USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 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 58 LYS NZ :NH3+ -115:sc= 0.514 (180deg=0) USER MOD Set 1.2: A 90 THR OG1 : rot 110:sc= 0.206 USER MOD Set 2.1: A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 96 LYS NZ :NH3+ -136:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 MET CE :methyl -149:sc= -6.64! (180deg=-10.4!) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.605 USER MOD Set 4.2: A 80 SER OG : rot 86:sc= 0.538 USER MOD Set 5.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 62:sc= 0.586 USER MOD Single : A 17 GLN : amide:sc= -1.05 X(o=-1,f=-1.1) USER MOD Single : A 22 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -0.376 (180deg=-1.68!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 0:sc= 0.0883 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 30:sc= -2.01! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 43:sc= 1.22 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 98 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.5) USER MOD Single : A 99 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-0.51) USER MOD Single : A 101 GLN : amide:sc= -0.169 X(o=-0.17,f=0.068) USER MOD Single : A 103 SER OG : rot 37:sc= 1 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.888 30.715 -7.312 1.00 0.00 N ATOM 2 CA GLY A 1 9.749 29.551 -7.219 1.00 0.00 C ATOM 3 C GLY A 1 8.970 28.251 -7.220 1.00 0.00 C ATOM 4 O GLY A 1 9.099 27.442 -6.302 1.00 0.00 O ATOM 0 H1 GLY A 1 9.469 31.578 -7.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.340 30.671 -8.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.238 30.731 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.448 29.552 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.343 29.614 -6.307 1.00 0.00 H new ATOM 8 N SER A 2 8.157 28.051 -8.252 1.00 0.00 N ATOM 9 CA SER A 2 7.349 26.843 -8.366 1.00 0.00 C ATOM 10 C SER A 2 6.376 26.728 -7.197 1.00 0.00 C ATOM 11 O SER A 2 6.217 25.657 -6.610 1.00 0.00 O ATOM 12 CB SER A 2 8.248 25.606 -8.420 1.00 0.00 C ATOM 13 OG SER A 2 9.096 25.641 -9.555 1.00 0.00 O ATOM 0 H SER A 2 8.040 28.710 -9.021 1.00 0.00 H new ATOM 0 HA SER A 2 6.774 26.906 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.851 25.551 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.633 24.707 -8.449 1.00 0.00 H new ATOM 0 HG SER A 2 9.661 24.841 -9.566 1.00 0.00 H new ATOM 19 N SER A 3 5.727 27.839 -6.864 1.00 0.00 N ATOM 20 CA SER A 3 4.772 27.865 -5.762 1.00 0.00 C ATOM 21 C SER A 3 3.490 27.126 -6.136 1.00 0.00 C ATOM 22 O SER A 3 2.918 27.352 -7.201 1.00 0.00 O ATOM 23 CB SER A 3 4.446 29.309 -5.376 1.00 0.00 C ATOM 24 OG SER A 3 5.628 30.044 -5.107 1.00 0.00 O ATOM 0 H SER A 3 5.845 28.733 -7.341 1.00 0.00 H new ATOM 0 HA SER A 3 5.226 27.361 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.892 29.788 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.801 29.317 -4.497 1.00 0.00 H new ATOM 0 HG SER A 3 5.393 30.964 -4.864 1.00 0.00 H new ATOM 30 N GLY A 4 3.046 26.239 -5.251 1.00 0.00 N ATOM 31 CA GLY A 4 1.836 25.479 -5.505 1.00 0.00 C ATOM 32 C GLY A 4 1.210 24.942 -4.233 1.00 0.00 C ATOM 33 O GLY A 4 0.084 25.300 -3.889 1.00 0.00 O ATOM 0 H GLY A 4 3.503 26.033 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.115 26.112 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.066 24.648 -6.172 1.00 0.00 H new ATOM 37 N SER A 5 1.942 24.081 -3.533 1.00 0.00 N ATOM 38 CA SER A 5 1.449 23.490 -2.294 1.00 0.00 C ATOM 39 C SER A 5 0.992 24.572 -1.320 1.00 0.00 C ATOM 40 O SER A 5 1.654 25.597 -1.159 1.00 0.00 O ATOM 41 CB SER A 5 2.537 22.631 -1.646 1.00 0.00 C ATOM 42 OG SER A 5 2.061 22.011 -0.464 1.00 0.00 O ATOM 0 H SER A 5 2.878 23.777 -3.802 1.00 0.00 H new ATOM 0 HA SER A 5 0.594 22.859 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.871 21.869 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.403 23.251 -1.412 1.00 0.00 H new ATOM 0 HG SER A 5 2.774 21.467 -0.070 1.00 0.00 H new ATOM 48 N SER A 6 -0.144 24.334 -0.673 1.00 0.00 N ATOM 49 CA SER A 6 -0.693 25.289 0.283 1.00 0.00 C ATOM 50 C SER A 6 0.278 25.522 1.437 1.00 0.00 C ATOM 51 O SER A 6 0.557 26.661 1.808 1.00 0.00 O ATOM 52 CB SER A 6 -2.034 24.789 0.823 1.00 0.00 C ATOM 53 OG SER A 6 -2.610 25.731 1.711 1.00 0.00 O ATOM 0 H SER A 6 -0.702 23.489 -0.793 1.00 0.00 H new ATOM 0 HA SER A 6 -0.848 26.235 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.716 24.602 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.891 23.839 1.338 1.00 0.00 H new ATOM 0 HG SER A 6 -3.467 25.388 2.041 1.00 0.00 H new ATOM 59 N GLY A 7 0.789 24.432 2.001 1.00 0.00 N ATOM 60 CA GLY A 7 1.723 24.538 3.107 1.00 0.00 C ATOM 61 C GLY A 7 2.505 23.258 3.330 1.00 0.00 C ATOM 62 O GLY A 7 3.731 23.247 3.226 1.00 0.00 O ATOM 0 H GLY A 7 0.573 23.478 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.418 25.356 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.178 24.790 4.016 1.00 0.00 H new ATOM 66 N GLU A 8 1.794 22.178 3.639 1.00 0.00 N ATOM 67 CA GLU A 8 2.430 20.888 3.879 1.00 0.00 C ATOM 68 C GLU A 8 1.566 19.748 3.349 1.00 0.00 C ATOM 69 O GLU A 8 0.523 19.977 2.736 1.00 0.00 O ATOM 70 CB GLU A 8 2.689 20.694 5.375 1.00 0.00 C ATOM 71 CG GLU A 8 1.423 20.669 6.214 1.00 0.00 C ATOM 72 CD GLU A 8 1.708 20.729 7.702 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.347 19.790 8.221 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.292 21.714 8.347 1.00 0.00 O ATOM 0 H GLU A 8 0.778 22.171 3.729 1.00 0.00 H new ATOM 0 HA GLU A 8 3.382 20.876 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.231 19.760 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.334 21.497 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.790 21.511 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.862 19.761 5.992 1.00 0.00 H new ATOM 81 N VAL A 9 2.008 18.517 3.590 1.00 0.00 N ATOM 82 CA VAL A 9 1.276 17.340 3.138 1.00 0.00 C ATOM 83 C VAL A 9 0.514 16.692 4.288 1.00 0.00 C ATOM 84 O VAL A 9 1.023 16.590 5.404 1.00 0.00 O ATOM 85 CB VAL A 9 2.221 16.298 2.510 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.316 15.910 3.493 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.439 15.074 2.060 1.00 0.00 C ATOM 0 H VAL A 9 2.869 18.310 4.096 1.00 0.00 H new ATOM 0 HA VAL A 9 0.568 17.679 2.382 1.00 0.00 H new ATOM 0 HB VAL A 9 2.693 16.742 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.974 15.173 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.894 16.794 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.866 15.484 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.122 14.348 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.938 14.626 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.695 15.369 1.320 1.00 0.00 H new ATOM 97 N ASP A 10 -0.709 16.254 4.008 1.00 0.00 N ATOM 98 CA ASP A 10 -1.542 15.613 5.019 1.00 0.00 C ATOM 99 C ASP A 10 -1.958 14.215 4.573 1.00 0.00 C ATOM 100 O ASP A 10 -2.309 13.984 3.416 1.00 0.00 O ATOM 101 CB ASP A 10 -2.782 16.462 5.301 1.00 0.00 C ATOM 102 CG ASP A 10 -3.381 16.177 6.664 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.745 16.532 7.678 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.487 15.599 6.717 1.00 0.00 O ATOM 0 H ASP A 10 -1.145 16.331 3.089 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.957 15.524 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.518 17.518 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.531 16.273 4.532 1.00 0.00 H new ATOM 109 N PRO A 11 -1.917 13.258 5.512 1.00 0.00 N ATOM 110 CA PRO A 11 -2.285 11.865 5.240 1.00 0.00 C ATOM 111 C PRO A 11 -3.781 11.699 4.996 1.00 0.00 C ATOM 112 O PRO A 11 -4.194 11.053 4.033 1.00 0.00 O ATOM 113 CB PRO A 11 -1.867 11.132 6.517 1.00 0.00 C ATOM 114 CG PRO A 11 -1.901 12.173 7.581 1.00 0.00 C ATOM 115 CD PRO A 11 -1.508 13.462 6.912 1.00 0.00 C ATOM 0 HA PRO A 11 -1.806 11.485 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.549 10.312 6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.871 10.700 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.895 12.249 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.213 11.927 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.015 14.317 7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.437 13.648 6.995 1.00 0.00 H new ATOM 123 N ALA A 12 -4.588 12.285 5.874 1.00 0.00 N ATOM 124 CA ALA A 12 -6.038 12.204 5.752 1.00 0.00 C ATOM 125 C ALA A 12 -6.493 12.582 4.346 1.00 0.00 C ATOM 126 O ALA A 12 -7.543 12.137 3.881 1.00 0.00 O ATOM 127 CB ALA A 12 -6.706 13.101 6.784 1.00 0.00 C ATOM 0 H ALA A 12 -4.262 12.821 6.678 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.336 11.172 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.789 13.030 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.415 12.783 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.393 14.133 6.626 1.00 0.00 H new ATOM 133 N LYS A 13 -5.697 13.406 3.674 1.00 0.00 N ATOM 134 CA LYS A 13 -6.017 13.844 2.320 1.00 0.00 C ATOM 135 C LYS A 13 -5.424 12.892 1.286 1.00 0.00 C ATOM 136 O LYS A 13 -6.020 12.654 0.234 1.00 0.00 O ATOM 137 CB LYS A 13 -5.492 15.262 2.084 1.00 0.00 C ATOM 138 CG LYS A 13 -5.966 16.267 3.119 1.00 0.00 C ATOM 139 CD LYS A 13 -7.281 16.910 2.711 1.00 0.00 C ATOM 140 CE LYS A 13 -8.473 16.124 3.236 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.757 16.840 3.000 1.00 0.00 N ATOM 0 H LYS A 13 -4.825 13.784 4.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.101 13.841 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.402 15.241 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.806 15.596 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.086 15.770 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.208 17.039 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.321 17.931 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.335 16.972 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.507 15.148 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.348 15.945 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.545 16.272 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.735 17.760 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.889 16.989 1.979 1.00 0.00 H new ATOM 155 N CYS A 14 -4.250 12.351 1.591 1.00 0.00 N ATOM 156 CA CYS A 14 -3.578 11.424 0.688 1.00 0.00 C ATOM 157 C CYS A 14 -4.552 10.376 0.160 1.00 0.00 C ATOM 158 O CYS A 14 -5.615 10.153 0.740 1.00 0.00 O ATOM 159 CB CYS A 14 -2.411 10.739 1.402 1.00 0.00 C ATOM 160 SG CYS A 14 -0.977 11.809 1.666 1.00 0.00 S ATOM 0 H CYS A 14 -3.744 12.538 2.457 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.193 11.994 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.757 10.368 2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.101 9.871 0.819 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.317 12.813 2.418 1.00 0.00 H new ATOM 166 N VAL A 15 -4.183 9.736 -0.945 1.00 0.00 N ATOM 167 CA VAL A 15 -5.024 8.712 -1.553 1.00 0.00 C ATOM 168 C VAL A 15 -4.180 7.600 -2.166 1.00 0.00 C ATOM 169 O VAL A 15 -2.950 7.637 -2.110 1.00 0.00 O ATOM 170 CB VAL A 15 -5.937 9.308 -2.641 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.234 9.816 -2.031 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.218 10.421 -3.388 1.00 0.00 C ATOM 0 H VAL A 15 -3.307 9.909 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.643 8.298 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.183 8.522 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.866 10.233 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.755 8.991 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.012 10.588 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.877 10.831 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.941 11.209 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.320 10.022 -3.859 1.00 0.00 H new ATOM 182 N LEU A 16 -4.848 6.612 -2.750 1.00 0.00 N ATOM 183 CA LEU A 16 -4.160 5.488 -3.375 1.00 0.00 C ATOM 184 C LEU A 16 -4.757 5.176 -4.744 1.00 0.00 C ATOM 185 O LEU A 16 -5.975 5.199 -4.919 1.00 0.00 O ATOM 186 CB LEU A 16 -4.241 4.252 -2.478 1.00 0.00 C ATOM 187 CG LEU A 16 -3.887 4.467 -1.006 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.636 3.477 -0.127 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.386 4.341 -0.793 1.00 0.00 C ATOM 0 H LEU A 16 -5.866 6.566 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.114 5.764 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.254 3.854 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.576 3.489 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.190 5.475 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.372 3.645 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.709 3.615 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.364 2.460 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.154 4.497 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.058 3.346 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.869 5.090 -1.393 1.00 0.00 H new ATOM 201 N GLN A 17 -3.891 4.884 -5.709 1.00 0.00 N ATOM 202 CA GLN A 17 -4.334 4.566 -7.061 1.00 0.00 C ATOM 203 C GLN A 17 -3.996 3.123 -7.420 1.00 0.00 C ATOM 204 O GLN A 17 -3.253 2.453 -6.704 1.00 0.00 O ATOM 205 CB GLN A 17 -3.690 5.519 -8.069 1.00 0.00 C ATOM 206 CG