USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ 140:sc= 0.445 (180deg=0) USER MOD Set 1.2: A 34 THR OG1 : rot 59:sc= 0.445 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -50:sc= 0.494 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 168:sc= 0.0848 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.107 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.46 K(o=-0.46,f=-3.7!) USER MOD Single : A 30 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -2.01! (180deg=-3.92!) USER MOD Single : A 48 MET CE :methyl -143:sc= -0.636 (180deg=-2.09!) USER MOD Single : A 52 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.05) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 77:sc= 0.753 USER MOD Single : A 69 SER OG : rot 92:sc= 0.0677 USER MOD Single : A 70 MET CE :methyl 160:sc= -5.17! (180deg=-6.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.944 19.884 -5.891 1.00 0.00 N ATOM 2 CA MET A 1 -4.730 20.324 -4.703 1.00 0.00 C ATOM 3 C MET A 1 -5.652 21.478 -5.100 1.00 0.00 C ATOM 4 O MET A 1 -5.323 22.635 -4.931 1.00 0.00 O ATOM 5 CB MET A 1 -3.773 20.792 -3.603 1.00 0.00 C ATOM 6 CG MET A 1 -4.494 20.770 -2.255 1.00 0.00 C ATOM 7 SD MET A 1 -3.620 19.662 -1.122 1.00 0.00 S ATOM 8 CE MET A 1 -4.481 18.139 -1.584 1.00 0.00 C ATOM 0 H1 MET A 1 -3.317 19.099 -5.621 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.593 19.567 -6.639 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.372 20.678 -6.243 1.00 0.00 H new ATOM 0 HA MET A 1 -5.328 19.491 -4.335 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.897 20.145 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.417 21.799 -3.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.537 21.776 -1.837 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.523 20.436 -2.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.092 17.308 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.548 18.252 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.322 17.938 -2.644 1.00 0.00 H new ATOM 20 N THR A 2 -6.805 21.173 -5.629 1.00 0.00 N ATOM 21 CA THR A 2 -7.745 22.255 -6.036 1.00 0.00 C ATOM 22 C THR A 2 -9.182 21.827 -5.732 1.00 0.00 C ATOM 23 O THR A 2 -9.948 22.565 -5.145 1.00 0.00 O ATOM 24 CB THR A 2 -7.597 22.520 -7.537 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.102 21.351 -8.176 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.620 23.677 -7.758 1.00 0.00 C ATOM 0 H THR A 2 -7.136 20.223 -5.797 1.00 0.00 H new ATOM 0 HA THR A 2 -7.514 23.164 -5.481 1.00 0.00 H new ATOM 0 HB THR A 2 -8.568 22.781 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.008 21.518 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.515 23.865 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.000 24.573 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.648 23.418 -7.338 1.00 0.00 H new ATOM 34 N PHE A 3 -9.555 20.639 -6.123 1.00 0.00 N ATOM 35 CA PHE A 3 -10.942 20.168 -5.851 1.00 0.00 C ATOM 36 C PHE A 3 -10.930 18.658 -5.602 1.00 0.00 C ATOM 37 O PHE A 3 -11.837 17.948 -5.988 1.00 0.00 O ATOM 38 CB PHE A 3 -11.833 20.479 -7.059 1.00 0.00 C ATOM 39 CG PHE A 3 -13.295 20.324 -6.688 1.00 0.00 C ATOM 40 CD1 PHE A 3 -13.667 19.942 -5.389 1.00 0.00 C ATOM 41 CD2 PHE A 3 -14.283 20.565 -7.651 1.00 0.00 C ATOM 42 CE1 PHE A 3 -15.020 19.803 -5.058 1.00 0.00 C ATOM 43 CE2 PHE A 3 -15.637 20.425 -7.319 1.00 0.00 C ATOM 44 CZ PHE A 3 -16.005 20.045 -6.023 1.00 0.00 C ATOM 0 H PHE A 3 -8.960 19.975 -6.618 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.332 20.678 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.645 21.495 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.587 19.809 -7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.908 19.755 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.001 20.859 -8.651 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.304 19.509 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -16.397 20.610 -8.063 1.00 0.00 H new ATOM 0 HZ PHE A 3 -17.049 19.938 -5.767 1.00 0.00 H new ATOM 54 N ILE A 4 -9.909 18.162 -4.958 1.00 0.00 N ATOM 55 CA ILE A 4 -9.840 16.699 -4.684 1.00 0.00 C ATOM 56 C ILE A 4 -9.339 16.470 -3.258 1.00 0.00 C ATOM 57 O ILE A 4 -8.151 16.421 -3.006 1.00 0.00 O ATOM 58 CB ILE A 4 -8.879 16.037 -5.674 1.00 0.00 C ATOM 59 CG1 ILE A 4 -7.550 16.797 -5.681 1.00 0.00 C ATOM 60 CG2 ILE A 4 -9.490 16.066 -7.076 1.00 0.00 C ATOM 61 CD1 ILE A 4 -6.436 15.880 -5.171 1.00 0.00 C ATOM 0 H ILE A 4 -9.120 18.707 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.833 16.263 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.705 15.003 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.320 17.140 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.623 17.684 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.805 15.594 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.436 15.525 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.664 17.099 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.489 16.420 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.666 15.559 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.359 15.007 -5.819 1.00 0.00 H new ATOM 73 N THR A 5 -10.235 16.330 -2.320 1.00 0.00 N ATOM 74 CA THR A 5 -9.812 16.104 -0.910 1.00 0.00 C ATOM 75 C THR A 5 -10.460 14.822 -0.386 1.00 0.00 C ATOM 76 O THR A 5 -11.015 14.792 0.695 1.00 0.00 O ATOM 77 CB THR A 5 -10.257 17.288 -0.049 1.00 0.00 C ATOM 78 OG1 THR A 5 -9.762 17.123 1.272 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.785 17.353 -0.021 1.00 0.00 C ATOM 0 H THR A 5 -11.243 16.363 -2.470 1.00 0.00 H new ATOM 0 HA THR A 5 -8.727 16.009 -0.865 1.00 0.00 H new ATOM 0 HB THR A 5 -9.864 18.213 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.978 16.222 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.102 18.196 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.162 17.480 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.181 16.429 0.400 1.00 0.00 H new ATOM 87 N LYS A 6 -10.396 13.761 -1.142 1.00 0.00 N ATOM 88 CA LYS A 6 -11.010 12.482 -0.686 1.00 0.00 C ATOM 89 C LYS A 6 -10.141 11.306 -1.132 1.00 0.00 C ATOM 90 O LYS A 6 -10.248 10.831 -2.245 1.00 0.00 O ATOM 91 CB LYS A 6 -12.407 12.343 -1.295 1.00 0.00 C ATOM 92 CG LYS A 6 -13.403 11.947 -0.203 1.00 0.00 C ATOM 93 CD LYS A 6 -13.206 10.475 0.163 1.00 0.00 C ATOM 94 CE LYS A 6 -14.169 9.610 -0.653 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.229 8.242 -0.066 1.00 0.00 N ATOM 0 H LYS A 6 -9.945 13.724 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.084 12.484 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.710 13.284 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.398 11.591 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.260 12.573 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.423 12.112 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.177 10.176 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.383 10.328 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.162 10.059 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.838 9.558 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.884 7.655 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.281 7.815 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.564 8.300 0.917 1.00 0.00 H new ATOM 109 N THR A 7 -9.285 10.829 -0.272 1.00 0.00 N ATOM 110 CA THR A 7 -8.415 9.681 -0.648 1.00 0.00 C ATOM 111 C THR A 7 -8.556 8.575 0.406 1.00 0.00 C ATOM 112 O THR A 7 -8.621 8.855 1.586 1.00 0.00 O ATOM 113 CB THR A 7 -6.955 10.144 -0.713 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.716 11.096 0.314 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.680 10.779 -2.077 1.00 0.00 C ATOM 0 H THR A 7 -9.151 11.185 0.675 1.00 0.00 H new ATOM 0 HA THR A 7 -8.715 9.298 -1.623 1.00 0.00 H new ATOM 0 HB THR A 7 -6.295 9.288 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.752 11.252 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.642 11.108 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.863 10.046 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.339 11.636 -2.219 1.00 0.00 H new ATOM 123 N PRO A 8 -8.602 7.349 -0.053 1.00 0.00 N ATOM 124 CA PRO A 8 -8.739 6.178 0.831 1.00 0.00 C ATOM 125 C PRO A 8 -7.393 5.847 1.487 1.00 0.00 C ATOM 126 O PRO A 8 -6.388 6.453 1.172 1.00 0.00 O ATOM 127 CB PRO A 8 -9.174 5.060 -0.122 1.00 0.00 C ATOM 128 CG PRO A 8 -8.719 5.490 -1.537 1.00 0.00 C ATOM 129 CD PRO A 8 -8.521 7.017 -1.490 1.00 0.00 C ATOM 0 HA PRO A 8 -9.445 6.333 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.719 4.110 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.254 4.919 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.793 4.988 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.466 5.219 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.559 7.307 