATOM 1139 CG LYS A 71 -10.168 -4.885 1.395 1.00 3.43 C ATOM 1140 CD LYS A 71 -11.572 -4.245 1.437 1.00 30.20 C ATOM 1141 CE LYS A 71 -12.290 -4.253 0.070 1.00 2.13 C ATOM 1142 NZ LYS A 71 -13.506 -3.397 0.057 1.00 12.42 N ATOM 0 H LYS A 71 -7.593 -3.674 2.221 1.00 23.22 H new ATOM 0 HA LYS A 71 -7.741 -5.760 0.441 1.00 64.22 H new ATOM 0 HB2 LYS A 71 -9.256 -3.117 0.596 1.00 14.33 H new ATOM 0 HB3 LYS A 71 -9.672 -4.316 -0.612 1.00 14.33 H new ATOM 0 HG2 LYS A 71 -10.258 -5.940 1.135 1.00 3.43 H new ATOM 0 HG3 LYS A 71 -9.718 -4.839 2.387 1.00 3.43 H new ATOM 0 HD2 LYS A 71 -12.185 -4.778 2.164 1.00 30.20 H new ATOM 0 HD3 LYS A 71 -11.484 -3.216 1.787 1.00 30.20 H new ATOM 0 HE2 LYS A 71 -11.600 -3.909 -0.701 1.00 2.13 H new ATOM 0 HE3 LYS A 71 -12.568 -5.276 -0.184 1.00 2.13 H new ATOM 0 HZ1 LYS A 71 -13.949 -3.438 -0.883 1.00 12.42 H new ATOM 0 HZ2 LYS A 71 -14.179 -3.739 0.773 1.00 12.42 H new ATOM 0 HZ3 LYS A 71 -13.241 -2.415 0.272 1.00 12.42 H new ATOM 1156 N ASP A 72 -7.057 -2.905 -1.093 1.00 42.54 N ATOM 1157 CA ASP A 72 -6.633 -2.213 -2.305 1.00 62.22 C ATOM 1158 C ASP A 72 -5.909 -0.930 -1.903 1.00 64.10 C ATOM 1159 O ASP A 72 -5.730 -0.651 -0.709 1.00 40.34 O ATOM 1160 CB ASP A 72 -7.848 -1.910 -3.241 1.00 43.22 C ATOM 1161 CG ASP A 72 -8.892 -0.993 -2.596 1.00 31.50 C ATOM 1162 OD1 ASP A 72 -9.653 -1.468 -1.727 1.00 70.01 O ATOM 1163 OD2 ASP A 72 -8.941 0.215 -2.922 1.00 30.24 O ATOM 0 H ASP A 72 -7.282 -2.266 -0.330 1.00 42.54 H new ATOM 0 HA ASP A 72 -5.955 -2.852 -2.871 1.00 62.22 H new ATOM 0 HB2 ASP A 72 -7.485 -1.447 -4.159 1.00 43.22 H new ATOM 0 HB3 ASP A 72 -8.324 -2.849 -3.524 1.00 43.22 H new ATOM 1168 N LEU A 73 -5.492 -0.170 -2.909 1.00 22.22 N ATOM 1169 CA LEU A 73 -4.706 1.045 -2.725 1.00 12.43 C ATOM 1170 C LEU A 73 -5.513 2.161 -2.032 1.00 52.12 C ATOM 1171 O LEU A 73 -4.976 2.877 -1.186 1.00 33.22 O ATOM 1172 CB LEU A 73 -4.200 1.530 -4.086 1.00 1.01 C ATOM 1173 CG LEU A 73 -3.309 2.795 -4.055 1.00 13.25 C ATOM 1174 CD1 LEU A 73 -1.931 2.504 -3.415 1.00 73.32 C ATOM 1175 CD2 LEU A 73 -3.181 3.374 -5.460 1.00 4.23 C ATOM 0 H LEU A 73 -5.692 -0.382 -3.886 1.00 22.22 H new ATOM 0 HA LEU A 73 -3.865 0.806 -2.075 1.00 12.43 H new ATOM 0 HB2 LEU A 73 -3.637 0.722 -4.553 1.00 1.01 H new ATOM 0 HB3 LEU A 73 -5.061 1.729 -4.724 1.00 1.01 H new ATOM 0 HG LEU A 73 -3.787 3.544 -3.423 1.00 13.25 H