GLN A 17 -4.476 6.804 -8.280 1.00 0.00 C ATOM 207 CD GLN A 17 -4.120 7.498 -9.580 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.947 7.599 -9.943 1.00 0.00 O ATOM 209 NE2 GLN A 17 -5.133 7.983 -10.289 1.00 0.00 N ATOM 0 H GLN A 17 -2.879 4.861 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.417 4.686 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.685 5.769 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.585 5.006 -9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.542 6.579 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.288 7.482 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.089 7.877 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.955 8.462 -11.172 1.00 0.00 H new ATOM 218 N GLY A 18 -4.546 2.650 -8.535 1.00 0.00 N ATOM 219 CA GLY A 18 -4.291 1.289 -8.969 1.00 0.00 C ATOM 220 C GLY A 18 -5.558 0.462 -9.058 1.00 0.00 C ATOM 221 O GLY A 18 -6.405 0.515 -8.167 1.00 0.00 O ATOM 0 H GLY A 18 -5.164 3.186 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.803 1.307 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.598 0.813 -8.275 1.00 0.00 H new ATOM 225 N GLU A 19 -5.688 -0.304 -10.137 1.00 0.00 N ATOM 226 CA GLU A 19 -6.863 -1.144 -10.339 1.00 0.00 C ATOM 227 C GLU A 19 -6.750 -2.439 -9.540 1.00 0.00 C ATOM 228 O GLU A 19 -5.657 -2.978 -9.361 1.00 0.00 O ATOM 229 CB GLU A 19 -7.039 -1.463 -11.825 1.00 0.00 C ATOM 230 CG GLU A 19 -7.162 -0.228 -12.702 1.00 0.00 C ATOM 231 CD GLU A 19 -8.546 0.389 -12.649 1.00 0.00 C ATOM 232 OE1 GLU A 19 -9.534 -0.350 -12.837 1.00 0.00 O ATOM 233 OE2 GLU A 19 -8.641 1.613 -12.419 1.00 0.00 O ATOM 0 H GLU A 19 -4.995 -0.360 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.736 -0.595 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.189 -2.056 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.929 -2.079 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.426 0.512 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.926 -0.494 -13.732 1.00 0.00 H new ATOM 240 N ASP A 20 -7.886 -2.932 -9.061 1.00 0.00 N ATOM 241 CA ASP A 20 -7.917 -4.164 -8.281 1.00 0.00 C ATOM 242 C ASP A 20 -6.903 -4.111 -7.142 1.00 0.00 C ATOM 243 O ASP A 20 -6.092 -5.024 -6.976 1.00 0.00 O ATOM 244 CB ASP A 20 -7.632 -5.369 -9.179 1.00 0.00 C ATOM 245 CG ASP A 20 -8.820 -5.739 -10.045 1.00 0.00 C ATOM 246 OD1 ASP A 20 -9.383 -4.836 -10.698 1.00 0.00 O ATOM 247 OD2 ASP A 20 -9.185 -6.933 -10.071 1.00 0.00 O ATOM 0 H ASP A 20 -8.798 -2.497 -9.199 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.914 -4.269 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.776 -5.149 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.357 -6.223 -8.560 1.00 0.00 H new ATOM 252 N LEU A 21 -6.953 -3.038 -6.362 1.00 0.00 N ATOM 253 CA LEU A 21 -6.038 -2.865 -5.239 1.00 0.00 C ATOM 254 C LEU A 21 -6.320 -3.890 -4.145 1.00 0.00 C ATOM 255 O LEU A 21 -5.397 -4.435 -3.539 1.00 0.00 O ATOM 256 CB LEU A 21 -6.158 -1.449 -4.671 1.00 0.00 C ATOM 257 CG LEU A 21 -5.236 -0.398 -5.288 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.723 1.003 -4.952 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.805 -0.597 -4.809 1.00 0.00 C ATOM 0 H LEU A 21 -7.617 -2.274 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.022 -3.019 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.189 -1.116 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.962 -1.491 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.255 -0.516 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.054 1.738 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.730 1.142 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.734 1.135 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.162 0.160 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.769 -0.506 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.458 -1.588 -5.102 1.00 0.00 H new ATOM 271 N HIS A 22 -7.600 -4.148 -3.898 1.00 0.00 N ATOM 272 CA HIS A 22 -8.003 -5.110 -2.878 1.00 0.00 C ATOM 273 C HIS A 22 -8.007 -6.528 -3.441 1.00 0.00 C ATOM 274 O HIS A 22 -8.719 -7.401 -2.944 1.00 0.00 O ATOM 275 CB HIS A 22 -9.389 -4.760 -2.336 1.00 0.00 C ATOM 276 CG HIS A 22 -9.364 -3.739 -1.241 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.836 -3.988 0.031 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.917 -2.461 -1.231 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.682 -2.906 0.774 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.127 -1.966 0.032 1.00 0.00 N ATOM 0 H HIS A 22 -8.376 -3.705 -4.390 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.280 -5.063 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.007 -4.389 -3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.864 -5.668 -1.964 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.240 -4.869 0.348 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.477 -1.930 -2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.963 -2.808 1.812 1.00 0.00 H new ATOM 289 N ARG A 23 -7.208 -6.750 -4.480 1.00 0.00 N ATOM 290 CA ARG A 23 -7.121 -8.061 -5.111 1.00 0.00 C ATOM 291 C ARG A 23 -5.689 -8.363 -5.543 1.00 0.00 C ATOM 292 O ARG A 23 -5.088 -7.607 -6.305 1.00 0.00 O ATOM 293 CB ARG A 23 -8.056 -8.132 -6.320 1.00 0.00 C ATOM 294 CG ARG A 23 -8.591 -9.527 -6.595 1.00 0.00 C ATOM 295 CD ARG A 23 -9.840 -9.817 -5.777 1.00 0.00 C ATOM 296 NE ARG A 23 -11.057 -9.400 -6.468 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.255 -9.374 -5.896 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.397 -9.739 -4.630 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.315 -8.982 -6.592 1.00 0.00 N ATOM 0 H ARG A 23 -6.612 -6.038 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.427 -8.809 -4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.895 -7.455 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.523 -7.776 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.818 -9.628 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.823 -10.265 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.893 -10.884 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.773 -9.302 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.983 -9.113 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.585 -10.041 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.319 -9.718 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.210 -8.701 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.235 -8.962 -6.152 1.00 0.00 H new ATOM 313 N ALA A 24 -5.149 -9.473 -5.049 1.00 0.00 N ATOM 314 CA ALA A 24 -3.789 -9.875 -5.386 1.00 0.00 C ATOM 315 C ALA A 24 -3.701 -11.382 -5.605 1.00 0.00 C ATOM 316 O ALA A 24 -4.619 -12.124 -5.256 1.00 0.00 O ATOM 317 CB ALA A 24 -2.825 -9.442 -4.291 1.00 0.00 C ATOM 0 H ALA A 24 -5.632 -10.109 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.510 -9.382 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.813 -9.748 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.860 -8.358 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.111 -9.909 -3.349 1.00 0.00 H new ATOM 323 N ARG A 25 -2.591 -11.826 -6.186 1.00 0.00 N ATOM 324 CA ARG A 25 -2.385 -13.244 -6.454 1.00 0.00 C ATOM 325 C ARG A 25 -1.162 -13.766 -5.705 1.00 0.00 C ATOM 326 O ARG A 25 -0.263 -13.002 -5.358 1.00 0.00 O ATOM 327 CB ARG A 25 -2.216 -13.482 -7.956 1.00 0.00 C ATOM 328 CG ARG A 25 -1.874 -14.920 -8.310 1.00 0.00 C ATOM 329 CD ARG A 25 -1.647 -15.087 -9.805 1.00 0.00 C ATOM 330 NE ARG A 25 -0.704 -16.163 -10.098 1.00 0.00 N ATOM 331 CZ ARG A 25 -0.390 -16.548 -11.330 1.00 0.00 C ATOM 332 NH1 ARG A 25 -0.940 -15.949 -12.377 1.00 0.00 N ATOM 333 NH2 ARG A 25 0.477 -17.536 -11.516 1.00 0.00 N ATOM 0 H ARG A 25 -1.821 -11.225 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.264 -13.786 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.137 -13.201 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.430 -12.827 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.979 -15.226 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.682 -15.577 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.598 -15.295 -10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.271 -14.152 -10.221 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.263 -16.645 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.607 -15.190 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.696 -16.247 -13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.902 -17.999 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.718 -17.832 -12.462 1.00 0.00 H new ATOM 347 N GLU A 26 -1.139 -15.073 -5.459 1.00 0.00 N ATOM 348 CA GLU A 26 -0.027 -15.696 -4.750 1.00 0.00 C ATOM 349 C GLU A 26 1.248 -15.648 -5.587 1.00 0.00 C ATOM 350 O GLU A 26 1.247 -16.016 -6.762 1.00 0.00 O ATOM 351 CB GLU A 26 -0.366 -17.146 -4.399 1.00 0.00 C ATOM 352 CG GLU A 26 0.856 -18.011 -4.139 1.00 0.00 C ATOM 353 CD GLU A 26 0.518 -19.293 -3.403 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.518 -19.908 -3.731 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.288 -19.680 -2.500 1.00 0.00 O ATOM 0 H GLU A 26 -1.876 -15.719 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 26 0.143 -15.137 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.004 -17.157 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.943 -17.583 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.331 -18.256 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.581 -17.443 -3.557 1.00 0.00 H new ATOM 362 N LYS A 27 2.334 -15.191 -4.974 1.00 0.00 N ATOM 363 CA LYS A 27 3.617 -15.095 -5.660 1.00 0.00 C ATOM 364 C LYS A 27 3.538 -14.115 -6.826 1.00 0.00 C ATOM 365 O LYS A 27 4.244 -14.265 -7.823 1.00 0.00 O ATOM 366 CB LYS A 27 4.053 -16.472 -6.166 1.00 0.00 C ATOM 367 CG LYS A 27 4.320 -17.471 -5.054 1.00 0.00 C ATOM 368 CD LYS A 27 5.205 -18.612 -5.530 1.00 0.00 C ATOM 369 CE LYS A 27 6.672 -18.213 -5.538 1.00 0.00 C ATOM 370 NZ LYS A 27 7.570 -19.400 -5.476 1.00 0.00 N ATOM 0 H LYS A 27 2.351 -14.881 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 27 4.355 -14.726 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.280 -16.870 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.955 -16.360 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.798 -16.964 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.374 -17.871 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.066 -19.477 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.903 -18.914 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.888 -17.641 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.875 -17.559 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.561 -19.086 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.382 -19.932 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.394 -20.012 -6.299 1.00 0.00 H new ATOM 384 N GLN A 28 2.677 -13.111 -6.693 1.00 0.00 N ATOM 385 CA GLN A 28 2.507 -12.107 -7.736 1.00 0.00 C ATOM 386 C GLN A 28 3.047 -10.755 -7.283 1.00 0.00 C ATOM 387 O GLN A 28 3.049 -10.442 -6.092 1.00 0.00 O ATOM 388 CB GLN A 28 1.031 -11.979 -8.115 1.00 0.00 C ATOM 389 CG GLN A 28 0.807 -11.568 -9.562 1.00 0.00 C ATOM 390 CD GLN A 28 1.150 -10.113 -9.815 1.00 0.00 C ATOM 391 OE1 GLN A 28 2.107 -9.803 -10.525 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.369 -9.210 -9.233 1.00 0.00 N ATOM 0 H GLN A 28 2.086 -12.972 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 28 3.072 -12.429 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.535 -12.933 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.559 -11.246 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.413 -12.199 -10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.235 -11.743 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.414 -9.511 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.552 -8.215 -9.367 1.00 0.00 H new ATOM 401 N THR A 29 3.506 -9.955 -8.240 1.00 0.00 N ATOM 402 CA THR A 29 4.050 -8.637 -7.940 1.00 0.00 C ATOM 403 C THR A 29 2.994 -7.552 -8.118 1.00 0.00 C ATOM 404 O THR A 29 2.733 -7.104 -9.234 1.00 0.00 O ATOM 405 CB THR A 29 5.261 -8.311 -8.835 1.00 0.00 C ATOM 406 OG1 THR A 29 6.209 -9.382 -8.785 1.00 0.00 O ATOM 407 CG2 THR A 29 5.926 -7.016 -8.395 1.00 0.00 C ATOM 0 H THR A 29 3.512 -10.198 -9.231 1.00 0.00 H new ATOM 0 HA THR A 29 4.373 -8.659 -6.899 1.00 0.00 H new ATOM 0 HB THR A 29 4.906 -8.188 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.975 -9.168 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.778 -6.807 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.209 -6.198 -8.463 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.268 -7.114 -7.365 1.00 0.00 H new ATOM 415 N ALA A 30 2.390 -7.133 -7.011 1.00 0.00 N ATOM 416 CA ALA A 30 1.364 -6.098 -7.046 1.00 0.00 C ATOM 417 C ALA A 30 1.959 -4.725 -6.755 1.00 0.00 C ATOM 418 O ALA A 30 2.589 -4.518 -5.717 1.00 0.00 O ATOM 419 CB ALA A 30 0.258 -6.418 -6.051 1.00 0.00 C ATOM 0 H ALA A 30 2.593 -7.494 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 30 0.940 -6.075 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.501 -5.637 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.194 -7.376 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.677 -6.470 -5.046 1.00 0.00 H new ATOM 425 N SER A 31 1.756 -3.789 -7.677 1.00 0.00 N ATOM 426 CA SER A 31 2.277 -2.436 -7.521 