USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 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 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -157:sc= -0.141 (180deg=-0.563) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -157:sc= -0.112 (180deg=-0.499) USER MOD Set 3.1: A 1 LYS N :NH3+ -159:sc= -0.0962 (180deg=-0.483) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -3.86 F(o=-4.4!,f=-3.9) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0132 (180deg=-0.25) USER MOD Single : A 18 SER OG : rot 109:sc= 0.5 USER MOD Single : A 19 SER OG : rot -23:sc= 0.0974 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN :FLIP amide:sc= -3.64 F(o=-5!,f=-3.6) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -163:sc=-0.00338 (180deg=-0.297) USER MOD Single : B 18 SER OG : rot 111:sc= 0.0248 USER MOD Single : B 19 SER OG : rot -21:sc= 0.0697 USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN :FLIP amide:sc= -4 F(o=-4.6!,f=-4) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ -165:sc= -0.0317 (180deg=-0.29) USER MOD Single : C 18 SER OG : rot 113:sc= 0.638 USER MOD Single : C 19 SER OG : rot -28:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.987 4.790 15.808 1.00 0.00 N ATOM 2 CA LYS A 1 -8.136 5.658 15.565 1.00 0.00 C ATOM 3 C LYS A 1 -7.674 7.000 15.033 1.00 0.00 C ATOM 4 O LYS A 1 -8.447 7.955 14.959 1.00 0.00 O ATOM 5 CB LYS A 1 -8.910 5.868 16.863 1.00 0.00 C ATOM 6 CG LYS A 1 -9.636 4.572 17.233 1.00 0.00 C ATOM 7 CD LYS A 1 -10.259 4.694 18.629 1.00 0.00 C ATOM 8 CE LYS A 1 -11.449 5.659 18.599 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.160 5.607 19.905 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.299 3.798 15.823 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.783 5.183 14.827 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.229 6.158 17.663 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.628 6.680 16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.412 4.359 16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.937 3.736 17.210 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.586 3.714 18.975 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.512 5.050 19.338 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.104 6.674 18.400 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.129 5.390 17.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.968 6.261 19.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.502 4.640 20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.508 5.884 20.667 1.00 0.00 H new ATOM 23 N ASN A 2 -6.405 7.069 14.679 1.00 0.00 N ATOM 24 CA ASN A 2 -5.845 8.313 14.177 1.00 0.00 C ATOM 25 C ASN A 2 -6.455 8.684 12.816 1.00 0.00 C ATOM 26 O ASN A 2 -6.900 7.808 12.077 1.00 0.00 O ATOM 27 CB ASN A 2 -4.323 8.194 14.051 1.00 0.00 C ATOM 28 CG ASN A 2 -3.963 7.100 13.058 1.00 0.00 C ATOM 29 OD1 ASN A 2 -4.913 6.423 12.477 1.00 0.00 O flip ATOM 30 ND2 ASN A 2 -2.783 6.857 12.804 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.748 6.290 14.728 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.086 9.103 14.888 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.902 9.145 13.724 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.886 7.970 15.024 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.043 7.389 13.261 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.546 6.123 12.136 1.00 0.00 H new ATOM 37 N PRO A 3 -6.468 9.956 12.460 1.00 0.00 N ATOM 38 CA PRO A 3 -7.022 10.415 11.142 1.00 0.00 C ATOM 39 C PRO A 3 -6.339 9.720 9.956 1.00 0.00 C ATOM 40 O PRO A 3 -6.884 9.671 8.853 1.00 0.00 O ATOM 41 CB PRO A 3 -6.731 11.928 11.125 1.00 0.00 C ATOM 42 CG PRO A 3 -6.587 12.317 12.560 1.00 0.00 C ATOM 43 CD PRO A 3 -5.983 11.106 13.266 1.00 0.00 C ATOM 0 HA PRO A 3 -8.081 10.179 11.043 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.822 12.148 10.565 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.541 12.479 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.944 13.191 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.553 12.579 12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.894 11.153 13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.315 11.038 14.302 1.00 0.00 H new ATOM 51 N GLU A 4 -5.141 9.196 10.193 1.00 0.00 N ATOM 52 CA GLU A 4 -4.386 8.522 9.141 1.00 0.00 C ATOM 53 C GLU A 4 -5.146 7.300 8.637 1.00 0.00 C ATOM 54 O GLU A 4 -4.840 6.763 7.573 1.00 0.00 O ATOM 55 CB GLU A 4 -3.019 8.091 9.674 1.00 0.00 C ATOM 56 CG GLU A 4 -2.173 9.330 9.968 1.00 0.00 C ATOM 57 CD GLU A 4 -0.840 8.915 10.582 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.040 9.793 10.861 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.638 7.725 10.761 1.00 0.00 O ATOM 0 H GLU A 4 -4.673 9.224 11.099 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.250 9.218 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.141 7.497 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.515 7.458 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.001 9.890 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.707 9.992 10.650 1.00 0.00 H new ATOM 66 N ALA A 5 -6.138 6.870 9.410 1.00 0.00 N ATOM 67 CA ALA A 5 -6.946 5.714 9.042 1.00 0.00 C ATOM 68 C ALA A 5 -7.623 5.946 7.693 1.00 0.00 C ATOM 69 O ALA A 5 -7.934 5.000 6.970 1.00 0.00 O ATOM 70 CB ALA A 5 -8.010 5.451 10.110 1.00 0.00 C ATOM 0 H ALA A 5 -6.401 7.305 10.294 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.290 4.846 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.607 4.585 9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.525 5.257 11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.657 6.323 10.202 1.00 0.00 H new ATOM 76 N GLU A 6 -7.851 7.212 7.362 1.00 0.00 N ATOM 77 CA GLU A 6 -8.495 7.552 6.098 1.00 0.00 C ATOM 78 C GLU A 6 -7.650 7.062 4.924 1.00 0.00 C ATOM 79 O GLU A 6 -8.182 6.596 3.915 1.00 0.00 O ATOM 80 CB GLU A 6 -8.673 9.069 5.998 1.00 0.00 C ATOM 81 CG GLU A 6 -9.721 9.528 7.012 1.00 0.00 C ATOM 82 CD GLU A 6 -9.849 11.047 6.983 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.726 11.561 7.657 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.063 11.675 6.292 1.00 0.00 O ATOM 0 H GLU A 6 -7.603 8.012 7.944 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.470 7.067 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.724 9.570 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.983 9.344 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.684 9.070 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.440 9.198 8.012 1.00 0.00 H new ATOM 91 N GLU A 7 -6.334 7.170 5.059 1.00 0.00 N ATOM 92 CA GLU A 7 -5.432 6.732 4.001 1.00 0.00 C ATOM 93 C GLU A 7 -5.571 5.230 3.775 1.00 0.00 C ATOM 94 O GLU A 7 -5.526 4.756 2.639 1.00 0.00 O ATOM 95 CB GLU A 7 -3.979 7.072 4.362 1.00 0.00 C ATOM 96 CG GLU A 7 -3.044 6.652 3.219 1.00 0.00 C ATOM 97 CD GLU A 7 -3.390 7.432 1.954 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.099 6.940 0.874 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.946 8.511 2.083 1.00 0.00 O ATOM 0 H GLU A 7 -5.871 7.553 5.883 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.699 7.255 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.882 8.142 