new ATOM 0 HD11 LEU A 73 -1.332 3.415 -3.410 1.00 73.32 H new ATOM 0 HD12 LEU A 73 -2.071 2.157 -2.391 1.00 73.32 H new ATOM 0 HD13 LEU A 73 -1.417 1.735 -3.992 1.00 73.32 H new ATOM 0 HD21 LEU A 73 -2.553 4.264 -5.431 1.00 4.23 H new ATOM 0 HD22 LEU A 73 -2.730 2.633 -6.119 1.00 4.23 H new ATOM 0 HD23 LEU A 73 -4.169 3.640 -5.835 1.00 4.23 H new ATOM 1187 N ASN A 74 -6.798 2.303 -2.400 1.00 50.32 N ATOM 1188 CA ASN A 74 -7.681 3.338 -1.820 1.00 44.33 C ATOM 1189 C ASN A 74 -8.136 2.943 -0.401 1.00 31.43 C ATOM 1190 O ASN A 74 -8.480 3.821 0.397 1.00 12.40 O ATOM 1191 CB ASN A 74 -8.888 3.626 -2.754 1.00 62.22 C ATOM 1192 CG ASN A 74 -8.475 4.245 -4.095 1.00 42.45 C ATOM 1193 OD1 ASN A 74 -7.473 4.962 -4.188 1.00 70.21 O ATOM 1194 ND2 ASN A 74 -9.250 3.992 -5.132 1.00 31.41 N ATOM 0 H ASN A 74 -7.252 1.714 -3.098 1.00 50.32 H new ATOM 0 HA ASN A 74 -7.111 4.263 -1.732 1.00 44.33 H new ATOM 0 HB2 ASN A 74 -9.426 2.697 -2.940 1.00 62.22 H new ATOM 0 HB3 ASN A 74 -9.580 4.299 -2.247 1.00 62.22 H new ATOM 0 HD21 ASN A 74 -9.029 4.393 -6.044 1.00 31.41 H new ATOM 0 HD22 ASN A 74 -10.070 3.396 -5.022 1.00 31.41 H new ATOM 1201 N ALA A 75 -8.114 1.628 -0.089 1.00 75.23 N ATOM 1202 CA ALA A 75 -8.305 1.129 1.297 1.00 72.23 C ATOM 1203 C ALA A 75 -7.109 1.537 2.176 1.00 71.14 C ATOM 1204 O ALA A 75 -7.279 2.044 3.294 1.00 21.43 O ATOM 1205 CB ALA A 75 -8.500 -0.396 1.297 1.00 45.33 C ATOM 0 H ALA A 75 -7.966 0.890 -0.777 1.00 75.23 H new ATOM 0 HA ALA A 75 -9.205 1.581 1.715 1.00 72.23 H new ATOM 0 HB1 ALA A 75 -8.639 -0.745 2.320 1.00 45.33 H new ATOM 0 HB2 ALA A 75 -9.379 -0.650 0.705 1.00 45.33 H new ATOM 0 HB3 ALA A 75 -7.621 -0.875 0.866 1.00 45.33 H new ATOM 1211 N ILE A 76 -5.904 1.315 1.629 1.00 72.13 N ATOM 1212 CA ILE A 76 -4.629 1.744 2.234 1.00 53.43 C ATOM 1213 C ILE A 76 -4.564 3.269 2.326 1.00 13.42 C ATOM 1214 O ILE A 76 -4.017 3.790 3.292 1.00 33.54 O ATOM 1215 CB ILE A 76 -3.397 1.162 1.437 1.00 41.13 C ATOM 1216 CG1 ILE A 76 -3.370 -0.396 1.563 1.00 54.04 C ATOM 1217 CG2 ILE A 76 -2.048 1.776 1.913 1.00 70.14 C ATOM 1218 CD1 ILE A 76 -2.322 -1.100 0.727 1.00 74.14 C ATOM 0 H ILE A 76 -5.784 0.826 0.742 1.00 72.13 H new ATOM 0 HA ILE A 76 -4.580 1.344 3.247 1.00 53.43 H new ATOM 0 HB ILE A 76 -3.519 1.436 0.389 1.00 41.13 H new ATOM 0 HG12 ILE A 76 -3.209 -0.656 2.609 1.00 54.04 H new ATOM 0 HG13 ILE A 76 -4.351 -0.782 1.286 1.00 54.04 H new ATOM 0 HG21 ILE A 76 -1.229 1.346 1.337 1.00 70.14 H new ATOM 0 HG22 ILE A 76 -2.068 2.856 1.766 1.00 70.14 H new ATOM 0 HG23 ILE A 76 -1.902 1.557 2.971 1.00 70.14 H new ATOM 0 HD11 ILE A 76 -2.390 -2.176 0.889 1.00 74.14 H new ATOM 0 HD12 ILE A 76 -2.490 -0.880 -0.327 1.00 74.14 H new ATOM 0 HD13 ILE A 76 -1.331 -0.751 1.017 1.00 74.14 H new ATOM 1230 N SER A 77 -5.188 3.972 1.353 1.00 1.24 N ATOM 1231 CA SER A 77 -5.198 5.442 1.329 1.00 13.44 C ATOM 1232 C SER A 77 -5.947 5.966 2.552 1.00 55.22 C ATOM 1233 O SER A 77 -5.389 6.731 3.318 1.00 24.34 O ATOM 1234 CB SER A 77 -5.816 5.993 0.024 1.00 41.24 C ATOM 1235 OG SER A 77 -5.708 7.411 -0.044 1.00 65.54 O ATOM 0 H SER A 77 -5.689 3.539 0.577 1.00 1.24 H new ATOM 0 HA SER A 77 -4.166 5.792 1.361 1.00 13.44 H new ATOM 0 HB2 SER A 77 -5.314 5.547 -0.835 1.00 41.24 H new ATOM 0 HB3 SER A 77 -6.865 5.703 -0.034 1.00 41.24 H new ATOM 0 HG SER A 77 -6.360 7.758 -0.688 1.00 65.54 H new ATOM 1241 N ARG A 78 -7.177 5.471 2.775 1.00 3.13 N ATOM 1242 CA ARG A 78 -8.031 5.936 3.902 1.00 53.40 C ATOM 1243 C ARG A 78 -7.352 5.670 5.262 1.00 12.43 C ATOM 1244 O ARG A 78 -7.543 6.423 6.229 1.00 23.11 O ATOM 1245 CB ARG A 78 -9.424 5.261 3.867 1.00 72.51 C ATOM 1246 CG ARG A 78 -10.251 5.535 2.588 1.00 22.31 C ATOM 1247 CD ARG A 78 -10.333 7.031 2.217 1.00 23.21 C ATOM 1248 NE ARG A 78 -10.848 7.859 3.323 1.00 1.34 N ATOM 1249 CZ ARG A 78 -10.354 9.054 3.689 1.00 52.51 C ATOM 1250 NH1 ARG A 78 -9.322 9.596 3.050 1.00 1.13 N ATOM 1251 NH2 ARG A 78 -10.910 9.699 4.693 1.00 63.45 N ATOM 0 H ARG A 78 -7.609 4.751 2.196 1.00 3.13 H new ATOM 0 HA ARG A 78 -8.164 7.011 3.783 1.00 53.40 H new ATOM 0 HB2 ARG A 78 -9.292 4.184 3.973 1.00 72.51 H new ATOM 0 HB3 ARG A 78 -9.996 5.598 4.731 1.00 72.51 H new ATOM 0 HG2 ARG A 78 -9.811 4.986 1.756 1.00 22.31 H new ATOM 0 HG3 ARG A 78 -11.260 5.147 2.727 1.00 22.31 H new ATOM 0 HD2 ARG A 78 -9.343 7.386 1.932 1.00 23.21 H new ATOM 0 HD3 ARG A 78 -10.978 7.151 1.346 1.00 23.21 H new ATOM 0 HE ARG A 78 -11.641 7.496 3.852 1.00 1.34 H new ATOM 0 HH11 ARG A 78 -8.891 9.104 2.267 1.00 1.13 H new ATOM 0 HH12 ARG A 78 -8.961 10.504 3.342 1.00 1.13 H new ATOM 0 HH21 ARG A 78 -11.706 9.291 5.183 1.00 63.45 H new ATOM 0 HH22 ARG A 78 -10.545 10.607 4.981 1.00 63.45 H new ATOM 1265 N THR A 79 -6.556 4.596 5.300 1.00 33.35 N