1.00 0.00 C ATOM 427 C SER A 31 1.174 -1.403 -7.725 1.00 0.00 C ATOM 428 O SER A 31 0.289 -1.580 -8.562 1.00 0.00 O ATOM 429 CB SER A 31 3.415 -2.188 -8.513 1.00 0.00 C ATOM 430 OG SER A 31 4.393 -3.210 -8.434 1.00 0.00 O ATOM 0 H SER A 31 1.234 -3.943 -8.540 1.00 0.00 H new ATOM 0 HA SER A 31 2.661 -2.335 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.015 -2.141 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.877 -1.222 -8.308 1.00 0.00 H new ATOM 0 HG SER A 31 5.108 -3.029 -9.079 1.00 0.00 H new ATOM 436 N PHE A 32 1.234 -0.322 -6.953 1.00 0.00 N ATOM 437 CA PHE A 32 0.240 0.741 -7.047 1.00 0.00 C ATOM 438 C PHE A 32 0.895 2.111 -6.905 1.00 0.00 C ATOM 439 O PHE A 32 2.058 2.220 -6.516 1.00 0.00 O ATOM 440 CB PHE A 32 -0.833 0.561 -5.972 1.00 0.00 C ATOM 441 CG PHE A 32 -0.273 0.313 -4.601 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.290 -0.912 -4.279 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.309 1.304 -3.633 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.808 -1.143 -3.019 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.207 1.079 -2.371 1.00 0.00 C ATOM 446 CZ PHE A 32 0.765 -0.147 -2.063 1.00 0.00 C ATOM 0 H PHE A 32 1.960 -0.160 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.228 0.682 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.460 1.452 -5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.477 -0.274 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.324 -1.695 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.746 2.264 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.246 -2.101 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.174 1.860 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.167 -0.326 -1.077 1.00 0.00 H new ATOM 456 N THR A 33 0.139 3.158 -7.222 1.00 0.00 N ATOM 457 CA THR A 33 0.644 4.522 -7.132 1.00 0.00 C ATOM 458 C THR A 33 0.044 5.252 -5.936 1.00 0.00 C ATOM 459 O THR A 33 -1.167 5.209 -5.713 1.00 0.00 O ATOM 460 CB THR A 33 0.339 5.320 -8.413 1.00 0.00 C ATOM 461 OG1 THR A 33 1.022 4.737 -9.528 1.00 0.00 O ATOM 462 CG2 THR A 33 0.760 6.774 -8.258 1.00 0.00 C ATOM 0 H THR A 33 -0.826 3.087 -7.544 1.00 0.00 H new ATOM 0 HA THR A 33 1.724 4.452 -7.006 1.00 0.00 H new ATOM 0 HB THR A 33 -0.736 5.286 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.821 5.249 -10.339 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.535 7.318 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.217 7.224 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.831 6.824 -8.060 1.00 0.00 H new ATOM 470 N LEU A 34 0.896 5.924 -5.170 1.00 0.00 N ATOM 471 CA LEU A 34 0.450 6.666 -3.996 1.00 0.00 C ATOM 472 C LEU A 34 0.491 8.169 -4.254 1.00 0.00 C ATOM 473 O LEU A 34 1.565 8.765 -4.341 1.00 0.00 O ATOM 474 CB LEU A 34 1.321 6.320 -2.788 1.00 0.00 C ATOM 475 CG LEU A 34 1.150 7.214 -1.559 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.240 7.047 -0.966 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.217 6.902 -0.520 1.00 0.00 C ATOM 0 H LEU A 34 1.901 5.970 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.581 6.380 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.110 5.291 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.366 6.356 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 34 1.267 8.252 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.343 7.691 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.988 7.322 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.387 6.008 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.080 7.548 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.133 5.859 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.204 7.075 -0.949 1.00 0.00 H new ATOM 489 N LEU A 35 -0.685 8.775 -4.373 1.00 0.00 N ATOM 490 CA LEU A 35 -0.784 10.210 -4.618 1.00 0.00 C ATOM 491 C LEU A 35 -0.673 10.994 -3.315 1.00 0.00 C ATOM 492 O LEU A 35 -1.104 10.528 -2.260 1.00 0.00 O ATOM 493 CB LEU A 35 -2.107 10.539 -5.313 1.00 0.00 C ATOM 494 CG LEU A 35 -2.306 9.928 -6.701 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.772 9.977 -7.100 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.446 10.649 -7.729 1.00 0.00 C ATOM 0 H LEU A 35 -1.583 8.296 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 35 0.042 10.500 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.924 10.208 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.189 11.622 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.996 8.884 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.894 9.538 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.365 9.415 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.110 11.013 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.600 10.201 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.725 11.702 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.396 10.561 -7.451 1.00 0.00 H new ATOM 508 N CYS A 36 -0.095 12.187 -3.396 1.00 0.00 N ATOM 509 CA CYS A 36 0.071 13.038 -2.222 1.00 0.00 C ATOM 510 C CYS A 36 -0.626 14.380 -2.420 1.00 0.00 C ATOM 511 O CYS A 36 -0.458 15.033 -3.450 1.00 0.00 O ATOM 512 CB CYS A 36 1.557 13.258 -1.933 1.00 0.00 C ATOM 513 SG CYS A 36 2.466 11.744 -1.545 1.00 0.00 S ATOM 0 H CYS A 36 0.267 12.587 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.387 12.535 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.018 13.734 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.655 13.952 -1.098 1.00 0.00 H new ATOM 0 HG CYS A 36 3.713 12.033 -1.318 1.00 0.00 H new ATOM 519 N LYS A 37 -1.410 14.785 -1.427 1.00 0.00 N ATOM 520 CA LYS A 37 -2.134 16.049 -1.491 1.00 0.00 C ATOM 521 C LYS A 37 -1.823 16.916 -0.274 1.00 0.00 C ATOM 522 O LYS A 37 -1.143 16.478 0.654 1.00 0.00 O ATOM 523 CB LYS A 37 -3.640 15.794 -1.577 1.00 0.00 C ATOM 524 CG LYS A 37 -4.093 15.276 -2.932 1.00 0.00 C ATOM 525 CD LYS A 37 -3.982 13.763 -3.015 1.00 0.00 C ATOM 526 CE LYS A 37 -4.202 13.266 -4.436 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.595 13.512 -4.900 1.00 0.00 N ATOM 0 H LYS A 37 -1.560 14.256 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.810 16.580 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.923 15.074 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.170 16.720 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.125 15.577 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.488 15.730 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.998 13.449 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.716 13.306 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.502 13.764 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.986 12.199 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.704 13.159 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.262 13.016 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.793 14.533 -4.878 1.00 0.00 H new ATOM 541 N ASP A 38 -2.327 18.145 -0.285 1.00 0.00 N ATOM 542 CA ASP A 38 -2.106 19.072 0.819 1.00 0.00 C ATOM 543 C ASP A 38 -3.267 19.028 1.807 1.00 0.00 C ATOM 544 O ASP A 38 -4.217 18.265 1.630 1.00 0.00 O ATOM 545 CB ASP A 38 -1.924 20.495 0.289 1.00 0.00 C ATOM 546 CG ASP A 38 -3.245 21.167 -0.030 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.273 20.460 -0.084 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.251 22.400 -0.225 1.00 0.00 O ATOM 0 H ASP A 38 -2.891 18.523 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.198 18.768 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.387 21.089 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.307 20.469 -0.609 1.00 0.00 H new ATOM 553 N ALA A 39 -3.184 19.851 2.847 1.00 0.00 N ATOM 554 CA ALA A 39 -4.228 19.906 3.862 1.00 0.00 C ATOM 555 C ALA A 39 -5.583 20.225 3.240 1.00 0.00 C ATOM 556 O ALA A 39 -6.627 19.884 3.794 1.00 0.00 O ATOM 557 CB ALA A 39 -3.877 20.938 4.924 1.00 0.00 C ATOM 0 H ALA A 39 -2.404 20.489 3.009 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.295 18.925 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.665 20.969 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.934 20.666 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.780 21.919 4.460 1.00 0.00 H new ATOM 563 N ALA A 40 -5.558 20.882 2.084 1.00 0.00 N ATOM 564 CA ALA A 40 -6.785 21.245 1.386 1.00 0.00 C ATOM 565 C ALA A 40 -7.314 20.077 0.561 1.00 0.00 C ATOM 566 O ALA A 40 -8.485 20.048 0.187 1.00 0.00 O ATOM 567 CB ALA A 40 -6.547 22.457 0.497 1.00 0.00 C ATOM 0 H ALA A 40 -4.702 21.173 1.612 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.538 21.498 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.471 22.717 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.223 23.299 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.776 22.224 -0.237 1.00 0.00 H new ATOM 573 N GLY A 41 -6.441 19.114 0.279 1.00 0.00 N ATOM 574 CA GLY A 41 -6.839 17.957 -0.501 1.00 0.00 C ATOM 575 C GLY A 41 -6.601 18.149 -1.985 1.00 0.00 C ATOM 576 O GLY A 41 -7.234 17.492 -2.811 1.00 0.00 O ATOM 0 H GLY A 41 -5.465 19.115 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.285 17.083 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.896 17.753 -0.329 1.00 0.00 H new ATOM 580 N GLU A 42 -5.688 19.053 -2.325 1.00 0.00 N ATOM 581 CA GLU A 42 -5.371 19.330 -3.721 1.00 0.00 C ATOM 582 C GLU A 42 -3.933 18.931 -4.042 1.00 0.00 C ATOM 583 O GLU A 42 -3.087 18.850 -3.152 1.00 0.00 O ATOM 584 CB GLU A 42 -5.580 20.814 -4.029 1.00 0.00 C ATOM 585 CG GLU A 42 -4.516 21.717 -3.428 1.00 0.00 C ATOM 586 CD GLU A 42 -5.036 23.107 -3.119 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.250 23.242 -2.857 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.229 24.060 -3.139 1.00 0.00 O ATOM 0 H GLU A 42 -5.155 19.606 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.042 18.738 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.594 20.953 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.557 21.120 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.135 21.264 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.677 21.793 -4.119 1.00 0.00 H new ATOM 595 N ILE A 43 -3.667 18.682 -5.320 1.00 0.00 N ATOM 596 CA ILE A 43 -2.333 18.291 -5.759 1.00 0.00 C ATOM 597 C ILE A 43 -1.289 19.316 -5.326 1.00 0.00 C ATOM 598 O ILE A 43 -1.477 20.519 -5.499 1.00 0.00 O ATOM 599 CB ILE A 43 -2.269 18.127 -7.289 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.354 17.158 -7.765 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.892 17.639 -7.713 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.177 15.750 -7.243 1.00 0.00 C ATOM 0 H ILE A 43 -4.357 18.744 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.115 17.332 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.446 19.098 -7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.328 17.533 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.357 17.135 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.863 17.528 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.138 18.362 -7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.687 16.677 -7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.981 15.118 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.218 15.355 -7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.204 15.760 -6.153 1.00 0.00 H new ATOM 614 N MET A 44 -0.189 18.829 -4.762 1.00 0.00 N ATOM 615 CA MET A 44 0.887 19.702 -4.306 1.00 0.00 C ATOM 616 C MET A 44 2.095 19.606 -5.233 1.00 0.00 C ATOM 617 O MET A 44 2.842 20.569 -5.396 1.00 0.00 O ATOM 618 CB MET A 44 1.295 19.340 -2.877 1.00 0.00 C ATOM 619 CG MET A 44 1.756 17.900 -2.723 1.00 0.00 C ATOM 620 SD MET A 44 2.726 17.638 -1.226 1.00 0.00 S ATOM 621 CE MET A 44 1.538 18.100 0.032 1.00 0.00 C ATOM 0 H MET A 44 -0.019 17.835 -4.610 1.00 0.00 H new ATOM 0 HA MET A 44 0.520 20.728 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.097 20.006 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.450 19.516 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.886 17.244 -2.707 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.352 17.618 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.062 18.520 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.850 18.842 -0.372 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.978 17.219 0.345 1.00 0.00 H new ATOM 631 N GLY A 45 2.280 18.436 -5.837 1.00 0.00 N ATOM 632 CA GLY A 45 3.399 18.236 -6.739 1.00 0.00 C ATOM 633 C GLY A 45 4.733 18.243 -6.019 1.00 0.00 C ATOM 634 O GLY A 45 5.709 18.810 -6.511 1.00 0.00 O ATOM 0 H GLY A 45 1.675 17.623 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.276 17.287 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.395 19.019 -7.497 1.00 0.00 H new ATOM 638 N ARG A 46 4.775 17.613 -4.849 1.00 0.00 N ATOM 639 CA ARG A 46 5.998 17.552 -4.058 1.00 0.00 C ATOM 640 C ARG A 46 6.078 16.240 -3.282 1.00 0.00 C ATOM 641 O ARG A 46 5.163 15.420 -3.333 1.00 0.00 O ATOM 642 CB ARG A 46 6.065 18.735 -3.091 1.00 0.00 C ATOM 643 CG ARG A 46 6.333 20.066 -3.774 1.00 0.00 C ATOM 644 CD ARG A 46 7.648 20.046 -4.537 1.00 0.00 C ATOM 645 NE ARG A 46 8.071 21.387 -4.934 1.00 0.00 N ATOM 646 CZ ARG A 46 8.437 22.327 -4.071 1.00 0.00 C ATOM 647 NH1 ARG A 46 8.434 22.075 -2.769 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.809 23.523 -4.510 1.00 0.00 N ATOM 0 H ARG A 46 3.976 17.138 