USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot -45:sc= -2.42! USER MOD Set 1.2: C 2 ASN :FLIP amide:sc= -6.01! C(o=-9!,f=-8.4!) USER MOD Set 2.1: A 20 SER OG : rot -68:sc= -2.41! USER MOD Set 2.2: B 2 ASN :FLIP amide:sc= -5.8! C(o=-9.3!,f=-8.2!) USER MOD Set 3.1: A 2 ASN :FLIP amide:sc= -5.6! C(o=-9!,f=-8!) USER MOD Set 3.2: C 20 SER OG : rot -47:sc= -2.37! USER MOD Single : A 1 LYS N :NH3+ -158:sc= -0.205 (180deg=-0.648) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.0617 USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= -0.232 (180deg=-1.31!) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0671 (180deg=-0.566) USER MOD Single : A 18 SER OG : rot 87:sc= 0.676 USER MOD Single : A 19 SER OG : rot -67:sc= 0.0675 USER MOD Single : B 1 LYS N :NH3+ -159:sc= -0.217 (180deg=-0.653) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 70:sc= 0.0618 USER MOD Single : B 12 LYS NZ :NH3+ -137:sc= -0.3 (180deg=-1.42!) USER MOD Single : B 13 LYS NZ :NH3+ -160:sc= -0.0557 (180deg=-0.539) USER MOD Single : B 18 SER OG : rot 69:sc= 0.583 USER MOD Single : B 19 SER OG : rot -70:sc= 0.0879 USER MOD Single : C 1 LYS N :NH3+ -160:sc= -0.17 (180deg=-0.549) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 THR OG1 : rot 69:sc= 0.0687 USER MOD Single : C 12 LYS NZ :NH3+ -150:sc= -0.278 (180deg=-1.37!) USER MOD Single : C 13 LYS NZ :NH3+ -160:sc= -0.0373 (180deg=-0.548) USER MOD Single : C 18 SER OG : rot 76:sc= 0.552 USER MOD Single : C 19 SER OG : rot -69:sc= 0.0741 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.962 4.046 15.731 1.00 0.00 N ATOM 2 CA LYS A 1 -8.156 4.877 15.565 1.00 0.00 C ATOM 3 C LYS A 1 -7.768 6.293 15.169 1.00 0.00 C ATOM 4 O LYS A 1 -8.596 7.201 15.167 1.00 0.00 O ATOM 5 CB LYS A 1 -8.950 4.912 16.868 1.00 0.00 C ATOM 6 CG LYS A 1 -9.497 3.514 17.157 1.00 0.00 C ATOM 7 CD LYS A 1 -10.294 3.538 18.460 1.00 0.00 C ATOM 8 CE LYS A 1 -10.838 2.137 18.753 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.611 2.162 20.026 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.220 3.044 15.630 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.771 4.445 14.775 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.313 5.244 17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.768 5.628 16.791 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.133 3.184 16.336 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.677 2.800 17.233 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.659 3.872 19.281 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.116 4.250 18.383 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.476 1.804 17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.017 1.424 18.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.981 1.211 20.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.989 2.462 20.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.403 2.830 19.938 1.00 0.00 H new ATOM 23 N ASN A 2 -6.501 6.473 14.838 1.00 0.00 N ATOM 24 CA ASN A 2 -6.007 7.786 14.445 1.00 0.00 C ATOM 25 C ASN A 2 -6.678 8.262 13.149 1.00 0.00 C ATOM 26 O ASN A 2 -7.143 7.445 12.355 1.00 0.00 O ATOM 27 CB ASN A 2 -4.482 7.758 14.270 1.00 0.00 C ATOM 28 CG ASN A 2 -4.050 6.469 13.584 1.00 0.00 C ATOM 29 OD1 ASN A 2 -4.595 6.122 12.449 1.00 0.00 O flip ATOM 30 ND2 ASN A 2 -3.188 5.758 14.096 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.798 5.734 14.833 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.257 8.489 15.239 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.161 8.617 13.680 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.996 7.840 15.242 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.763 6.030 14.982 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.898 4.896 13.634 1.00 0.00 H new ATOM 37 N PRO A 3 -6.727 9.559 12.910 1.00 0.00 N ATOM 38 CA PRO A 3 -7.349 10.121 11.663 1.00 0.00 C ATOM 39 C PRO A 3 -6.740 9.508 10.392 1.00 0.00 C ATOM 40 O PRO A 3 -7.369 9.499 9.333 1.00 0.00 O ATOM 41 CB PRO A 3 -7.017 11.623 11.740 1.00 0.00 C ATOM 42 CG PRO A 3 -6.828 11.910 13.192 1.00 0.00 C ATOM 43 CD PRO A 3 -6.233 10.639 13.801 1.00 0.00 C ATOM 0 HA PRO A 3 -8.417 9.910 11.608 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.116 11.856 11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.823 12.226 11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.162 12.761 13.338 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.776 12.162 13.666 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.144 10.676 13.820 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.565 10.494 14.829 1.00 0.00 H new ATOM 51 N GLU A 4 -5.522 8.995 10.509 1.00 0.00 N ATOM 52 CA GLU A 4 -4.842 8.381 9.370 1.00 0.00 C ATOM 53 C GLU A 4 -5.619 7.159 8.881 1.00 0.00 C ATOM 54 O GLU A 4 -5.357 6.631 7.795 1.00 0.00 O ATOM 55 CB GLU A 4 -3.424 7.965 9.764 1.00 0.00 C ATOM 56 CG GLU A 4 -2.578 9.214 10.016 1.00 0.00 C ATOM 57 CD GLU A 4 -1.183 8.814 10.484 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.364 9.699 10.667 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.955 7.628 10.652 1.00 0.00 O ATOM 0 H GLU A 4 -4.985 8.990 11.376 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.790 9.113 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.451 7.344 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.977 7.363 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.508 9.806 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.057 9.842 10.768 1.00 0.00 H new ATOM 66 N ALA A 5 -6.572 6.712 9.691 1.00 0.00 N ATOM 67 CA ALA A 5 -7.379 5.551 9.340 1.00 0.00 C ATOM 68 C ALA A 5 -8.101 5.791 8.017 1.00 0.00 C ATOM 69 O ALA A 5 -8.357 4.852 7.263 1.00 0.00 O ATOM 70 CB ALA A 5 -8.409 5.277 10.440 1.00 0.00 C ATOM 0 H ALA A 5 -6.803 7.134 10.590 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.721 4.688 9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.008 4.407 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.894 5.084 11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.059 6.144 10.554 1.00 0.00 H new ATOM 76 N GLU A 6 -8.421 7.048 7.733 1.00 0.00 N ATOM 77 CA GLU A 6 -9.106 7.382 6.489 1.00 0.00 C ATOM 78 C GLU A 6 -8.235 7.009 5.291 1.00 0.00 C ATOM 79 O GLU A 6 -8.727 6.487 4.290 1.00 0.00 O ATOM 80 CB GLU A 6 -9.411 8.880 6.450 1.00 0.00 C ATOM 81 CG GLU A 6 -10.480 9.210 7.492 1.00 0.00 C ATOM 82 CD GLU A 6 -10.747 10.710 7.510 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.109 11.415 6.746 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.584 11.133 8.291 1.00 0.00 O ATOM 0 H GLU A 6 -8.221 7.844 8.338 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.039 6.820 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.505 9.452 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.756 9.166 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.400 8.672 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.153 8.879 8.478 1.00 0.00 H new ATOM 91 N GLU A 7 -6.937 7.264 5.408 1.00 0.00 N ATOM 92 CA GLU A 7 -6.005 6.932 4.336 1.00 0.00 C ATOM 93 C GLU A 7 -5.948 5.423 4.143 1.00 0.00 C ATOM 94 O GLU A 7 -5.841 4.931 3.017 1.00 0.00 O ATOM 95 CB GLU A 7 -4.605 7.485 4.647 1.00 0.00 C ATOM 96 CG GLU A 7 -3.634 7.118 3.514 1.00 0.00 