ATOM 1266 CA THR A 79 -5.788 4.189 6.479 1.00 75.34 C ATOM 1267 C THR A 79 -4.530 5.050 6.662 1.00 62.13 C ATOM 1268 O THR A 79 -4.195 5.447 7.777 1.00 51.44 O ATOM 1269 CB THR A 79 -5.397 2.686 6.361 1.00 13.25 C ATOM 1270 OG1 THR A 79 -6.584 1.930 6.101 1.00 62.04 O ATOM 1271 CG2 THR A 79 -4.711 2.140 7.631 1.00 1.53 C ATOM 0 H THR A 79 -6.426 3.977 4.500 1.00 33.35 H new ATOM 0 HA THR A 79 -6.418 4.335 7.357 1.00 75.34 H new ATOM 0 HB THR A 79 -4.676 2.592 5.549 1.00 13.25 H new ATOM 0 HG1 THR A 79 -6.812 1.995 5.150 1.00 62.04 H new ATOM 0 HG21 THR A 79 -4.463 1.088 7.487 1.00 1.53 H new ATOM 0 HG22 THR A 79 -3.799 2.705 7.823 1.00 1.53 H new ATOM 0 HG23 THR A 79 -5.386 2.240 8.481 1.00 1.53 H new ATOM 1279 N VAL A 80 -3.857 5.369 5.562 1.00 72.31 N ATOM 1280 CA VAL A 80 -2.555 6.047 5.611 1.00 51.02 C ATOM 1281 C VAL A 80 -2.745 7.569 5.776 1.00 32.23 C ATOM 1282 O VAL A 80 -1.850 8.242 6.276 1.00 32.41 O ATOM 1283 CB VAL A 80 -1.668 5.689 4.353 1.00 15.53 C ATOM 1284 CG1 VAL A 80 -2.120 6.422 3.077 1.00 31.23 C ATOM 1285 CG2 VAL A 80 -0.166 5.909 4.622 1.00 0.05 C ATOM 0 H VAL A 80 -4.189 5.170 4.618 1.00 72.31 H new ATOM 0 HA VAL A 80 -2.013 5.686 6.485 1.00 51.02 H new ATOM 0 HB VAL A 80 -1.818 4.624 4.175 1.00 15.53 H new ATOM 0 HG11 VAL A 80 -1.475 6.137 2.246 1.00 31.23 H new ATOM 0 HG12 VAL A 80 -3.150 6.150 2.846 1.00 31.23 H new ATOM 0 HG13 VAL A 80 -2.056 7.499 3.234 1.00 31.23 H new ATOM 0 HG21 VAL A 80 0.405 5.650 3.730 1.00 0.05 H new ATOM 0 HG22 VAL A 80 0.009 6.955 4.874 1.00 0.05 H new ATOM 0 HG23 VAL A 80 0.151 5.278 5.452 1.00 0.05 H new ATOM 1295 N GLU A 81 -3.929 8.100 5.366 1.00 64.12 N ATOM 1296 CA GLU A 81 -4.283 9.526 5.572 1.00 64.14 C ATOM 1297 C GLU A 81 -4.448 9.827 7.073 1.00 62.42 C ATOM 1298 O GLU A 81 -3.907 10.821 7.572 1.00 64.33 O ATOM 1299 CB GLU A 81 -5.587 9.943 4.819 1.00 33.13 C ATOM 1300 CG GLU A 81 -5.585 9.764 3.278 1.00 73.41 C ATOM 1301 CD GLU A 81 -4.381 10.388 2.546 1.00 22.52 C ATOM 1302 OE1 GLU A 81 -4.251 11.634 2.544 1.00 44.34 O ATOM 1303 OE2 GLU A 81 -3.560 9.637 1.960 1.00 51.21 O ATOM 0 H GLU A 81 -4.652 7.559 4.891 1.00 64.12 H new ATOM 0 HA GLU A 81 -3.461 10.109 5.158 1.00 64.14 H new ATOM 0 HB2 GLU A 81 -6.416 9.366 5.228 1.00 33.13 H new ATOM 0 HB3 GLU A 81 -5.788 10.991 5.040 1.00 33.13 H new ATOM 0 HG2 GLU A 81 -5.614 8.698 3.052 1.00 73.41 H new ATOM 