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 46 6.846 17.602 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.124 18.800 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.849 18.549 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.517 20.295 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.356 20.861 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.420 19.591 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.543 19.421 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 46 8.086 21.613 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.150 21.157 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.716 22.800 -2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.814 23.720 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.090 24.245 -3.847 1.00 0.00 H new ATOM 662 N GLY A 47 7.181 16.050 -2.564 1.00 0.00 N ATOM 663 CA GLY A 47 7.360 14.837 -1.788 1.00 0.00 C ATOM 664 C GLY A 47 7.664 15.121 -0.330 1.00 0.00 C ATOM 665 O GLY A 47 6.862 15.735 0.370 1.00 0.00 O ATOM 0 H GLY A 47 7.953 16.714 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.458 14.229 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.172 14.251 -2.218 1.00 0.00 H new ATOM 669 N GLY A 48 8.828 14.670 0.129 1.00 0.00 N ATOM 670 CA GLY A 48 9.215 14.887 1.511 1.00 0.00 C ATOM 671 C GLY A 48 8.157 14.417 2.489 1.00 0.00 C ATOM 672 O GLY A 48 7.829 15.121 3.445 1.00 0.00 O ATOM 0 H GLY A 48 9.510 14.158 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.149 14.362 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.406 15.948 1.669 1.00 0.00 H new ATOM 676 N ASP A 49 7.619 13.226 2.251 1.00 0.00 N ATOM 677 CA ASP A 49 6.591 12.663 3.118 1.00 0.00 C ATOM 678 C ASP A 49 6.988 11.271 3.598 1.00 0.00 C ATOM 679 O ASP A 49 7.200 10.364 2.794 1.00 0.00 O ATOM 680 CB ASP A 49 5.251 12.601 2.383 1.00 0.00 C ATOM 681 CG ASP A 49 5.400 12.136 0.948 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.960 12.898 0.133 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.955 11.010 0.639 1.00 0.00 O ATOM 0 H ASP A 49 7.878 12.631 1.464 1.00 0.00 H new ATOM 0 HA ASP A 49 6.489 13.312 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.580 11.925 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.786 13.587 2.396 1.00 0.00 H new ATOM 688 N ASN A 50 7.087 11.109 4.914 1.00 0.00 N ATOM 689 CA ASN A 50 7.460 9.827 5.501 1.00 0.00 C ATOM 690 C ASN A 50 6.376 8.782 5.257 1.00 0.00 C ATOM 691 O ASN A 50 5.381 8.723 5.980 1.00 0.00 O ATOM 692 CB ASN A 50 7.706 9.983 7.003 1.00 0.00 C ATOM 693 CG ASN A 50 9.056 10.603 7.307 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.055 9.899 7.454 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.091 11.927 7.402 1.00 0.00 N ATOM 0 H ASN A 50 6.914 11.850 5.594 1.00 0.00 H new ATOM 0 HA ASN A 50 8.379 9.489 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.920 10.602 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.642 9.006 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.971 12.401 7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.238 12.470 7.273 1.00 0.00 H new ATOM 702 N VAL A 51 6.576 7.957 4.234 1.00 0.00 N ATOM 703 CA VAL A 51 5.618 6.912 3.895 1.00 0.00 C ATOM 704 C VAL A 51 6.066 5.559 4.435 1.00 0.00 C ATOM 705 O VAL A 51 7.183 5.115 4.172 1.00 0.00 O ATOM 706 CB VAL A 51 5.420 6.804 2.371 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.530 5.619 2.031 1.00 0.00 C ATOM 708 CG2 VAL A 51 4.836 8.096 1.818 1.00 0.00 C ATOM 0 H VAL A 51 7.394 7.992 3.625 1.00 0.00 H new ATOM 0 HA VAL A 51 4.671 7.189 4.358 1.00 0.00 H new ATOM 0 HB VAL A 51 6.392 6.642 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.401 5.559 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.993 4.701 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.557 5.747 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.702 8.003 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.872 8.290 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.515 8.922 2.029 1.00 0.00 H new ATOM 718 N GLN A 52 5.187 4.909 5.191 1.00 0.00 N ATOM 719 CA GLN A 52 5.494 3.605 5.768 1.00 0.00 C ATOM 720 C GLN A 52 4.622 2.517 5.149 1.00 0.00 C ATOM 721 O GLN A 52 3.394 2.588 5.198 1.00 0.00 O ATOM 722 CB GLN A 52 5.292 3.636 7.284 1.00 0.00 C ATOM 723 CG GLN A 52 6.233 4.588 8.004 1.00 0.00 C ATOM 724 CD GLN A 52 7.573 3.953 8.324 1.00 0.00 C ATOM 725 OE1 GLN A 52 8.552 4.147 7.603 1.00 0.00 O ATOM 726 NE2 GLN A 52 7.622 3.191 9.410 1.00 0.00 N ATOM 0 H GLN A 52 4.258 5.263 5.418 1.00 0.00 H new ATOM 0 HA GLN A 52 6.537 3.376 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.263 3.924 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.432 2.631 7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.392 5.472 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.765 4.925 8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.785 3.058 9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.496 2.738 9.676 1.00 0.00 H new ATOM 735 N VAL A 53 5.266 1.511 4.566 1.00 0.00 N ATOM 736 CA VAL A 53 4.550 0.407 3.938 1.00 0.00 C ATOM 737 C VAL A 53 4.862 -0.915 4.630 1.00 0.00 C ATOM 738 O VAL A 53 5.987 -1.410 4.566 1.00 0.00 O ATOM 739 CB VAL A 53 4.902 0.288 2.443 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.171 -0.888 1.814 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.574 1.582 1.714 1.00 0.00 C ATOM 0 H VAL A 53 6.282 1.438 4.516 1.00 0.00 H new ATOM 0 HA VAL A 53 3.486 0.623 4.037 1.00 0.00 H new ATOM 0 HB VAL A 53 5.973 0.109 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.432 -0.956 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.461 -1.809 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.095 -0.743 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.829 1.480 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.509 1.794 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.148 2.400 2.149 1.00 0.00 H new ATOM 751 N ALA A 54 3.858 -1.483 5.290 1.00 0.00 N ATOM 752 CA ALA A 54 4.025 -2.750 5.992 1.00 0.00 C ATOM 753 C ALA A 54 2.842 -3.678 5.737 1.00 0.00 C ATOM 754 O ALA A 54 1.700 -3.347 6.056 1.00 0.00 O ATOM 755 CB ALA A 54 4.197 -2.508 7.484 1.00 0.00 C ATOM 0 H ALA A 54 2.921 -1.086 5.353 1.00 0.00 H new ATOM 0 HA ALA A 54 4.923 -3.235 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.321 -3.463 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.078 -1.889 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.316 -1.999 7.874 1.00 0.00 H new ATOM 761 N VAL A 55 3.123 -4.842 5.159 1.00 0.00 N ATOM 762 CA VAL A 55 2.082 -5.818 4.862 1.00 0.00 C ATOM 763 C VAL A 55 2.191 -7.033 5.776 1.00 0.00 C ATOM 764 O VAL A 55 3.276 -7.584 5.968 1.00 0.00 O ATOM 765 CB VAL A 55 2.152 -6.285 3.395 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.049 -7.290 3.101 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.064 -5.093 2.453 1.00 0.00 C ATOM 0 H VAL A 55 4.063 -5.131 4.887 1.00 0.00 H new ATOM 0 HA VAL A 55 1.126 -5.323 5.033 1.00 0.00 H new ATOM 0 HB VAL A 55 3.111 -6.777 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.115 -7.608 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.163 -8.156 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.078 -6.827 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.115 -5.440 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.121 -4.571 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.893 -4.413 2.648 1.00 0.00 H new ATOM 777 N VAL A 56 1.060 -7.449 6.337 1.00 0.00 N ATOM 778 CA VAL A 56 1.028 -8.600 7.230 1.00 0.00 C ATOM 779 C VAL A 56 -0.204 -9.462 6.972 1.00 0.00 C ATOM 780 O VAL A 56 -1.336 -8.979 6.951 1.00 0.00 O ATOM 781 CB VAL A 56 1.036 -8.165 8.708 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.967 -9.379 9.623 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.270 -7.329 9.010 1.00 0.00 C ATOM 0 H VAL A 56 0.154 -7.005 6.188 1.00 0.00 H new ATOM 0 HA VAL A 56 1.926 -9.183 7.026 1.00 0.00 H new ATOM 0 HB VAL A 56 0.155 -7.551 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.974 -9.052 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.050 -9.934 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.828 -10.022 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.259 -7.030 10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.166 -7.917 8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.270 -6.440 8.379 1.00 0.00 H new ATOM 793 N PRO A 57 0.020 -10.769 6.772 1.00 0.00 N ATOM 794 CA PRO A 57 -1.059 -11.726 6.512 1.00 0.00 C ATOM 795 C PRO A 57 -1.931 -11.964 7.741 1.00 0.00 C ATOM 796 O PRO A 57 -1.425 -12.189 8.840 1.00 0.00 O ATOM 797 CB PRO A 57 -0.314 -13.007 6.130 1.00 0.00 C ATOM 798 CG PRO A 57 1.017 -12.881 6.787 1.00 0.00 C ATOM 799 CD PRO A 57 1.344 -11.413 6.783 1.00 0.00 C ATOM 0 HA PRO A 57 -1.743 -11.369 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.845 -13.893 6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.215 -13.100 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.989 -13.272 7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.774 -13.451 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.922 -11.128 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.933 -11.135 5.909 1.00 0.00 H new ATOM 807 N LYS A 58 -3.245 -11.912 7.547 1.00 0.00 N ATOM 808 CA LYS A 58 -4.188 -12.123 8.639 1.00 0.00 C ATOM 809 C LYS A 58 -3.956 -13.476 9.305 1.00 0.00 C ATOM 810 O LYS A 58 -4.304 -13.673 10.469 1.00 0.00 O ATOM 811 CB LYS A 58 -5.626 -12.038 8.121 1.00 0.00 C ATOM 812 CG LYS A 58 -6.624 -11.580 9.171 1.00 0.00 C ATOM 813 CD LYS A 58 -6.765 -10.067 9.183 1.00 0.00 C ATOM 814 CE LYS A 58 -5.477 -9.390 9.624 1.00 0.00 C ATOM 815 NZ LYS A 58 -5.706 -7.980 10.044 1.00 0.00 N ATOM 0 H LYS A 58 -3.681 -11.726 6.644 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.028 -11.341 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.659 -11.350 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.927 -13.017 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.595 -12.035 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.303 -11.924 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.038 -9.718 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.575 -9.781 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.038 -9.948 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.757 -9.413 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.213 -7.339 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.725 -7.774 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.340 -7.841 11.008 1.00 0.00 H new ATOM 829 N ASP A 59 -3.365 -14.403 8.559 1.00 0.00 N ATOM 830 CA ASP A 59 -3.083 -15.737 9.078 1.00 0.00 C ATOM 831 C ASP A 59 -1.911 -15.704 10.054 1.00 0.00 C ATOM 832 O ASP A 59 -2.013 -16.187 11.181 1.00 0.00 O ATOM 833 CB ASP A 59 -2.781 -16.701 7.930 1.00 0.00 C ATOM 834 CG ASP A 59 -4.032 -17.127 7.187 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.481 -16.371 6.300 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.564 -18.215 7.494 1.00 0.00 O ATOM 0 H ASP A 59 -3.072 -14.256 7.593 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.967 -16.087 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.092 -16.226 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.277 -17.584 8.324 1.00 0.00 H new ATOM 841 N LYS A 60 -0.796 -15.131 9.611 1.00 0.00 N ATOM 842 CA LYS A 60 0.397 -15.035 10.444 1.00 0.00 C ATOM 843 C LYS A 60 0.699 -13.581 10.795 1.00 0.00 C ATOM 844 O LYS A 60 0.680 -12.706 9.930 1.00 0.00 O ATOM 845 CB LYS A 60 1.597 -15.656 9.725 1.00 0.00 C ATOM 846 CG LYS A 60 1.567 -17.175 9.693 1.00 0.00 C ATOM 847 CD LYS A 60 1.959 -17.769 11.035 1.00 0.00 C ATOM 848 CE LYS A 60 2.274 -19.252 10.917 1.00 0.00 C ATOM 849 NZ LYS A 60 3.022 -19.757 12.102 1.00 0.00 N ATOM 0 H LYS A 60 -0.694 -14.726 8.680 1.00 0.00 H new ATOM 0 HA LYS A 60 0.210 -15.583 11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.632 -15.280 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.513 -15.329 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.567 -17.514 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.247 -17.537 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.828 -17.241 11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.148 -17.624 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.346 -19.813 10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.861 -19.428 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.217 -20.772 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.920 -19.240 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.452 -19.613 12.960 1.00 0.00 H new ATOM 863 N LYS A 61 0.978 -13.332 12.070 1.00 0.00 N ATOM 864 CA LYS A 61 1.287 -11.985 12.537 1.00 0.00 C ATOM 865 C LYS A 61 2.770 -11.851 12.867 1.00 0.00 C ATOM 866 O LYS A 61 3.283 -10.742 13.020 1.00 0.00 O ATOM 867 CB LYS A 61 0.446 -11.645 13.769 1.00 0.00 C ATOM 868 CG LYS A 61 1.114 -10.653 14.706 1.00 0.00 C ATOM 869 CD LYS A 61 0.112 -10.030 15.664 1.00 0.00 C ATOM 870 CE LYS A 61 -0.714 -8.950 14.983 1.00 0.00 C ATOM 871 NZ LYS A 61 -2.007 -8.716 15.684 1.00 0.00 N ATOM 0 H LYS A 61 0.997 -14.045 12.799 1.00 0.00 H new ATOM 0 HA LYS A 61 1.046 -11.285 11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.511 -11.237 