C ATOM 97 CD GLU A 7 -4.107 7.733 2.200 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.765 7.194 1.159 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.800 8.735 2.254 1.00 0.00 O ATOM 0 H GLU A 7 -6.508 7.696 6.227 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.357 7.392 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.650 8.568 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.245 7.078 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.632 7.476 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.570 6.034 3.416 1.00 0.00 H new ATOM 106 N ILE A 8 -6.001 4.694 5.248 1.00 0.00 N ATOM 107 CA ILE A 8 -5.936 3.236 5.201 1.00 0.00 C ATOM 108 C ILE A 8 -7.128 2.697 4.415 1.00 0.00 C ATOM 109 O ILE A 8 -6.992 1.777 3.610 1.00 0.00 O ATOM 110 CB ILE A 8 -5.954 2.666 6.621 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.816 3.288 7.444 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.789 1.146 6.575 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.455 3.065 6.773 1.00 0.00 C ATOM 0 H ILE A 8 -6.089 5.084 6.186 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.011 2.935 4.709 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.909 2.906 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.994 4.357 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.807 2.852 8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.803 0.748 7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.607 0.708 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.840 0.897 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.671 3.517 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.268 1.996 6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.457 3.523 5.784 1.00 0.00 H new ATOM 125 N THR A 9 -8.296 3.275 4.652 1.00 0.00 N ATOM 126 CA THR A 9 -9.499 2.844 3.956 1.00 0.00 C ATOM 127 C THR A 9 -9.330 3.038 2.449 1.00 0.00 C ATOM 128 O THR A 9 -9.717 2.179 1.655 1.00 0.00 O ATOM 129 CB THR A 9 -10.704 3.649 4.443 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.889 3.425 5.834 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.956 3.208 3.685 1.00 0.00 C ATOM 0 H THR A 9 -8.436 4.037 5.315 1.00 0.00 H new ATOM 0 HA THR A 9 -9.665 1.787 4.166 1.00 0.00 H new ATOM 0 HB THR A 9 -10.528 4.710 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.150 3.833 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.814 3.783 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.814 3.379 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.134 2.147 3.862 1.00 0.00 H new ATOM 139 N ARG A 10 -8.755 4.171 2.061 1.00 0.00 N ATOM 140 CA ARG A 10 -8.543 4.463 0.647 1.00 0.00 C ATOM 141 C ARG A 10 -7.619 3.423 0.024 1.00 0.00 C ATOM 142 O ARG A 10 -7.857 2.948 -1.088 1.00 0.00 O ATOM 143 CB ARG A 10 -7.935 5.858 0.483 1.00 0.00 C ATOM 144 CG ARG A 10 -7.804 6.188 -1.005 1.00 0.00 C ATOM 145 CD ARG A 10 -7.361 7.643 -1.173 1.00 0.00 C ATOM 146 NE ARG A 10 -5.998 7.830 -0.685 1.00 0.00 N ATOM 147 CZ ARG A 10 -5.449 9.041 -0.643 1.00 0.00 C ATOM 148 NH1 ARG A 10 -4.220 9.188 -0.233 1.00 0.00 N ATOM 149 NH2 ARG A 10 -6.138 10.084 -1.020 1.00 0.00 N ATOM 0 H ARG A 10 -8.430 4.897 2.699 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.506 4.430 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.563 6.600 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.957 5.898 0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.080 5.521 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.757 6.027 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.418 7.926 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.040 8.300 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.460 7.022 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.678 8.374 0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.801 10.117 -0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.098 9.970 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.717 11.012 -0.988 1.00 0.00 H new ATOM 163 N CYS A 11 -6.569 3.065 0.750 1.00 0.00 N ATOM 164 CA CYS A 11 -5.624 2.072 0.265 1.00 0.00 C ATOM 165 C CYS A 11 -6.329 0.743 0.037 1.00 0.00 C ATOM 166 O CYS A 11 -6.031 0.022 -0.914 1.00 0.00 O ATOM 167 CB CYS A 11 -4.500 1.885 1.280 1.00 0.00 C ATOM 168 SG CYS A 11 -3.182 0.883 0.538 1.00 0.00 S ATOM 0 H CYS A 11 -6.352 3.445 1.671 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.205 2.420 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.107 2.854 1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.882 1.397 2.177 1.00 0.00 H new ATOM 173 N LYS A 12 -7.264 0.423 0.920 1.00 0.00 N ATOM 174 CA LYS A 12 -8.000 -0.827 0.805 1.00 0.00 C ATOM 175 C LYS A 12 -8.778 -0.861 -0.505 1.00 0.00 C ATOM 176 O LYS A 12 -8.794 -1.875 -1.202 1.00 0.00 O ATOM 177 CB LYS A 12 -8.970 -0.976 1.983 1.00 0.00 C ATOM 178 CG LYS A 12 -9.706 -2.326 1.927 1.00 0.00 C ATOM 179 CD LYS A 12 -8.732 -3.474 2.222 1.00 0.00 C ATOM 180 CE LYS A 12 -9.520 -4.756 2.474 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.445 -4.546 3.620 1.00 0.00 N ATOM 0 H LYS A 12 -7.529 1.004 1.715 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.288 -1.653 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.422 -0.896 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.695 -0.162 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.520 -2.335 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.154 -2.464 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.051 -3.612 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.121 -3.233 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.083 -5.032 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.839 -5.580 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.448 -5.393 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.128 -3.726 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.406 -4.372 3.263 1.00 0.00 H new ATOM 195 N LYS A 13 -9.429 0.250 -0.831 1.00 0.00 N ATOM 196 CA LYS A 13 -10.213 0.322 -2.055 1.00 0.00 C ATOM 197 C LYS A 13 -9.316 0.119 -3.268 1.00 0.00 C ATOM 198 O LYS A 13 -9.691 -0.562 -4.223 1.00 0.00 O ATOM 199 CB LYS A 13 -10.918 1.678 -2.151 1.00 0.00 C ATOM 200 CG LYS A 13 -12.019 1.762 -1.093 1.00 0.00 C ATOM 201 CD LYS A 13 -12.724 3.117 -1.195 1.00 0.00 C ATOM 202 CE LYS A 13 -13.800 3.217 -0.114 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.818 2.149 -0.326 1.00 0.00 N ATOM 0 H LYS A 13 -9.429 1.103 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.964 -0.468 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.199 2.484 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.345 1.807 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.737 0.955 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.592 1.636 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.001 3.924 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.173 3.231 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.350 3.114 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.274 4.198 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.692 2.397 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.020 2.059 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.453 1.245 0.035 1.00 0.00 H new ATOM 217 N