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.695 6.561 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.007 6.837 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.138 5.582 3.034 1.00 0.00 H new ATOM 106 N ILE A 8 -5.735 4.487 4.862 1.00 0.00 N ATOM 107 CA ILE A 8 -5.875 3.039 4.774 1.00 0.00 C ATOM 108 C ILE A 8 -7.116 2.687 3.958 1.00 0.00 C ATOM 109 O ILE A 8 -7.090 1.777 3.132 1.00 0.00 O ATOM 110 CB ILE A 8 -5.971 2.433 6.189 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.568 2.346 6.812 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.589 1.025 6.129 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.867 3.704 6.722 1.00 0.00 C ATOM 0 H ILE A 8 -5.774 4.860 5.810 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.999 2.623 4.276 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.606 3.074 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.643 2.035 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.978 1.589 6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.650 0.611 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.589 1.085 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.966 0.380 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.874 3.631 7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.776 3.998 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.451 4.451 7.259 1.00 0.00 H new ATOM 125 N THR A 9 -8.202 3.406 4.200 1.00 0.00 N ATOM 126 CA THR A 9 -9.437 3.138 3.481 1.00 0.00 C ATOM 127 C THR A 9 -9.219 3.332 1.986 1.00 0.00 C ATOM 128 O THR A 9 -9.659 2.516 1.174 1.00 0.00 O ATOM 129 CB THR A 9 -10.534 4.088 3.975 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.783 3.846 5.354 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.814 3.859 3.171 1.00 0.00 C ATOM 0 H THR A 9 -8.254 4.167 4.877 1.00 0.00 H new ATOM 0 HA THR A 9 -9.743 2.108 3.663 1.00 0.00 H new ATOM 0 HB THR A 9 -10.208 5.120 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.483 4.454 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.592 4.536 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.620 4.049 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.144 2.828 3.299 1.00 0.00 H new ATOM 139 N ARG A 10 -8.522 4.402 1.628 1.00 0.00 N ATOM 140 CA ARG A 10 -8.228 4.675 0.228 1.00 0.00 C ATOM 141 C ARG A 10 -7.352 3.574 -0.358 1.00 0.00 C ATOM 142 O ARG A 10 -7.564 3.125 -1.486 1.00 0.00 O ATOM 143 CB ARG A 10 -7.533 6.031 0.088 1.00 0.00 C ATOM 144 CG ARG A 10 -7.282 6.326 -1.392 1.00 0.00 C ATOM 145 CD ARG A 10 -6.754 7.754 -1.544 1.00 0.00 C ATOM 146 NE ARG A 10 -5.447 7.893 -0.906 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.870 9.083 -0.790 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.696 9.186 -0.233 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.476 10.151 -1.233 1.00 0.00 N ATOM 0 H ARG A 10 -8.152 5.091 2.283 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.168 4.702 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.151 6.815 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.589 6.026 0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.562 5.615 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.205 6.205 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.677 8.008 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.458 8.457 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.972 7.066 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.221 8.352 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.252 10.100 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.395 10.072 -1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.031 11.064 -1.143 1.00 0.00 H new ATOM 163 N CYS A 11 -6.363 3.146 0.419 1.00 0.00 N ATOM 164 CA CYS A 11 -5.452 2.097 -0.019 1.00 0.00 C ATOM 165 C CYS A 11 -6.219 0.835 -0.395 1.00 0.00 C ATOM 166 O CYS A 11 -5.941 0.207 -1.417 1.00 0.00 O ATOM 167 CB CYS A 11 -4.460 1.771 1.096 1.00 0.00 C ATOM 168 SG CYS A 11 -3.091 0.801 0.412 1.00 0.00 S ATOM 0 H CYS A 11 -6.173 3.509 1.353 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.915 2.457 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.082 2.691 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.957 1.212 1.889 1.00 0.00 H new ATOM 173 N LYS A 12 -7.179 0.468 0.442 1.00 0.00 N ATOM 174 CA LYS A 12 -7.980 -0.723 0.193 1.00 0.00 C ATOM 175 C LYS A 12 -8.740 -0.586 -1.120 1.00 0.00 C ATOM 176 O LYS A 12 -8.822 -1.530 -1.905 1.00 0.00 O ATOM 177 CB LYS A 12 -8.962 -0.943 1.347 1.00 0.00 C ATOM 178 CG LYS A 12 -9.736 -2.244 1.123 1.00 0.00 C ATOM 179 CD LYS A 12 -10.676 -2.490 2.303 1.00 0.00 C ATOM 180 CE LYS A 12 -11.436 -3.798 2.083 1.00 0.00 C ATOM 181 NZ LYS A 12 -12.344 -4.044 3.238 1.00 0.00 N ATOM 0 H LYS A 12 -7.421 0.974 1.294 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.315 -1.584 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.423 -0.988 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.654 -0.103 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.307 -2.185 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.042 -3.078 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.107 -2.539 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.377 -1.661 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.011 -3.746 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.734 -4.625 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.862 -4.934 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.784 -4.111 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.021 -3.259 3.320 1.00 0.00 H new ATOM 195 N LYS A 13 -9.294 0.597 -1.354 1.00 0.00 N ATOM 196 CA LYS A 13 -10.044 0.846 -2.579 1.00 0.00 C ATOM 197 C LYS A 13 -9.146 0.657 -3.796 1.00 0.00 C ATOM 198 O LYS A 13 -9.554 0.068 -4.796 1.00 0.00 O ATOM 199 CB LYS A 13 -10.613 2.268 -2.566 1.00 0.00 C ATOM 200 CG LYS A 13 -11.466 2.490 -3.817 1.00 0.00 C ATOM 201 CD LYS A 13 -12.127 3.868 -3.746 1.00 0.00 C ATOM 202 CE LYS A 13 -13.004 4.083 -4.981 1.00 0.00 C ATOM 203 NZ LYS A 13 -12.143 4.201 -6.191 1.00 0.00 N ATOM 0 H LYS A 13 -9.239 1.393 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.867 0.134 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.215 2.421 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.802 2.995 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.846 2.418 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.227 1.713 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.730 3.947 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.365 4.645 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.698 3.250 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.605 4.984 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.695 4.610 -6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.332 4.817 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.800 3.259 -6.466 1.00 0.00 H new ATOM 217 N LEU A 14 -7.919 1.152 -3.703 1.00 0.00 N ATOM 218 CA LEU A 14 -6.975 1.024 -4.807 1.00 0.00 C ATOM 219 C LEU A 14 -6.666 -0.445 -5.088 1.00 0.00 C ATOM 220 O LEU A 14 -6.603 -0.864 -6.242 1.00 0.00 O ATOM 221 CB LEU A 14 -5.680 1.764 -4.458 1.00 0.00 C ATOM 222 CG LEU A 14 -5.929 3.282 -4.471 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.725 