USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 19 HIS : no HD1:sc=-0.00734 X(o=-0.0073,f=-0.24) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0246 (180deg=-0.211) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.013 F(o=-1,f=-0.013) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.212 K(o=0.21,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0304 (180deg=-0.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -123:sc= 0.108 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 169:sc= -0.0226 (180deg=-0.172) USER MOD Single : B 5 GLN :FLIP amide:sc= -0.0101 F(o=-0.97,f=-0.01) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0.214 K(o=0.21,f=-0.76) USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.223) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.624 6.595 -4.015 1.00 0.00 N ATOM 2 CA GLY A 1 25.106 5.332 -3.441 1.00 0.00 C ATOM 3 C GLY A 1 23.757 4.967 -4.016 1.00 0.00 C ATOM 4 O GLY A 1 23.233 5.678 -4.875 1.00 0.00 O ATOM 0 H1 GLY A 1 26.562 6.428 -4.433 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.973 6.935 -4.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.702 7.311 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.814 4.527 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.025 5.431 -2.358 1.00 0.00 H new ATOM 10 N SER A 2 23.191 3.865 -3.552 1.00 0.00 N ATOM 11 CA SER A 2 21.886 3.425 -4.020 1.00 0.00 C ATOM 12 C SER A 2 20.873 3.435 -2.879 1.00 0.00 C ATOM 13 O SER A 2 19.770 2.905 -3.009 1.00 0.00 O ATOM 14 CB SER A 2 21.990 2.024 -4.628 1.00 0.00 C ATOM 15 OG SER A 2 22.928 1.997 -5.693 1.00 0.00 O ATOM 0 H SER A 2 23.615 3.258 -2.851 1.00 0.00 H new ATOM 0 HA SER A 2 21.542 4.118 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.288 1.312 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.012 1.709 -4.992 1.00 0.00 H new ATOM 0 HG SER A 2 22.977 1.091 -6.063 1.00 0.00 H new ATOM 21 N MET A 3 21.243 4.059 -1.767 1.00 0.00 N ATOM 22 CA MET A 3 20.389 4.093 -0.587 1.00 0.00 C ATOM 23 C MET A 3 19.175 4.976 -0.841 1.00 0.00 C ATOM 24 O MET A 3 18.047 4.601 -0.519 1.00 0.00 O ATOM 25 CB MET A 3 21.185 4.592 0.630 1.00 0.00 C ATOM 26 CG MET A 3 20.407 4.587 1.942 1.00 0.00 C ATOM 27 SD MET A 3 19.330 6.025 2.137 1.00 0.00 S ATOM 28 CE MET A 3 18.532 5.634 3.691 1.00 0.00 C ATOM 0 H MET A 3 22.131 4.549 -1.658 1.00 0.00 H new ATOM 0 HA MET A 3 20.038 3.083 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.073 3.971 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.530 5.607 0.431 1.00 0.00 H new ATOM 0 HG2 MET A 3 19.805 3.680 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.110 4.553 2.774 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.833 6.429 3.951 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.991 4.692 3.596 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.285 5.542 4.474 1.00 0.00 H new ATOM 38 N LYS A 4 19.405 6.132 -1.448 1.00 0.00 N ATOM 39 CA LYS A 4 18.325 7.073 -1.719 1.00 0.00 C ATOM 40 C LYS A 4 17.398 6.530 -2.799 1.00 0.00 C ATOM 41 O LYS A 4 16.194 6.780 -2.776 1.00 0.00 O ATOM 42 CB LYS A 4 18.873 8.441 -2.130 1.00 0.00 C ATOM 43 CG LYS A 4 19.567 9.186 -1.002 1.00 0.00 C ATOM 44 CD LYS A 4 20.031 10.561 -1.449 1.00 0.00 C ATOM 45 CE LYS A 4 20.691 11.320 -0.309 1.00 0.00 C ATOM 46 NZ LYS A 4 21.896 10.618 0.202 1.00 0.00 N ATOM 0 H LYS A 4 20.325 6.441 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 4 17.755 7.198 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.576 8.309 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.053 9.053 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.885 9.287 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.422 8.607 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.734 10.459 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.180 11.130 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.970 12.317 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.975 11.450 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.428 11.254 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.606 9.772 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.499 10.336 -0.597 1.00 0.00 H new ATOM 60 N GLN A 5 17.959 5.778 -3.735 1.00 0.00 N ATOM 61 CA GLN A 5 17.172 5.153 -4.788 1.00 0.00 C ATOM 62 C GLN A 5 16.171 4.165 -4.198 1.00 0.00 C ATOM 63 O GLN A 5 15.011 4.121 -4.614 1.00 0.00 O ATOM 64 CB GLN A 5 18.083 4.455 -5.798 1.00 0.00 C ATOM 65 CG GLN A 5 18.796 5.421 -6.732 1.00 0.00 C ATOM 66 CD GLN A 5 19.796 4.730 -7.636 1.00 0.00 