LEU A 14 -8.128 0.704 -3.222 1.00 0.00 N ATOM 218 CA LEU A 14 -7.184 0.571 -4.322 1.00 0.00 C ATOM 219 C LEU A 14 -6.773 -0.889 -4.494 1.00 0.00 C ATOM 220 O LEU A 14 -6.658 -1.388 -5.612 1.00 0.00 O ATOM 221 CB LEU A 14 -5.947 1.432 -4.051 1.00 0.00 C ATOM 222 CG LEU A 14 -6.321 2.921 -4.150 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.147 3.775 -3.654 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.658 3.300 -5.607 1.00 0.00 C ATOM 0 H LEU A 14 -7.797 1.271 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.664 0.910 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.549 1.212 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.163 1.195 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.199 3.105 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.410 4.831 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.927 3.523 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.269 3.579 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.920 4.357 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.792 3.110 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.500 2.701 -5.953 1.00 0.00 H new ATOM 236 N LEU A 15 -6.554 -1.572 -3.382 1.00 0.00 N ATOM 237 CA LEU A 15 -6.166 -2.974 -3.430 1.00 0.00 C ATOM 238 C LEU A 15 -7.290 -3.819 -4.032 1.00 0.00 C ATOM 239 O LEU A 15 -7.049 -4.724 -4.828 1.00 0.00 O ATOM 240 CB LEU A 15 -5.836 -3.460 -2.016 1.00 0.00 C ATOM 241 CG LEU A 15 -4.544 -2.782 -1.527 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.361 -3.060 -0.031 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.318 -3.312 -2.301 1.00 0.00 C ATOM 0 H LEU A 15 -6.637 -1.184 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.284 -3.079 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.659 -3.229 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.715 -4.543 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.626 -1.709 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.446 -2.581 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.213 -2.662 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.293 -4.135 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.417 -2.818 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.229 -4.388 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.442 -3.105 -3.364 1.00 0.00 H new ATOM 255 N ASP A 16 -8.522 -3.504 -3.652 1.00 0.00 N ATOM 256 CA ASP A 16 -9.685 -4.228 -4.160 1.00 0.00 C ATOM 257 C ASP A 16 -9.869 -3.978 -5.655 1.00 0.00 C ATOM 258 O ASP A 16 -10.386 -4.827 -6.382 1.00 0.00 O ATOM 259 CB ASP A 16 -10.938 -3.795 -3.401 1.00 0.00 C ATOM 260 CG ASP A 16 -10.891 -4.334 -1.975 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.070 -5.199 -1.715 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.675 -3.871 -1.162 1.00 0.00 O ATOM 0 H ASP A 16 -8.743 -2.755 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.521 -5.295 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.008 -2.707 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.828 -4.164 -3.910 1.00 0.00 H new ATOM 267 N ASP A 17 -9.444 -2.803 -6.102 1.00 0.00 N ATOM 268 CA ASP A 17 -9.565 -2.420 -7.506 1.00 0.00 C ATOM 269 C ASP A 17 -8.725 -3.344 -8.378 1.00 0.00 C ATOM 270 O ASP A 17 -8.788 -3.284 -9.603 1.00 0.00 O ATOM 271 CB ASP A 17 -9.127 -0.967 -7.712 1.00 0.00 C ATOM 272 CG ASP A 17 -10.153 -0.021 -7.097 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.243 -0.478 -6.798 1.00 0.00 O ATOM 274 OD2 ASP A 17 -9.833 1.145 -6.932 1.00 0.00 O ATOM 0 H ASP A 17 -9.010 -2.094 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.612 -2.511 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.151 -0.805 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.020 -0.758 -8.776 1.00 0.00 H new ATOM 279 N SER A 18 -7.925 -4.186 -7.740 1.00 0.00 N ATOM 280 CA SER A 18 -7.060 -5.102 -8.468 1.00 0.00 C ATOM 281 C SER A 18 -7.880 -5.969 -9.412 1.00 0.00 C ATOM 282 O SER A 18 -7.413 -6.351 -10.487 1.00 0.00 O ATOM 283 CB SER A 18 -6.302 -5.995 -7.484 1.00 0.00 C ATOM 284 OG SER A 18 -5.466 -5.189 -6.665 1.00 0.00 O ATOM 0 H SER A 18 -7.857 -4.254 -6.725 1.00 0.00 H new ATOM 0 HA SER A 18 -6.349 -4.518 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.005 -6.554 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.703 -6.726 -8.026 1.00 0.00 H new ATOM 0 HG SER A 18 -5.975 -4.871 -5.891 1.00 0.00 H new ATOM 290 N SER A 19 -9.100 -6.271 -9.009 1.00 0.00 N ATOM 291 CA SER A 19 -9.985 -7.095 -9.833 1.00 0.00 C ATOM 292 C SER A 19 -10.641 -6.258 -10.926 1.00 0.00 C ATOM 293 O SER A 19 -11.273 -6.790 -11.839 1.00 0.00 O ATOM 294 CB SER A 19 -11.069 -7.737 -8.968 1.00 0.00 C ATOM 295 OG SER A 19 -11.943 -6.727 -8.484 1.00 0.00 O ATOM 0 H SER A 19 -9.505 -5.964 -8.124 1.00 0.00 H new ATOM 0 HA SER A 19 -9.382 -7.875 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.628 -8.470 -9.550 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.615 -8.272 -8.134 1.00 0.00 H new ATOM 0 HG SER A 19 -11.459 -6.148 -7.859 1.00 0.00 H new ATOM 301 N SER A 20 -10.477 -4.951 -10.823 1.00 0.00 N ATOM 302 CA SER A 20 -11.044 -4.029 -11.805 1.00 0.00 C ATOM 303 C SER A 20 -10.179 -3.983 -13.061 1.00 0.00 C ATOM 304 O SER A 20 -8.968 -4.201 -13.002 1.00 0.00 O ATOM 305 CB SER A 20 -11.160 -2.627 -11.211 1.00 0.00 C ATOM 306 OG SER A 20 -9.882 -2.004 -11.231 1.00 0.00 O ATOM 0 H SER A 20 -9.957 -4.499 -10.071 1.00 0.00 H new ATOM 0 HA SER A 20 -12.038 -4.388 -12.074 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.875 -2.035 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.535 -2.682 -10.189 1.00 0.00 H new ATOM 0 HG SER A 20 -9.285 -2.463 -10.604 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.810 -3.698 -14.200 1.00 0.00 N ATOM 314 CA LYS B 1 -10.099 -3.623 -15.478 1.00 0.00 C ATOM 315 C LYS B 1 -9.821 -2.173 -15.845 1.00 0.00 C ATOM 316 O LYS B 1 -9.417 -1.870 -16.966 1.00 0.00 O ATOM 317 CB LYS B 1 -10.931 -4.279 -16.579 1.00 0.00 C ATOM 318 CG LYS B 1 -11.036 -5.778 -16.300 1.00 0.00 C ATOM 319 CD LYS B 1 -11.865 -6.447 -17.396 1.00 0.00 C ATOM 320 CE LYS B 1 -11.970 -7.947 -17.116 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.784 -8.593 -18.183 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.685 -4.645 -13.788 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.151 -4.152 -15.378 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.925 -3.833 -16.616 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.469 -4.109 -17.551 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.041 -6.221 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.498 -5.946 -15.327 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.860 -6.004 -17.435 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.403 -6.280 -18.369 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.976 -8.392 -17.082 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.428 -8.115 -16.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.857 -9.613 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.736 -8.174 -18.