4.002 -3.851 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.144 3.787 -5.917 1.00 0.00 C ATOM 0 H LEU A 14 -7.556 1.641 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.422 1.460 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.326 1.453 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.899 1.508 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.827 3.494 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.900 5.078 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.589 3.665 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.829 3.776 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.319 4.863 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.258 3.570 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.007 3.284 -6.353 1.00 0.00 H new ATOM 236 N LEU A 15 -6.484 -1.219 -4.029 1.00 0.00 N ATOM 237 CA LEU A 15 -6.193 -2.639 -4.178 1.00 0.00 C ATOM 238 C LEU A 15 -7.379 -3.363 -4.809 1.00 0.00 C ATOM 239 O LEU A 15 -7.213 -4.239 -5.658 1.00 0.00 O ATOM 240 CB LEU A 15 -5.875 -3.241 -2.809 1.00 0.00 C ATOM 241 CG LEU A 15 -4.536 -2.679 -2.296 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.354 -3.080 -0.828 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.352 -3.216 -3.132 1.00 0.00 C ATOM 0 H LEU A 15 -6.532 -0.893 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.330 -2.758 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.673 -3.008 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.821 -4.327 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.553 -1.593 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.408 -2.686 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.173 -2.673 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.351 -4.167 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.419 -2.803 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.323 -4.304 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.478 -2.920 -4.174 1.00 0.00 H new ATOM 255 N ASP A 16 -8.577 -2.982 -4.389 1.00 0.00 N ATOM 256 CA ASP A 16 -9.797 -3.587 -4.912 1.00 0.00 C ATOM 257 C ASP A 16 -9.928 -3.322 -6.408 1.00 0.00 C ATOM 258 O ASP A 16 -10.429 -4.158 -7.160 1.00 0.00 O ATOM 259 CB ASP A 16 -11.017 -3.033 -4.174 1.00 0.00 C ATOM 260 CG ASP A 16 -11.066 -3.592 -2.754 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.359 -4.549 -2.488 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.810 -3.052 -1.951 1.00 0.00 O ATOM 0 H ASP A 16 -8.732 -2.257 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.744 -4.664 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.971 -1.944 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.928 -3.299 -4.710 1.00 0.00 H new ATOM 267 N ASP A 17 -9.476 -2.148 -6.828 1.00 0.00 N ATOM 268 CA ASP A 17 -9.543 -1.759 -8.233 1.00 0.00 C ATOM 269 C ASP A 17 -8.689 -2.693 -9.085 1.00 0.00 C ATOM 270 O ASP A 17 -8.728 -2.639 -10.313 1.00 0.00 O ATOM 271 CB ASP A 17 -9.059 -0.318 -8.411 1.00 0.00 C ATOM 272 CG ASP A 17 -10.076 0.649 -7.819 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.189 0.222 -7.561 1.00 0.00 O ATOM 274 OD2 ASP A 17 -9.728 1.804 -7.631 1.00 0.00 O ATOM 0 H ASP A 17 -9.058 -1.447 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.581 -1.830 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.093 -0.187 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.913 -0.103 -9.469 1.00 0.00 H new ATOM 279 N SER A 18 -7.905 -3.539 -8.423 1.00 0.00 N ATOM 280 CA SER A 18 -7.029 -4.466 -9.128 1.00 0.00 C ATOM 281 C SER A 18 -7.832 -5.355 -10.065 1.00 0.00 C ATOM 282 O SER A 18 -7.362 -5.735 -11.137 1.00 0.00 O ATOM 283 CB SER A 18 -6.278 -5.340 -8.117 1.00 0.00 C ATOM 284 OG SER A 18 -5.449 -4.517 -7.308 1.00 0.00 O ATOM 0 H SER A 18 -7.859 -3.601 -7.406 1.00 0.00 H new ATOM 0 HA SER A 18 -6.316 -3.888 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.987 -5.886 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.674 -6.083 -8.639 1.00 0.00 H new ATOM 0 HG SER A 18 -5.818 -4.472 -6.401 1.00 0.00 H new ATOM 290 N SER A 19 -9.043 -5.676 -9.655 1.00 0.00 N ATOM 291 CA SER A 19 -9.920 -6.522 -10.467 1.00 0.00 C ATOM 292 C SER A 19 -10.568 -5.712 -11.579 1.00 0.00 C ATOM 293 O SER A 19 -11.098 -6.265 -12.544 1.00 0.00 O ATOM 294 CB SER A 19 -11.003 -7.161 -9.599 1.00 0.00 C ATOM 295 OG SER A 19 -11.742 -8.091 -10.383 1.00 0.00 O ATOM 0 H SER A 19 -9.448 -5.370 -8.770 1.00 0.00 H new ATOM 0 HA SER A 19 -9.311 -7.309 -10.912 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.551 -7.665 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.667 -6.394 -9.201 1.00 0.00 H new ATOM 0 HG SER A 19 -11.656 -7.860 -11.332 1.00 0.00 H new ATOM 301 N SER A 20 -10.516 -4.400 -11.434 1.00 0.00 N ATOM 302 CA SER A 20 -11.094 -3.502 -12.430 1.00 0.00 C ATOM 303 C SER A 20 -10.174 -3.386 -13.642 1.00 0.00 C ATOM 304 O SER A 20 -8.951 -3.406 -13.511 1.00 0.00 O ATOM 305 CB SER A 20 -11.327 -2.114 -11.824 1.00 0.00 C ATOM 306 OG SER A 20 -12.287 -1.415 -12.609 1.00 0.00 O ATOM 0 H SER A 20 -10.082 -3.929 -10.640 1.00 0.00 H new ATOM 0 HA SER A 20 -12.050 -3.916 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.678 -2.207 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.391 -1.557 -11.792 1.00 0.00 H new ATOM 0 HG SER A 20 -12.440 -0.527 -12.224 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.774 -3.267 -14.822 1.00 0.00 N ATOM 314 CA LYS B 1 -10.006 -3.151 -16.058 1.00 0.00 C ATOM 315 C LYS B 1 -9.629 -1.703 -16.306 1.00 0.00 C ATOM 316 O LYS B 1 -9.165 -1.343 -17.387 1.00 0.00 O ATOM 317 CB LYS B 1 -10.831 -3.666 -17.234 1.00 0.00 C ATOM 318 CG LYS B 1 -10.952 -5.189 -17.136 1.00 0.00 C ATOM 319 CD LYS B 1 -11.943 -5.712 -18.183 1.00 0.00 C ATOM 320 CE LYS B 1 -11.346 -5.593 -19.590 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.235 -6.286 -20.562 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.696 -4.237 -14.455 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.099 -3.747 -15.961 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.821 -3.209 -17.227 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.358 -3.387 -18.175 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.975 -5.649 -17.288 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.285 -5.471 -16.137 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.189 -6.753 -17.972 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -12.873 -5.147 -18.127 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.237 -4.544 -19.864 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -10.349 -6.034 -19.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -11.833 -6.207 -21.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -12.317 -7.290 -20.