C ATOM 67 OE1 GLN A 5 21.048 4.680 -7.208 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 19.446 4.265 -8.722 1.00 0.00 N flip ATOM 0 H GLN A 5 18.959 5.586 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 5 16.617 5.934 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.826 3.865 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.490 3.758 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.058 5.940 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.310 6.179 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.470 4.326 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.132 3.819 -9.331 1.00 0.00 H new ATOM 77 N LEU A 6 16.614 3.386 -3.219 1.00 0.00 N ATOM 78 CA LEU A 6 15.732 2.452 -2.532 1.00 0.00 C ATOM 79 C LEU A 6 14.782 3.197 -1.602 1.00 0.00 C ATOM 80 O LEU A 6 13.623 2.816 -1.452 1.00 0.00 O ATOM 81 CB LEU A 6 16.533 1.407 -1.744 1.00 0.00 C ATOM 82 CG LEU A 6 16.952 0.153 -2.527 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.731 -0.575 -3.069 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.905 0.502 -3.659 1.00 0.00 C ATOM 0 H LEU A 6 17.577 3.383 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 6 15.147 1.931 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.431 1.885 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.939 1.094 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 6 17.475 -0.509 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.050 -1.460 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.089 -0.875 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.178 0.088 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.183 -0.406 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.416 1.193 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.800 0.970 -3.250 1.00 0.00 H new ATOM 96 N GLU A 7 15.274 4.274 -1.000 1.00 0.00 N ATOM 97 CA GLU A 7 14.479 5.092 -0.106 1.00 0.00 C ATOM 98 C GLU A 7 13.321 5.740 -0.863 1.00 0.00 C ATOM 99 O GLU A 7 12.190 5.773 -0.379 1.00 0.00 O ATOM 100 CB GLU A 7 15.369 6.158 0.536 1.00 0.00 C ATOM 101 CG GLU A 7 14.616 7.129 1.419 1.00 0.00 C ATOM 102 CD GLU A 7 14.053 6.482 2.671 1.00 0.00 C ATOM 103 OE1 GLU A 7 12.903 5.999 2.627 1.00 0.00 O ATOM 104 OE2 GLU A 7 14.765 6.461 3.697 1.00 0.00 O ATOM 0 H GLU A 7 16.233 4.600 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 7 14.058 4.462 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.141 5.666 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.878 6.715 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.283 7.942 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.800 7.572 0.848 1.00 0.00 H new ATOM 111 N ASP A 8 13.608 6.240 -2.058 1.00 0.00 N ATOM 112 CA ASP A 8 12.585 6.853 -2.898 1.00 0.00 C ATOM 113 C ASP A 8 11.605 5.809 -3.415 1.00 0.00 C ATOM 114 O ASP A 8 10.450 6.121 -3.700 1.00 0.00 O ATOM 115 CB ASP A 8 13.215 7.595 -4.080 1.00 0.00 C ATOM 116 CG ASP A 8 13.712 8.981 -3.712 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.907 9.119 -3.384 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.903 9.929 -3.761 1.00 0.00 O ATOM 0 H ASP A 8 14.542 6.233 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 8 12.044 7.570 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.047 7.008 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.482 7.679 -4.882 1.00 0.00 H new ATOM 123 N LYS A 9 12.068 4.570 -3.525 1.00 0.00 N ATOM 124 CA LYS A 9 11.240 3.489 -4.043 1.00 0.00 C ATOM 125 C LYS A 9 10.299 2.967 -2.961 1.00 0.00 C ATOM 126 O LYS A 9 9.116 2.734 -3.215 1.00 0.00 O ATOM 127 CB LYS A 9 12.115 2.353 -4.579 1.00 0.00 C ATOM 128 CG LYS A 9 11.335 1.293 -5.339 1.00 0.00 C ATOM 129 CD LYS A 9 12.236 0.166 -5.821 1.00 0.00 C ATOM 130 CE LYS A 9 13.270 0.658 -6.822 1.00 0.00 C ATOM 131 NZ LYS A 9 14.106 -0.450 -7.351 1.00 0.00 N ATOM 0 H LYS A 9 13.013 4.289 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 9 10.639 3.882 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.878 2.772 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.635 1.882 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.555 0.885 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.837 1.751 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.742 -0.285 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.628 -0.614 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.765 1.157 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.911 1.400 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.797 -0.070 