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.329 -8.443 -19.106 1.00 0.00 H new ATOM 335 N ASN B 2 -10.044 -1.285 -14.895 1.00 0.00 N ATOM 336 CA ASN B 2 -9.819 0.136 -15.130 1.00 0.00 C ATOM 337 C ASN B 2 -8.333 0.426 -15.384 1.00 0.00 C ATOM 338 O ASN B 2 -7.468 -0.334 -14.947 1.00 0.00 O ATOM 339 CB ASN B 2 -10.322 0.964 -13.938 1.00 0.00 C ATOM 340 CG ASN B 2 -9.956 0.285 -12.625 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.718 -0.053 -12.389 1.00 0.00 O flip ATOM 342 ND2 ASN B 2 -10.827 0.061 -11.787 1.00 0.00 N flip ATOM 0 H ASN B 2 -10.378 -1.516 -13.959 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.380 0.421 -16.020 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.886 1.963 -13.972 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.403 1.086 -14.002 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -11.794 0.326 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -10.583 -0.390 -10.905 1.00 0.00 H new ATOM 349 N PRO B 3 -8.015 1.509 -16.069 1.00 0.00 N ATOM 350 CA PRO B 3 -6.591 1.887 -16.357 1.00 0.00 C ATOM 351 C PRO B 3 -5.747 1.964 -15.076 1.00 0.00 C ATOM 352 O PRO B 3 -4.524 1.830 -15.117 1.00 0.00 O ATOM 353 CB PRO B 3 -6.707 3.278 -17.007 1.00 0.00 C ATOM 354 CG PRO B 3 -8.081 3.327 -17.588 1.00 0.00 C ATOM 355 CD PRO B 3 -8.964 2.480 -16.669 1.00 0.00 C ATOM 0 HA PRO B 3 -6.094 1.152 -16.990 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.562 4.069 -16.271 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.949 3.417 -17.778 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -8.445 4.353 -17.640 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -8.088 2.934 -18.605 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.449 3.089 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.754 1.976 -17.225 1.00 0.00 H new ATOM 363 N GLU B 4 -6.410 2.175 -13.944 1.00 0.00 N ATOM 364 CA GLU B 4 -5.717 2.262 -12.661 1.00 0.00 C ATOM 365 C GLU B 4 -5.020 0.941 -12.338 1.00 0.00 C ATOM 366 O GLU B 4 -4.190 0.864 -11.426 1.00 0.00 O ATOM 367 CB GLU B 4 -6.705 2.610 -11.547 1.00 0.00 C ATOM 368 CG GLU B 4 -7.213 4.039 -11.742 1.00 0.00 C ATOM 369 CD GLU B 4 -8.243 4.377 -10.670 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.697 5.508 -10.646 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.563 3.497 -9.887 1.00 0.00 O ATOM 0 H GLU B 4 -7.422 2.289 -13.887 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.966 3.049 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.541 1.911 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -6.221 2.514 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.380 4.740 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.658 4.144 -12.731 1.00 0.00 H new ATOM 378 N ALA B 5 -5.366 -0.097 -13.090 1.00 0.00 N ATOM 379 CA ALA B 5 -4.778 -1.414 -12.877 1.00 0.00 C ATOM 380 C ALA B 5 -3.261 -1.343 -13.022 1.00 0.00 C ATOM 381 O ALA B 5 -2.533 -2.099 -12.380 1.00 0.00 O ATOM 382 CB ALA B 5 -5.341 -2.409 -13.895 1.00 0.00 C ATOM 0 H ALA B 5 -6.047 -0.053 -13.848 1.00 0.00 H new ATOM 0 HA ALA B 5 -5.026 -1.747 -11.869 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.896 -3.390 -13.729 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.423 -2.476 -13.778 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.105 -2.070 -14.904 1.00 0.00 H new ATOM 388 N GLU B 6 -2.786 -0.429 -13.861 1.00 0.00 N ATOM 389 CA GLU B 6 -1.350 -0.275 -14.065 1.00 0.00 C ATOM 390 C GLU B 6 -0.676 0.124 -12.755 1.00 0.00 C ATOM 391 O GLU B 6 0.406 -0.364 -12.425 1.00 0.00 O ATOM 392 CB GLU B 6 -1.087 0.797 -15.123 1.00 0.00 C ATOM 393 CG GLU B 6 -1.547 0.288 -16.489 1.00 0.00 C ATOM 394 CD GLU B 6 -1.360 1.374 -17.542 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.915 2.452 -17.182 1.00 0.00 O ATOM 396 OE2 GLU B 6 -1.667 1.115 -18.694 1.00 0.00 O ATOM 0 H GLU B 6 -3.366 0.210 -14.405 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.939 -1.226 -14.405 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.618 1.714 -14.867 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -0.025 1.041 -15.153 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.978 -0.600 -16.766 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.595 -0.007 -16.442 1.00 0.00 H new ATOM 403 N GLU B 7 -1.329 1.003 -12.005 1.00 0.00 N ATOM 404 CA GLU B 7 -0.793 1.444 -10.723 1.00 0.00 C ATOM 405 C GLU B 7 -0.740 0.273 -9.748 1.00 0.00 C ATOM 406 O GLU B 7 0.193 0.152 -8.953 1.00 0.00 O ATOM 407 CB GLU B 7 -1.644 2.584 -10.142 1.00 0.00 C ATOM 408 CG GLU B 7 -1.071 3.028 -8.787 1.00 0.00 C ATOM 409 CD GLU B 7 0.356 3.534 -8.963 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.111 3.468 -8.005 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.674 3.986 -10.050 1.00 0.00 O ATOM 0 H GLU B 7 -2.224 1.422 -12.259 1.00 0.00 H new ATOM 0 HA GLU B 7 0.218 1.819 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.659 3.426 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.675 2.253 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.694 3.814 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.085 2.193 -8.086 1.00 0.00 H new ATOM 418 N ILE B 8 -1.758 -0.575 -9.807 1.00 0.00 N ATOM 419 CA ILE B 8 -1.835 -1.729 -8.915 1.00 0.00 C ATOM 420 C ILE B 8 -0.647 -2.651 -9.170 1.00 0.00 C ATOM 421 O ILE B 8 -0.040 -3.176 -8.236 1.00 0.00 O ATOM 422 CB ILE B 8 -3.141 -2.490 -9.157 1.00 0.00 C ATOM 423 CG1 ILE B 8 -4.333 -1.531 -9.004 1.00 0.00 C ATOM 424 CG2 ILE B 8 -3.267 -3.638 -8.153 1.00 0.00 C ATOM 425 CD1 ILE B 8 -4.327 -0.848 -7.631 1.00 0.00 C ATOM 0 H ILE B 8 -2.538 -0.489 -10.458 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.811 -1.385 -7.881 1.00 0.00 H new ATOM 0 HB ILE B 8 -3.136 -2.900 -10.167 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.297 -0.775 -9.789 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -5.265 -2.082 -9.134 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -4.198 -4.176 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -2.425 -4.320 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -3.267 -3.237 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -5.182 -0.177 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -4.388 -1.604 -6.848 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.406 -0.277 -7.513 1.00 0.00 H new ATOM 437 N THR B 9 -0.318 -2.849 -10.439 1.00 0.00 N ATOM 438 CA THR B 9 0.801 -3.707 -10.797 1.00 0.00 C ATOM 439 C THR B 9 2.097 -3.162 -10.200 1.00 0.00 C ATOM 440 O THR B 9 2.922 -3.918 -9.689 1.00 0.00 O ATOM 441 CB THR B 9 0.933 -3.786 -12.319 1.00 0.00 C ATOM 442 OG1 THR B 9 -0.252 -4.348 -12.867 1.00 0.00 O ATOM 443 CG2 THR B 9 2.131 -4.664 -12.685 1.00 0.00 C ATOM 0 H THR B 9 -0.806 -2.431 -11.231 1.00 0.00 H new ATOM 0 HA THR B 9 0.616 -4.704 -10.398 1.00 0.00 H new ATOM 0 HB THR B 9 1.082 -2.785 -12.723 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.991 -3.712 -12.769 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.224 -4.719 -13.770 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.040 -4.233 -12.265 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.984 -5.666 -12.282 1.00 0.00 H new ATOM 451 N ARG B 10 2.271 -1.846 -10.272 1.00 0.00 N ATOM 452 CA ARG B 10 3.473 -1.216 -9.735 1.00 0.00 C ATOM 453 C ARG B 10 3.568 -1.456 -8.232 1.00 0.00 C ATOM 454 O ARG B 10 4.641 -1.752 -7.705 1.00 0.00 O ATOM 455 CB ARG B 10 3.449 0.288 -10.018 1.00 0.00 C ATOM 456 CG ARG B 10 4.753 0.923 -9.534 1.00 