13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.232 -12.563 14.317 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.896 -11.157 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.597 -9.869 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.549 -10.804 16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.640 -9.602 16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.144 -8.021 14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.908 -9.238 13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.541 -7.973 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.562 -9.595 15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.822 -8.416 16.662 1.00 0.00 H new ATOM 885 N ASP A 62 3.453 -12.985 12.974 1.00 0.00 N ATOM 886 CA ASP A 62 4.878 -12.994 13.283 1.00 0.00 C ATOM 887 C ASP A 62 5.711 -12.984 12.005 1.00 0.00 C ATOM 888 O ASP A 62 6.841 -12.495 11.993 1.00 0.00 O ATOM 889 CB ASP A 62 5.231 -14.219 14.128 1.00 0.00 C ATOM 890 CG ASP A 62 4.575 -14.189 15.494 1.00 0.00 C ATOM 891 OD1 ASP A 62 4.197 -13.088 15.947 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.439 -15.266 16.111 1.00 0.00 O ATOM 0 H ASP A 62 3.043 -13.911 12.851 1.00 0.00 H new ATOM 0 HA ASP A 62 5.107 -12.093 13.852 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.923 -15.122 13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.313 -14.274 14.249 1.00 0.00 H new ATOM 897 N SER A 63 5.146 -13.527 10.932 1.00 0.00 N ATOM 898 CA SER A 63 5.839 -13.586 9.650 1.00 0.00 C ATOM 899 C SER A 63 5.490 -12.376 8.788 1.00 0.00 C ATOM 900 O SER A 63 4.357 -12.211 8.336 1.00 0.00 O ATOM 901 CB SER A 63 5.479 -14.875 8.910 1.00 0.00 C ATOM 902 OG SER A 63 5.957 -16.013 9.606 1.00 0.00 O ATOM 0 H SER A 63 4.210 -13.933 10.925 1.00 0.00 H new ATOM 0 HA SER A 63 6.912 -13.575 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.397 -14.943 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.905 -14.853 7.907 1.00 0.00 H new ATOM 0 HG SER A 63 5.713 -16.824 9.113 1.00 0.00 H new ATOM 908 N PRO A 64 6.486 -11.509 8.555 1.00 0.00 N ATOM 909 CA PRO A 64 6.309 -10.300 7.746 1.00 0.00 C ATOM 910 C PRO A 64 6.107 -10.616 6.268 1.00 0.00 C ATOM 911 O PRO A 64 6.082 -11.780 5.869 1.00 0.00 O ATOM 912 CB PRO A 64 7.621 -9.538 7.955 1.00 0.00 C ATOM 913 CG PRO A 64 8.618 -10.589 8.302 1.00 0.00 C ATOM 914 CD PRO A 64 7.862 -11.643 9.063 1.00 0.00 C ATOM 0 HA PRO A 64 5.422 -9.739 8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.913 -8.997 7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.528 -8.801 8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.073 -11.007 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.426 -10.176 8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.264 -12.639 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.911 -11.475 10.139 1.00 0.00 H new ATOM 922 N VAL A 65 5.963 -9.571 5.459 1.00 0.00 N ATOM 923 CA VAL A 65 5.765 -9.737 4.024 1.00 0.00 C ATOM 924 C VAL A 65 6.738 -8.873 3.230 1.00 0.00 C ATOM 925 O VAL A 65 6.737 -7.648 3.351 1.00 0.00 O ATOM 926 CB VAL A 65 4.324 -9.380 3.611 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.237 -9.165 2.108 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.357 -10.465 4.060 1.00 0.00 C ATOM 0 H VAL A 65 5.980 -8.601 5.773 1.00 0.00 H new ATOM 0 HA VAL A 65 5.950 -10.787 3.799 1.00 0.00 H new ATOM 0 HB VAL A 65 4.043 -8.449 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.212 -8.914 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.900 -8.350 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.537 -10.077 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.344 -10.196 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.633 -11.413 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.400 -10.564 5.145 1.00 0.00 H new ATOM 938 N ARG A 66 7.568 -9.519 2.419 1.00 0.00 N ATOM 939 CA ARG A 66 8.548 -8.810 1.605 1.00 0.00 C ATOM 940 C ARG A 66 7.881 -7.709 0.787 1.00 0.00 C ATOM 941 O ARG A 66 6.899 -7.951 0.083 1.00 0.00 O ATOM 942 CB ARG A 66 9.272 -9.785 0.674 1.00 0.00 C ATOM 943 CG ARG A 66 10.097 -10.829 1.408 1.00 0.00 C ATOM 944 CD ARG A 66 11.504 -10.328 1.694 1.00 0.00 C ATOM 945 NE ARG A 66 11.556 -9.498 2.895 1.00 0.00 N ATOM 946 CZ ARG A 66 12.688 -9.077 3.448 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.855 -9.405 2.911 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.653 -8.325 4.541 1.00 0.00 N ATOM 0 H ARG A 66 7.582 -10.533 2.308 1.00 0.00 H new ATOM 0 HA ARG A 66 9.275 -8.351 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.537 -10.290 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.925 -9.221 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.605 -11.090 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.148 -11.739 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.175 -11.179 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.865 -9.754 0.841 1.00 0.00 H new ATOM 0 HE ARG A 66 10.675 -9.227 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.885 -9.982 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.722 -9.080 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.757 -8.070 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.522 -8.002 4.966 1.00 0.00 H new ATOM 962 N THR A 67 8.419 -6.497 0.883 1.00 0.00 N ATOM 963 CA THR A 67 7.875 -5.358 0.154 1.00 0.00 C ATOM 964 C THR A 67 8.989 -4.499 -0.433 1.00 0.00 C ATOM 965 O THR A 67 10.144 -4.595 -0.019 1.00 0.00 O ATOM 966 CB THR A 67 6.989 -4.483 1.060 1.00 0.00 C ATOM 967 OG1 THR A 67 7.647 -4.248 2.310 1.00 0.00 O ATOM 968 CG2 THR A 67 5.643 -5.147 1.306 1.00 0.00 C ATOM 0 H THR A 67 9.232 -6.279 1.459 1.00 0.00 H new ATOM 0 HA THR A 67 7.267 -5.761 -0.655 1.00 0.00 H new ATOM 0 HB THR A 67 6.820 -3.532 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.078 -3.689 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.035 -4.510 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.132 -5.297 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.796 -6.111 1.791 1.00 0.00 H new ATOM 976 N MET A 68 8.634 -3.658 -1.400 1.00 0.00 N ATOM 977 CA MET A 68 9.605 -2.780 -2.042 1.00 0.00 C ATOM 978 C MET A 68 9.069 -1.355 -2.137 1.00 0.00 C ATOM 979 O MET A 68 7.943 -1.133 -2.583 1.00 0.00 O ATOM 980 CB MET A 68 9.951 -3.301 -3.438 1.00 0.00 C ATOM 981 CG MET A 68 11.357 -2.941 -3.890 1.00 0.00 C ATOM 982 SD MET A 68 11.771 -3.645 -5.498 1.00 0.00 S ATOM 983 CE MET A 68 12.525 -2.233 -6.301 1.00 0.00 C ATOM 0 H MET A 68 7.682 -3.567 -1.755 1.00 0.00 H new ATOM 0 HA MET A 68 10.508 -2.770 -1.432 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.841 -4.385 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.234 -2.900 -4.154 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.453 -1.856 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.074 -3.292 -3.148 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.835 -2.510 -7.308 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.804 -1.417 -6.355 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.395 -1.911 -5.729 1.00 0.00 H new ATOM 993 N VAL A 69 9.882 -0.392 -1.715 1.00 0.00 N ATOM 994 CA VAL A 69 9.490 1.012 -1.754 1.00 0.00 C ATOM 995 C VAL A 69 10.464 1.832 -2.591 1.00 0.00 C ATOM 996 O VAL A 69 11.614 2.033 -2.203 1.00 0.00 O ATOM 997 CB VAL A 69 9.415 1.613 -0.337 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.774 1.545 0.343 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.908 3.046 -0.393 1.00 0.00 C ATOM 0 H VAL A 69 10.817 -0.558 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 69 8.501 1.052 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 69 8.711 1.026 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.703 1.974 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.093 0.505 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.502 2.107 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.861 3.455 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.586 3.648 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.913 3.063 -0.838 1.00 0.00 H new ATOM 1009 N GLN A 70 9.995 2.304 -3.742 1.00 0.00 N ATOM 1010 CA GLN A 70 10.826 3.103 -4.635 1.00 0.00 C ATOM 1011 C GLN A 70 10.520 4.589 -4.479 1.00 0.00 C ATOM 1012 O GLN A 70 9.573 5.104 -5.074 1.00 0.00 O ATOM 1013 CB GLN A 70 10.608 2.675 -6.087 1.00 0.00 C ATOM 1014 CG GLN A 70 11.795 2.963 -6.991 1.00 0.00 C ATOM 1015 CD GLN A 70 11.762 2.156 -8.274 1.00 0.00 C ATOM 1016 OE1 GLN A 70 10.757 2.141 -8.986 1.00 0.00 O ATOM 1017 NE2 GLN A 70 12.864 1.480 -8.577 1.00 0.00 N ATOM 0 H GLN A 70 9.045 2.147 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 70 11.869 2.936 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.392 1.607 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.730 3.187 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.812 4.025 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.718 2.745 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.674 1.521 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.901 0.920 -9.429 1.00 0.00 H new ATOM 1026 N ASP A 71 11.327 5.273 -3.676 1.00 0.00 N ATOM 1027 CA ASP A 71 11.144 6.700 -3.442 1.00 0.00 C ATOM 1028 C ASP A 71 11.374 7.495 -4.724 1.00 0.00 C ATOM 1029 O ASP A 71 12.462 7.465 -5.297 1.00 0.00 O ATOM 1030 CB ASP A 71 12.096 7.186 -2.348 1.00 0.00 C ATOM 1031 CG ASP A 71 12.138 8.698 -2.247 1.00 0.00 C ATOM 1032 OD1 ASP A 71 12.911 9.322 -3.003 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.398 9.258 -1.411 1.00 0.00 O ATOM 0 H ASP A 71 12.115 4.862 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 71 10.116 6.860 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.786 6.769 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.099 6.810 -2.550 1.00 0.00 H new ATOM 1038 N ASN A 72 10.341 8.204 -5.167 1.00 0.00 N ATOM 1039 CA ASN A 72 10.430 9.006 -6.383 1.00 0.00 C ATOM 1040 C ASN A 72 10.577 10.487 -6.048 1.00 0.00 C ATOM 1041 O ASN A 72 11.352 11.204 -6.680 1.00 0.00 O ATOM 1042 CB ASN A 72 9.191 8.788 -7.254 1.00 0.00 C ATOM 1043 CG ASN A 72 9.306 7.552 -8.124 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.201 7.450 -8.963 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.397 6.604 -7.927 1.00 0.00 N ATOM 0 H ASN A 72 9.433 8.240 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 72 11.314 8.688 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.312 8.699 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.037 9.662 -7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.423 5.749 -8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.673 6.731 -7.220 1.00 0.00 H new ATOM 1052 N LYS A 73 9.827 10.939 -5.048 1.00 0.00 N ATOM 1053 CA LYS A 73 9.873 12.334 -4.627 1.00 0.00 C ATOM 1054 C LYS A 73 9.497 13.263 -5.776 1.00 0.00 C ATOM 1055 O LYS A 73 10.065 14.345 -5.924 1.00 0.00 O ATOM 1056 CB LYS A 73 11.270 12.685 -4.109 1.00 0.00 C ATOM 1057 CG LYS A 73 11.643 11.961 -2.827 1.00 0.00 C ATOM 1058 CD LYS A 73 10.997 12.607 -1.613 1.00 0.00 C ATOM 1059 CE LYS A 73 11.848 13.745 -1.069 1.00 0.00 C ATOM 1060 NZ LYS A 73 11.573 15.028 -1.773 1.00 0.00 N ATOM 0 H LYS A 73 9.180 10.359 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 73 9.149 12.469 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.004 12.446 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.326 13.760 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.333 10.918 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.727 11.964 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.011 12.985 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.850 11.857 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.654 13.867 -0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.903 13.492 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.685 15.820 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.241 15.141 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.601 15.020 -2.142 1.00 0.00 H new ATOM 1074 N ASP A 74 8.536 12.834 -6.587 1.00 0.00 N ATOM 1075 CA ASP A 74 8.082 13.629 -7.722 1.00 0.00 C ATOM 1076 C ASP A 74 6.570 13.829 -7.676 1.00 0.00 C ATOM 1077 O ASP A 74 5.948 14.172 -8.680 1.00 0.00 O ATOM 1078 CB ASP A 74 8.480 12.954 -9.036 1.00 0.00 C ATOM 1079 CG ASP A 74 9.970 13.038 -9.302 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.547 14.128 -9.106 1.00 0.00 O ATOM 1081 OD2 ASP A 74 10.559 12.014 -9.706 1.00 0.00 O ATOM 0 H ASP A 74 8.056 11.940 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 74 8.561 14.606 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.177 11.907 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.940 13.422 -9.859 1.00 0.00 H new ATOM 1086 N GLY A 75 5.985 13.609 -6.503 1.00 0.00 N ATOM 1087 CA GLY A 75 4.551 13.769 -6.348 1.00 0.00 C ATOM 1088 C GLY A 75 3.846 12.453 -6.086 1.00 0.00 C ATOM 1089 O GLY A 75 2.743 12.428 -5.538 1.00 0.00 O ATOM 0 H GLY A 75 6.478 13.323 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.352 14.455 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.140 14.225 -7.249 1.00 0.00 H new ATOM 1093 N THR A 76 4.482 11.354 -6.480 1.00 0.00 N ATOM 1094 CA THR A 76 3.908 10.028 -6.288 1.00 0.00 C ATOM 1095 C THR A 76 4.974 9.023 -5.866 1.00 0.00 C ATOM 1096 O THR A 76 6.170 9.307 -5.935 1.00 0.00 O ATOM 1097 CB THR A 76 3.220 9.522 -7.570 