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.609 -0.911 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.498 -1.146 -7.829 1.00 0.00 H new ATOM 145 N VAL A 10 10.823 2.795 -1.753 1.00 0.00 N ATOM 146 CA VAL A 10 10.010 2.330 -0.637 1.00 0.00 C ATOM 147 C VAL A 10 9.013 3.412 -0.217 1.00 0.00 C ATOM 148 O VAL A 10 7.882 3.114 0.159 1.00 0.00 O ATOM 149 CB VAL A 10 10.878 1.889 0.571 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.657 3.054 1.158 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.023 1.227 1.638 1.00 0.00 C ATOM 0 H VAL A 10 11.801 2.969 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 10 9.459 1.453 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 10 11.600 1.160 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.253 2.705 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.316 3.472 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.962 3.822 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.654 0.926 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.268 1.931 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.534 0.348 1.218 1.00 0.00 H new ATOM 161 N GLU A 11 9.429 4.673 -0.317 1.00 0.00 N ATOM 162 CA GLU A 11 8.537 5.793 -0.042 1.00 0.00 C ATOM 163 C GLU A 11 7.471 5.876 -1.131 1.00 0.00 C ATOM 164 O GLU A 11 6.323 6.233 -0.871 1.00 0.00 O ATOM 165 CB GLU A 11 9.327 7.102 0.036 1.00 0.00 C ATOM 166 CG GLU A 11 8.490 8.301 0.450 1.00 0.00 C ATOM 167 CD GLU A 11 9.308 9.571 0.565 1.00 0.00 C ATOM 168 OE1 GLU A 11 9.869 9.819 1.652 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.386 10.318 -0.431 1.00 0.00 O ATOM 0 H GLU A 11 10.375 4.942 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 11 8.051 5.633 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.145 6.980 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.776 7.303 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.693 8.451 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.012 8.093 1.407 1.00 0.00 H new ATOM 176 N GLU A 12 7.870 5.544 -2.353 1.00 0.00 N ATOM 177 CA GLU A 12 6.940 5.456 -3.474 1.00 0.00 C ATOM 178 C GLU A 12 5.819 4.452 -3.176 1.00 0.00 C ATOM 179 O GLU A 12 4.640 4.754 -3.376 1.00 0.00 O ATOM 180 CB GLU A 12 7.692 5.058 -4.746 1.00 0.00 C ATOM 181 CG GLU A 12 6.831 5.037 -5.997 1.00 0.00 C ATOM 182 CD GLU A 12 7.629 4.690 -7.239 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.810 3.485 -7.513 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.074 5.624 -7.937 1.00 0.00 O ATOM 0 H GLU A 12 8.838 5.330 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 12 6.484 6.435 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.518 5.752 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.129 4.070 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.027 4.312 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.363 6.012 -6.129 1.00 0.00 H new ATOM 191 N LEU A 13 6.182 3.260 -2.712 1.00 0.00 N ATOM 192 CA LEU A 13 5.191 2.266 -2.311 1.00 0.00 C ATOM 193 C LEU A 13 4.449 2.662 -1.040 1.00 0.00 C ATOM 194 O LEU A 13 3.271 2.338 -0.891 1.00 0.00 O ATOM 195 CB LEU A 13 5.838 0.898 -2.158 1.00 0.00 C ATOM 196 CG LEU A 13 5.531 -0.043 -3.313 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.597 -1.119 -3.431 1.00 0.00 C ATOM 198 CD2 LEU A 13 4.162 -0.677 -3.123 1.00 0.00 C ATOM 0 H LEU A 13 7.151 2.959 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 13 4.447 2.216 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.918 1.021 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.497 0.444 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 13 5.527 0.537 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.356 -1.780 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.567 -0.653 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.634 -1.697 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.953 -1.348 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.148 -1.241 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.402 0.103 -3.087 1.00 0.00 H new ATOM 210 N LEU A 14 5.127 3.345 -0.126 1.00 0.00 N ATOM 211 CA LEU A 14 4.461 3.941 1.024 1.00 0.00 C ATOM 212 C LEU A 14 3.351 4.867 0.525 1.00 0.00 C ATOM 213 O LEU A 14 2.236 4.866 1.050 1.00 0.00 O ATOM 214 CB LEU A 14 5.499 4.683 1.897 1.00 0.00 C ATOM 215 CG LEU A 14 4.979 5.460 3.119 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.405 6.812 2.718 1.00 0.00 C ATOM 217 CD2 LEU A 14 3.946 4.645 3.886 1.00 0.00 C ATOM 0 H LEU A 14 6.135 3.499 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 