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.177 -5.846 -20.546 1.00 0.00 H new ATOM 335 N ASN B 2 -9.849 -0.875 -15.304 1.00 0.00 N ATOM 336 CA ASN B 2 -9.548 0.540 -15.434 1.00 0.00 C ATOM 337 C ASN B 2 -8.035 0.777 -15.562 1.00 0.00 C ATOM 338 O ASN B 2 -7.239 -0.033 -15.087 1.00 0.00 O ATOM 339 CB ASN B 2 -10.093 1.310 -14.228 1.00 0.00 C ATOM 340 CG ASN B 2 -9.428 0.823 -12.950 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.543 -0.130 -13.012 1.00 0.00 O flip ATOM 342 ND2 ASN B 2 -9.723 1.327 -11.866 1.00 0.00 N flip ATOM 0 H ASN B 2 -10.231 -1.152 -14.400 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.030 0.903 -16.342 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.912 2.377 -14.357 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.172 1.176 -14.159 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -10.417 2.073 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.273 0.998 -11.011 1.00 0.00 H new ATOM 349 N PRO B 3 -7.619 1.871 -16.174 1.00 0.00 N ATOM 350 CA PRO B 3 -6.162 2.200 -16.331 1.00 0.00 C ATOM 351 C PRO B 3 -5.435 2.249 -14.980 1.00 0.00 C ATOM 352 O PRO B 3 -4.211 2.125 -14.917 1.00 0.00 O ATOM 353 CB PRO B 3 -6.168 3.590 -16.997 1.00 0.00 C ATOM 354 CG PRO B 3 -7.494 3.695 -17.674 1.00 0.00 C ATOM 355 CD PRO B 3 -8.471 2.911 -16.804 1.00 0.00 C ATOM 0 HA PRO B 3 -5.634 1.446 -16.914 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.040 4.381 -16.258 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.352 3.687 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.803 4.736 -17.768 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.451 3.283 -18.682 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.944 3.549 -16.057 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.271 2.469 -17.398 1.00 0.00 H new ATOM 363 N GLU B 4 -6.196 2.441 -13.910 1.00 0.00 N ATOM 364 CA GLU B 4 -5.619 2.520 -12.571 1.00 0.00 C ATOM 365 C GLU B 4 -4.926 1.210 -12.210 1.00 0.00 C ATOM 366 O GLU B 4 -4.134 1.155 -11.269 1.00 0.00 O ATOM 367 CB GLU B 4 -6.711 2.819 -11.544 1.00 0.00 C ATOM 368 CG GLU B 4 -7.247 4.235 -11.765 1.00 0.00 C ATOM 369 CD GLU B 4 -8.393 4.513 -10.798 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.926 5.609 -10.844 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.718 3.628 -10.024 1.00 0.00 O ATOM 0 H GLU B 4 -7.210 2.545 -13.941 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.884 3.325 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.520 2.094 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -6.311 2.724 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.449 4.963 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.592 4.346 -12.793 1.00 0.00 H new ATOM 378 N ALA B 5 -5.229 0.162 -12.967 1.00 0.00 N ATOM 379 CA ALA B 5 -4.632 -1.150 -12.729 1.00 0.00 C ATOM 380 C ALA B 5 -3.111 -1.067 -12.832 1.00 0.00 C ATOM 381 O ALA B 5 -2.394 -1.862 -12.225 1.00 0.00 O ATOM 382 CB ALA B 5 -5.160 -2.162 -13.748 1.00 0.00 C ATOM 0 H ALA B 5 -5.883 0.193 -13.749 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.904 -1.476 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.708 -3.136 -13.561 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.243 -2.240 -13.655 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.905 -1.831 -14.755 1.00 0.00 H new ATOM 388 N GLU B 6 -2.625 -0.105 -13.608 1.00 0.00 N ATOM 389 CA GLU B 6 -1.187 0.064 -13.781 1.00 0.00 C ATOM 390 C GLU B 6 -0.522 0.366 -12.441 1.00 0.00 C ATOM 391 O GLU B 6 0.582 -0.105 -12.164 1.00 0.00 O ATOM 392 CB GLU B 6 -0.912 1.215 -14.753 1.00 0.00 C ATOM 393 CG GLU B 6 -1.342 0.807 -16.163 1.00 0.00 C ATOM 394 CD GLU B 6 -1.154 1.976 -17.125 1.00 0.00 C ATOM 395 OE1 GLU B 6 -1.350 1.777 -18.313 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.824 3.055 -16.660 1.00 0.00 O ATOM 0 H GLU B 6 -3.198 0.563 -14.123 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.775 -0.862 -14.183 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.455 2.107 -14.440 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.148 1.467 -14.744 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.755 -0.048 -16.498 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.386 0.494 -16.157 1.00 0.00 H new ATOM 403 N GLU B 7 -1.196 1.153 -11.613 1.00 0.00 N ATOM 404 CA GLU B 7 -0.656 1.505 -10.306 1.00 0.00 C ATOM 405 C GLU B 7 -0.496 0.257 -9.444 1.00 0.00 C ATOM 406 O GLU B 7 0.475 0.123 -8.700 1.00 0.00 O ATOM 407 CB GLU B 7 -1.574 2.514 -9.603 1.00 0.00 C ATOM 408 CG GLU B 7 -0.969 2.916 -8.250 1.00 0.00 C ATOM 409 CD GLU B 7 0.380 3.596 -8.468 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.194 3.569 -7.558 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.580 4.132 -9.546 1.00 0.00 O ATOM 0 H GLU B 7 -2.109 1.557 -11.820 1.00 0.00 H new ATOM 0 HA GLU B 7 0.324 1.961 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.706 3.397 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.562 2.078 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.646 3.590 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.845 2.035 -7.621 1.00 0.00 H new ATOM 418 N ILE B 8 -1.459 -0.651 -9.545 1.00 0.00 N ATOM 419 CA ILE B 8 -1.420 -1.883 -8.765 1.00 0.00 C ATOM 420 C ILE B 8 -0.181 -2.693 -9.139 1.00 0.00 C ATOM 421 O ILE B 8 0.490 -3.253 -8.273 1.00 0.00 O ATOM 422 CB ILE B 8 -2.697 -2.706 -9.022 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.863 -2.124 -8.205 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.479 -4.176 -8.618 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.988 -0.620 -8.463 1.00 0.00 C ATOM 0 H ILE B 8 -2.272 -0.559 -10.155 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.371 -1.636 -7.704 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.932 -2.659 -10.085 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.792 -2.626 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.699 -2.306 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.390 -4.744 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.662 -4.597 -9.204 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.230 -4.229 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.817 -0.218 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.063 -0.123 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.173 -0.447 -9.523 1.00 0.00 H new ATOM 437 N THR B 9 0.110 -2.760 -10.428 1.00 0.00 N ATOM 438 CA THR B 9 1.262 -3.520 -10.884 1.00 0.00 C ATOM 439 C THR B 9 2.533 -2.948 -10.270 1.00 0.00 C ATOM 440 O THR B 9 3.396 -3.691 -9.797 1.00 0.00 O ATOM 441 CB THR B 9 1.348 -3.455 -12.413 1.00 0.00 C ATOM 442 OG1 THR B 9 0.187 -4.051 -12.978 1.00 0.00 O ATOM 443 CG2 THR B 9 2.594 -4.199 -12.893 1.00 0.00 C ATOM 0 H THR B 9 -0.426 -2.305 -11.167 1.00 0.00 H new ATOM 0 HA THR B 9 1.154 -4.559 -10.574 1.00 0.00 H new ATOM 0 HB THR B 9 1.411 -2.413 -12.727 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.240 -4.008 -13.956 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.651 -4.150 -13.980 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.482 -3.737 -12.462 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.539 -5.241 -12.579 1.00 0.00 H new ATOM 451 N ARG B 10 2.634 -1.625 -10.259 1.00 0.00 N ATOM 452 CA ARG B 10 3.793 -0.965 -9.672 1.00 0.00 C ATOM 453 C ARG B 10 3.868 -1.250 -8.177 1.00 0.00 C ATOM 454 O ARG B 10 4.943 -1.507 -7.632 1.00 0.00 O ATOM 455 CB ARG B 10 3.721 0.543 -9.915 1.00 0.00 C ATOM 456 CG ARG B 10 4.973 1.212 -9.347 1.00 0.00 C ATOM 457 CD ARG B 10 4.984 2.691 -9.739 1.00 0.00 C ATOM 458 NE ARG B 10 3.867 3.399 -9.118 1.00 0.00 N ATOM 459 CZ ARG B 10 3.605 4.663 -9.427 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.612 5.281 -8.854 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.343 5.289 -10.304 1.00 0.00 N ATOM 0 H ARG B 10 1.934 -0.992 -10.646 1.00 0.00 H new ATOM 0 HA ARG B 10 4.692 -1.357 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.640 0.746 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.829 0.956 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG B 10 4.991 1.112 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.867 0.717 -9.727 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.925 3.147 -9.432 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.923 2.785 -10.823 1.00 0.00 H new ATOM 0 HE ARG B 10 3.281 2.915 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.036 4.794 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG B 10 2.411 6.252 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.122 4.807 -10.752 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.141 6.260 -10.541 1.00 0.00 H new ATOM 475 N CYS B 11 2.714 -1.201 -7.519 1.00 0.00 N ATOM 476 CA CYS B 11 2.646 -1.454 -6.086 1.00 0.00 C ATOM 477 C CYS B 11 3.222 -2.825 -5.750 1.00 0.00 C ATOM 478 O CYS B 11 3.981 -2.975 -4.793 1.00 0.00 O ATOM 479 CB CYS B 11 1.196 -1.384 -5.615 1.00 0.00 C ATOM 480 SG CYS B 11 1.162 -1.319 -3.803 1.00 0.00 S ATOM 0 H CYS B 11 1.816 -0.989 -7.955 1.00 0.00 H new ATOM 0 HA CYS B 11 3.235 -0.692 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.708 -0.503 -6.032 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.643 -2.253 -5.970 1.00 0.00 H new ATOM 485 N LYS B 12 2.852 -3.823 -6.541 1.00 0.00 N ATOM 486 CA LYS B 12 3.333 -5.180 -6.320 1.00 0.00 C ATOM 487 C LYS B 12 4.853 -5.229 -6.444 1.00 0.00 C ATOM 488 O LYS B 12 5.529 -5.880 -5.647 1.00 0.00 O ATOM 489 CB LYS B 12 2.697 -6.132 -7.336 1.00 0.00 C ATOM 490 CG LYS B 12 3.142 -7.567 -7.042 1.00 0.00 C ATOM 491 CD LYS B 12 2.460 -8.523 -8.021 1.00 0.00 C ATOM 492 CE LYS B 12 2.899 -9.956 -7.721 1.00 0.00 C ATOM 493 NZ LYS B 12 2.219 -10.891 -8.661 1.00 0.00 N ATOM 0 H LYS B 12 2.223 -3.720 -7.338 1.00 0.00 H new ATOM 0 HA LYS B 12 3.052 -5.491 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.611 -6.060 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.990 -5.850 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.225 -7.649 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.886 -7.836 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.377 -8.437 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.720 -8.258 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.981 -10.045 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.652 -10.215 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.517 -11.866 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.189 -10.813 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.476 -10.648 -9.639 1.00 0.00 H new ATOM 507 N LYS B 13 5.382 -4.537 -7.445 1.00 0.00 N ATOM 508 CA LYS B 13 6.824 -4.509 -7.660 1.00 0.00 C ATOM 509 C LYS B 13 7.525 -3.921 -6.441 1.00 0.00 C ATOM 510 O LYS B 13 8.560 -4.423 -6.006 1.00 0.00 O ATOM 511 CB LYS B 13 7.153 -3.681 -8.905 1.00 0.00 C ATOM 512 CG LYS B 13 8.660 -3.724 -9.167 1.00 0.00 C ATOM 513 CD LYS B 13 8.971 -2.994 -10.475 1.00 0.00 C ATOM 514 CE LYS B 13 10.475 -3.060 -10.753 1.00 0.00 C ATOM 515 NZ LYS B 13 11.205 -2.247 -9.742 1.00 0.00 N ATOM 0 H LYS B 13 4.840 -3.992 -8.116 1.00 0.00 H new ATOM 0 HA LYS B 13 7.177 -5.529 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.613 -4.072 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.827 -2.650 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.197 -3.257 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.001 -4.758 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.418 -3.448 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.648 -1.955 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.817 -4.095 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.687 -2.688 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.168 -2.052 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.703 -1.349 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.255 -2.771 -8.845 1.00 0.00 H new ATOM 529 N LEU B 14 6.951 -2.861 -5.887 1.00 0.00 N ATOM 530 CA LEU B 14 7.534 -2.225 -4.712 1.00 0.00 C ATOM 531 C LEU B 14 7.553 -3.187 -3.527 1.00 0.00 C ATOM 532 O LEU B 14 8.539 -3.263 -2.794 1.00 0.00 O ATOM 533 CB LEU B 14 6.719 -0.979 -4.350 1.00 0.00 C ATOM 534 CG LEU B 14 6.950 0.119 -5.404 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.927 1.242 -5.201 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.378 0.695 -5.282 1.00 0.00 C ATOM 0 H LEU B 14 6.093 -2.427 -6.227 1.00 0.00 H new ATOM 0 HA LEU B 14 8.561 -1.942 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.659 -1.229 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.010 -0.617 -3.364 1.00 0.00 H new ATOM 0 HG LEU B 14 6.832 -0.316 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.089 2.021 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.919 0.840 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.044 1.665 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.523 1.470 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.514 1.124 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.106 -0.102 -5.436 1.00 0.00 H new ATOM 548 N LEU B 15 6.468 -3.924 -3.353 1.00 0.00 N ATOM 549 CA LEU B 15 6.380 -4.885 -2.260 1.00 0.00 C ATOM 550 C LEU B 15 7.405 -6.002 -2.443 1.00 0.00 C ATOM 551 O LEU B 15 8.035 -6.451 -1.487 1.00 0.00 O ATOM 552 CB LEU B 15 4.968 -5.468 -2.205 1.00 0.00 C ATOM 553 CG LEU B 15 3.977 -4.379 -1.756 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.546 -4.886 -1.959 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.196 -4.012 -0.268 1.00 0.00 C ATOM 0 H LEU B 15 5.641 -3.878 -3.948 1.00 0.00 H new ATOM 0 HA LEU B 15 6.596 -4.374 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.683 -5.851 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.938 -6.309 -1.513 1.00 0.00 H new ATOM 0 HG LEU B 15 4.143 -3.484 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.840 -4.118 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.387 -5.113 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.392 -5.788 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.484 -3.241 0.025 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.048 -4.897 0.351 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.211 -3.640 -0.131 1.00 0.00 H new ATOM 567 N ASP B 16 7.567 -6.437 -3.685 1.00 0.00 N ATOM 568 CA ASP B 16 8.514 -7.500 -4.001 1.00 0.00 C ATOM 569 C ASP B 16 9.937 -7.062 -3.671 1.00 0.00 C ATOM 570 O ASP B 16 10.770 -7.867 -3.256 1.00 0.00 O ATOM 571 CB ASP B 16 8.413 -7.871 -5.482 1.00 0.00 C ATOM 572 CG ASP B 16 7.109 -8.618 -5.742 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.490 -9.049 -4.784 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.744 -8.746 -6.901 1.00 0.00 O ATOM 0 H ASP B 16 7.057 -6.072 -4.489 1.00 0.00 H new ATOM 0 HA ASP B 16 8.268 -8.374 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.455 -6.971 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.262 -8.492 -5.769 1.00 0.00 H new ATOM 579 N ASP B 17 10.204 -5.778 -3.868 1.00 0.00 N ATOM 580 CA ASP B 17 11.525 -5.218 -3.602 1.00 0.00 C ATOM 581 C ASP B 17 11.864 -5.337 -2.119 1.00 0.00 C ATOM 