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.195 9.312 -8.598 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.174 10.516 -8.052 1.00 0.00 C ATOM 0 H THR A 76 5.395 11.356 -6.934 1.00 0.00 H new ATOM 0 HA THR A 76 3.164 10.118 -5.497 1.00 0.00 H new ATOM 0 HB THR A 76 2.723 8.579 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.750 8.989 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.702 10.137 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.418 10.652 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.652 11.472 -8.265 1.00 0.00 H new ATOM 1107 N TYR A 77 4.533 7.848 -5.431 1.00 0.00 N ATOM 1108 CA TYR A 77 5.450 6.801 -4.996 1.00 0.00 C ATOM 1109 C TYR A 77 5.130 5.477 -5.682 1.00 0.00 C ATOM 1110 O TYR A 77 4.003 5.250 -6.124 1.00 0.00 O ATOM 1111 CB TYR A 77 5.380 6.631 -3.477 1.00 0.00 C ATOM 1112 CG TYR A 77 6.116 7.709 -2.713 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.497 8.915 -2.405 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.429 7.523 -2.300 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.165 9.903 -1.708 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.105 8.504 -1.602 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.469 9.693 -1.308 1.00 0.00 C ATOM 1118 OH TYR A 77 8.138 10.674 -0.613 1.00 0.00 O ATOM 0 H TYR A 77 3.546 7.597 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 77 6.460 7.099 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.335 6.627 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.795 5.659 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.476 9.082 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.930 6.594 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.670 10.835 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.126 8.342 -1.288 1.00 0.00 H new ATOM 0 HH TYR A 77 7.549 11.447 -0.489 1.00 0.00 H new ATOM 1128 N TYR A 78 6.128 4.605 -5.766 1.00 0.00 N ATOM 1129 CA TYR A 78 5.955 3.303 -6.400 1.00 0.00 C ATOM 1130 C TYR A 78 6.180 2.176 -5.397 1.00 0.00 C ATOM 1131 O TYR A 78 7.316 1.868 -5.036 1.00 0.00 O ATOM 1132 CB TYR A 78 6.920 3.153 -7.577 1.00 0.00 C ATOM 1133 CG TYR A 78 6.476 2.129 -8.597 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.207 2.186 -9.160 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.325 1.105 -8.997 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.796 1.252 -10.092 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.923 0.168 -9.929 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.658 0.246 -10.474 1.00 0.00 C ATOM 1139 OH TYR A 78 5.254 -0.687 -11.402 1.00 0.00 O ATOM 0 H TYR A 78 7.066 4.776 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 78 4.931 3.239 -6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.032 4.119 -8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.902 2.873 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.530 2.974 -8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.316 1.040 -8.572 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.805 1.310 -10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.596 -0.622 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 78 5.980 -1.326 -11.561 1.00 0.00 H new ATOM 1149 N ILE A 79 5.088 1.563 -4.952 1.00 0.00 N ATOM 1150 CA ILE A 79 5.164 0.468 -3.993 1.00 0.00 C ATOM 1151 C ILE A 79 4.899 -0.874 -4.668 1.00 0.00 C ATOM 1152 O ILE A 79 4.166 -0.950 -5.654 1.00 0.00 O ATOM 1153 CB ILE A 79 4.160 0.658 -2.841 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.395 2.000 -2.146 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.273 -0.487 -1.845 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.156 2.565 -1.487 1.00 0.00 C ATOM 0 H ILE A 79 4.140 1.806 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 79 6.176 0.474 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 79 3.151 0.656 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.174 1.878 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.767 2.718 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.557 -0.338 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.061 -1.430 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.283 -0.514 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.397 3.517 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.382 2.719 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.795 1.867 -0.732 1.00 0.00 H new ATOM 1168 N SER A 80 5.500 -1.930 -4.129 1.00 0.00 N ATOM 1169 CA SER A 80 5.331 -3.269 -4.680 1.00 0.00 C ATOM 1170 C SER A 80 5.424 -4.324 -3.581 1.00 0.00 C ATOM 1171 O SER A 80 6.276 -4.242 -2.697 1.00 0.00 O ATOM 1172 CB SER A 80 6.387 -3.539 -5.753 1.00 0.00 C ATOM 1173 OG SER A 80 6.034 -4.660 -6.545 1.00 0.00 O ATOM 0 H SER A 80 6.108 -1.884 -3.311 1.00 0.00 H new ATOM 0 HA SER A 80 4.341 -3.327 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.497 -2.661 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.354 -3.713 -5.281 1.00 0.00 H new ATOM 0 HG SER A 80 5.449 -4.372 -7.277 1.00 0.00 H new ATOM 1179 N TYR A 81 4.541 -5.315 -3.645 1.00 0.00 N ATOM 1180 CA TYR A 81 4.521 -6.386 -2.656 1.00 0.00 C ATOM 1181 C TYR A 81 4.282 -7.738 -3.321 1.00 0.00 C ATOM 1182 O TYR A 81 3.519 -7.845 -4.281 1.00 0.00 O ATOM 1183 CB TYR A 81 3.438 -6.121 -1.609 1.00 0.00 C ATOM 1184 CG TYR A 81 2.031 -6.258 -2.146 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.379 -5.178 -2.728 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.353 -7.469 -2.071 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.094 -5.299 -3.219 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.068 -7.600 -2.561 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.557 -6.512 -3.133 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.837 -6.637 -3.623 1.00 0.00 O ATOM 0 H TYR A 81 3.830 -5.399 -4.371 1.00 0.00 H new ATOM 0 HA TYR A 81 5.494 -6.411 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.570 -6.814 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.569 -5.116 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.886 -4.227 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.839 -8.322 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.398 -4.449 -3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.444 -8.549 -2.496 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.963 -6.017 -4.372 1.00 0.00 H new ATOM 1200 N THR A 82 4.940 -8.770 -2.802 1.00 0.00 N ATOM 1201 CA THR A 82 4.801 -10.115 -3.344 1.00 0.00 C ATOM 1202 C THR A 82 4.520 -11.127 -2.238 1.00 0.00 C ATOM 1203 O THR A 82 5.418 -11.558 -1.515 1.00 0.00 O ATOM 1204 CB THR A 82 6.067 -10.547 -4.108 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.479 -9.505 -5.001 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.816 -11.824 -4.894 1.00 0.00 C ATOM 0 H THR A 82 5.575 -8.699 -2.007 1.00 0.00 H new ATOM 0 HA THR A 82 3.958 -10.091 -4.035 1.00 0.00 H new ATOM 0 HB THR A 82 6.856 -10.736 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.285 -9.786 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.724 -12.109 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.530 -12.623 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.013 -11.657 -5.612 1.00 0.00 H new ATOM 1214 N PRO A 83 3.244 -11.517 -2.103 1.00 0.00 N ATOM 1215 CA PRO A 83 2.815 -12.484 -1.088 1.00 0.00 C ATOM 1216 C PRO A 83 3.317 -13.893 -1.382 1.00 0.00 C ATOM 1217 O PRO A 83 3.472 -14.280 -2.540 1.00 0.00 O ATOM 1218 CB PRO A 83 1.287 -12.432 -1.172 1.00 0.00 C ATOM 1219 CG PRO A 83 0.999 -11.975 -2.560 1.00 0.00 C ATOM 1220 CD PRO A 83 2.121 -11.044 -2.931 1.00 0.00 C ATOM 0 HA PRO A 83 3.210 -12.242 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.846 -13.410 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.873 -11.744 -0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.950 -12.820 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.036 -11.466 -2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.354 -11.099 -3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.870 -10.006 -2.713 1.00 0.00 H new ATOM 1228 N LYS A 84 3.570 -14.659 -0.325 1.00 0.00 N ATOM 1229 CA LYS A 84 4.053 -16.027 -0.469 1.00 0.00 C ATOM 1230 C LYS A 84 2.893 -17.017 -0.455 1.00 0.00 C ATOM 1231 O LYS A 84 2.833 -17.926 -1.283 1.00 0.00 O ATOM 1232 CB LYS A 84 5.037 -16.362 0.654 1.00 0.00 C ATOM 1233 CG LYS A 84 6.304 -15.524 0.623 1.00 0.00 C ATOM 1234 CD LYS A 84 6.876 -15.327 2.017 1.00 0.00 C ATOM 1235 CE LYS A 84 7.623 -16.564 2.493 1.00 0.00 C ATOM 1236 NZ LYS A 84 8.356 -16.314 3.765 1.00 0.00 N ATOM 0 H LYS A 84 3.448 -14.355 0.641 1.00 0.00 H new ATOM 0 HA LYS A 84 4.564 -16.107 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.541 -16.220 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.307 -17.416 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.047 -16.009 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.089 -14.553 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.551 -14.471 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.069 -15.097 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.917 -17.382 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.328 -16.881 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.852 -17.181 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.048 -15.550 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.681 -16.036 4.506 1.00 0.00 H new ATOM 1250 N GLU A 85 1.975 -16.834 0.488 1.00 0.00 N ATOM 1251 CA GLU A 85 0.817 -17.713 0.608 1.00 0.00 C ATOM 1252 C GLU A 85 -0.480 -16.933 0.412 1.00 0.00 C ATOM 1253 O GLU A 85 -0.575 -15.748 0.732 1.00 0.00 O ATOM 1254 CB GLU A 85 0.810 -18.401 1.974 1.00 0.00 C ATOM 1255 CG GLU A 85 1.970 -19.362 2.178 1.00 0.00 C ATOM 1256 CD GLU A 85 1.938 -20.035 3.536 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.707 -19.333 4.542 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.144 -21.266 3.592 1.00 0.00 O ATOM 0 H GLU A 85 2.010 -16.085 1.180 1.00 0.00 H new ATOM 0 HA GLU A 85 0.886 -18.472 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.838 -17.641 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.127 -18.945 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.947 -20.124 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.909 -18.820 2.067 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.503 -17.613 -0.127 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.813 -17.004 -0.378 1.00 0.00 C ATOM 1267 C PRO A 86 -3.567 -16.699 0.912 1.00 0.00 C ATOM 1268 O PRO A 86 -3.299 -17.295 1.955 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.550 -18.073 -1.189 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.902 -19.357 -0.802 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.460 -19.028 -0.532 1.00 0.00 C ATOM 0 HA PRO A 86 -2.727 -16.045 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.615 -18.082 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.459 -17.891 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.377 -19.783 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.991 -20.095 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.044 -19.658 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.842 -19.174 -1.418 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.512 -15.767 0.834 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.290 -15.400 2.002 1.00 0.00 C ATOM 1281 C GLY A 87 -5.479 -13.901 2.125 1.00 0.00 C ATOM 1282 O GLY A 87 -5.057 -13.141 1.253 1.00 0.00 O ATOM 0 H GLY A 87 -4.752 -15.260 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.266 -15.883 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.795 -15.775 2.897 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.117 -13.474 3.211 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.361 -12.055 3.445 1.00 0.00 C ATOM 1288 C VAL A 88 -5.155 -11.390 4.098 1.00 0.00 C ATOM 1289 O VAL A 88 -4.613 -11.892 5.083 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.598 -11.839 4.337 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.420 -12.539 5.675 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.860 -10.353 4.532 1.00 0.00 C ATOM 0 H VAL A 88 -6.474 -14.090 3.942 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.540 -11.599 2.471 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.465 -12.275 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.304 -12.375 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.285 -13.608 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.544 -12.136 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.737 -10.218 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.995 -9.890 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.035 -9.884 3.564 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.739 -10.257 3.543 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.595 -9.523 4.070 1.00 0.00 C ATOM 1304 C TYR A 89 -4.009 -8.129 4.535 1.00 0.00 C ATOM 1305 O TYR A 89 -5.113 -7.667 4.244 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.500 -9.414 3.008 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.701 -10.685 2.830 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.270 -11.811 2.248 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.376 -10.760 3.243 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.545 -12.974 