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.290 7.536 -2.063 1.00 0.00 H new ATOM 137 N PRO A 9 -7.417 4.892 2.380 1.00 0.00 N ATOM 138 CA PRO A 9 -6.209 4.454 3.100 1.00 0.00 C ATOM 139 C PRO A 9 -5.346 3.566 2.201 1.00 0.00 C ATOM 140 O PRO A 9 -5.768 3.140 1.145 1.00 0.00 O ATOM 141 CB PRO A 9 -6.765 3.662 4.286 1.00 0.00 C ATOM 142 CG PRO A 9 -8.190 3.213 3.882 1.00 0.00 C ATOM 143 CD PRO A 9 -8.645 4.160 2.755 1.00 0.00 C ATOM 0 HA PRO A 9 -5.570 5.280 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.135 2.801 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.792 4.277 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.188 2.178 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.870 3.268 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.053 3.606 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.425 4.840 3.097 1.00 0.00 H new ATOM 151 N ALA A 10 -4.140 3.285 2.609 1.00 0.00 N ATOM 152 CA ALA A 10 -3.252 2.428 1.774 1.00 0.00 C ATOM 153 C ALA A 10 -3.540 0.955 2.074 1.00 0.00 C ATOM 154 O ALA A 10 -3.094 0.069 1.372 1.00 0.00 O ATOM 155 CB ALA A 10 -1.791 2.739 2.100 1.00 0.00 C ATOM 0 H ALA A 10 -3.731 3.611 3.484 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.439 2.628 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.141 2.112 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.586 3.789 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.603 2.538 3.155 1.00 0.00 H new ATOM 161 N ALA A 11 -4.281 0.687 3.115 1.00 0.00 N ATOM 162 CA ALA A 11 -4.596 -0.726 3.462 1.00 0.00 C ATOM 163 C ALA A 11 -5.793 -1.206 2.637 1.00 0.00 C ATOM 164 O ALA A 11 -6.267 -2.312 2.803 1.00 0.00 O ATOM 165 CB ALA A 11 -4.933 -0.819 4.952 1.00 0.00 C ATOM 0 H ALA A 11 -4.681 1.387 3.740 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.733 -1.354 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.164 -1.853 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.080 -0.481 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.796 -0.189 5.170 1.00 0.00 H new ATOM 171 N VAL A 12 -6.288 -0.383 1.752 1.00 0.00 N ATOM 172 CA VAL A 12 -7.453 -0.796 0.926 1.00 0.00 C ATOM 173 C VAL A 12 -7.046 -0.850 -0.550 1.00 0.00 C ATOM 174 O VAL A 12 -7.469 -1.718 -1.288 1.00 0.00 O ATOM 175 CB VAL A 12 -8.587 0.216 1.117 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.303 1.481 0.302 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.901 -0.407 0.650 1.00 0.00 C ATOM 0 H VAL A 12 -5.935 0.556 1.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.791 -1.785 1.236 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.659 0.482 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.114 2.195 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.366 1.926 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.227 1.224 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.711 0.310 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.823 -0.674 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.108 -1.302 1.236 1.00 0.00 H new ATOM 187 N LEU A 13 -6.232 0.072 -0.986 1.00 0.00 N ATOM 188 CA LEU A 13 -5.804 0.072 -2.414 1.00 0.00 C ATOM 189 C LEU A 13 -4.561 -0.802 -2.581 1.00 0.00 C ATOM 190 O LEU A 13 -4.437 -1.538 -3.538 1.00 0.00 O ATOM 191 CB LEU A 13 -5.484 1.502 -2.854 1.00 0.00 C ATOM 192 CG LEU A 13 -6.779 2.306 -2.961 1.00 0.00 C ATOM 193 CD1 LEU A 13 -6.459 3.730 -3.421 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.710 1.640 -3.978 1.00 0.00 C ATOM 0 H LEU A 13 -5.845 0.824 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.611 -0.326 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.810 1.972 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.970 1.491 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.267 2.339 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.383 4.304 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.795 4.205 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.971 3.697 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.634 2.213 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.221 1.607 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.938 0.625 -3.652 1.00 0.00 H new ATOM 206 N LEU A 14 -3.638 -0.731 -1.659 1.00 0.00 N ATOM 207 CA LEU A 14 -2.412 -1.567 -1.781 1.00 0.00 C ATOM 208 C LEU A 14 -2.814 -2.989 -2.175 1.00 0.00 C ATOM 209 O LEU A 14 -2.532 -3.447 -3.264 1.00 0.00 O ATOM 210 CB LEU A 14 -1.671 -1.595 -0.441 1.00 0.00 C ATOM 211 CG LEU A 14 -0.869 -0.303 -0.273 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.311 -0.229 1.151 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.288 -0.289 -1.274 1.00 0.00 C ATOM 0 H LEU A 14 -3.680 -0.134 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.756 -1.146 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.383 -1.703 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.005 -2.457 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.518 0.554 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.260 0.692 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.134 -0.240 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.339 -1.085 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.860 0.631 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.937 -1.146 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.108 -0.342 -2.288 1.00 0.00 H new ATOM 225 N LYS A 15 -3.478 -3.688 -1.297 1.00 0.00 N ATOM 226 CA LYS A 15 -3.908 -5.078 -1.620 1.00 0.00 C ATOM 227 C LYS A 15 -4.478 -5.126 -3.040 1.00 0.00 C ATOM 228 O LYS A 15 -4.217 -6.043 -3.792 1.00 0.00 O ATOM 229 CB LYS A 15 -4.987 -5.515 -0.628 1.00 0.00 C ATOM 230 CG LYS A 15 -4.359 -6.385 0.461 1.00 0.00 C ATOM 231 CD LYS A 15 -5.222 -7.628 0.684 1.00 0.00 C ATOM 232 CE LYS A 15 -6.247 -7.348 1.785 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.366 -8.542 2.667 1.00 0.00 N ATOM 0 H LYS A 15 -3.742 -3.357 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.050 -5.747 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.460 -4.641 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.768 -6.071 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.350 -6.678 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.272 -5.819 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.731 -7.901 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.594 -8.474 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.941 -6.480 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.215 -7.110 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.063 -8.353 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.676 -9.360 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.442 -8.749 3.098 1.00 0.00 H new ATOM 247 N LYS A 16 -5.260 -4.147 -3.412 1.00 0.00 N ATOM 248 CA LYS A 16 -5.851 -4.144 -4.781 1.00 0.00 C ATOM 249 C LYS A 16 -4.738 -4.267 -5.825 1.00 0.00 C ATOM 250 O LYS A 16 -4.823 -5.054 -6.747 1.00 0.00 O ATOM 251 CB LYS A 16 -6.623 -2.842 -5.005 1.00 0.00 C ATOM 252 CG LYS A 16 -8.123 -3.100 -4.844 1.00 0.00 C ATOM 253 CD LYS A 16 -8.800 -3.065 -6.216 1.00 0.00 C ATOM 254 CE LYS A 16 -9.394 -4.440 -6.529 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.849 -4.437 -6.204 1.00 0.00 N ATOM 0 H LYS A 16 -5.514 -3.351 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.532 -4.990 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.295 -2.086 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.416 -2.451 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.287 -4.068 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.564 -2.347 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.584 -2.308 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.077 -2.787 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.246 -4.681 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.883 -5.209 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.254 -5.371 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.979 -4.225 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.331 -3.713 -6.775 1.00 0.00 H new ATOM 269 N ALA A 17 -3.696 -3.493 -5.693 1.00 0.00 N ATOM 270 CA ALA A 17 -2.583 -3.568 -6.682 1.00 0.00 C ATOM 271 C ALA A 17 -1.999 -4.983 -6.688 1.00 0.00 C ATOM 272 O ALA A 17 -1.703 -5.538 -7.727 1.00 0.00 O ATOM 273 CB ALA A 17 -1.491 -2.568 -6.300 1.00 0.00 C ATOM 0 H ALA A 17 -3.567 -2.813 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.964 -3.328 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.678 -2.623 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.906 -1.560 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.110 -2.807 -5.307 1.00 0.00 H new ATOM 279 N ALA A 18 -1.829 -5.569 -5.535 1.00 0.00 N ATOM 280 CA ALA A 18 -1.262 -6.947 -5.474 1.00 0.00 C ATOM 281 C ALA A 18 -2.117 -7.891 -6.321 1.00 0.00 C ATOM 282 O ALA A 18 -1.637 -8.521 -7.242 1.00 0.00 O ATOM 283 