0.00 C ATOM 457 CD ARG B 10 4.805 2.388 -9.970 1.00 0.00 C ATOM 458 NE ARG B 10 3.787 3.172 -9.278 1.00 0.00 N ATOM 459 CZ ARG B 10 3.588 4.452 -9.580 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.691 5.144 -8.934 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.292 5.017 -10.523 1.00 0.00 N ATOM 0 H ARG B 10 1.603 -1.200 -10.692 1.00 0.00 H new ATOM 0 HA ARG B 10 4.344 -1.657 -10.220 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.321 0.465 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.599 0.749 -9.514 1.00 0.00 H new ATOM 0 HG2 ARG B 10 4.822 0.854 -8.448 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.606 0.381 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.792 2.800 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.653 2.457 -11.047 1.00 0.00 H new ATOM 0 HE ARG B 10 3.220 2.732 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.141 4.704 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG B 10 2.539 6.126 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG B 10 4.995 4.477 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.140 5.999 -10.755 1.00 0.00 H new ATOM 475 N CYS B 11 2.439 -1.333 -7.549 1.00 0.00 N ATOM 476 CA CYS B 11 2.404 -1.549 -6.111 1.00 0.00 C ATOM 477 C CYS B 11 2.826 -2.973 -5.780 1.00 0.00 C ATOM 478 O CYS B 11 3.501 -3.218 -4.781 1.00 0.00 O ATOM 479 CB CYS B 11 0.994 -1.300 -5.583 1.00 0.00 C ATOM 480 SG CYS B 11 1.032 -1.281 -3.769 1.00 0.00 S ATOM 0 H CYS B 11 1.541 -1.086 -7.965 1.00 0.00 H new ATOM 0 HA CYS B 11 3.097 -0.854 -5.638 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.613 -0.351 -5.961 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.318 -2.078 -5.937 1.00 0.00 H new ATOM 485 N LYS B 12 2.418 -3.911 -6.623 1.00 0.00 N ATOM 486 CA LYS B 12 2.758 -5.309 -6.402 1.00 0.00 C ATOM 487 C LYS B 12 4.271 -5.496 -6.437 1.00 0.00 C ATOM 488 O LYS B 12 4.838 -6.200 -5.603 1.00 0.00 O ATOM 489 CB LYS B 12 2.105 -6.186 -7.477 1.00 0.00 C ATOM 490 CG LYS B 12 2.382 -7.679 -7.216 1.00 0.00 C ATOM 491 CD LYS B 12 1.616 -8.153 -5.975 1.00 0.00 C ATOM 492 CE LYS B 12 1.644 -9.678 -5.915 1.00 0.00 C ATOM 493 NZ LYS B 12 1.025 -10.228 -7.150 1.00 0.00 N ATOM 0 H LYS B 12 1.858 -3.733 -7.457 1.00 0.00 H new ATOM 0 HA LYS B 12 2.386 -5.607 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.030 -6.009 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.487 -5.908 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS B 12 2.084 -8.268 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.451 -7.838 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.065 -7.734 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.586 -7.798 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.671 -10.031 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS B 12 1.104 -10.029 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.401 -11.022 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 0.470 -9.485 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.771 -10.563 -7.793 1.00 0.00 H new ATOM 507 N LYS B 13 4.917 -4.867 -7.411 1.00 0.00 N ATOM 508 CA LYS B 13 6.361 -4.986 -7.545 1.00 0.00 C ATOM 509 C LYS B 13 7.053 -4.431 -6.307 1.00 0.00 C ATOM 510 O LYS B 13 8.030 -5.001 -5.822 1.00 0.00 O ATOM 511 CB LYS B 13 6.839 -4.232 -8.790 1.00 0.00 C ATOM 512 CG LYS B 13 6.365 -4.967 -10.047 1.00 0.00 C ATOM 513 CD LYS B 13 6.844 -4.213 -11.291 1.00 0.00 C ATOM 514 CE LYS B 13 6.340 -4.927 -12.547 1.00 0.00 C ATOM 515 NZ LYS B 13 6.908 -6.303 -12.598 1.00 0.00 N ATOM 0 H LYS B 13 4.469 -4.276 -8.112 1.00 0.00 H new ATOM 0 HA LYS B 13 6.615 -6.041 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.450 -3.214 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.926 -4.158 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.754 -5.985 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.278 -5.041 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.477 -3.187 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.933 -4.162 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.251 -4.972 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.631 -4.369 -13.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.858 -6.663 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.900 -6.281 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.363 -6.927 -11.970 1.00 0.00 H new ATOM 529 N LEU B 14 6.536 -3.324 -5.794 1.00 0.00 N ATOM 530 CA LEU B 14 7.110 -2.710 -4.605 1.00 0.00 C ATOM 531 C LEU B 14 6.992 -3.655 -3.412 1.00 0.00 C ATOM 532 O LEU B 14 7.917 -3.786 -2.613 1.00 0.00 O ATOM 533 CB LEU B 14 6.385 -1.396 -4.301 1.00 0.00 C ATOM 534 CG LEU B 14 6.726 -0.356 -5.382 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.833 0.878 -5.204 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.209 0.058 -5.288 1.00 0.00 C ATOM 0 H LEU B 14 5.727 -2.836 -6.178 1.00 0.00 H new ATOM 0 HA LEU B 14 8.165 -2.506 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.308 -1.562 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.680 -1.025 -3.319 1.00 0.00 H new ATOM 0 HG LEU B 14 6.551 -0.798 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.074 1.615 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.787 0.587 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.002 1.310 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.431 0.794 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.404 0.491 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.841 -0.819 -5.430 1.00 0.00 H new ATOM 548 N LEU B 15 5.851 -4.318 -3.297 1.00 0.00 N ATOM 549 CA LEU B 15 5.634 -5.252 -2.202 1.00 0.00 C ATOM 550 C LEU B 15 6.607 -6.428 -2.308 1.00 0.00 C ATOM 551 O LEU B 15 7.163 -6.886 -1.312 1.00 0.00 O ATOM 552 CB LEU B 15 4.190 -5.754 -2.241 1.00 0.00 C ATOM 553 CG LEU B 15 3.234 -4.604 -1.877 1.00 0.00 C ATOM 554 CD1 LEU B 15 1.793 -5.027 -2.182 1.00 0.00 C ATOM 555 CD2 LEU B 15 3.359 -4.241 -0.380 1.00 0.00 C ATOM 0 H LEU B 15 5.067 -4.228 -3.943 1.00 0.00 H new ATOM 0 HA LEU B 15 5.812 -4.743 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU B 15 3.954 -6.136 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.063 -6.581 -1.543 1.00 0.00 H new ATOM 0 HG LEU B 15 3.499 -3.728 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.113 -4.215 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.698 -5.258 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.541 -5.910 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.674 -3.426 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.110 -5.111 0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.381 -3.930 -0.165 1.00 0.00 H new ATOM 567 N ASP B 16 6.814 -6.903 -3.531 1.00 0.00 N ATOM 568 CA ASP B 16 7.725 -8.017 -3.774 1.00 0.00 C ATOM 569 C ASP B 16 9.167 -7.616 -3.467 1.00 0.00 C ATOM 570 O ASP B 16 9.988 -8.448 -3.080 1.00 0.00 O ATOM 571 CB ASP B 16 7.613 -8.478 -5.226 1.00 0.00 C ATOM 572 CG ASP B 16 6.277 -9.180 -5.446 1.00 0.00 C ATOM 573 OD1 ASP B 16 5.638 -9.515 -4.461 1.00 0.00 O ATOM 574 OD2 ASP B 16 5.913 -9.371 -6.594 1.00 0.00 O ATOM 0 H ASP B 16 6.364 -6.535 -4.369 1.00 0.00 H new ATOM 0 HA ASP B 16 7.446 -8.838 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP B 16 7.699 -7.622 