2.083 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.358 -11.919 3.081 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.231 -13.024 2.501 1.00 0.00 C ATOM 1313 OH TYR A 89 0.496 -14.181 2.338 1.00 0.00 O ATOM 0 H TYR A 89 -5.177 -9.827 2.728 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.207 -10.072 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.955 -9.144 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.823 -8.604 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.298 -11.776 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.088 -9.897 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.004 -13.840 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.387 -11.960 3.406 1.00 0.00 H new ATOM 0 HH TYR A 89 0.319 -14.556 1.450 1.00 0.00 H new ATOM 1323 N THR A 90 -3.114 -7.464 5.259 1.00 0.00 N ATOM 1324 CA THR A 90 -3.385 -6.124 5.765 1.00 0.00 C ATOM 1325 C THR A 90 -2.276 -5.154 5.372 1.00 0.00 C ATOM 1326 O THR A 90 -1.207 -5.138 5.982 1.00 0.00 O ATOM 1327 CB THR A 90 -3.534 -6.123 7.298 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.080 -7.371 7.739 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.431 -4.982 7.753 1.00 0.00 C ATOM 0 H THR A 90 -2.196 -7.831 5.508 1.00 0.00 H new ATOM 0 HA THR A 90 -4.324 -5.799 5.316 1.00 0.00 H new ATOM 0 HB THR A 90 -2.546 -5.985 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.391 -7.879 8.216 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.522 -5.001 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.997 -4.032 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.418 -5.094 7.305 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.538 -4.346 4.350 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.563 -3.371 3.877 1.00 0.00 C ATOM 1339 C VAL A 91 -1.571 -2.119 4.747 1.00 0.00 C ATOM 1340 O VAL A 91 -2.405 -1.232 4.569 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.834 -2.969 2.416 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.833 -1.920 1.955 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.794 -4.191 1.511 1.00 0.00 C ATOM 0 H VAL A 91 -3.418 -4.347 3.834 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.584 -3.847 3.939 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.832 -2.534 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.041 -1.649 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.917 -1.035 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.177 -2.324 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.988 -3.888 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.811 -4.658 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.555 -4.904 1.829 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.636 -2.054 5.689 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.535 -0.909 6.587 1.00 0.00 C ATOM 1355 C TRP A 92 0.118 0.277 5.886 1.00 0.00 C ATOM 1356 O TRP A 92 1.339 0.325 5.734 1.00 0.00 O ATOM 1357 CB TRP A 92 0.266 -1.284 7.835 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.474 -2.200 8.763 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.347 -3.191 8.413 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.407 -2.209 10.193 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.827 -3.814 9.539 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.265 -3.231 10.644 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.295 -1.454 11.136 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.438 -3.514 11.996 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.122 -1.736 12.478 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.738 -2.759 12.898 1.00 0.00 C ATOM 0 H TRP A 92 0.062 -2.780 5.850 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.544 -0.621 6.884 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.197 -1.762 7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.535 -0.375 8.372 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.620 -3.447 7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.494 -4.586 9.551 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.961 -0.664 10.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.101 -4.302 12.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.659 -1.158 13.215 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.851 -2.956 13.954 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.702 1.233 5.462 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.203 2.420 4.778 1.00 0.00 C ATOM 1379 C VAL A 93 -0.452 3.676 5.606 1.00 0.00 C ATOM 1380 O VAL A 93 -1.579 4.166 5.686 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.862 2.591 3.396 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.370 3.863 2.723 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.589 1.375 2.523 1.00 0.00 C ATOM 0 H VAL A 93 -1.715 1.209 5.580 1.00 0.00 H new ATOM 0 HA VAL A 93 0.870 2.281 4.646 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.940 2.676 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.846 3.967 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.622 4.723 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.711 3.812 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.061 1.512 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.486 1.256 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.996 0.484 3.002 1.00 0.00 H new ATOM 1393 N CYS A 94 0.607 4.193 6.219 1.00 0.00 N ATOM 1394 CA CYS A 94 0.504 5.393 7.042 1.00 0.00 C ATOM 1395 C CYS A 94 1.636 6.366 6.728 1.00 0.00 C ATOM 1396 O CYS A 94 2.757 5.953 6.429 1.00 0.00 O ATOM 1397 CB CYS A 94 0.530 5.022 8.526 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.652 3.734 8.986 1.00 0.00 S ATOM 0 H CYS A 94 1.547 3.800 6.162 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.444 5.881 6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.534 4.689 8.789 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.326 5.915 9.116 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.553 3.489 10.259 1.00 0.00 H new ATOM 1404 N ILE A 95 1.334 7.658 6.797 1.00 0.00 N ATOM 1405 CA ILE A 95 2.326 8.689 6.520 1.00 0.00 C ATOM 1406 C ILE A 95 2.468 9.646 7.698 1.00 0.00 C ATOM 1407 O ILE A 95 1.489 10.234 8.157 1.00 0.00 O ATOM 1408 CB ILE A 95 1.962 9.496 5.259 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.815 8.563 4.055 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.017 10.558 4.987 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.323 9.261 2.806 1.00 0.00 C ATOM 0 H ILE A 95 0.411 8.016 7.042 1.00 0.00 H new ATOM 0 HA ILE A 95 3.274 8.178 6.354 1.00 0.00 H new ATOM 0 HB ILE A 95 1.007 9.995 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.779 8.098 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.123 7.761 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.746 11.120 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.078 11.237 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.984 10.079 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.243 8.539 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.345 9.702 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.027 10.045 2.526 1.00 0.00 H new ATOM 1423 N LYS A 96 3.696 9.800 8.184 1.00 0.00 N ATOM 1424 CA LYS A 96 3.969 10.688 9.307 1.00 0.00 C ATOM 1425 C LYS A 96 3.252 10.210 10.566 1.00 0.00 C ATOM 1426 O LYS A 96 2.663 11.006 11.295 1.00 0.00 O ATOM 1427 CB LYS A 96 3.535 12.117 8.972 1.00 0.00 C ATOM 1428 CG LYS A 96 4.282 12.719 7.794 1.00 0.00 C ATOM 1429 CD LYS A 96 5.584 13.367 8.233 1.00 0.00 C ATOM 1430 CE LYS A 96 6.088 14.362 7.198 1.00 0.00 C ATOM 1431 NZ LYS A 96 7.434 14.893 7.549 1.00 0.00 N ATOM 0 H LYS A 96 4.518 9.320 7.817 1.00 0.00 H new ATOM 0 HA LYS A 96 5.043 10.675 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.467 12.122 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.685 12.748 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.491 11.942 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.652 13.461 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.436 13.875 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.338 12.597 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.131 13.880 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.382 15.188 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.453 15.921 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.638 14.689 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.153 14.440 6.950 1.00 0.00 H new ATOM 1445 N GLU A 97 3.308 8.905 10.814 1.00 0.00 N ATOM 1446 CA GLU A 97 2.664 8.322 11.985 1.00 0.00 C ATOM 1447 C GLU A 97 1.160 8.576 11.961 1.00 0.00 C ATOM 1448 O GLU A 97 0.567 8.944 12.975 1.00 0.00 O ATOM 1449 CB GLU A 97 3.270 8.898 13.267 1.00 0.00 C ATOM 1450 CG GLU A 97 4.729 8.529 13.470 1.00 0.00 C ATOM 1451 CD GLU A 97 5.419 9.416 14.488 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.047 9.351 15.679 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.330 10.174 14.095 1.00 0.00 O ATOM 0 H GLU A 97 3.792 8.232 10.220 1.00 0.00 H new ATOM 0 HA GLU A 97 2.833 7.245 11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.178 9.984 13.246 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.693 8.546 14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.795 7.490 13.794 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.254 8.600 12.517 1.00 0.00 H new ATOM 1460 N GLN A 98 0.550 8.377 10.797 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.884 8.586 10.641 1.00 0.00 C ATOM 1462 C GLN A 98 -1.439 7.729 9.508 1.00 0.00 C ATOM 1463 O GLN A 98 -0.881 7.696 8.410 1.00 0.00 O ATOM 1464 CB GLN A 98 -1.180 10.062 10.371 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.787 10.981 11.517 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.919 12.448 11.161 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.878 12.856 10.505 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.046 13.252 11.592 1.00 0.00 N ATOM 0 H GLN A 98 1.027 8.071 9.949 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.371 8.289 11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.650 10.371 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.245 10.180 10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.413 10.764 12.383 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.243 10.773 11.808 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.823 12.872 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.010 14.250 11.382 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.540 7.036 9.781 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.170 6.178 8.784 1.00 0.00 C ATOM 1479 C HIS A 99 -3.867 7.012 7.712 1.00 0.00 C ATOM 1480 O HIS A 99 -4.937 7.574 7.946 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.177 5.240 9.451 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.002 5.902 10.510 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -5.621 5.206 11.527 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.308 7.206 10.709 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.273 6.052 12.304 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.099 7.272 11.829 1.00 0.00 N ATOM 0 H HIS A 99 -3.014 7.052 10.684 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.391 5.583 8.308 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.840 4.831 8.689 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.641 4.399 9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.989 8.039 10.100 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.850 5.791 13.179 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.489 8.125 12.229 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.252 7.088 6.536 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.812 7.852 5.429 1.00 0.00 C ATOM 1497 C VAL A 100 -5.275 7.489 5.195 1.00 0.00 C ATOM 1498 O VAL A 100 -5.836 6.650 5.899 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.022 7.617 4.128 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.553 7.956 4.327 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.187 6.181 3.656 1.00 0.00 C ATOM 0 H VAL A 100 -2.365 6.629 6.326 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.741 8.905 5.703 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.421 8.276 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.011 7.784 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.457 9.003 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.137 7.325 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.622 6.033 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.816 5.501 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.242 5.978 3.471 1.00 0.00 H new ATOM 1511 N GLN A 101 -5.885 8.126 4.201 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.283 7.870 3.874 1.00 0.00 C ATOM 1513 C GLN A 101 -7.462 6.463 3.314 1.00 0.00 C ATOM 1514 O GLN A 101 -6.586 5.943 2.623 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.790 8.902 2.865 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.258 8.732 2.508 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.887 10.015 1.999 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.627 11.098 2.525 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.718 9.899 0.971 1.00 0.00 N ATOM 0 H GLN A 101 -5.434 8.823 3.608 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.866 