14 4.004 3.174 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.226 3.951 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.036 5.383 1.257 1.00 0.00 H new ATOM 0 HG LEU A 14 5.830 5.640 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.047 7.333 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.180 7.408 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.576 6.665 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.595 5.218 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.104 4.418 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.399 3.715 4.231 1.00 0.00 H new ATOM 229 N SER A 15 3.663 5.625 -0.516 1.00 0.00 N ATOM 230 CA SER A 15 2.695 6.490 -1.158 1.00 0.00 C ATOM 231 C SER A 15 1.562 5.671 -1.781 1.00 0.00 C ATOM 232 O SER A 15 0.392 6.007 -1.605 1.00 0.00 O ATOM 233 CB SER A 15 3.383 7.352 -2.221 1.00 0.00 C ATOM 234 OG SER A 15 2.494 8.312 -2.768 1.00 0.00 O ATOM 0 H SER A 15 4.592 5.655 -0.935 1.00 0.00 H new ATOM 0 HA SER A 15 2.261 7.145 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.241 7.859 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.765 6.713 -3.017 1.00 0.00 H new ATOM 0 HG SER A 15 2.964 8.846 -3.442 1.00 0.00 H new ATOM 240 N LYS A 16 1.897 4.593 -2.505 1.00 0.00 N ATOM 241 CA LYS A 16 0.862 3.747 -3.099 1.00 0.00 C ATOM 242 C LYS A 16 -0.037 3.131 -2.028 1.00 0.00 C ATOM 243 O LYS A 16 -1.259 3.140 -2.166 1.00 0.00 O ATOM 244 CB LYS A 16 1.465 2.651 -3.978 1.00 0.00 C ATOM 245 CG LYS A 16 2.175 3.192 -5.208 1.00 0.00 C ATOM 246 CD LYS A 16 2.092 2.231 -6.382 1.00 0.00 C ATOM 247 CE LYS A 16 2.771 0.906 -6.088 1.00 0.00 C ATOM 248 NZ LYS A 16 2.712 -0.013 -7.254 1.00 0.00 N ATOM 0 H LYS A 16 2.855 4.294 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 16 0.251 4.391 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.171 2.067 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.674 1.971 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.734 4.148 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.221 3.382 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.046 2.054 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.555 2.688 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.812 1.083 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.293 0.435 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.186 -0.907 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.719 -0.202 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.190 0.426 -8.067 1.00 0.00 H new ATOM 262 N ASN A 17 0.570 2.610 -0.966 1.00 0.00 N ATOM 263 CA ASN A 17 -0.174 2.092 0.180 1.00 0.00 C ATOM 264 C ASN A 17 -1.126 3.157 0.719 1.00 0.00 C ATOM 265 O ASN A 17 -2.300 2.894 0.962 1.00 0.00 O ATOM 266 CB ASN A 17 0.802 1.659 1.280 1.00 0.00 C ATOM 267 CG ASN A 17 0.108 1.154 2.533 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.960 0.551 2.475 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.709 1.415 3.684 1.00 0.00 N ATOM 0 H ASN A 17 1.583 2.535 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.759 1.230 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.452 0.875 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.441 2.502 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.285 1.112 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.596 1.918 3.694 1.00 0.00 H new ATOM 276 N TYR A 18 -0.604 4.367 0.880 1.00 0.00 N ATOM 277 CA TYR A 18 -1.388 5.499 1.359 1.00 0.00 C ATOM 278 C TYR A 18 -2.550 5.794 0.414 1.00 0.00 C ATOM 279 O TYR A 18 -3.662 6.076 0.857 1.00 0.00 O ATOM 280 CB TYR A 18 -0.488 6.730 1.502 1.00 0.00 C ATOM 281 CG TYR A 18 -1.207 7.975 1.971 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.724 8.059 3.257 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.354 9.072 1.132 1.00 0.00 C ATOM 284 CE1 TYR A 18 -2.370 9.198 3.693 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.999 10.216 1.560 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.505 10.273 2.843 1.00 0.00 C ATOM 287 OH TYR A 18 -3.142 11.413 3.279 1.00 0.00 O ATOM 0 H TYR A 18 0.371 4.591 0.683 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.804 5.247 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.313 6.500 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.019 6.936 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.619 7.219 3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.957 9.030 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.768 9.246 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.107 