0 HG3 GLU A 81 -6.500 10.200 2.877 1.00 73.41 H new ATOM 1310 N GLN A 82 -5.198 8.955 7.781 1.00 21.13 N ATOM 1311 CA GLN A 82 -5.438 9.113 9.234 1.00 22.11 C ATOM 1312 C GLN A 82 -4.146 8.864 10.034 1.00 75.22 C ATOM 1313 O GLN A 82 -3.930 9.478 11.074 1.00 15.12 O ATOM 1314 CB GLN A 82 -6.591 8.191 9.736 1.00 43.24 C ATOM 1315 CG GLN A 82 -6.310 6.672 9.646 1.00 74.22 C ATOM 1316 CD GLN A 82 -7.401 5.761 10.234 1.00 15.22 C ATOM 1317 OE1 GLN A 82 -7.106 4.682 10.757 1.00 52.51 O ATOM 1318 NE2 GLN A 82 -8.663 6.159 10.130 1.00 1.44 N ATOM 0 H GLN A 82 -5.647 8.136 7.372 1.00 21.13 H new ATOM 0 HA GLN A 82 -5.752 10.143 9.401 1.00 22.11 H new ATOM 0 HB2 GLN A 82 -6.809 8.442 10.774 1.00 43.24 H new ATOM 0 HB3 GLN A 82 -7.489 8.413 9.159 1.00 43.24 H new ATOM 0 HG2 GLN A 82 -6.167 6.408 8.598 1.00 74.22 H new ATOM 0 HG3 GLN A 82 -5.371 6.463 10.159 1.00 74.22 H new ATOM 0 HE21 GLN A 82 -8.881 7.055 9.694 1.00 1.44 H new ATOM 0 HE22 GLN A 82 -9.415 5.569 10.486 1.00 1.44 H new ATOM 1327 N LEU A 83 -3.277 7.971 9.520 1.00 13.31 N ATOM 1328 CA LEU A 83 -1.986 7.661 10.157 1.00 3.53 C ATOM 1329 C LEU A 83 -0.971 8.783 9.914 1.00 14.24 C ATOM 1330 O LEU A 83 -0.103 8.996 10.743 1.00 52.40 O ATOM 1331 CB LEU A 83 -1.439 6.293 9.686 1.00 25.43 C ATOM 1332 CG LEU A 83 -2.216 5.033 10.193 1.00 60.13 C ATOM 1333 CD1 LEU A 83 -1.656 3.752 9.558 1.00 4.41 C ATOM 1334 CD2 LEU A 83 -2.199 4.936 11.738 1.00 63.21 C ATOM 0 H LEU A 83 -3.450 7.450 8.660 1.00 13.31 H new ATOM 0 HA LEU A 83 -2.153 7.591 11.232 1.00 3.53 H new ATOM 0 HB2 LEU A 83 -1.437 6.280 8.596 1.00 25.43 H new ATOM 0 HB3 LEU A 83 -0.401 6.209 10.007 1.00 25.43 H new ATOM 0 HG LEU A 83 -3.255 5.142 9.883 1.00 60.13 H new ATOM 0 HD11 LEU A 83 -2.212 2.890 9.926 1.00 4.41 H new ATOM 0 HD12 LEU A 83 -1.753 3.811 8.474 1.00 4.41 H new ATOM 0 HD13 LEU A 83 -0.604 3.645 9.823 1.00 4.41 H new ATOM 0 HD21 LEU A 83 -2.748 4.049 12.053 1.00 63.21 H new ATOM 0 HD22 LEU A 83 -1.169 4.868 12.087 1.00 63.21 H new ATOM 0 HD23 LEU A 83 -2.668 5.823 12.163 1.00 63.21 H new ATOM 1346 N LYS A 84 -1.089 9.493 8.776 1.00 74.52 N ATOM 1347 CA LYS A 84 -0.326 10.753 8.545 1.00 64.20 C ATOM 1348 C LYS A 84 -0.843 11.877 9.451 1.00 14.33 C ATOM 1349 O LYS A 84 -0.097 12.778 9.797 1.00 60.34 O ATOM 1350 CB LYS A 84 -0.381 11.223 7.064 1.00 24.13 C ATOM 1351 CG LYS A 84 0.454 10.380 6.080 1.00 