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP B 16 8.433 -9.155 -5.466 1.00 0.00 H new ATOM 579 N ASP B 17 9.462 -6.335 -3.651 1.00 0.00 N ATOM 580 CA ASP B 17 10.802 -5.810 -3.407 1.00 0.00 C ATOM 581 C ASP B 17 11.162 -5.948 -1.934 1.00 0.00 C ATOM 582 O ASP B 17 12.293 -5.692 -1.534 1.00 0.00 O ATOM 583 CB ASP B 17 10.897 -4.342 -3.834 1.00 0.00 C ATOM 584 CG ASP B 17 10.850 -4.237 -5.354 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.013 -5.257 -6.003 1.00 0.00 O ATOM 586 OD2 ASP B 17 10.651 -3.139 -5.848 1.00 0.00 O ATOM 0 H ASP B 17 8.789 -5.637 -3.970 1.00 0.00 H new ATOM 0 HA ASP B 17 11.508 -6.389 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.076 -3.774 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP B 17 11.823 -3.905 -3.460 1.00 0.00 H new ATOM 591 N SER B 18 10.186 -6.338 -1.126 1.00 0.00 N ATOM 592 CA SER B 18 10.405 -6.484 0.305 1.00 0.00 C ATOM 593 C SER B 18 11.555 -7.446 0.569 1.00 0.00 C ATOM 594 O SER B 18 12.292 -7.298 1.544 1.00 0.00 O ATOM 595 CB SER B 18 9.134 -7.012 0.974 1.00 0.00 C ATOM 596 OG SER B 18 8.088 -6.063 0.812 1.00 0.00 O ATOM 0 H SER B 18 9.239 -6.558 -1.436 1.00 0.00 H new ATOM 0 HA SER B 18 10.656 -5.508 0.720 1.00 0.00 H new ATOM 0 HB2 SER B 18 8.846 -7.966 0.532 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.315 -7.193 2.033 1.00 0.00 H new ATOM 0 HG SER B 18 7.824 -6.025 -0.131 1.00 0.00 H new ATOM 602 N SER B 19 11.704 -8.425 -0.305 1.00 0.00 N ATOM 603 CA SER B 19 12.775 -9.411 -0.163 1.00 0.00 C ATOM 604 C SER B 19 14.096 -8.855 -0.682 1.00 0.00 C ATOM 605 O SER B 19 15.159 -9.444 -0.477 1.00 0.00 O ATOM 606 CB SER B 19 12.427 -10.687 -0.927 1.00 0.00 C ATOM 607 OG SER B 19 12.424 -10.414 -2.322 1.00 0.00 O ATOM 0 H SER B 19 11.104 -8.563 -1.118 1.00 0.00 H new ATOM 0 HA SER B 19 12.881 -9.641 0.897 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.151 -11.469 -0.700 1.00 0.00 H new ATOM 0 HB3 SER B 19 11.450 -11.056 -0.615 1.00 0.00 H new ATOM 0 HG SER B 19 11.659 -9.843 -2.542 1.00 0.00 H new ATOM 613 N SER B 20 14.018 -7.715 -1.347 1.00 0.00 N ATOM 614 CA SER B 20 15.206 -7.062 -1.890 1.00 0.00 C ATOM 615 C SER B 20 15.949 -6.305 -0.793 1.00 0.00 C ATOM 616 O SER B 20 15.345 -5.855 0.182 1.00 0.00 O ATOM 617 CB SER B 20 14.818 -6.093 -3.005 1.00 0.00 C ATOM 618 OG SER B 20 14.300 -4.902 -2.429 1.00 0.00 O ATOM 0 H SER B 20 13.145 -7.219 -1.526 1.00 0.00 H new ATOM 0 HA SER B 20 15.861 -7.833 -2.297 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.686 -5.865 -3.623 1.00 0.00 H new ATOM 0 HB3 SER B 20 14.074 -6.550 -3.657 1.00 0.00 H new ATOM 0 HG SER B 20 13.675 -5.131 -1.710 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 17.265 -6.169 -0.954 1.00 0.00 N ATOM 626 CA LYS C 1 18.094 -5.465 0.027 1.00 0.00 C ATOM 627 C LYS C 1 18.386 -4.048 -0.443 1.00 0.00 C ATOM 628 O LYS C 1 19.223 -3.350 0.125 1.00 0.00 O ATOM 629 CB LYS C 1 19.408 -6.215 0.236 1.00 0.00 C ATOM 630 CG LYS C 1 19.118 -7.557 0.908 1.00 0.00 C ATOM 631 CD LYS C 1 20.426 -8.318 1.117 1.00 0.00 C ATOM 632 CE LYS C 1 20.135 -9.661 1.787 1.00 0.00 C ATOM 633 NZ LYS C 1 21.412 -10.404 1.984 1.00 0.00 N ATOM 0 H3 LYS C 1 16.798 -6.978 -0.497 1.00 0.00 H new ATOM 0 HA LYS C 1 17.549 -5.420 0.970 1.00 0.00 H new ATOM 0 HB2 LYS C 1 19.906 -6.374 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.084 -5.624 0.854 1.00 0.00 H new ATOM 0 HG2 LYS C 1 18.622 -7.396 1.865 1.00 0.00 H new ATOM 0 HG3 LYS C 1 18.438 -8.145 0.291 1.00 0.00 H new ATOM 0 HD2 LYS C 1 20.923 -8.477 0.160 1.00 0.00 H new ATOM 0 HD3 LYS C 1 21.105 -7.731 1.735 1.00 0.00 H new ATOM 0 HE2 LYS C 1 19.642 -9.502 2.746 1.00 0.00 H new ATOM 0 HE3 LYS C 1 19.452 -10.247 1.171 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 21.215 -11.318 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 21.864 -10.567 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 22.049 -9.846 2.588 1.00 0.00 H new ATOM 647 N ASN C 2 17.691 -3.635 -1.488 1.00 0.00 N ATOM 648 CA ASN C 2 17.884 -2.299 -2.034 1.00 0.00 C ATOM 649 C ASN C 2 17.482 -1.221 -1.017 1.00 0.00 C ATOM 650 O ASN C 2 16.670 -1.478 -0.128 1.00 0.00 O ATOM 651 CB ASN C 2 17.081 -2.125 -3.331 1.00 0.00 C ATOM 652 CG ASN C 2 15.709 -2.774 -3.200 1.00 0.00 C ATOM 653 OD1 ASN C 2 14.938 -2.466 -2.193 1.00 0.00 O flip ATOM 654 ND2 ASN C 2 15.330 -3.583 -4.044 1.00 0.00 N flip ATOM 0 H ASN C 2 16.993 -4.198 -1.974 1.00 0.00 H new ATOM 0 HA ASN C 2 18.944 -2.181 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.968 -1.065 -3.556 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.623 -2.572 -4.164 1.00 0.00 H new ATOM 0 HD21 ASN C 2 15.935 -3.821 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.410 -4.016 -3.959 1.00 0.00 H new ATOM 661 N PRO C 3 18.018 -0.021 -1.134 1.00 0.00 N ATOM 662 CA PRO C 3 17.677 1.104 -0.200 1.00 0.00 C ATOM 663 C PRO C 3 16.162 1.349 -0.125 1.00 0.00 C ATOM 664 O PRO C 3 15.660 1.897 0.856 1.00 0.00 O ATOM 665 CB PRO C 3 18.384 2.322 -0.823 1.00 0.00 C ATOM 666 CG PRO C 3 19.509 1.757 -1.625 1.00 0.00 C ATOM 667 CD PRO C 3 19.025 0.399 -2.141 1.00 0.00 C ATOM 0 HA PRO C 3 17.990 0.894 0.823 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.701 2.894 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.752 3.000 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO C 3 19.768 2.418 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO C 3 20.405 1.645 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.587 0.482 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.843 -0.317 -2.212 1.00 0.00 H new ATOM 675 N GLU C 4 15.446 0.938 -1.165 1.00 0.00 N ATOM 676 CA GLU C 4 13.996 1.116 -1.208 1.00 0.00 C ATOM 677 C GLU C 4 13.328 0.339 -0.076 1.00 0.00 C ATOM 678 O GLU C 4 12.143 0.531 0.216 1.00 0.00 O ATOM 679 CB GLU C 4 13.444 0.643 -2.555 1.00 0.00 C ATOM 680 CG GLU C 4 13.929 1.581 -3.662 1.00 0.00 C ATOM 681 CD GLU C 4 13.431 1.088 -5.016 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.682 1.765 -6.000 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.805 0.042 -5.049 1.00 0.00 O ATOM 0 H GLU C 4 15.841 0.481 -1.987 1.00 0.00 H new ATOM 0 HA GLU C 4 13.777 2.177 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.773 -0.376 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.354 0.627 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.567 2.592 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU C 4 15.018 1.627 -3.660 1.00 0.00 H new ATOM 690 N ALA C 5 14.094 -0.544 0.556 1.00 0.00 N ATOM 691 CA ALA C 5 13.570 -1.352 1.649 1.00 0.00 C ATOM 692 C ALA C 5 13.046 -0.453 2.764 1.00 0.00 C ATOM 693 O ALA C 5 12.108 -0.816 3.475 1.00 0.00 O ATOM 694 CB ALA C 5 14.673 -2.258 2.204 1.00 0.00 C ATOM 0 H ALA C 5 15.074 -0.717 0.331 1.00 0.00 H new ATOM 0 HA ALA C 5 12.753 -1.965 1.268 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.273 -2.859 3.021 1.00 0.00 H new ATOM 0 HB2 ALA C 5 15.036 -2.915 1.414 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.496 -1.645 2.573 1.00 0.00 H new ATOM 700 N GLU C 6 13.647 0.721 2.915 1.00 0.00 N ATOM 701 CA GLU C 6 13.216 1.655 3.949 1.00 0.00 C ATOM 702 C GLU C 6 11.769 2.075 3.704 1.00 0.00 C ATOM 703 O GLU C 6 10.974 2.181 4.639 1.00 0.00 O ATOM 704 CB GLU C 6 14.115 2.893 3.937 1.00 0.00 C ATOM 