582 O ASP B 17 12.992 -5.071 -1.708 1.00 0.00 O ATOM 583 CB ASP B 17 11.578 -3.749 -4.028 1.00 0.00 C ATOM 584 CG ASP B 17 11.551 -3.648 -5.548 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.759 -4.662 -6.193 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.319 -2.557 -6.047 1.00 0.00 O ATOM 0 H ASP B 17 9.522 -5.102 -4.212 1.00 0.00 H new ATOM 0 HA ASP B 17 12.258 -5.781 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.732 -3.208 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.483 -3.281 -3.640 1.00 0.00 H new ATOM 591 N SER B 18 10.874 -5.721 -1.319 1.00 0.00 N ATOM 592 CA SER B 18 11.069 -5.851 0.120 1.00 0.00 C ATOM 593 C SER B 18 12.197 -6.826 0.419 1.00 0.00 C ATOM 594 O SER B 18 12.935 -6.666 1.390 1.00 0.00 O ATOM 595 CB SER B 18 9.778 -6.355 0.776 1.00 0.00 C ATOM 596 OG SER B 18 8.733 -5.418 0.556 1.00 0.00 O ATOM 0 H SER B 18 9.933 -5.947 -1.641 1.00 0.00 H new ATOM 0 HA SER B 18 11.329 -4.872 0.523 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.503 -7.325 0.362 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.933 -6.497 1.845 1.00 0.00 H new ATOM 0 HG SER B 18 8.072 -5.803 -0.056 1.00 0.00 H new ATOM 602 N SER B 19 12.323 -7.831 -0.424 1.00 0.00 N ATOM 603 CA SER B 19 13.369 -8.840 -0.252 1.00 0.00 C ATOM 604 C SER B 19 14.709 -8.322 -0.757 1.00 0.00 C ATOM 605 O SER B 19 15.765 -8.875 -0.445 1.00 0.00 O ATOM 606 CB SER B 19 13.004 -10.125 -0.995 1.00 0.00 C ATOM 607 OG SER B 19 13.951 -11.137 -0.673 1.00 0.00 O ATOM 0 H SER B 19 11.721 -7.978 -1.234 1.00 0.00 H new ATOM 0 HA SER B 19 13.453 -9.055 0.813 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.001 -10.447 -0.717 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.995 -9.947 -2.070 1.00 0.00 H new ATOM 0 HG SER B 19 14.777 -10.721 -0.348 1.00 0.00 H new ATOM 613 N SER B 20 14.650 -7.256 -1.533 1.00 0.00 N ATOM 614 CA SER B 20 15.860 -6.647 -2.085 1.00 0.00 C ATOM 615 C SER B 20 16.556 -5.791 -1.030 1.00 0.00 C ATOM 616 O SER B 20 15.907 -5.194 -0.171 1.00 0.00 O ATOM 617 CB SER B 20 15.514 -5.786 -3.303 1.00 0.00 C ATOM 618 OG SER B 20 16.682 -5.613 -4.100 1.00 0.00 O ATOM 0 H SER B 20 13.782 -6.790 -1.799 1.00 0.00 H new ATOM 0 HA SER B 20 16.535 -7.446 -2.393 1.00 0.00 H new ATOM 0 HB2 SER B 20 14.727 -6.262 -3.888 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.131 -4.817 -2.982 1.00 0.00 H new ATOM 0 HG SER B 20 16.466 -5.064 -4.882 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 17.881 -5.735 -1.102 1.00 0.00 N ATOM 626 CA LYS C 1 18.663 -4.948 -0.152 1.00 0.00 C ATOM 627 C LYS C 1 18.786 -3.516 -0.633 1.00 0.00 C ATOM 628 O LYS C 1 19.574 -2.733 -0.103 1.00 0.00 O ATOM 629 CB LYS C 1 20.056 -5.551 -0.002 1.00 0.00 C ATOM 630 CG LYS C 1 19.953 -6.879 0.753 1.00 0.00 C ATOM 631 CD LYS C 1 21.306 -7.601 0.743 1.00 0.00 C ATOM 632 CE LYS C 1 22.309 -6.864 1.638 1.00 0.00 C ATOM 633 NZ LYS C 1 23.545 -7.678 1.769 1.00 0.00 N ATOM 0 H3 LYS C 1 17.475 -6.561 -0.617 1.00 0.00 H new ATOM 0 HA LYS C 1 18.154 -4.960 0.812 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.503 -5.711 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.707 -4.862 0.537 1.00 0.00 H new ATOM 0 HG2 LYS C 1 19.637 -6.698 1.780 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.193 -7.510 0.292 1.00 0.00 H new ATOM 0 HD2 LYS C 1 21.181 -8.626 1.092 1.00 0.00 H new ATOM 0 HD3 LYS C 1 21.689 -7.656 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.546 -5.889 1.211 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.873 -6.684 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 24.226 -7.179 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.311 -8.598 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 23.964 -7.827 0.829 1.00 0.00 H new ATOM 647 N ASN C 2 18.017 -3.185 -1.651 1.00 0.00 N ATOM 648 CA ASN C 2 18.067 -1.845 -2.211 1.00 0.00 C ATOM 649 C ASN C 2 17.534 -0.807 -1.211 1.00 0.00 C ATOM 650 O ASN C 2 16.726 -1.139 -0.344 1.00 0.00 O ATOM 651 CB ASN C 2 17.254 -1.783 -3.507 1.00 0.00 C ATOM 652 CG ASN C 2 15.792 -2.094 -3.228 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.419 -2.378 -2.011 1.00 0.00 O flip ATOM 654 ND2 ASN C 2 14.967 -2.077 -4.140 1.00 0.00 N flip ATOM 0 H ASN C 2 17.356 -3.816 -2.105 1.00 0.00 H new ATOM 0 HA ASN C 2 19.109 -1.610 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.343 -0.793 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.653 -2.495 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN C 2 15.262 -1.854 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN C 2 13.988 -2.285 -3.946 1.00 0.00 H new ATOM 661 N PRO C 3 17.953 0.442 -1.317 1.00 0.00 N ATOM 662 CA PRO C 3 17.476 1.531 -0.400 1.00 0.00 C ATOM 663 C PRO C 3 15.947 1.669 -0.412 1.00 0.00 C ATOM 664 O PRO C 3 15.355 2.215 0.518 1.00 0.00 O ATOM 665 CB PRO C 3 18.140 2.804 -0.961 1.00 0.00 C ATOM 666 CG PRO C 3 19.329 2.321 -1.724 1.00 0.00 C ATOM 667 CD PRO C 3 18.936 0.965 -2.300 1.00 0.00 C ATOM 0 HA PRO C 3 17.738 1.330 0.639 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.455 3.354 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.435 3.481 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO C 3 19.594 3.020 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO C 3 20.200 2.231 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.497 1.063 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.798 0.305 -2.396 1.00 0.00 H new ATOM 675 N GLU C 4 15.322 1.178 -1.477 1.00 0.00 N ATOM 676 CA GLU C 4 13.871 1.261 -1.608 1.00 0.00 C ATOM 677 C GLU C 4 13.188 0.495 -0.482 1.00 0.00 C ATOM 678 O GLU C 4 11.997 0.675 -0.231 1.00 0.00 O ATOM 679 CB GLU C 4 13.433 0.685 -2.955 1.00 0.00 C ATOM 680 CG GLU C 4 13.924 1.592 -4.085 1.00 0.00 C ATOM 681 CD GLU C 4 13.562 0.984 -5.434 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.876 1.596 -6.442 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.972 -0.084 -5.442 1.00 0.00 O ATOM 0 H GLU C 4 15.793 0.721 -2.258 1.00 0.00 H new ATOM 0 HA GLU C 4 13.580 2.310 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.836 -0.320 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.347 0.600 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.475 2.581 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU C 4 15.004 1.724 -4.014 1.00 0.00 H new ATOM 690 N ALA C 5 13.953 -0.353 0.196 1.00 0.00 N ATOM 691 CA ALA C 5 13.423 -1.145 1.302 1.00 0.00 C ATOM 692 C ALA C 5 12.861 -0.229 2.387 1.00 0.00 C ATOM 693 O ALA C 5 11.968 -0.617 3.140 1.00 0.00 O ATOM 694 CB ALA C 5 14.525 -2.028 1.894 1.00 0.00 C ATOM 0 H ALA C 5 14.942 -0.510 0.000 1.00 0.00 H new ATOM 0 HA ALA C 5 12.622 -1.779 0.921 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.118 -2.614 2.718 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.906 -2.699 1.124 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.336 -1.400 2.261 1.00 0.00 H new ATOM 700 N GLU C 6 13.390 0.986 2.464 1.00 0.00 N ATOM 701 CA GLU C 6 12.932 1.944 3.463 1.00 0.00 C ATOM 702 C GLU C 6 11.452 2.256 3.263 1.00 0.00 C ATOM 703 O GLU C 6 10.702 2.410 4.230 1.00 0.00 O ATOM 704 CB GLU C 6 13.740 3.240 3.353 1.00 0.00 C ATOM 705 CG GLU C 6 15.177 2.988 3.812 1.00 0.00 C ATOM 706 CD GLU C 6 16.013 4.249 3.627 1.00 0.00 C