73.20 C ATOM 1352 CD LYS A 84 0.343 10.871 4.625 1.00 74.33 C ATOM 1353 CE LYS A 84 -1.092 10.786 4.102 1.00 43.53 C ATOM 1354 NZ LYS A 84 -1.222 11.337 2.745 1.00 60.52 N ATOM 0 H LYS A 84 -1.698 9.226 8.003 1.00 74.52 H new ATOM 0 HA LYS A 84 0.713 10.530 8.788 1.00 64.20 H new ATOM 0 HB2 LYS A 84 -1.420 11.215 6.735 1.00 24.13 H new ATOM 0 HB3 LYS A 84 -0.039 12.257 7.014 1.00 24.13 H new ATOM 0 HG2 LYS A 84 1.500 10.403 6.387 1.00 73.20 H new ATOM 0 HG3 LYS A 84 0.129 9.341 6.133 1.00 73.20 H new ATOM 0 HD2 LYS A 84 0.692 11.902 4.562 1.00 74.33 H new ATOM 0 HD3 LYS A 84 0.997 10.274 3.989 1.00 74.33 H new ATOM 0 HE2 LYS A 84 -1.416 9.745 4.102 1.00 43.53 H new ATOM 0 HE3 LYS A 84 -1.756 11.327 4.777 1.00 43.53 H new ATOM 0 HZ1 LYS A 84 -2.166 11.759 2.631 1.00 60.52 H new ATOM 0 HZ2 LYS A 84 -0.496 12.067 2.596 1.00 60.52 H new ATOM 0 HZ3 LYS A 84 -1.096 10.576 2.048 1.00 60.52 H new ATOM 1368 N ALA A 85 -2.128 11.816 9.824 1.00 11.03 N ATOM 1369 CA ALA A 85 -2.719 12.795 10.747 1.00 1.01 C ATOM 1370 C ALA A 85 -2.195 12.574 12.181 1.00 70.33 C ATOM 1371 O ALA A 85 -2.070 13.526 12.954 1.00 10.41 O ATOM 1372 CB ALA A 85 -4.249 12.720 10.680 1.00 53.31 C ATOM 0 H ALA A 85 -2.778 11.100 9.501 1.00 11.03 H new ATOM 0 HA ALA A 85 -2.420 13.799 10.446 1.00 1.01 H new ATOM 0 HB1 ALA A 85 -4.679 13.449 11.367 1.00 53.31 H new ATOM 0 HB2 ALA A 85 -4.580 12.939 9.665 1.00 53.31 H new ATOM 0 HB3 ALA A 85 -4.577 11.719 10.961 1.00 53.31 H new ATOM 1378 N GLU A 86 -1.894 11.306 12.521 1.00 40.21 N ATOM 1379 CA GLU A 86 -1.349 10.934 13.845 1.00 40.23 C ATOM 1380 C GLU A 86 0.191 11.067 13.897 1.00 74.41 C ATOM 1381 O GLU A 86 0.755 11.489 14.915 1.00 5.14 O ATOM 1382 CB GLU A 86 -1.784 9.486 14.210 1.00 63.42 C ATOM 1383 CG GLU A 86 -3.310 9.243 14.180 1.00 15.14 C ATOM 1384 CD GLU A 86 -4.120 10.240 15.037 1.00 25.22 C ATOM 1385 OE1 GLU A 86 -4.197 10.053 16.272 1.00 5.30 O ATOM 1386 OE2 GLU A 86 -4.687 11.210 14.484 1.00 22.53 O ATOM 0 H GLU A 86 -2.020 10.514 11.891 1.00 40.21 H new ATOM 0 HA GLU A 86 -1.756 11.629 14.579 1.00 40.23 H new ATOM 0 HB2 GLU A 86 -1.306 8.792 13.518 1.00 63.42 H new ATOM 0 HB3 GLU A 86 -1.412 9.250 15.207 1.00 63.42 H new ATOM 0 HG2 GLU A 86 -3.657 9.301 13.148 1.00 15.14 H new ATOM 0 HG3 GLU A 86 -3.514 8.231 14.529 1.00 15.14 H new ATOM 1393 N SER A 87 0.851 10.702 12.789 1.00 50.52 N ATOM 