705 CG GLU C 6 15.515 2.511 4.418 1.00 0.00 C ATOM 706 CD GLU C 6 16.440 3.722 4.351 1.00 0.00 C ATOM 707 OE1 GLU C 6 15.983 4.769 3.921 1.00 0.00 O ATOM 708 OE2 GLU C 6 17.591 3.584 4.730 1.00 0.00 O ATOM 0 H GLU C 6 14.425 1.047 2.342 1.00 0.00 H new ATOM 0 HA GLU C 6 13.288 1.164 4.919 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.166 3.309 2.931 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.696 3.666 4.581 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.467 2.136 5.440 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.913 1.705 3.801 1.00 0.00 H new ATOM 715 N GLU C 7 11.429 2.295 2.440 1.00 0.00 N ATOM 716 CA GLU C 7 10.069 2.680 2.081 1.00 0.00 C ATOM 717 C GLU C 7 9.104 1.545 2.405 1.00 0.00 C ATOM 718 O GLU C 7 7.977 1.779 2.846 1.00 0.00 O ATOM 719 CB GLU C 7 9.983 3.043 0.591 1.00 0.00 C ATOM 720 CG GLU C 7 8.543 3.438 0.229 1.00 0.00 C ATOM 721 CD GLU C 7 8.117 4.657 1.040 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.926 4.816 1.252 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.987 5.417 1.432 1.00 0.00 O ATOM 0 H GLU C 7 12.071 2.214 1.651 1.00 0.00 H new ATOM 0 HA GLU C 7 9.792 3.559 2.663 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.662 3.867 0.369 1.00 0.00 H new ATOM 0 HB3 GLU C 7 10.300 2.196 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.474 3.658 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.868 2.605 0.427 1.00 0.00 H new ATOM 730 N ILE C 8 9.550 0.319 2.169 1.00 0.00 N ATOM 731 CA ILE C 8 8.716 -0.854 2.421 1.00 0.00 C ATOM 732 C ILE C 8 8.376 -0.929 3.907 1.00 0.00 C ATOM 733 O ILE C 8 7.242 -1.228 4.282 1.00 0.00 O ATOM 734 CB ILE C 8 9.458 -2.124 1.998 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.892 -2.004 0.529 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.550 -3.343 2.172 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.692 -1.727 -0.387 1.00 0.00 C ATOM 0 H ILE C 8 10.479 0.108 1.805 1.00 0.00 H new ATOM 0 HA ILE C 8 7.797 -0.770 1.842 1.00 0.00 H new ATOM 0 HB ILE C 8 10.341 -2.247 2.626 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.622 -1.201 0.428 1.00 0.00 H new ATOM 0 HG13 ILE C 8 10.385 -2.925 0.217 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.086 -4.242 1.869 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.256 -3.431 3.218 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.660 -3.225 1.554 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.033 -1.648 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE C 8 7.975 -2.543 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE C 8 8.215 -0.793 -0.090 1.00 0.00 H new ATOM 749 N THR C 9 9.359 -0.654 4.749 1.00 0.00 N ATOM 750 CA THR C 9 9.143 -0.691 6.188 1.00 0.00 C ATOM 751 C THR C 9 8.074 0.324 6.585 1.00 0.00 C ATOM 752 O THR C 9 7.211 0.039 7.415 1.00 0.00 O ATOM 753 CB THR C 9 10.448 -0.373 6.921 1.00 0.00 C ATOM 754 OG1 THR C 9 11.423 -1.352 6.592 1.00 0.00 O ATOM 755 CG2 THR C 9 10.202 -0.382 8.430 1.00 0.00 C ATOM 0 H THR C 9 10.307 -0.405 4.465 1.00 0.00 H new ATOM 0 HA THR C 9 8.808 -1.690 6.466 1.00 0.00 H new ATOM 0 HB THR C 9 10.805 0.612 6.620 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.682 -1.253 5.652 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.132 -0.155 8.952 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.453 0.369 8.681 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.846 -1.366 8.735 1.00 0.00 H new ATOM 763 N ARG C 10 8.138 1.512 5.993 1.00 0.00 N ATOM 764 CA ARG C 10 7.169 2.560 6.299 1.00 0.00 C ATOM 765 C ARG C 10 5.765 2.105 5.921 1.00 0.00 C ATOM 766 O ARG C 10 4.806 2.325 6.664 1.00 0.00 O ATOM 767 CB ARG C 10 7.522 3.839 5.536 1.00 0.00 C ATOM 768 CG ARG C 10 6.559 4.957 5.939 1.00 0.00 C ATOM 769 CD ARG C 10 7.013 6.277 5.312 1.00 0.00 C ATOM 770 NE ARG C 10 6.874 6.239 3.860 1.00 0.00 N ATOM 771 CZ ARG C 10 7.296 7.250 3.107 1.00 0.00 C ATOM 772 NH1 ARG C 10 7.139 7.212 1.812 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.864 8.286 3.662 1.00 0.00 N ATOM 0 H ARG C 10 8.844 1.773 5.304 1.00 0.00 H new ATOM 0 HA ARG C 10 7.199 2.763 7.370 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.549 4.133 5.754 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.462 3.663 4.462 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.548 4.716 5.611 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.528 5.050 7.025 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.422 7.099 5.716 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.052 6.472 5.577 1.00 0.00 H new ATOM 0 HE ARG C 10 6.447 5.426 3.417 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.692 6.406 1.376 1.00 0.00 H new ATOM 0 HH12 ARG C 10 7.463 7.989 1.236 1.00 0.00 H new ATOM 0 HH21 ARG C 10 7.984 8.320 4.674 1.00 0.00 H new ATOM 0 HH22 ARG C 10 8.187 9.061 3.083 1.00 0.00 H new ATOM 787 N CYS C 11 5.650 1.464 4.766 1.00 0.00 N ATOM 788 CA CYS C 11 4.360 0.973 4.305 1.00 0.00 C ATOM 789 C CYS C 11 3.796 -0.037 5.294 1.00 0.00 C ATOM 790 O CYS C 11 2.591 -0.076 5.540 1.00 0.00 O ATOM 791 CB CYS C 11 4.513 0.315 2.937 1.00 0.00 C ATOM 792 SG CYS C 11 2.870 0.004 2.234 1.00 0.00 S ATOM 0 H CYS C 11 6.429 1.273 4.135 1.00 0.00 H new ATOM 0 HA CYS C 11 3.674 1.816 4.227 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.089 0.960 2.273 1.00 0.00 H new ATOM 0 HB3 CYS C 11 5.064 -0.621 3.030 1.00 0.00 H new ATOM 797 N LYS C 12 4.674 -0.856 5.854 1.00 0.00 N ATOM 798 CA LYS C 12 4.244 -1.866 6.810 1.00 0.00 C ATOM 799 C LYS C 12 3.611 -1.204 8.028 1.00 0.00 C ATOM 800 O LYS C 12 2.573 -1.648 8.518 1.00 0.00 O ATOM 801 CB LYS C 12 5.443 -2.715 7.253 1.00 0.00 C ATOM 802 CG LYS C 12 5.001 -3.842 8.205 1.00 0.00 C ATOM 803 CD LYS C 12 4.194 -4.899 7.440 1.00 0.00 C ATOM 804 CE LYS C 12 4.033 -6.141 8.313 1.00 0.00 C ATOM 805 NZ LYS C 12 5.378 -6.665 8.671 1.00 0.00 N ATOM 0 H LYS C 12 5.677 -0.843 5.666 1.00 0.00 H new ATOM 0 HA LYS C 12 3.506 -2.508 6.329 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.932 -3.144 6.378 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.178 -2.082 7.750 1.00 0.00 H new ATOM 0 HG2 LYS C 12 5.875 -4.304 8.664 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.398 -3.429 9.013 1.00 0.00 H new ATOM 0 HD2 LYS C 12 3.216 -4.501 7.170 1.00 0.00 H new ATOM 0 HD3 LYS C 12 4.701 -5.157 6.510 1.00 0.00 H new ATOM 0 HE2 LYS C 12 3.473 -5.896 9.215 1.00 0.00 H new ATOM 0 HE3 LYS C 12 3.463 -6.903 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.327 -7.696 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 6.051 -6.442 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 5.698 -6.224 9.557 1.00 0.00 H new ATOM 819 N LYS C 13 4.247 -0.146 8.519 1.00 0.00 N ATOM 820 CA LYS C 13 3.735 0.556 9.687 1.00 0.00 C ATOM 821 C LYS C 13 2.354 1.125 9.397 1.00 0.00 C ATOM 822 O LYS C 13 1.462 1.079 10.244 1.00 0.00 O ATOM 823 CB LYS C 13 4.690 1.684 10.085 1.00 0.00 C ATOM 824 CG LYS C 13 5.986 1.089 10.643 1.00 0.00 C ATOM 825 CD LYS C 13 6.938 2.220 11.039 1.00 0.00 C ATOM 826 CE LYS C 13 8.245 1.626 11.568 1.00 0.00 C ATOM 827 NZ LYS C 13 7.963 0.813 12.785 1.00 0.00 N ATOM 0 H LYS C 13 5.108 0.240 8.131 1.00 0.00 H new ATOM 0 HA LYS C 13 3.658 -0.152 10.512 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.909 