7.953 4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.637 9.902 3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.193 8.833 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.356 7.957 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.804 8.387 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.904 8.981 0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.171 10.728 0.585 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.603 5.851 3.617 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.876 4.509 3.135 1.00 0.00 C ATOM 1530 C GLY A 102 -7.766 3.534 3.476 1.00 0.00 C ATOM 1531 O GLY A 102 -7.318 2.770 2.621 1.00 0.00 O ATOM 0 H GLY A 102 -9.343 6.260 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.812 4.155 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.013 4.535 2.054 1.00 0.00 H new ATOM 1535 N SER A 103 -7.320 3.562 4.728 1.00 0.00 N ATOM 1536 CA SER A 103 -6.251 2.677 5.178 1.00 0.00 C ATOM 1537 C SER A 103 -6.203 2.616 6.702 1.00 0.00 C ATOM 1538 O SER A 103 -6.602 3.549 7.399 1.00 0.00 O ATOM 1539 CB SER A 103 -4.904 3.152 4.632 1.00 0.00 C ATOM 1540 OG SER A 103 -4.654 2.610 3.347 1.00 0.00 O ATOM 0 H SER A 103 -7.682 4.187 5.448 1.00 0.00 H new ATOM 0 HA SER A 103 -6.456 1.676 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.893 4.241 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.107 2.858 5.315 1.00 0.00 H new ATOM 0 HG SER A 103 -5.492 2.568 2.841 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.701 1.491 7.232 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.223 0.374 6.412 1.00 0.00 C ATOM 1548 C PRO A 104 -6.360 -0.352 5.702 1.00 0.00 C ATOM 1549 O PRO A 104 -7.527 -0.204 6.065 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.552 -0.552 7.430 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.222 -0.241 8.724 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.562 1.222 8.673 1.00 0.00 C ATOM 0 HA PRO A 104 -4.558 0.709 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.682 -1.600 7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.479 -0.368 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.119 -0.846 8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.565 -0.460 9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.484 1.439 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.778 1.832 9.122 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.013 -1.136 4.687 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.005 -1.885 3.924 1.00 0.00 C ATOM 1562 C PHE A 105 -6.578 -3.340 3.756 1.00 0.00 C ATOM 1563 O PHE A 105 -5.386 -3.648 3.711 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.218 -1.241 2.552 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.996 -1.276 1.679 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.611 -2.449 1.051 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.233 -0.136 1.486 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.488 -2.485 0.246 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.109 -0.165 0.682 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.735 -1.341 0.062 1.00 0.00 C ATOM 0 H PHE A 105 -5.052 -1.269 4.373 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.944 -1.863 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.034 -1.752 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.527 -0.205 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.195 -3.346 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.520 0.786 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.199 -3.406 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.524 0.731 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.856 -1.367 -0.565 1.00 0.00 H new ATOM 1580 N THR A 106 -7.559 -4.232 3.663 1.00 0.00 N ATOM 1581 CA THR A 106 -7.286 -5.654 3.501 1.00 0.00 C ATOM 1582 C THR A 106 -7.076 -6.010 2.034 1.00 0.00 C ATOM 1583 O THR A 106 -7.480 -5.267 1.140 1.00 0.00 O ATOM 1584 CB THR A 106 -8.431 -6.514 4.067 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.689 -5.870 3.835 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.245 -6.750 5.559 1.00 0.00 C ATOM 0 H THR A 106 -8.550 -3.994 3.697 1.00 0.00 H new ATOM 0 HA THR A 106 -6.373 -5.866 4.058 1.00 0.00 H new ATOM 0 HB THR A 106 -8.417 -7.478 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.412 -6.424 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.066 -7.360 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.301 -7.267 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.235 -5.793 6.080 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.441 -7.153 1.792 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.179 -7.609 0.432 1.00 0.00 C ATOM 1596 C VAL A 107 -6.427 -9.107 0.297 1.00 0.00 C ATOM 1597 O VAL A 107 -5.874 -9.910 1.051 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.733 -7.298 0.005 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.394 -8.012 -1.295 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.529 -5.797 -0.133 1.00 0.00 C ATOM 0 H VAL A 107 -6.099 -7.780 2.520 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.866 -7.070 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.058 -7.664 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.368 -7.780 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.498 -9.088 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.073 -7.680 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.501 -5.596 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.212 -5.405 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.727 -5.313 0.824 1.00 0.00 H new ATOM 1610 N THR A 108 -7.261 -9.480 -0.669 1.00 0.00 N ATOM 1611 CA THR A 108 -7.583 -10.882 -0.902 1.00 0.00 C ATOM 1612 C THR A 108 -6.591 -11.520 -1.869 1.00 0.00 C ATOM 1613 O THR A 108 -6.639 -11.274 -3.074 1.00 0.00 O ATOM 1614 CB THR A 108 -9.007 -11.045 -1.464 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.959 -10.468 -0.563 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.337 -12.514 -1.685 1.00 0.00 C ATOM 0 H THR A 108 -7.726 -8.830 -1.303 1.00 0.00 H new ATOM 0 HA THR A 108 -7.521 -11.385 0.063 1.00 0.00 H new ATOM 0 HB THR A 108 -9.056 -10.529 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.862 -10.574 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.348 -12.604 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.629 -12.943 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.271 -13.048 -0.737 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.693 -12.340 -1.333 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.691 -13.015 -2.148 1.00 0.00 C ATOM 1626 C VAL A 109 -5.139 -14.426 -2.514 1.00 0.00 C ATOM 1627 O VAL A 109 -5.625 -15.173 -1.664 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.335 -13.091 -1.422 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.336 -13.898 -2.239 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.802 -11.694 -1.143 1.00 0.00 C ATOM 0 H VAL A 109 -5.639 -12.553 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.575 -12.426 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.481 -13.597 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.384 -13.941 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.717 -14.909 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.191 -13.423 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.843 -11.766 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.670 -11.160 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.510 -11.153 -0.515 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.972 -14.784 -3.782 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.360 -16.105 -4.261 1.00 0.00 C ATOM 1642 C ARG A 110 -4.130 -16.955 -4.568 1.00 0.00 C ATOM 1643 O ARG A 110 -3.009 -16.448 -4.616 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.233 -15.983 -5.511 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.355 -14.966 -5.373 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.620 -15.604 -4.820 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.349 -16.348 -5.843 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.317 -17.216 -5.571 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.670 -17.448 -4.314 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.935 -17.854 -6.557 1.00 0.00 N ATOM 0 H ARG A 110 -4.570 -14.178 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.932 -16.595 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.605 -15.706 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.664 -16.958 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.036 -14.158 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.566 -14.521 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.360 -16.274 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.265 -14.830 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.101 -16.193 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.198 -16.959 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.414 -18.115 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.667 -17.678 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.678 -18.520 -6.347 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.348 -18.249 -4.775 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.258 -19.169 -5.076 1.00 0.00 C ATOM 1666 C ARG A 111 -2.772 -18.987 -6.511 1.00 0.00 C ATOM 1667 O ARG A 111 -3.413 -18.307 -7.313 1.00 0.00 O ATOM 1668 CB ARG A 111 -3.707 -20.615 -4.858 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.360 -21.240 -6.080 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.751 -20.674 -6.319 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.671 -21.004 -5.234 1.00 0.00 N ATOM 1672 CZ ARG A 111 -7.992 -20.929 -5.342 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -8.547 -20.538 -6.481 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.763 -21.246 -4.309 1.00 0.00 N ATOM 0 H ARG A 111 -5.270 -18.684 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.432 -18.946 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.844 -21.215 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.409 -20.647 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.738 -21.062 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.423 -22.320 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.688 -19.591 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.144 -21.063 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.277 -21.309 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.959 -20.294 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.562 -20.482 -6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.341 -21.548 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.778 -21.188 -4.393 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.636 -19.597 -6.828 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.063 -19.504 -8.166 1.00 0.00 C ATOM 1690 C LYS A 112 -1.414 -20.735 -8.995 1.00 0.00 C ATOM 1691 O LYS A 112 -2.086 -21.649 -8.514 1.00 0.00 O ATOM 1692 CB LYS A 112 0.457 -19.348 -8.083 1.00 0.00 C ATOM 1693 CG LYS A 112 1.153 -20.521 -7.413 1.00 0.00 C ATOM 1694 CD LYS A 112 1.537 -21.590 -8.422 1.00 0.00 C ATOM 1695 CE LYS A 112 2.005 -22.863 -7.733 1.00 0.00 C ATOM 1696 NZ LYS A 112 3.417 -22.758 -7.272 1.00 0.00 N ATOM 0 H LYS A 112 -1.092 -20.162 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.486 -18.626 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.857 -19.226 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.691 -18.436 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.046 -20.169 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.496 -20.952 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.682 -21.813 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.329 -21.213 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.359 -23.073 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.909 -23.704 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.698 -23.645 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.037 -22.583 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.504 -21.972 -6.597 1.00 0.00 H new ATOM 1710 N HIS A 113 -0.954 -20.754 -10.242 1.00 0.00 N ATOM 1711 CA HIS A 113 -1.218 -21.875 -11.137 1.00 0.00 C ATOM 1712 C HIS A 113 -1.057 -23.204 -10.406 1.00 0.00 C ATOM 1713 O HIS A 113 -1.865 -24.118 -10.573 1.00 0.00 O ATOM 1714 CB HIS A 113 -0.278 -21.825 -12.342 1.00 0.00 C ATOM 1715 CG HIS A 113 -0.808 -21.010 -13.481 1.00 0.00 C ATOM 1716 ND1 HIS A 113 0.003 -20.280 -14.325 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -2.075 -20.812 -13.915 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -0.743 -19.668 -15.228 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -2.007 -19.975 -15.001 1.00 0.00 N ATOM 0 H HIS A 113 -0.397 -20.006 -10.655 1.00 0.00 H new ATOM 0 HA HIS A 113 -2.248 -21.795 -11.485 1.00 0.00 H new ATOM 0 HB2 HIS A 113 0.681 -21.414 -12.027 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -0.091 -22.841 -12.689 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -2.972 -21.234 -13.487 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.381 -19.026 -16.017 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.804 -19.644 -15.545 1.00 0.00 H new TER 1728 HIS A 113