ATOM 707 OE1 GLU C 6 17.150 4.253 4.073 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.509 5.190 3.036 1.00 0.00 O ATOM 0 H GLU C 6 14.130 1.330 1.852 1.00 0.00 H new ATOM 0 HA GLU C 6 13.075 1.506 4.451 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.734 3.598 2.324 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.283 4.018 3.964 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.185 2.687 4.860 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.611 2.167 3.241 1.00 0.00 H new ATOM 715 N GLU C 7 11.033 2.347 2.009 1.00 0.00 N ATOM 716 CA GLU C 7 9.638 2.641 1.699 1.00 0.00 C ATOM 717 C GLU C 7 8.735 1.526 2.217 1.00 0.00 C ATOM 718 O GLU C 7 7.636 1.781 2.710 1.00 0.00 O ATOM 719 CB GLU C 7 9.450 2.806 0.185 1.00 0.00 C ATOM 720 CG GLU C 7 7.988 3.164 -0.124 1.00 0.00 C ATOM 721 CD GLU C 7 7.633 4.498 0.528 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.461 4.721 0.782 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.544 5.274 0.767 1.00 0.00 O ATOM 0 H GLU C 7 11.633 2.223 1.194 1.00 0.00 H new ATOM 0 HA GLU C 7 9.364 3.575 2.191 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.112 3.587 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.724 1.884 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.839 3.225 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.326 2.381 0.246 1.00 0.00 H new ATOM 730 N ILE C 8 9.200 0.291 2.094 1.00 0.00 N ATOM 731 CA ILE C 8 8.424 -0.857 2.544 1.00 0.00 C ATOM 732 C ILE C 8 8.182 -0.762 4.046 1.00 0.00 C ATOM 733 O ILE C 8 7.084 -1.042 4.526 1.00 0.00 O ATOM 734 CB ILE C 8 9.173 -2.159 2.203 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.983 -2.493 0.714 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.638 -3.324 3.056 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.333 -1.281 -0.151 1.00 0.00 C ATOM 0 H ILE C 8 10.106 0.058 1.688 1.00 0.00 H new ATOM 0 HA ILE C 8 7.461 -0.863 2.034 1.00 0.00 H new ATOM 0 HB ILE C 8 10.232 -2.017 2.417 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.615 -3.338 0.440 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.951 -2.794 0.530 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.177 -4.237 2.804 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.782 -3.098 4.112 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.575 -3.463 2.857 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.194 -1.532 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.683 -0.446 0.112 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.372 -1.000 0.020 1.00 0.00 H new ATOM 749 N THR C 9 9.212 -0.377 4.784 1.00 0.00 N ATOM 750 CA THR C 9 9.083 -0.268 6.228 1.00 0.00 C ATOM 751 C THR C 9 8.004 0.751 6.576 1.00 0.00 C ATOM 752 O THR C 9 7.168 0.509 7.450 1.00 0.00 O ATOM 753 CB THR C 9 10.423 0.165 6.831 1.00 0.00 C ATOM 754 OG1 THR C 9 11.408 -0.822 6.556 1.00 0.00 O ATOM 755 CG2 THR C 9 10.277 0.337 8.343 1.00 0.00 C ATOM 0 H THR C 9 10.132 -0.138 4.414 1.00 0.00 H new ATOM 0 HA THR C 9 8.800 -1.237 6.639 1.00 0.00 H new ATOM 0 HB THR C 9 10.727 1.114 6.390 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.266 -0.544 6.940 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.232 0.645 8.768 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.525 1.098 8.552 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.970 -0.609 8.789 1.00 0.00 H new ATOM 763 N ARG C 10 8.012 1.876 5.876 1.00 0.00 N ATOM 764 CA ARG C 10 7.011 2.910 6.104 1.00 0.00 C ATOM 765 C ARG C 10 5.621 2.386 5.761 1.00 0.00 C ATOM 766 O ARG C 10 4.653 2.638 6.478 1.00 0.00 O ATOM 767 CB ARG C 10 7.328 4.149 5.263 1.00 0.00 C ATOM 768 CG ARG C 10 6.301 5.242 5.558 1.00 0.00 C ATOM 769 CD ARG C 10 6.718 6.535 4.854 1.00 0.00 C ATOM 770 NE ARG C 10 6.685 6.369 3.404 1.00 0.00 N ATOM 771 CZ ARG C 10 7.144 7.319 2.597 1.00 0.00 C ATOM 772 NH1 ARG C 10 7.093 7.158 1.306 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.645 8.415 3.099 1.00 0.00 N ATOM 0 H ARG C 10 8.694 2.096 5.151 1.00 0.00 H new ATOM 0 HA ARG C 10 7.031 3.186 7.158 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.332 4.508 5.489 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.311 3.896 4.203 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.314 4.931 5.216 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.228 5.407 6.633 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.051 7.346 5.147 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.722 6.819 5.169 1.00 0.00 H new ATOM 0 HE ARG C 10 6.304 5.511 3.005 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.700 6.302 0.914 1.00 0.00 H new ATOM 0 HH12 ARG C 10 7.446 7.888 0.687 1.00 0.00 H new ATOM 0 HH21 ARG C 10 7.684 8.541 4.110 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.998 9.145 2.480 1.00 0.00 H new ATOM 787 N CYS C 11 5.536 1.657 4.653 1.00 0.00 N ATOM 788 CA CYS C 11 4.265 1.093 4.211 1.00 0.00 C ATOM 789 C CYS C 11 3.653 0.219 5.299 1.00 0.00 C ATOM 790 O CYS C 11 2.456 0.299 5.575 1.00 0.00 O ATOM 791 CB CYS C 11 4.480 0.258 2.950 1.00 0.00 C ATOM 792 SG CYS C 11 2.877 -0.054 2.162 1.00 0.00 S ATOM 0 H CYS C 11 6.328 1.443 4.047 1.00 0.00 H new ATOM 0 HA CYS C 11 3.582 1.915 3.997 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.142 0.782 2.261 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.965 -0.685 3.202 1.00 0.00 H new ATOM 797 N LYS C 12 4.482 -0.617 5.909 1.00 0.00 N ATOM 798 CA LYS C 12 4.015 -1.505 6.965 1.00 0.00 C ATOM 799 C LYS C 12 3.464 -0.695 8.133 1.00 0.00 C ATOM 800 O LYS C 12 2.426 -1.033 8.701 1.00 0.00 O ATOM 801 CB LYS C 12 5.164 -2.398 7.444 1.00 0.00 C ATOM 802 CG LYS C 12 4.645 -3.383 8.495 1.00 0.00 C ATOM 803 CD LYS C 12 5.779 -4.313 8.926 1.00 0.00 C ATOM 804 CE LYS C 12 5.256 -5.304 9.968 1.00 0.00 C ATOM 805 NZ LYS C 12 6.355 -6.223 10.373 1.00 0.00 N ATOM 0 H LYS C 12 5.475 -0.699 5.693 1.00 0.00 H new ATOM 0 HA LYS C 12 3.218 -2.133 6.567 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.591 -2.941 6.601 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.961 -1.787 7.866 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.258 -2.840 9.357 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.818 -3.965 8.087 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.172 -4.850 8.063 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.602 -3.732 9.342 1.00 0.00 H new ATOM 0 HE2 LYS C 12 4.877 -4.768 10.838 1.00 0.00 H new ATOM 0 HE3 LYS C 12 4.423 -5.875 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 6.001 -6.897 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 6.697 -6.744 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.136 -5.671 10.781 1.00 0.00 H new ATOM 819 N LYS C 13 4.163 0.376 8.485 1.00 0.00 N ATOM 820 CA LYS C 13 3.730 1.227 9.586 1.00 0.00 C ATOM 821 C LYS C 13 2.354 1.813 9.292 1.00 0.00 C ATOM 822 O LYS C 13 1.492 1.869 10.167 1.00 0.00 O ATOM 823 CB LYS C 13 4.741 2.354 9.808 1.00 0.00 C ATOM 824 CG LYS C 13 4.320 3.191 11.018 1.00 0.00 C ATOM 825 CD LYS C 13 5.390 4.246 11.306 1.00 0.00 C ATOM 826 CE LYS C 13 4.986 5.064 12.533 1.00 0.00 C ATOM 827 NZ LYS C 13 3.785 5.887 12.213 1.00 0.00 N ATOM 0 H LYS C 13 5.025 0.675 8.029 1.00 0.00 H new ATOM 0 HA LYS C 13 3.668 0.622 10.491 