11.060 0.895 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.152 12.078 2.559 1.00 0.00 H new ATOM 297 N HIS A 19 -2.285 5.713 -0.886 1.00 0.00 N ATOM 298 CA HIS A 19 -3.316 5.941 -1.895 1.00 0.00 C ATOM 299 C HIS A 19 -4.445 4.932 -1.735 1.00 0.00 C ATOM 300 O HIS A 19 -5.618 5.300 -1.688 1.00 0.00 O ATOM 301 CB HIS A 19 -2.740 5.839 -3.314 1.00 0.00 C ATOM 302 CG HIS A 19 -1.730 6.894 -3.645 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.775 6.734 -4.626 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.530 8.130 -3.128 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.032 7.822 -4.698 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.470 8.684 -3.801 1.00 0.00 N ATOM 0 H HIS A 19 -1.365 5.491 -1.267 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.703 6.949 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.279 4.859 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.559 5.898 -4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.098 8.593 -2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.794 7.980 -5.376 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.083 9.613 -3.634 1.00 0.00 H new ATOM 315 N LEU A 20 -4.079 3.661 -1.631 1.00 0.00 N ATOM 316 CA LEU A 20 -5.057 2.594 -1.469 1.00 0.00 C ATOM 317 C LEU A 20 -5.763 2.708 -0.123 1.00 0.00 C ATOM 318 O LEU A 20 -6.950 2.402 -0.014 1.00 0.00 O ATOM 319 CB LEU A 20 -4.398 1.216 -1.620 1.00 0.00 C ATOM 320 CG LEU A 20 -4.261 0.693 -3.059 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.627 0.435 -3.670 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.482 1.665 -3.928 1.00 0.00 C ATOM 0 H LEU A 20 -3.110 3.344 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.803 2.700 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.405 1.258 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.976 0.493 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.710 -0.246 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.506 0.066 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.157 -0.308 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.199 1.362 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.403 1.266 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.000 2.624 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.484 1.804 -3.513 1.00 0.00 H new ATOM 334 N GLU A 21 -5.042 3.170 0.896 1.00 0.00 N ATOM 335 CA GLU A 21 -5.647 3.415 2.203 1.00 0.00 C ATOM 336 C GLU A 21 -6.765 4.447 2.089 1.00 0.00 C ATOM 337 O GLU A 21 -7.820 4.306 2.713 1.00 0.00 O ATOM 338 CB GLU A 21 -4.600 3.885 3.216 1.00 0.00 C ATOM 339 CG GLU A 21 -3.662 2.782 3.681 1.00 0.00 C ATOM 340 CD GLU A 21 -2.583 3.284 4.615 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.789 3.223 5.844 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.533 3.738 4.118 1.00 0.00 O ATOM 0 H GLU A 21 -4.045 3.381 0.843 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.068 2.474 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.011 4.687 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.109 4.306 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.241 2.008 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.196 2.317 2.812 1.00 0.00 H new ATOM 349 N ASN A 22 -6.534 5.470 1.272 1.00 0.00 N ATOM 350 CA ASN A 22 -7.539 6.499 1.024 1.00 0.00 C ATOM 351 C ASN A 22 -8.745 5.905 0.308 1.00 0.00 C ATOM 352 O ASN A 22 -9.876 6.356 0.489 1.00 0.00 O ATOM 353 CB ASN A 22 -6.959 7.638 0.180 1.00 0.00 C ATOM 354 CG ASN A 22 -5.860 8.406 0.888 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.843 8.508 2.117 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.937 8.957 0.116 1.00 0.00 N ATOM 0 H ASN A 22 -5.658 5.609 0.769 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.851 6.897 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.566 7.228 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.760 8.327 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.174 9.490 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.988 8.848 -0.897 1.00 0.00 H new ATOM 363 N GLU A 23 -8.498 4.876 -0.494 1.00 0.00 N ATOM 364 CA GLU A 23 -9.554 4.244 -1.270 1.00 0.00 C ATOM 365 C GLU A 23 -10.380 3.324 -0.381 1.00 0.00 C ATOM 366 O GLU A 23 -11.604 3.288 -0.482 1.00 0.00 O ATOM 367 CB GLU A 23 -8.976 3.456 -2.449 1.00 0.00 C ATOM 368 CG GLU A 23 -8.012 4.255 -3.315 1.00 0.00 C ATOM 369 CD GLU A 23 -8.591 5.571 -3.801 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.307 5.565 -4.822 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.317 