2.311 9.220 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.221 2.324 10.832 1.00 0.00 H new ATOM 0 HG2 LYS C 13 5.768 0.463 11.508 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.456 0.449 9.896 1.00 0.00 H new ATOM 0 HD2 LYS C 13 7.138 2.859 10.179 1.00 0.00 H new ATOM 0 HD3 LYS C 13 6.477 2.848 11.801 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.711 1.005 10.803 1.00 0.00 H new ATOM 0 HE3 LYS C 13 8.950 2.423 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 8.839 0.693 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 7.253 1.298 13.370 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 7.600 -0.120 12.503 1.00 0.00 H new ATOM 841 N LEU C 14 2.179 1.654 8.195 1.00 0.00 N ATOM 842 CA LEU C 14 0.897 2.221 7.805 1.00 0.00 C ATOM 843 C LEU C 14 -0.177 1.136 7.794 1.00 0.00 C ATOM 844 O LEU C 14 -1.304 1.356 8.229 1.00 0.00 O ATOM 845 CB LEU C 14 1.016 2.853 6.415 1.00 0.00 C ATOM 846 CG LEU C 14 1.904 4.107 6.489 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.206 4.603 5.071 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.202 5.224 7.287 1.00 0.00 C ATOM 0 H LEU C 14 2.903 1.702 7.478 1.00 0.00 H new ATOM 0 HA LEU C 14 0.612 2.988 8.526 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.442 2.135 5.714 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.027 3.117 6.039 1.00 0.00 H new ATOM 0 HG LEU C 14 2.833 3.848 6.996 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.835 5.492 5.123 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.726 3.822 4.515 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.272 4.848 4.565 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.846 6.102 7.328 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.263 5.485 6.799 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.999 4.875 8.300 1.00 0.00 H new ATOM 860 N LEU C 15 0.180 -0.039 7.297 1.00 0.00 N ATOM 861 CA LEU C 15 -0.764 -1.146 7.247 1.00 0.00 C ATOM 862 C LEU C 15 -1.158 -1.574 8.662 1.00 0.00 C ATOM 863 O LEU C 15 -2.322 -1.857 8.940 1.00 0.00 O ATOM 864 CB LEU C 15 -0.133 -2.319 6.493 1.00 0.00 C ATOM 865 CG LEU C 15 0.018 -1.955 5.005 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.883 -3.011 4.310 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.361 -1.888 4.314 1.00 0.00 C ATOM 0 H LEU C 15 1.107 -0.250 6.926 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.665 -0.826 6.724 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.841 -2.557 6.920 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -0.754 -3.209 6.599 1.00 0.00 H new ATOM 0 HG LEU C 15 0.491 -0.976 4.932 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.992 -2.756 3.256 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.866 -3.042 4.779 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.407 -3.988 4.400 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.229 -1.629 3.263 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -1.854 -2.857 4.390 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -1.975 -1.130 4.800 1.00 0.00 H new ATOM 879 N ASP C 16 -0.177 -1.603 9.555 1.00 0.00 N ATOM 880 CA ASP C 16 -0.421 -1.983 10.944 1.00 0.00 C ATOM 881 C ASP C 16 -1.304 -0.950 11.641 1.00 0.00 C ATOM 882 O ASP C 16 -2.060 -1.277 12.558 1.00 0.00 O ATOM 883 CB ASP C 16 0.906 -2.119 11.688 1.00 0.00 C ATOM 884 CG ASP C 16 1.645 -3.366 11.211 1.00 0.00 C ATOM 885 OD1 ASP C 16 1.022 -4.188 10.560 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.823 -3.479 11.503 1.00 0.00 O ATOM 0 H ASP C 16 0.793 -1.369 9.345 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.939 -2.942 10.953 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.520 -1.235 11.518 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.726 -2.181 12.761 1.00 0.00 H new ATOM 891 N ASP C 17 -1.195 0.296 11.200 1.00 0.00 N ATOM 892 CA ASP C 17 -1.969 1.391 11.780 1.00 0.00 C ATOM 893 C ASP C 17 -3.458 1.167 11.548 1.00 0.00 C ATOM 894 O ASP C 17 -4.294 1.898 12.073 1.00 0.00 O ATOM 895 CB ASP C 17 -1.546 2.734 11.179 1.00 0.00 C ATOM 896 CG ASP C 17 -0.154 3.110 11.673 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.303 2.492 12.620 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.436 4.009 11.096 1.00 0.00 O ATOM 0 H ASP C 17 -0.576 0.577 10.439 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.774 1.413 12.852 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.550 2.672 10.091 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.261 3.508 11.457 1.00 0.00 H new ATOM 903 N SER C 18 -3.782 0.163 10.746 1.00 0.00 N ATOM 904 CA SER C 18 -5.174 -0.132 10.433 1.00 0.00 C ATOM 905 C SER C 18 -5.965 -0.367 11.711 1.00 0.00 C ATOM 906 O SER C 18 -7.154 -0.052 11.787 1.00 0.00 O ATOM 907 CB SER C 18 -5.254 -1.377 9.546 1.00 0.00 C ATOM 908 OG SER C 18 -4.602 -1.119 8.310 1.00 0.00 O ATOM 0 H SER C 18 -3.105 -0.458 10.302 1.00 0.00 H new ATOM 0 HA SER C 18 -5.601 0.720 9.904 1.00 0.00 H new ATOM 0 HB2 SER C 18 -4.786 -2.224 10.047 1.00 0.00 H new ATOM 0 HB3 SER C 18 -6.296 -1.646 9.371 1.00 0.00 H new ATOM 0 HG SER C 18 -3.631 -1.145 8.441 1.00 0.00 H new ATOM 914 N SER C 19 -5.300 -0.915 12.712 1.00 0.00 N ATOM 915 CA SER C 19 -5.951 -1.184 13.995 1.00 0.00 C ATOM 916 C SER C 19 -6.023 0.082 14.842 1.00 0.00 C ATOM 917 O SER C 19 -6.701 0.122 15.869 1.00 0.00 O ATOM 918 CB SER C 19 -5.187 -2.262 14.762 1.00 0.00 C ATOM 919 OG SER C 19 -3.918 -1.752 15.152 1.00 0.00 O ATOM 0 H SER C 19 -4.317 -1.183 12.669 1.00 0.00 H new ATOM 0 HA SER C 19 -6.964 -1.532 13.791 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.754 -2.570 15.641 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.060 -3.147 14.139 1.00 0.00 H new ATOM 0 HG SER C 19 -3.357 -1.628 14.358 1.00 0.00 H new ATOM 925 N SER C 20 -5.323 1.110 14.393 1.00 0.00 N ATOM 926 CA SER C 20 -5.304 2.391 15.096 1.00 0.00 C ATOM 927 C SER C 20 -6.564 3.193 14.789 1.00 0.00 C ATOM 928 O SER C 20 -7.164 3.044 13.725 1.00 0.00 O ATOM 929 CB SER C 20 -4.073 3.202 14.697 1.00 0.00 C ATOM 930 OG SER C 20 -4.304 3.809 13.433 1.00 0.00 O ATOM 0 H SER C 20 -4.758 1.087 13.544 1.00 0.00 H new ATOM 0 HA SER C 20 -5.266 2.186 16.166 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.866 3.965 15.448 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.197 2.556 14.649 1.00 0.00 H new ATOM 0 HG SER C 20 -4.670 3.144 12.813 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.429 0.753 -2.066 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.708 1.217 -1.378 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.611 1.577 -0.020 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.625 1.476 0.650 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.761 1.011 -0.039 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.665 0.650 -1.397 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.329 0.367 -3.522 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.834 2.078 0.712 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.086 0.909 0.680 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.546 0.291 -1.930 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.701 1.758 1.700 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.663 1.298 -1.896 1.00 0.00 H new