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.735 1.938 9.970 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.800 2.984 8.920 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.362 3.673 10.824 1.00 0.00 H new ATOM 0 HG3 LYS C 13 4.184 2.549 11.888 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.353 3.765 11.478 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.511 4.901 10.443 1.00 0.00 H new ATOM 0 HE2 LYS C 13 4.772 4.400 13.370 1.00 0.00 H new ATOM 0 HE3 LYS C 13 5.810 5.709 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 3.662 6.620 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 3.911 6.339 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 2.943 5.277 12.190 1.00 0.00 H new ATOM 841 N LEU C 14 2.152 2.242 8.053 1.00 0.00 N ATOM 842 CA LEU C 14 0.871 2.819 7.660 1.00 0.00 C ATOM 843 C LEU C 14 -0.248 1.789 7.788 1.00 0.00 C ATOM 844 O LEU C 14 -1.338 2.099 8.266 1.00 0.00 O ATOM 845 CB LEU C 14 0.956 3.308 6.211 1.00 0.00 C ATOM 846 CG LEU C 14 1.863 4.548 6.132 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.170 4.863 4.663 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.178 5.767 6.789 1.00 0.00 C ATOM 0 H LEU C 14 2.849 2.203 7.310 1.00 0.00 H new ATOM 0 HA LEU C 14 0.648 3.656 8.321 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.350 2.517 5.573 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.040 3.550 5.840 1.00 0.00 H new ATOM 0 HG LEU C 14 2.789 4.339 6.667 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.813 5.742 4.606 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.677 4.013 4.207 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.239 5.059 4.131 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.836 6.634 6.723 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.243 5.981 6.272 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.972 5.548 7.837 1.00 0.00 H new ATOM 860 N LEU C 15 0.033 0.565 7.369 1.00 0.00 N ATOM 861 CA LEU C 15 -0.955 -0.505 7.452 1.00 0.00 C ATOM 862 C LEU C 15 -1.287 -0.815 8.909 1.00 0.00 C ATOM 863 O LEU C 15 -2.441 -1.046 9.264 1.00 0.00 O ATOM 864 CB LEU C 15 -0.417 -1.753 6.753 1.00 0.00 C ATOM 865 CG LEU C 15 -0.333 -1.500 5.236 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.442 -2.644 4.577 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.745 -1.398 4.610 1.00 0.00 C ATOM 0 H LEU C 15 0.930 0.287 6.970 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.870 -0.182 6.956 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.568 -2.005 7.145 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.068 -2.604 6.954 1.00 0.00 H new ATOM 0 HG LEU C 15 0.182 -0.554 5.068 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.504 -2.470 3.503 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.447 -2.691 4.996 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.073 -3.587 4.762 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.656 -1.219 3.538 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.286 -2.329 4.779 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.289 -0.574 5.071 1.00 0.00 H new ATOM 879 N ASP C 16 -0.260 -0.808 9.748 1.00 0.00 N ATOM 880 CA ASP C 16 -0.436 -1.083 11.171 1.00 0.00 C ATOM 881 C ASP C 16 -1.330 -0.029 11.815 1.00 0.00 C ATOM 882 O ASP C 16 -2.107 -0.323 12.723 1.00 0.00 O ATOM 883 CB ASP C 16 0.922 -1.119 11.874 1.00 0.00 C ATOM 884 CG ASP C 16 1.679 -2.384 11.482 1.00 0.00 C ATOM 885 OD1 ASP C 16 1.061 -3.274 10.921 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.869 -2.445 11.747 1.00 0.00 O ATOM 0 H ASP C 16 0.702 -0.616 9.471 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.916 -2.056 11.276 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.504 -0.238 11.603 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.782 -1.089 12.955 1.00 0.00 H new ATOM 891 N ASP C 17 -1.208 1.202 11.336 1.00 0.00 N ATOM 892 CA ASP C 17 -1.996 2.312 11.859 1.00 0.00 C ATOM 893 C ASP C 17 -3.482 2.076 11.607 1.00 0.00 C ATOM 894 O ASP C 17 -4.330 2.813 12.106 1.00 0.00 O ATOM 895 CB ASP C 17 -1.565 3.630 11.208 1.00 0.00 C ATOM 896 CG ASP C 17 -0.187 4.036 11.720 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.248 3.467 12.707 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.414 4.912 11.118 1.00 0.00 O ATOM 0 H ASP C 17 -0.569 1.458 10.584 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.823 2.375 12.933 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.542 3.520 10.124 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.291 4.411 11.433 1.00 0.00 H new ATOM 903 N SER C 18 -3.788 1.051 10.819 1.00 0.00 N ATOM 904 CA SER C 18 -5.172 0.737 10.490 1.00 0.00 C ATOM 905 C SER C 18 -5.978 0.490 11.756 1.00 0.00 C ATOM 906 O SER C 18 -7.164 0.812 11.826 1.00 0.00 O ATOM 907 CB SER C 18 -5.224 -0.509 9.602 1.00 0.00 C ATOM 908 OG SER C 18 -4.576 -0.235 8.368 1.00 0.00 O ATOM 0 H SER C 18 -3.100 0.427 10.398 1.00 0.00 H new ATOM 0 HA SER C 18 -5.602 1.585 9.957 1.00 0.00 H new ATOM 0 HB2 SER C 18 -4.738 -1.347 10.103 1.00 0.00 H new ATOM 0 HB3 SER C 18 -6.259 -0.800 9.425 1.00 0.00 H new ATOM 0 HG SER C 18 -3.762 -0.776 8.299 1.00 0.00 H new ATOM 914 N SER C 19 -5.326 -0.078 12.750 1.00 0.00 N ATOM 915 CA SER C 19 -5.984 -0.367 14.025 1.00 0.00 C ATOM 916 C SER C 19 -6.080 0.888 14.880 1.00 0.00 C ATOM 917 O SER C 19 -6.847 0.946 15.842 1.00 0.00 O ATOM 918 CB SER C 19 -5.223 -1.450 14.790 1.00 0.00 C ATOM 919 OG SER C 19 -5.974 -1.829 15.937 1.00 0.00 O ATOM 0 H SER C 19 -4.344 -0.351 12.708 1.00 0.00 H new ATOM 0 HA SER C 19 -6.991 -0.724 13.807 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.055 -2.315 14.149 1.00 0.00 H new ATOM 0 HB3 SER C 19 -4.242 -1.080 15.089 1.00 0.00 H new ATOM 0 HG SER C 19 -6.521 -1.072 16.234 1.00 0.00 H new ATOM 925 N SER C 20 -5.298 1.887 14.515 1.00 0.00 N ATOM 926 CA SER C 20 -5.290 3.154 15.244 1.00 0.00 C ATOM 927 C SER C 20 -6.495 4.005 14.855 1.00 0.00 C ATOM 928 O SER C 20 -6.965 3.955 13.719 1.00 0.00 O ATOM 929 CB SER C 20 -3.999 3.927 14.955 1.00 0.00 C ATOM 930 OG SER C 20 -3.775 4.868 15.999 1.00 0.00 O ATOM 0 H SER C 20 -4.659 1.852 13.721 1.00 0.00 H new ATOM 0 HA SER C 20 -5.343 2.933 16.310 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.157 3.239 14.882 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.075 4.440 13.996 1.00 0.00 H new ATOM 0 HG SER C 20 -2.949 5.364 15.820 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.609 0.785 -2.173 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.576 1.234 -1.552 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.561 1.605 -0.190 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.636 1.533 0.550 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.822 1.084 -0.074 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.808 0.712 -1.436 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.595 0.388 -3.631 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.829 2.095 0.469 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.109 1.009 0.715 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.724 0.369 -1.917 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.647 1.823 1.601 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.502 1.294 -2.124 1.00 0.00 H new