1394 CA SER A 87 2.326 10.618 12.697 1.00 21.24 C ATOM 1395 C SER A 87 2.945 11.956 12.252 1.00 74.31 C ATOM 1396 O SER A 87 3.889 12.457 12.881 1.00 43.43 O ATOM 1397 CB SER A 87 2.724 9.490 11.720 1.00 40.24 C ATOM 1398 OG SER A 87 4.127 9.345 11.626 1.00 2.41 O ATOM 0 H SER A 87 0.377 10.453 11.921 1.00 50.52 H new ATOM 0 HA SER A 87 2.715 10.392 13.690 1.00 21.24 H new ATOM 0 HB2 SER A 87 2.283 8.550 12.052 1.00 40.24 H new ATOM 0 HB3 SER A 87 2.314 9.703 10.733 1.00 40.24 H new ATOM 0 HG SER A 87 4.374 9.142 10.700 1.00 2.41 H new ATOM 1404 N ALA A 88 2.420 12.509 11.155 1.00 61.01 N ATOM 1405 CA ALA A 88 2.936 13.747 10.534 1.00 10.44 C ATOM 1406 C ALA A 88 2.138 14.971 11.002 1.00 74.21 C ATOM 1407 O ALA A 88 0.928 14.875 11.238 1.00 21.43 O ATOM 1408 CB ALA A 88 2.863 13.598 9.004 1.00 52.24 C ATOM 0 H ALA A 88 1.619 12.112 10.664 1.00 61.01 H new ATOM 0 HA ALA A 88 3.971 13.901 10.838 1.00 10.44 H new ATOM 0 HB1 ALA A 88 3.241 14.505 8.532 1.00 52.24 H new ATOM 0 HB2 ALA A 88 3.468 12.747 8.692 1.00 52.24 H new ATOM 0 HB3 ALA A 88 1.828 13.436 8.703 1.00 52.24 H new ATOM 1414 N LEU A 89 2.818 16.125 11.154 1.00 31.45 N ATOM 1415 CA LEU A 89 2.140 17.403 11.482 1.00 44.24 C ATOM 1416 C LEU A 89 1.552 18.053 10.211 1.00 62.03 C ATOM 1417 O LEU A 89 0.754 18.996 10.303 1.00 24.20 O ATOM 1418 CB LEU A 89 3.085 18.400 12.221 1.00 4.01 C ATOM 1419 CG LEU A 89 4.176 19.157 11.387 1.00 73.21 C ATOM 1420 CD1 LEU A 89 4.839 20.256 12.238 1.00 31.00 C ATOM 1421 CD2 LEU A 89 5.243 18.200 10.833 1.00 71.22 C ATOM 0 H LEU A 89 3.830 16.202 11.056 1.00 31.45 H new ATOM 0 HA LEU A 89 1.324 17.165 12.165 1.00 44.24 H new ATOM 0 HB2 LEU A 89 2.461 19.150 12.707 1.00 4.01 H new ATOM 0 HB3 LEU A 89 3.595 17.849 13.011 1.00 4.01 H new ATOM 0 HG LEU A 89 3.672 19.617 10.537 1.00 73.21 H new ATOM 0 HD11 LEU A 89 5.593 20.771 11.643 1.00 31.00 H new ATOM 0 HD12 LEU A 89 4.083 20.971 12.563 1.00 31.00 H new ATOM 0 HD13 LEU A 89 5.311 19.805 13.111 1.00 31.00 H new ATOM 0 HD21 LEU A 89 5.979 18.767 10.262 1.00 71.22 H new ATOM 0 HD22 LEU A 89 5.739 17.690 11.659 1.00 71.22 H new ATOM 0 HD23 LEU A 89 4.769 17.463 10.184 1.00 71.22 H new ATOM 1433 N GLU A 90 1.970 17.543 9.030 1.00 3.12 N ATOM 1434 CA GLU A 90 1.536 18.050 7.720 1.00 23.02 C ATOM 1435 C GLU A 90 0.138 17.473 7.367 1.00 55.42 C ATOM 1436 O GLU A 90 -0.862 18.221 7.417 