CB ALA A 18 -1.257 -7.433 -4.023 1.00 0.00 C ATOM 0 H ALA A 18 -2.058 -5.154 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.242 -6.935 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.843 -8.440 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.648 -6.763 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.277 -7.443 -3.639 1.00 0.00 H new ATOM 289 N GLY A 19 -3.381 -7.998 -6.013 1.00 0.00 N ATOM 290 CA GLY A 19 -4.265 -8.906 -6.797 1.00 0.00 C ATOM 291 C GLY A 19 -4.802 -10.005 -5.879 1.00 0.00 C ATOM 292 O GLY A 19 -5.149 -11.082 -6.320 1.00 0.00 O ATOM 0 H GLY A 19 -3.839 -7.496 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.091 -8.343 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.710 -9.347 -7.625 1.00 0.00 H new ATOM 296 N ILE A 20 -4.871 -9.741 -4.603 1.00 0.00 N ATOM 297 CA ILE A 20 -5.384 -10.768 -3.654 1.00 0.00 C ATOM 298 C ILE A 20 -6.888 -10.568 -3.457 1.00 0.00 C ATOM 299 O ILE A 20 -7.338 -9.505 -3.075 1.00 0.00 O ATOM 300 CB ILE A 20 -4.667 -10.622 -2.310 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.163 -10.467 -2.549 1.00 0.00 C ATOM 302 CG2 ILE A 20 -4.921 -11.868 -1.458 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.644 -9.253 -1.775 1.00 0.00 C ATOM 0 H ILE A 20 -4.594 -8.857 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.199 -11.764 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.046 -9.742 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.639 -11.367 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.964 -10.345 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.410 -11.764 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.992 -11.980 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.542 -12.748 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.573 -9.143 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.160 -8.356 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.829 -9.394 -0.710 1.00 0.00 H new ATOM 315 N GLU A 21 -7.671 -11.579 -3.718 1.00 0.00 N ATOM 316 CA GLU A 21 -9.145 -11.442 -3.549 1.00 0.00 C ATOM 317 C GLU A 21 -9.571 -12.066 -2.219 1.00 0.00 C ATOM 318 O GLU A 21 -9.751 -11.382 -1.230 1.00 0.00 O ATOM 319 CB GLU A 21 -9.860 -12.156 -4.698 1.00 0.00 C ATOM 320 CG GLU A 21 -10.004 -11.200 -5.883 1.00 0.00 C ATOM 321 CD GLU A 21 -11.401 -10.577 -5.869 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.676 -9.806 -4.963 1.00 0.00 O ATOM 323 OE2 GLU A 21 -12.173 -10.880 -6.764 1.00 0.00 O ATOM 0 H GLU A 21 -7.354 -12.493 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.411 -10.385 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.297 -13.040 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.842 -12.499 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.245 -10.419 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.843 -11.736 -6.818 1.00 0.00 H new ATOM 330 N SER A 22 -9.734 -13.361 -2.185 1.00 0.00 N ATOM 331 CA SER A 22 -10.150 -14.027 -0.919 1.00 0.00 C ATOM 332 C SER A 22 -10.259 -15.534 -1.150 1.00 0.00 C ATOM 333 O SER A 22 -9.895 -16.331 -0.308 1.00 0.00 O ATOM 334 CB SER A 22 -11.507 -13.479 -0.477 1.00 0.00 C ATOM 335 OG SER A 22 -12.537 -14.129 -1.211 1.00 0.00 O ATOM 0 H SER A 22 -9.597 -13.986 -2.979 1.00 0.00 H new ATOM 0 HA SER A 22 -9.410 -13.830 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.648 -13.642 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.549 -12.403 -0.644 1.00 0.00 H new ATOM 0 HG SER A 22 -13.409 -13.781 -0.929 1.00 0.00 H new ATOM 341 N GLY A 23 -10.756 -15.932 -2.289 1.00 0.00 N ATOM 342 CA GLY A 23 -10.887 -17.388 -2.579 1.00 0.00 C ATOM 343 C GLY A 23 -9.989 -17.749 -3.763 1.00 0.00 C ATOM 344 O GLY A 23 -9.708 -18.906 -4.012 1.00 0.00 O ATOM 0 H GLY A 23 -11.077 -15.311 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.606 -17.972 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.924 -17.634 -2.806 1.00 0.00 H new ATOM 348 N SER A 24 -9.537 -16.769 -4.494 1.00 0.00 N ATOM 349 CA SER A 24 -8.656 -17.053 -5.662 1.00 0.00 C ATOM 350 C SER A 24 -7.213 -16.685 -5.314 1.00 0.00 C ATOM 351 O SER A 24 -6.478 -16.171 -6.133 1.00 0.00 O ATOM 352 CB SER A 24 -9.119 -16.224 -6.861 1.00 0.00 C ATOM 353 OG SER A 24 -8.673 -16.844 -8.060 1.00 0.00 O ATOM 0 H SER A 24 -9.740 -15.782 -4.333 1.00 0.00 H new ATOM 0 HA SER A 24 -8.710 -18.113 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.206 -16.142 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.723 -15.211 -6.792 1.00 0.00 H new ATOM 0 HG SER A 24 -8.969 -16.316 -8.831 1.00 0.00 H new ATOM 359 N GLY A 25 -6.800 -16.944 -4.103 1.00 0.00 N ATOM 360 CA GLY A 25 -5.403 -16.610 -3.704 1.00 0.00 C ATOM 361 C GLY A 25 -4.614 -17.900 -3.477 1.00 0.00 C ATOM 362 O GLY A 25 -3.504 -18.051 -3.945 1.00 0.00 O ATOM 0 H GLY A 25 -7.369 -17.372 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.926 -16.011 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.407 -16.009 -2.795 1.00 0.00 H new ATOM 366 N GLU A 26 -5.181 -18.834 -2.762 1.00 0.00 N ATOM 367 CA GLU A 26 -4.467 -20.116 -2.506 1.00 0.00 C ATOM 368 C GLU A 26 -3.065 -19.827 -1.959 1.00 0.00 C ATOM 369 O GLU A 26 -2.096 -19.871 -2.690 1.00 0.00 O ATOM 370 CB GLU A 26 -4.351 -20.897 -3.816 1.00 0.00 C ATOM 371 CG GLU A 26 -5.747 -21.144 -4.389 1.00 0.00 C ATOM 372 CD GLU A 26 -5.709 -22.350 -5.330 1.00 0.00 C ATOM 373 OE1 GLU A 26 -4.649 -22.937 -5.466 1.00 0.00 O ATOM 374 OE2 GLU A 26 -6.742 -22.668 -5.896 1.00 0.00 O ATOM 0 H GLU A 26 -6.109 -18.764 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.024 -20.702 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.746 -20.340 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.845 -21.846 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.457 -21.323 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.092 -20.261 -4.927 1.00 0.00 H new ATOM 381 N PRO A 27 -3.002 -19.538 -0.684 1.00 0.00 N ATOM 382 CA PRO A 27 -1.733 -19.234 0.000 1.00 0.00 C ATOM 383 C PRO A 27 -0.971 -20.526 0.314 1.00 0.00 C ATOM 384 O PRO A 27 0.145 -20.498 0.794 1.00 0.00 O ATOM 385 CB PRO A 27 -2.179 -18.540 1.290 1.00 0.00 C ATOM 386 CG PRO A 27 -3.639 -18.988 1.543 1.00 0.00 C ATOM 387 CD PRO A 27 -4.189 -19.486 0.192 1.00 0.00 C ATOM 0 HA PRO A 27 -1.059 -18.621 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.536 -18.820 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.117 -17.456 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.677 -19.779 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.238 -18.160 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.656 -20.466 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.947 -18.810 -0.203 1.00 0.00 H new ATOM 395 N ASN A 28 -1.566 -21.658 0.050 1.00 0.00 N ATOM 396 CA ASN A 28 -0.875 -22.947 0.338 1.00 0.00 C ATOM 397 C ASN A 28 -0.440 -23.604 -0.976 1.00 0.00 C ATOM 398 O ASN A 28 0.447 -24.434 -0.999 1.00 0.00 O ATOM 399 CB ASN A 28 -1.827 -23.882 1.087 1.00 0.00 C ATOM 400 CG ASN A 28 -1.101 -24.503 2.282 1.00 0.00 C ATOM 401 OD1 ASN A 28 -0.031 -24.061 2.652 1.00 0.00 O ATOM 402 ND2 ASN A 28 -1.638 -25.515 2.903 1.00 0.00 N ATOM 0 H ASN A 28 -2.499 -21.746 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 28 0.004 -22.755 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.703 -23.329 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.185 -24.665 0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.160 -25.936 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.536 -25.886 2.592 1.00 0.00 H new ATOM 409 N ARG A 29 -1.057 -23.243 -2.067 1.00 0.00 N ATOM 410 CA ARG A 29 -0.674 -23.852 -3.374 1.00 0.00 C ATOM 411 C ARG A 29 0.180 -22.861 -4.169 1.00 0.00 C ATOM 412 O ARG A 29 0.739 -23.194 -5.194 1.00 0.00 O ATOM 413 CB ARG A 29 -1.935 -24.190 -4.173 1.00 0.00 C ATOM 414 CG ARG A 29 -2.430 -25.584 -3.779 1.00 0.00 C ATOM 415 CD ARG A 29 -1.847 -26.623 -4.738 1.00 0.00 C ATOM 416 NE ARG A 29 -2.857 -27.689 -4.990 1.00 0.00 N ATOM 417 CZ ARG A 29 -2.562 -28.701 -5.759 1.00 0.00 C ATOM 418 NH1 ARG A 29 -2.380 -28.516 -7.039 1.00 0.00 N ATOM 419 NH2 ARG A 29 -2.447 -29.896 -5.249 1.00 0.00 N ATOM 0 H ARG A 29 -1.808 -22.554 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.103 -24.763 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.711 -23.449 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.721 -24.157 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.132 -25.811 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.519 -25.617 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.562 -26.148 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.942 -27.058 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.780 -27.628 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.468 -27.581 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.149 -29.307 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.588 -30.039 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.216 -30.687 -5.850 1.00 0.00 H new ATOM 433 N ASN A 30 0.284 -21.647 -3.705 1.00 0.00 N ATOM 434 CA ASN A 30 1.100 -20.639 -4.437 1.00 0.00 C ATOM 435 C ASN A 30 1.969 -19.865 -3.442 1.00 0.00 C ATOM 436 O ASN A 30 2.061 -20.216 -2.283 1.00 0.00 O ATOM 437 CB ASN A 30 0.171 -19.670 -5.171 1.00 0.00 C ATOM 438 CG ASN A 30 -0.377 -20.345 -6.429 1.00 0.00 C ATOM 439 OD1 ASN A 30 0.101 -20.103 -7.520 1.00 0.00 O ATOM 440 ND2 ASN A 30 -1.366 -21.189 -6.325 1.00 0.00 N ATOM 0 H ASN A 30 -0.160 -21.310 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 30 1.742 -21.143 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.650 -19.371 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.712 -18.762 -5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.737 -21.645 -7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.768 -21.393 -5.410 1.00 0.00 H new ATOM 447 N LYS A 31 2.608 -18.817 -3.886 1.00 0.00 N ATOM 448 CA LYS A 31 3.471 -18.026 -2.962 1.00 0.00 C ATOM 449 C LYS A 31 2.680 -16.837 -2.414 1.00 0.00 C ATOM 450 O LYS A 31 1.808 -16.303 -3.070 1.00 0.00 O ATOM 451 CB LYS A 31 4.699 -17.519 -3.720 1.00 0.00 C ATOM 452 CG LYS A 31 4.257 -16.596 -4.858 1.00 0.00 C ATOM 453 CD LYS A 31 5.475 -16.196 -5.693 1.00 0.00 C ATOM 454 CE LYS A 31 5.093 -15.060 -6.644 1.00 0.00 C ATOM 455 NZ LYS A 31 6.194 -14.056 -6.685 1.00 0.00 N ATOM 0 H LYS A 31 2.570 -18.475 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 31 3.791 -18.659 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.362 -16.983 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.265 -18.361 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.523 -17.101 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.773 -15.707 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.288 -15.880 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.837 -17.053 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.908 -15.454 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.168 -14.588 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.322 -13.721 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.953 -13.252 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.076 -14.494 -6.351 1.00 0.00 H new ATOM 469 N VAL A 32 2.979 -16.417 -1.214 1.00 0.00 N ATOM 470 CA VAL A 32 2.245 -15.263 -0.620 1.00 0.00 C ATOM 471 C VAL A 32 2.261 -14.087 -1.600 1.00 0.00 C ATOM 472 O VAL A 32 3.193 -13.911 -2.358 1.00 0.00 O ATOM 473 CB VAL A 32 2.923 -14.845 0.685 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.320 -14.299 0.385 1.00 0.00 C ATOM 475 CG2 VAL A 32 2.088 -13.758 1.366 1.00 0.00 C ATOM 0 H VAL A 32 3.701 -16.824 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 32 1.214 -15.555 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 32 3.005 -15.710 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.802 -14.001 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.916 -15.071 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.239 -13.435 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.570 -13.459 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.006 -12.895 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.092 -14.146 1.581 1.00 0.00 H new ATOM 485 N ALA A 33 1.236 -13.278 -1.586 1.00 0.00 N ATOM 486 CA ALA A 33 1.198 -12.113 -2.514 1.00 0.00 C ATOM 487 C ALA A 33 2.468 -11.283 -2.335 1.00 0.00 C ATOM 488 O ALA A 33 2.821 -10.900 -1.238 1.00 0.00 O ATOM 489 CB ALA A 33 -0.024 -11.248 -2.199 1.00 0.00 C ATOM 0 H ALA A 33 0.426 -13.374 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 33 1.135 -12.468 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.051 -10.396 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.931 -11.840 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.038 -10.891 -1.171 1.00 0.00 H new ATOM 495 N THR A 34 3.164 -11.004 -3.403 1.00 0.00 N ATOM 496 CA THR A 34 4.412 -10.201 -3.281 1.00 0.00 C ATOM 497 C THR A 34 4.221 -8.842 -3.954 1.00 0.00 C ATOM 498 O THR A 34 3.820 -8.755 -5.098 1.00 0.00 O ATOM 499 CB THR A 34 5.569 -10.948 -3.946 1.00 0.00 C ATOM 500 OG1 THR A 34 5.052 -11.888 -4.878 1.00 0.00 O ATOM 501 CG2 THR A 34 6.383 -11.679 -2.878 1.00 0.00 C ATOM 0 H THR A 34 2.923 -11.296 -4.350 1.00 0.00 H new ATOM 0 HA THR A 34 4.640 -10.048 -2.226 1.00 0.00 H new ATOM 0 HB THR A 34 6.211 -10.237 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.517 -11.420 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.208 -12.212 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.779 -10.956 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.743 -12.391 -2.356 1.00 0.00 H new ATOM 509 N ILE A 35 4.507 -7.781 -3.252 1.00 0.00 N ATOM 510 CA ILE A 35 4.344 -6.426 -3.845 1.00 0.00 C ATOM 511 C ILE A 35 5.720 -5.812 -4.099 1.00 0.00 C ATOM 512 O ILE A 35 6.398 -5.382 -3.187 1.00 0.00 O ATOM 513 CB ILE A 35 3.564 -5.536 -2.878 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.198 -6.167 -2.597 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.368 -4.152 -3.501 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.346 -6.125 -3.867 1.00 0.00 C ATOM 0 H ILE A 35 4.847 -7.795 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 35 3.800 -6.506 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 35 4.120 -5.438 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.323 -7.197 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.696 -5.630 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.812 -3.518 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.340 -3.703 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.812 -4.248 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.373 -6.574 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.210 -5.090 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.847 -6.681 -4.660 1.00 0.00 H new ATOM 528 N LYS A 36 6.140 -5.764 -5.333 1.00 0.00 N ATOM 529 CA LYS A 36 7.469 -5.174 -5.640 1.00 0.00 C ATOM 530 C LYS A 36 7.587 -3.817 -4.943 1.00 0.00 C ATOM 531 O LYS A 36 6.600 -3.210 -4.581 1.00 0.00 O ATOM 532 CB LYS A 36 7.604 -4.984 -7.152 1.00 0.00 C ATOM 533 CG LYS A 36 8.014 -6.309 -7.799 1.00 0.00 C ATOM 534 CD LYS A 36 9.535 -6.456 -7.733 1.00 0.00 C ATOM 535 CE LYS A 36 9.989 -7.526 -8.728 1.00 0.00 C ATOM 536 NZ LYS A 36 11.474 -7.495 -8.846 1.00 0.00 N ATOM 0 H LYS A 36 5.620 -6.108 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 36 8.258 -5.838 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.659 -4.639 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.347 -4.216 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.534 -7.142 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.679 -6.339 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.013 -5.504 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.841 -6.730 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.660 -8.510 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.532 -7.350 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.784 -8.222 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.776 -6.558 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.900 -7.683 -7.916 1.00 0.00 H new ATOM 550 N ARG A 37 8.783 -3.331 -4.758 1.00 0.00 N ATOM 551 CA ARG A 37 8.952 -2.011 -4.095 1.00 0.00 C ATOM 552 C ARG A 37 8.535 -0.925 -5.077 1.00 0.00 C ATOM 553 O ARG A 37 8.075 0.134 -4.698 1.00 0.00 O ATOM 554 CB ARG A 37 10.419 -1.818 -3.715 1.00 0.00 C ATOM 555 CG ARG A 37 10.506 -1.163 -2.336 1.00 0.00 C ATOM 556 CD ARG A 37 9.748 -2.014 -1.315 1.00 0.00 C ATOM 557 NE ARG A 37 10.644 -2.325 -0.166 1.00 0.00 N ATOM 558 CZ ARG A 37 10.853 -1.427 0.759 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.553 -0.359 0.488 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.362 -1.598 1.956 1.00 0.00 N ATOM 0 H ARG A 37 9.649 -3.792 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 37 8.340 -1.960 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.933 -2.779 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.919 -1.196 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.549 -1.060 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.084 -0.159 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.863 -1.481 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.402 -2.937 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 37 11.094 -3.238 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.938 -0.225 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.715 0.341 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.815 -2.433 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.525 -0.897 2.679 1.00 0.00 H new ATOM 574 N ASP A 38 8.693 -1.188 -6.342 1.00 0.00 N ATOM 575 CA ASP A 38 8.308 -0.186 -7.366 1.00 0.00 C ATOM 576 C ASP A 38 6.787 -0.018 -7.362 1.00 0.00 C ATOM 577 O ASP A 38 6.272 1.080 -7.430 1.00 0.00 O ATOM 578 CB ASP A 38 8.766 -0.665 -8.746 1.00 0.00 C ATOM 579 CG ASP A 38 9.365 0.509 -9.523 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.606 1.536 -8.912 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.573 0.360 -10.716 1.00 0.00 O ATOM 0 H ASP A 38 9.074 -2.059 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 38 8.781 0.769 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.505 -1.459 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.923 -1.085 -9.295 1.00 0.00 H new ATOM 586 N LYS A 39 6.064 -1.102 -7.278 1.00 0.00 N ATOM 587 CA LYS A 39 4.577 -1.009 -7.265 1.00 0.00 C ATOM 588 C LYS A 39 4.120 -0.389 -5.943 1.00 0.00 C ATOM 589 O LYS A 39 3.380 0.575 -5.920 1.00 0.00 O ATOM 590 CB LYS A 39 3.977 -2.411 -7.404 1.00 0.00 C ATOM 591 CG LYS A 39 3.184 -2.505 -8.710 1.00 0.00 C ATOM 592 CD LYS A 39 2.074 -3.550 -8.560 1.00 0.00 C ATOM 593 CE LYS A 39 2.384 -4.757 -9.448 1.00 0.00 C ATOM 594 NZ LYS A 39 3.109 -5.788 -8.652 1.00 0.00 N ATOM 0 H LYS A 39 6.440 -2.048 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 39 4.243 -0.387 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.770 -3.159 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.326 -2.624 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.753 -1.535 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.847 -2.778 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.993 -3.863 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.113 -3.118 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.460 -5.175 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.989 -4.449 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.319 -6.608 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.998 -5.386 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.516 -6.090 -7.853 1.00 0.00 H new ATOM 608 N VAL A 40 4.558 -0.935 -4.841 1.00 0.00 N ATOM 609 CA VAL A 40 4.153 -0.378 -3.521 1.00 0.00 C ATOM 610 C VAL A 40 4.414 1.134 -3.513 1.00 0.00 C ATOM 611 O VAL A 40 3.640 1.908 -2.985 1.00 0.00 O ATOM 612 CB VAL A 40 4.952 -1.088 -2.409 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.150 -0.240 -1.958 1.00 0.00 C ATOM 614 CG2 VAL A 40 4.033 -1.339 -1.212 1.00 0.00 C ATOM 0 H VAL A 40 5.179 -1.743 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 40 3.091 -0.545 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 40 5.328 -2.032 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.694 -0.767 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.813 -0.067 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.795 0.716 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.593 -1.841 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.653 -0.388 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.197 -1.967 -1.520 1.00 0.00 H new ATOM 624 N ARG A 41 5.502 1.554 -4.097 1.00 0.00 N ATOM 625 CA ARG A 41 5.818 3.009 -4.128 1.00 0.00 C ATOM 626 C ARG A 41 4.893 3.709 -5.126 1.00 0.00 C ATOM 627 O ARG A 41 4.541 4.860 -4.959 1.00 0.00 O ATOM 628 CB ARG A 41 7.275 3.203 -4.557 1.00 0.00 C ATOM 629 CG ARG A 41 7.656 4.679 -4.422 1.00 0.00 C ATOM 630 CD ARG A 41 9.116 4.869 -4.839 1.00 0.00 C ATOM 631 NE ARG A 41 9.177 5.233 -6.282 1.00 0.00 N ATOM 632 CZ ARG A 41 10.331 5.305 -6.888 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.242 4.398 -6.669 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.574 6.286 -7.714 1.00 0.00 N ATOM 0 H ARG A 41 6.186 0.952 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 41 5.671 3.436 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.931 2.589 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.408 2.875 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.006 5.292 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.515 5.010 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.579 5.650 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.679 3.953 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 41 8.318 5.426 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.053 3.631 -6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.143 4.455 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.862 6.996 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.476 6.342 -8.188 1.00 0.00 H new ATOM 648 N GLU A 42 4.496 3.023 -6.164 1.00 0.00 N ATOM 649 CA GLU A 42 3.593 3.651 -7.169 1.00 0.00 C ATOM 650 C GLU A 42 2.330 4.159 -6.470 1.00 0.00 C ATOM 651 O GLU A 42 1.922 5.289 -6.648 1.00 0.00 O ATOM 652 CB GLU A 42 3.207 2.617 -8.228 1.00 0.00 C ATOM 653 CG GLU A 42 2.242 3.251 -9.232 1.00 0.00 C ATOM 654 CD GLU A 42 1.378 2.159 -9.868 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.916 1.380 -10.638 1.00 0.00 O ATOM 656 OE2 GLU A 42 0.194 2.121 -9.575 1.00 0.00 O ATOM 0 H GLU A 42 4.758 2.057 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 42 4.107 4.485 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.098 2.257 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.741 1.753 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.610 3.985 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.800 3.783 -10.002 1.00 0.00 H new ATOM 663 N ILE A 43 1.707 3.330 -5.676 1.00 0.00 N ATOM 664 CA ILE A 43 0.470 3.763 -4.967 1.00 0.00 C ATOM 665 C ILE A 43 0.819 4.848 -3.944 1.00 0.00 C ATOM 666 O ILE A 43 0.152 5.859 -3.847 1.00 0.00 O ATOM 667 CB ILE A 43 -0.151 2.566 -4.246 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.756 1.608 -5.274 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.249 3.052 -3.299 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.316 0.177 -4.959 1.00 0.00 C ATOM 0 H ILE A 43 2.002 2.372 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.241 4.161 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 43 0.620 2.049 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.844 1.678 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.436 1.886 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.691 2.198 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.821 3.735 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.019 3.570 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.747 -0.506 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.771 0.113 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.659 -0.098 -3.961 1.00 0.00 H new ATOM 682 N ALA A 44 1.857 4.645 -3.180 1.00 0.00 N ATOM 683 CA ALA A 44 2.242 5.665 -2.164 1.00 0.00 C ATOM 684 C ALA A 44 2.639 6.964 -2.869 1.00 0.00 C ATOM 685 O ALA A 44 2.718 8.013 -2.259 1.00 0.00 O ATOM 686 CB ALA A 44 3.425 5.149 -1.345 1.00 0.00 C ATOM 0 H ALA A 44 2.454 3.819 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 44 1.397 5.854 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.706 5.895 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.143 4.224 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.270 4.959 -2.007 1.00 0.00 H new ATOM 692 N GLU A 45 2.889 6.904 -4.147 1.00 0.00 N ATOM 693 CA GLU A 45 3.279 8.137 -4.887 1.00 0.00 C ATOM 694 C GLU A 45 2.023 8.942 -5.228 1.00 0.00 C ATOM 695 O GLU A 45 1.948 10.129 -4.980 1.00 0.00 O ATOM 696 CB GLU A 45 4.002 7.750 -6.180 1.00 0.00 C ATOM 697 CG GLU A 45 5.292 8.564 -6.306 1.00 0.00 C ATOM 698 CD GLU A 45 5.453 9.048 -7.748 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.487 8.976 -8.489 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.541 9.485 -8.087 1.00 0.00 O ATOM 0 H GLU A 45 2.840 6.056 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 45 3.942 8.740 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.231 6.684 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.357 7.935 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.265 9.416 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.149 7.954 -6.018 1.00 0.00 H new ATOM 707 N LEU A 46 1.036 8.305 -5.797 1.00 0.00 N ATOM 708 CA LEU A 46 -0.215 9.030 -6.154 1.00 0.00 C ATOM 709 C LEU A 46 -0.880 9.565 -4.884 1.00 0.00 C ATOM 710 O LEU A 46 -1.563 10.570 -4.906 1.00 0.00 O ATOM 711 CB LEU A 46 -1.172 8.071 -6.865 1.00 0.00 C ATOM 712 CG LEU A 46 -1.813 8.781 -8.059 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.179 8.278 -9.357 1.00 0.00 C ATOM 714 CD2 LEU A 46 -3.314 8.485 -8.080 1.00 0.00 C ATOM 0 H LEU A 46 1.043 7.312 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 46 0.025 9.863 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.633 7.186 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.943 7.731 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.652 9.855 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.637 8.785 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.109 8.486 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.338 7.203 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.773 8.990 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.472 7.410 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.769 8.844 -7.157 1.00 0.00 H new ATOM 726 N LYS A 47 -0.688 8.902 -3.777 1.00 0.00 N ATOM 727 CA LYS A 47 -1.311 9.374 -2.509 1.00 0.00 C ATOM 728 C LYS A 47 -0.284 10.171 -1.699 1.00 0.00 C ATOM 729 O LYS A 47 -0.600 10.751 -0.681 1.00 0.00 O ATOM 730 CB LYS A 47 -1.782 8.168 -1.694 1.00 0.00 C ATOM 731 CG LYS A 47 -2.809 7.374 -2.506 1.00 0.00 C ATOM 732 CD LYS A 47 -4.220 7.727 -2.031 1.00 0.00 C ATOM 733 CE LYS A 47 -5.149 6.532 -2.258 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.967 6.764 -3.483 1.00 0.00 N ATOM 0 H LYS A 47 -0.127 8.054 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.164 10.013 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.933 7.533 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.223 8.500 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.704 7.601 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.632 6.305 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.204 7.993 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.590 8.597 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.564 5.618 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.799 6.394 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.891 6.299 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.107 7.786 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.474 6.369 -4.309 1.00 0.00 H new ATOM 748 N MET A 48 0.942 10.206 -2.146 1.00 0.00 N ATOM 749 CA MET A 48 1.986 10.969 -1.404 1.00 0.00 C ATOM 750 C MET A 48 1.478 12.384 -1.103 1.00 0.00 C ATOM 751 O MET A 48 1.537 12.830 0.026 1.00 0.00 O ATOM 752 CB MET A 48 3.256 11.053 -2.252 1.00 0.00 C ATOM 753 CG MET A 48 4.471 10.728 -1.381 1.00 0.00 C ATOM 754 SD MET A 48 4.546 11.887 0.006 1.00 0.00 S ATOM 755 CE MET A 48 4.708 13.399 -0.974 1.00 0.00 C ATOM 0 H MET A 48 1.266 9.739 -2.993 1.00 0.00 H new ATOM 0 HA MET A 48 2.206 10.459 -0.466 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.196 10.355 -3.087 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.357 12.051 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.403 9.705 -1.011 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.384 10.793 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.381 14.090 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.111 13.154 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.729 13.865 -1.089 1.00 0.00 H new ATOM 765 N PRO A 49 0.999 13.052 -2.122 1.00 0.00 N ATOM 766 CA PRO A 49 0.479 14.424 -1.992 1.00 0.00 C ATOM 767 C PRO A 49 -0.932 14.408 -1.393 1.00 0.00 C ATOM 768 O PRO A 49 -1.432 15.415 -0.933 1.00 0.00 O ATOM 769 CB PRO A 49 0.460 14.940 -3.434 1.00 0.00 C ATOM 770 CG PRO A 49 0.425 13.690 -4.345 1.00 0.00 C ATOM 771 CD PRO A 49 0.928 12.508 -3.494 1.00 0.00 C ATOM 0 HA PRO A 49 1.079 15.050 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.410 15.572 -3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.341 15.547 -3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.586 13.503 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.057 13.832 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.247 11.659 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.903 12.159 -3.835 1.00 0.00 H new ATOM 779 N ASP A 50 -1.572 13.271 -1.390 1.00 0.00 N ATOM 780 CA ASP A 50 -2.944 13.192 -0.814 1.00 0.00 C ATOM 781 C ASP A 50 -2.883 12.506 0.553 1.00 0.00 C ATOM 782 O ASP A 50 -3.894 12.238 1.171 1.00 0.00 O ATOM 783 CB ASP A 50 -3.849 12.387 -1.751 1.00 0.00 C ATOM 784 CG ASP A 50 -3.633 12.851 -3.193 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.762 14.039 -3.438 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.343 12.010 -4.027 1.00 0.00 O ATOM 0 H ASP A 50 -1.205 12.395 -1.761 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.348 14.198 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.627 11.323 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.893 12.519 -1.468 1.00 0.00 H new ATOM 791 N LEU A 51 -1.701 12.222 1.032 1.00 0.00 N ATOM 792 CA LEU A 51 -1.575 11.556 2.359 1.00 0.00 C ATOM 793 C LEU A 51 -1.123 12.583 3.398 1.00 0.00 C ATOM 794 O LEU A 51 -1.899 13.048 4.208 1.00 0.00 O ATOM 795 CB LEU A 51 -0.531 10.439 2.274 1.00 0.00 C ATOM 796 CG LEU A 51 -1.131 9.217 1.577 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.003 8.349 1.013 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.937 8.401 2.588 1.00 0.00 C ATOM 0 H LEU A 51 -0.819 12.423 0.561 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.539 11.136 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.344 10.788 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.193 10.168 3.274 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.783 9.544 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.429 7.477 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.578 8.928 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.646 8.022 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.366 7.529 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.283 8.074 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.738 9.017 2.996 1.00 0.00 H new ATOM 810 N ASN A 52 0.135 12.932 3.376 1.00 0.00 N ATOM 811 CA ASN A 52 0.672 13.923 4.354 1.00 0.00 C ATOM 812 C ASN A 52 2.195 13.767 4.416 1.00 0.00 C ATOM 813 O ASN A 52 2.913 14.684 4.760 1.00 0.00 O ATOM 814 CB ASN A 52 0.067 13.665 5.739 1.00 0.00 C ATOM 815 CG ASN A 52 0.903 14.367 6.813 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.923 15.580 6.888 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.597 13.649 7.654 1.00 0.00 N ATOM 0 H ASN A 52 0.822 12.569 2.715 1.00 0.00 H new ATOM 0 HA ASN A 52 0.413 14.935 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.960 14.029 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.032 12.594 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.156 14.106 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.580 12.631 7.591 1.00 0.00 H new ATOM 824 N ALA A 53 2.686 12.605 4.079 1.00 0.00 N ATOM 825 CA ALA A 53 4.156 12.371 4.109 1.00 0.00 C ATOM 826 C ALA A 53 4.883 13.548 3.454 1.00 0.00 C ATOM 827 O ALA A 53 4.407 14.129 2.498 1.00 0.00 O ATOM 828 CB ALA A 53 4.471 11.086 3.337 1.00 0.00 C ATOM 0 H ALA A 53 2.128 11.804 3.783 1.00 0.00 H new ATOM 0 HA ALA A 53 4.489 12.276 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.546 10.906 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.955 10.246 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.136 11.190 2.305 1.00 0.00 H new ATOM 834 N ALA A 54 6.037 13.899 3.955 1.00 0.00 N ATOM 835 CA ALA A 54 6.796 15.032 3.353 1.00 0.00 C ATOM 836 C ALA A 54 7.404 14.577 2.024 1.00 0.00 C ATOM 837 O ALA A 54 7.854 15.377 1.228 1.00 0.00 O ATOM 838 CB ALA A 54 7.916 15.463 4.304 1.00 0.00 C ATOM 0 H ALA A 54 6.486 13.451 4.754 1.00 0.00 H new ATOM 0 HA ALA A 54 6.124 15.873 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.470 16.291 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.485 15.780 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.592 14.625 4.474 1.00 0.00 H new ATOM 844 N SER A 55 7.420 13.294 1.784 1.00 0.00 N ATOM 845 CA SER A 55 7.996 12.776 0.512 1.00 0.00 C ATOM 846 C SER A 55 7.680 11.283 0.391 1.00 0.00 C ATOM 847 O SER A 55 6.860 10.755 1.115 1.00 0.00 O ATOM 848 CB SER A 55 9.511 12.983 0.520 1.00 0.00 C ATOM 849 OG SER A 55 10.038 12.551 1.768 1.00 0.00 O ATOM 0 H SER A 55 7.058 12.581 2.417 1.00 0.00 H new ATOM 0 HA SER A 55 7.565 13.310 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.970 12.423 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.747 14.035 0.357 1.00 0.00 H new ATOM 0 HG SER A 55 11.009 12.681 1.775 1.00 0.00 H new ATOM 855 N ILE A 56 8.324 10.597 -0.513 1.00 0.00 N ATOM 856 CA ILE A 56 8.055 9.137 -0.669 1.00 0.00 C ATOM 857 C ILE A 56 8.587 8.391 0.554 1.00 0.00 C ATOM 858 O ILE A 56 7.909 7.574 1.141 1.00 0.00 O ATOM 859 CB ILE A 56 8.758 8.610 -1.920 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.560 9.591 -3.080 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.170 7.250 -2.299 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.069 9.870 -3.264 1.00 0.00 C ATOM 0 H ILE A 56 9.023 10.981 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 56 6.981 8.979 -0.763 1.00 0.00 H new ATOM 0 HB ILE A 56 9.824 8.505 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.092 10.521 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.979 9.176 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.670 6.873 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.316 6.549 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.104 7.358 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.929 10.568 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.549 8.938 