1.00 2.51 O ATOM 1437 CB GLU A 90 2.579 17.669 6.630 1.00 61.22 C ATOM 1438 CG GLU A 90 4.011 18.167 6.896 1.00 61.44 C ATOM 1439 CD GLU A 90 5.009 17.669 5.828 1.00 4.22 C ATOM 1440 OE1 GLU A 90 5.102 18.292 4.752 1.00 15.15 O ATOM 1441 OE2 GLU A 90 5.671 16.632 6.043 1.00 2.03 O ATOM 1442 OXT GLU A 90 0.047 16.261 7.071 1.00 37.81 O ATOM 0 H GLU A 90 2.623 16.762 8.965 1.00 3.12 H new ATOM 0 HA GLU A 90 1.462 19.137 7.762 1.00 23.02 H new ATOM 0 HB2 GLU A 90 2.600 16.584 6.533 1.00 61.22 H new ATOM 0 HB3 GLU A 90 2.244 18.068 5.673 1.00 61.22 H new ATOM 0 HG2 GLU A 90 4.017 19.257 6.916 1.00 61.44 H new ATOM 0 HG3 GLU A 90 4.335 17.828 7.880 1.00 61.44 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.102 -13.094 8.093 1.00 31.51 P HETATM 1451 O25 4EM A 101 1.572 -14.368 7.547 1.00 73.31 O HETATM 1452 O26 4EM A 101 3.413 -13.180 8.781 1.00 60.34 O HETATM 1453 O27 4EM A 101 1.001 -12.429 9.055 1.00 54.52 O HETATM 1454 C28 4EM A 101 1.246 -11.171 9.709 1.00 52.21 C HETATM 1455 C29 4EM A 101 0.131 -10.815 10.697 1.00 71.43 C HETATM 1456 C30 4EM A 101 -1.207 -10.830 9.949 1.00 42.13 C HETATM 1457 C31 4EM A 101 0.375 -9.395 11.214 1.00 72.24 C HETATM 1458 C32 4EM A 101 0.067 -11.766 11.902 1.00 12.31 C HETATM 1459 O33 4EM A 101 -1.041 -11.381 12.754 1.00 11.13 O HETATM 1460 C34 4EM A 101 -0.107 -13.271 11.572 1.00 32.32 C HETATM 1461 O35 4EM A 101 0.878 -14.021 11.588 1.00 44.11 O HETATM 1462 N36 4EM A 101 -1.343 -13.719 11.326 1.00 32.03 N HETATM 1463 C37 4EM A 101 -1.685 -15.124 11.006 1.00 12.52 C HETATM 1464 C38 4EM A 101 -2.520 -15.277 9.727 1.00 3.22 C HETATM 1465 C39 4EM A 101 -3.872 -14.565 9.777 1.00 50.35 C HETATM 1466 O40 4EM A 101 -4.696 -14.849 10.650 1.00 63.23 O HETATM 1467 N41 4EM A 101 -4.105 -13.636 8.838 1.00 4.34 N HETATM 1468 C42 4EM A 101 -5.353 -12.854 8.720 1.00 40.42 C HETATM 1469 C43 4EM A 101 -5.187 -11.429 9.232 1.00 75.43 C HETATM 1470 N44 4EM A 101 -4.223 -10.829 8.522 1.00 33.03 N HETATM 1471 C45 4EM A 101 -4.399 -9.686 7.840 1.00 74.11 C HETATM 1472 O46 4EM A 101 -5.460 -9.064 7.781 1.00 34.32 O HETATM 1473 C47 4EM A 101 -3.306 -9.276 7.200 1.00 43.13 C HETATM 1474 C49 4EM A 101 -3.088 -8.037 6.764 1.00 41.33 C HETATM 1475 C51 4EM A 101 -1.852 -8.021 6.277 1.00 43.11 C HETATM 1476 C50 4EM A 101 -1.325 -9.228 6.414 1.00 72.35 C HETATM 1477 N48 4EM A 101 -2.224 -10.015 6.996 1.00 31.33 N