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.664 10.304 -2.349 1.00 0.00 H new ATOM 874 N GLU A 57 9.802 8.664 0.940 1.00 0.00 N ATOM 875 CA GLU A 57 10.379 7.969 2.123 1.00 0.00 C ATOM 876 C GLU A 57 9.346 7.948 3.251 1.00 0.00 C ATOM 877 O GLU A 57 9.356 7.078 4.099 1.00 0.00 O ATOM 878 CB GLU A 57 11.628 8.718 2.593 1.00 0.00 C ATOM 879 CG GLU A 57 12.762 8.499 1.590 1.00 0.00 C ATOM 880 CD GLU A 57 14.035 8.102 2.340 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.760 8.994 2.749 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.263 6.913 2.490 1.00 0.00 O ATOM 0 H GLU A 57 10.420 9.338 0.488 1.00 0.00 H new ATOM 0 HA GLU A 57 10.646 6.948 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.413 9.782 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.927 8.364 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.488 7.720 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.934 9.409 1.015 1.00 0.00 H new ATOM 889 N ALA A 58 8.455 8.902 3.266 1.00 0.00 N ATOM 890 CA ALA A 58 7.423 8.941 4.338 1.00 0.00 C ATOM 891 C ALA A 58 6.184 8.158 3.895 1.00 0.00 C ATOM 892 O ALA A 58 5.531 7.514 4.692 1.00 0.00 O ATOM 893 CB ALA A 58 7.038 10.394 4.621 1.00 0.00 C ATOM 0 H ALA A 58 8.398 9.656 2.581 1.00 0.00 H new ATOM 0 HA ALA A 58 7.827 8.488 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.282 10.424 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.919 10.948 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.638 10.847 3.714 1.00 0.00 H new ATOM 899 N ALA A 59 5.854 8.203 2.632 1.00 0.00 N ATOM 900 CA ALA A 59 4.656 7.454 2.153 1.00 0.00 C ATOM 901 C ALA A 59 4.981 5.959 2.112 1.00 0.00 C ATOM 902 O ALA A 59 4.397 5.165 2.825 1.00 0.00 O ATOM 903 CB ALA A 59 4.274 7.935 0.751 1.00 0.00 C ATOM 0 H ALA A 59 6.359 8.723 1.914 1.00 0.00 H new ATOM 0 HA ALA A 59 3.821 7.629 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.399 7.386 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.046 9.000 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.105 7.762 0.068 1.00 0.00 H new ATOM 909 N MET A 60 5.912 5.567 1.286 1.00 0.00 N ATOM 910 CA MET A 60 6.277 4.126 1.208 1.00 0.00 C ATOM 911 C MET A 60 6.398 3.559 2.624 1.00 0.00 C ATOM 912 O MET A 60 6.219 2.379 2.849 1.00 0.00 O ATOM 913 CB MET A 60 7.617 3.979 0.485 1.00 0.00 C ATOM 914 CG MET A 60 7.501 2.894 -0.586 1.00 0.00 C ATOM 915 SD MET A 60 8.855 1.708 -0.392 1.00 0.00 S ATOM 916 CE MET A 60 10.093 2.623 -1.341 1.00 0.00 C ATOM 0 H MET A 60 6.435 6.182 0.663 1.00 0.00 H new ATOM 0 HA MET A 60 5.507 3.582 0.660 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.902 4.927 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.400 3.720 1.197 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.541 2.384 -0.500 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.536 3.343 -1.579 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.028 2.064 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.739 2.761 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.259 3.597 -0.880 1.00 0.00 H new ATOM 926 N ARG A 61 6.702 4.394 3.580 1.00 0.00 N ATOM 927 CA ARG A 61 6.833 3.909 4.982 1.00 0.00 C ATOM 928 C ARG A 61 5.506 3.306 5.437 1.00 0.00 C ATOM 929 O ARG A 61 5.448 2.191 5.915 1.00 0.00 O ATOM 930 CB ARG A 61 7.203 5.080 5.896 1.00 0.00 C ATOM 931 CG ARG A 61 8.391 4.687 6.775 1.00 0.00 C ATOM 932 CD ARG A 61 8.570 5.723 7.887 1.00 0.00 C ATOM 933 NE ARG A 61 7.242 6.053 8.475 1.00 0.00 N ATOM 934 CZ ARG A 61 6.990 7.269 8.876 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.957 8.023 9.323 1.00 0.00 N ATOM 936 NH2 ARG A 61 5.771 7.733 8.829 1.00 0.00 N ATOM 0 H ARG A 61 6.865 5.392 3.450 1.00 0.00 H new ATOM 0 HA ARG A 61 7.614 3.150 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.454 5.956 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.351 5.352 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.226 3.700 7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.297 4.624 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.235 5.334 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.037 6.623 7.488 1.00 0.00 H new ATOM 0 HE ARG A 61 6.530 5.329 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.910 7.662 9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.759 8.973 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.015 7.145 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.575 8.684 9.143 1.00 0.00 H new ATOM 950 N MET A 62 4.438 4.036 5.289 1.00 0.00 N ATOM 951 CA MET A 62 3.112 3.508 5.710 1.00 0.00 C ATOM 952 C MET A 62 2.690 2.379 4.764 1.00 0.00 C ATOM 953 O MET A 62 1.824 1.589 5.075 1.00 0.00 O ATOM 954 CB MET A 62 2.076 4.635 5.660 1.00 0.00 C ATOM 955 CG MET A 62 2.693 5.921 6.215 1.00 0.00 C ATOM 956 SD MET A 62 1.385 7.136 6.517 1.00 0.00 S ATOM 957 CE MET A 62 2.270 8.585 5.891 1.00 0.00 C ATOM 0 H MET A 62 4.426 4.976 4.894 1.00 0.00 H new ATOM 0 HA MET A 62 3.178 3.122 6.727 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.743 4.792 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.196 4.361 6.242 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.229 5.710 7.140 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.421 6.322 5.509 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.636 9.467 5.983 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.182 8.732 6.469 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.526 8.430 4.843 1.00 0.00 H new ATOM 967 N ILE A 63 3.297 2.298 3.611 1.00 0.00 N ATOM 968 CA ILE A 63 2.929 1.218 2.649 1.00 0.00 C ATOM 969 C ILE A 63 3.595 -0.093 3.067 1.00 0.00 C ATOM 970 O ILE A 63 3.101 -1.166 2.785 1.00 0.00 O ATOM 971 CB ILE A 63 3.397 1.601 1.246 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.027 3.058 0.954 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.721 0.695 0.218 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.606 3.344 1.448 1.00 0.00 C ATOM 0 H ILE A 63 4.031 2.931 3.293 1.00 0.00 H new ATOM 0 HA ILE A 63 1.847 1.090 2.649 1.00 0.00 H new ATOM 0 HB ILE A 63 4.479 1.483 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.734 3.727 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.095 3.252 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.055 0.968 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.986 -0.343 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.639 0.813 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.350 4.382 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.904 2.686 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.552 3.168 2.522 1.00 0.00 H new ATOM 986 N GLU A 64 4.712 -0.019 3.735 1.00 0.00 N ATOM 987 CA GLU A 64 5.399 -1.266 4.167 1.00 0.00 C ATOM 988 C GLU A 64 4.783 -1.753 5.477 1.00 0.00 C ATOM 989 O GLU A 64 4.709 -2.937 5.735 1.00 0.00 O ATOM 990 CB GLU A 64 6.889 -0.987 4.370 1.00 0.00 C ATOM 991 CG GLU A 64 7.680 -2.279 4.159 1.00 0.00 C ATOM 992 CD GLU A 64 8.389 -2.662 5.459 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.701 -2.946 6.425 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.609 -2.663 5.466 1.00 0.00 O ATOM 0 H GLU A 64 5.177 0.849 4.000 1.00 0.00 H new ATOM 0 HA GLU A 64 5.280 -2.033 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.226 -0.223 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.065 -0.600 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.011 -3.081 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.410 -2.145 3.360 1.00 0.00 H new ATOM 1001 N GLY A 65 4.333 -0.850 6.304 1.00 0.00 N ATOM 1002 CA GLY A 65 3.713 -1.268 7.593 1.00 0.00 C ATOM 1003 C GLY A 65 2.238 -1.588 7.354 1.00 0.00 C ATOM 1004 O GLY A 65 1.640 -2.380 8.054 1.00 0.00 O ATOM 0 H GLY A 65 4.368 0.157 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.228 -2.142 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.811 -0.474 8.333 1.00 0.00 H new ATOM 1008 N THR A 66 1.648 -0.975 6.363 1.00 0.00 N ATOM 1009 CA THR A 66 0.212 -1.237 6.067 1.00 0.00 C ATOM 1010 C THR A 66 0.099 -2.396 5.075 1.00 0.00 C ATOM 1011 O THR A 66 -0.864 -3.137 5.076 1.00 0.00 O ATOM 1012 CB THR A 66 -0.417 0.017 5.454 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.119 1.140 6.273 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.932 -0.158 5.362 1.00 0.00 C ATOM 0 H THR A 66 2.101 -0.302 5.745 1.00 0.00 H new ATOM 0 HA THR A 66 -0.308 -1.495 6.990 1.00 0.00 H new ATOM 0 HB THR A 66 -0.012 0.174 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.809 1.417 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.376 0.737 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.161 -1.020 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.341 -0.316 6.360 1.00 0.00 H new ATOM 1022 N ALA A 67 1.078 -2.556 4.227 1.00 0.00 N ATOM 1023 CA ALA A 67 1.030 -3.664 3.232 1.00 0.00 C ATOM 1024 C ALA A 67 1.685 -4.910 3.828 1.00 0.00 C ATOM 1025 O ALA A 67 2.119 -5.795 3.118 1.00 0.00 O ATOM 1026 CB ALA A 67 1.779 -3.244 1.965 1.00 0.00 C ATOM 0 H ALA A 67 1.909 -1.967 4.180 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.007 -3.886 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.744 -4.054 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.310 -2.356 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.817 -3.023 2.213 1.00 0.00 H new ATOM 1032 N ARG A 68 1.759 -4.985 5.128 1.00 0.00 N ATOM 1033 CA ARG A 68 2.385 -6.174 5.774 1.00 0.00 C ATOM 1034 C ARG A 68 1.383 -6.831 6.727 1.00 0.00 C ATOM 1035 O ARG A 68 1.339 -8.037 6.860 1.00 0.00 O ATOM 1036 CB ARG A 68 3.618 -5.733 6.566 1.00 0.00 C ATOM 1037 CG ARG A 68 4.845 -6.510 6.086 1.00 0.00 C ATOM 1038 CD ARG A 68 5.901 -6.522 7.194 1.00 0.00 C ATOM 1039 NE ARG A 68 7.185 -7.052 6.651 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.318 -6.542 7.046 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.643 -6.571 8.310 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.127 -5.999 6.178 1.00 0.00 N ATOM 0 H ARG A 68 1.413 -4.274 5.772 1.00 0.00 H new ATOM 0 HA ARG A 68 2.677 -6.889 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.781 -4.663 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.459 -5.906 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.564 -7.530 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.252 -6.050 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.047 -5.514 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.563 -7.139 8.026 1.00 0.00 H new ATOM 0 HE ARG A 68 7.177 -7.813 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.010 -6.993 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.530 -6.172 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.873 -5.974 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.013 -5.600 6.487 1.00 0.00 H new ATOM 1056 N SER A 69 0.585 -6.046 7.397 1.00 0.00 N ATOM 1057 CA SER A 69 -0.407 -6.626 8.348 1.00 0.00 C ATOM 1058 C SER A 69 -1.560 -7.266 7.572 1.00 0.00 C ATOM 1059 O SER A 69 -2.472 -7.825 8.148 1.00 0.00 O ATOM 1060 CB SER A 69 -0.954 -5.519 9.251 1.00 0.00 C ATOM 1061 OG SER A 69 -0.076 -4.403 9.208 1.00 0.00 O ATOM 0 H SER A 69 0.576 -5.028 7.328 1.00 0.00 H new ATOM 0 HA SER A 69 0.082 -7.387 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.951 -5.225 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.050 -5.882 10.274 1.00 0.00 H new ATOM 0 HG SER A 69 -0.367 -3.785 8.505 1.00 0.00 H new ATOM 1067 N MET A 70 -1.529 -7.193 6.270 1.00 0.00 N ATOM 1068 CA MET A 70 -2.627 -7.803 5.468 1.00 0.00 C ATOM 1069 C MET A 70 -2.128 -9.094 4.817 1.00 0.00 C ATOM 1070 O MET A 70 -2.784 -9.667 3.970 1.00 0.00 O ATOM 1071 CB MET A 70 -3.074 -6.821 4.384 1.00 0.00 C ATOM 1072 CG MET A 70 -4.037 -5.797 4.989 1.00 0.00 C ATOM 1073 SD MET A 70 -4.575 -4.640 3.706 1.00 0.00 S ATOM 1074 CE MET A 70 -2.992 -3.792 3.488 1.00 0.00 C ATOM 0 H MET A 70 -0.794 -6.739 5.728 1.00 0.00 H new ATOM 0 HA MET A 70 -3.470 -8.030 6.120 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.208 -6.314 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.561 -7.358 3.570 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.900 -6.304 5.421 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.547 -5.256 5.799 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.979 -3.289 2.521 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.861 -3.057 4.282 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.181 -4.519 3.529 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.972 -9.558 5.208 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.433 -10.814 4.613 1.00 0.00 C ATOM 1086 C GLY A 71 0.231 -10.509 3.270 1.00 0.00 C ATOM 1087 O GLY A 71 0.345 -11.366 2.416 1.00 0.00 O ATOM 0 H GLY A 71 -0.378 -9.122 5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.290 -11.267 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.238 -11.536 4.475 1.00 0.00 H new ATOM 1091 N ILE A 72 0.674 -9.297 3.072 1.00 0.00 N ATOM 1092 CA ILE A 72 1.331 -8.950 1.782 1.00 0.00 C ATOM 1093 C ILE A 72 2.809 -8.647 2.030 1.00 0.00 C ATOM 1094 O ILE A 72 3.157 -7.866 2.891 1.00 0.00 O ATOM 1095 CB ILE A 72 0.656 -7.719 1.177 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.848 -7.973 1.048 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.244 -7.444 -0.207 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.615 -6.815 1.689 1.00 0.00 C ATOM 0 H ILE A 72 0.609 -8.535 3.747 1.00 0.00 H new ATOM 0 HA ILE A 72 1.240 -9.789 1.092 1.00 0.00 H new ATOM 0 HB ILE A 72 0.826 -6.858 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.123 -8.069 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.112 -8.912 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.763 -6.566 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.315 -7.264 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.074 -8.306 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.686 -6.994 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.347 -6.741 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.358 -5.884 1.183 1.00 0.00 H new ATOM 1110 N VAL A 73 3.685 -9.257 1.279 1.00 0.00 N ATOM 1111 CA VAL A 73 5.136 -8.993 1.475 1.00 0.00 C ATOM 1112 C VAL A 73 5.579 -7.895 0.500 1.00 0.00 C ATOM 1113 O VAL A 73 4.775 -7.331 -0.216 1.00 0.00 O ATOM 1114 CB VAL A 73 5.927 -10.298 1.241 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.440 -10.380 -0.202 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.117 -10.346 2.202 1.00 0.00 C ATOM 0 H VAL A 73 3.459 -9.924 0.541 1.00 0.00 H new ATOM 0 HA VAL A 73 5.329 -8.653 2.493 1.00 0.00 H new ATOM 0 HB VAL A 73 5.261 -11.142 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.994 -11.309 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.595 -10.356 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.096 -9.533 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.678 -11.266 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.765 -9.489 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.756 -10.317 3.230 1.00 0.00 H new ATOM 1126 N VAL A 74 6.845 -7.589 0.462 1.00 0.00 N ATOM 1127 CA VAL A 74 7.321 -6.530 -0.472 1.00 0.00 C ATOM 1128 C VAL A 74 8.783 -6.814 -0.849 1.00 0.00 C ATOM 1129 O VAL A 74 9.560 -7.281 -0.040 1.00 0.00 O ATOM 1130 CB VAL A 74 7.176 -5.154 0.211 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.522 -4.660 0.757 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.634 -4.137 -0.797 1.00 0.00 C ATOM 0 H VAL A 74 7.569 -8.024 1.034 1.00 0.00 H new ATOM 0 HA VAL A 74 6.725 -6.526 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 74 6.484 -5.260 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.387 -3.688 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.901 -5.373 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.235 -4.567 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.532 -3.165 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.324 -4.054 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.660 -4.467 -1.159 1.00 0.00 H new ATOM 1142 N GLU A 75 9.160 -6.543 -2.068 1.00 0.00 N ATOM 1143 CA GLU A 75 10.568 -6.805 -2.485 1.00 0.00 C ATOM 1144 C GLU A 75 11.353 -5.492 -2.490 1.00 0.00 C ATOM 1145 O GLU A 75 10.797 -4.424 -2.338 1.00 0.00 O ATOM 1146 CB GLU A 75 10.581 -7.416 -3.889 1.00 0.00 C ATOM 1147 CG GLU A 75 10.556 -8.942 -3.780 1.00 0.00 C ATOM 1148 CD GLU A 75 11.839 -9.521 -4.382 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.888 -9.667 -5.592 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.749 -9.808 -3.622 1.00 0.00 O ATOM 0 H GLU A 75 8.557 -6.153 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 75 11.030 -7.500 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.719 -7.067 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.471 -7.094 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.465 -9.241 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.686 -9.340 -4.302 1.00 0.00 H new ATOM 1157 N ASP A 76 12.646 -5.565 -2.661 1.00 0.00 N ATOM 1158 CA ASP A 76 13.467 -4.321 -2.673 1.00 0.00 C ATOM 1159 C ASP A 76 13.697 -3.872 -4.117 1.00 0.00 C ATOM 1160 O ASP A 76 13.618 -4.712 -4.998 1.00 0.00 O ATOM 1161 CB ASP A 76 14.816 -4.595 -2.005 1.00 0.00 C ATOM 1162 CG ASP A 76 15.025 -3.612 -0.852 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.409 -2.486 -1.122 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.799 -4.002 0.281 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.953 -2.697 -4.318 1.00 0.00 O ATOM 0 H ASP A 76 13.168 -6.431 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 76 12.942 -3.536 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.848 -5.619 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.621 -4.494 -2.733 1.00 0.00 H new TER 1170 ASP A 76