6.609 -3.164 1.00 0.00 O ATOM 0 H GLU A 23 -7.575 4.463 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.197 5.029 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.460 2.576 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.797 3.099 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.103 4.454 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.724 3.653 -4.177 1.00 0.00 H new ATOM 378 N VAL A 24 -9.710 2.589 0.498 1.00 0.00 N ATOM 379 CA VAL A 24 -10.406 1.709 1.429 1.00 0.00 C ATOM 380 C VAL A 24 -11.303 2.529 2.352 1.00 0.00 C ATOM 381 O VAL A 24 -12.445 2.155 2.626 1.00 0.00 O ATOM 382 CB VAL A 24 -9.429 0.851 2.275 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.189 -0.043 3.247 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.549 0.007 1.375 1.00 0.00 C ATOM 0 H VAL A 24 -8.694 2.584 0.586 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.011 1.025 0.834 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.800 1.529 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.481 -0.634 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.784 0.574 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.847 -0.710 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.870 -0.589 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.172 -0.655 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.971 0.657 0.718 1.00 0.00 H new ATOM 394 N ALA A 25 -10.793 3.676 2.783 1.00 0.00 N ATOM 395 CA ALA A 25 -11.531 4.549 3.685 1.00 0.00 C ATOM 396 C ALA A 25 -12.751 5.158 2.997 1.00 0.00 C ATOM 397 O ALA A 25 -13.764 5.435 3.643 1.00 0.00 O ATOM 398 CB ALA A 25 -10.621 5.646 4.219 1.00 0.00 C ATOM 0 H ALA A 25 -9.870 4.023 2.522 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.886 3.945 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.185 6.291 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.788 5.197 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.236 6.237 3.387 1.00 0.00 H new ATOM 404 N ARG A 26 -12.655 5.355 1.686 1.00 0.00 N ATOM 405 CA ARG A 26 -13.742 5.966 0.931 1.00 0.00 C ATOM 406 C ARG A 26 -14.899 4.985 0.781 1.00 0.00 C ATOM 407 O ARG A 26 -16.062 5.340 0.953 1.00 0.00 O ATOM 408 CB ARG A 26 -13.247 6.448 -0.447 1.00 0.00 C ATOM 409 CG ARG A 26 -13.336 5.421 -1.573 1.00 0.00 C ATOM 410 CD ARG A 26 -12.861 5.988 -2.898 1.00 0.00 C ATOM 411 NE ARG A 26 -13.637 7.156 -3.309 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.832 7.512 -4.577 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.348 6.769 -5.565 1.00 0.00 N ATOM 414 NH2 ARG A 26 -14.524 8.608 -4.857 1.00 0.00 N ATOM 0 H ARG A 26 -11.840 5.102 1.127 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.099 6.836 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.824 7.327 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.209 6.766 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.736 4.548 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.367 5.081 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.809 6.263 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.931 5.218 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.055 7.734 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.823 5.920 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.501 7.047 -6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.906 9.177 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.674 8.882 -5.828 1.00 0.00 H new ATOM 428 N LEU A 27 -14.559 3.746 0.474 1.00 0.00 N ATOM 429 CA LEU A 27 -15.557 2.705 0.267 1.00 0.00 C ATOM 430 C LEU A 27 -16.173 2.236 1.573 1.00 0.00 C ATOM 431 O LEU A 27 -17.372 1.978 1.629 1.00 0.00 O ATOM 432 CB LEU A 27 -14.938 1.524 -0.455 1.00 0.00 C ATOM 433 CG LEU A 27 -14.428 1.821 -1.854 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.373 0.816 -2.245 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.578 1.800 -2.846 1.00 0.00 C ATOM 0 H LEU A 27 -13.595 3.432 0.361 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.352 3.137 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.110 1.145 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.679 0.727 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.981 2.815 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.014 1.038 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.541 0.869 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.800 -0.186 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.200 2.014 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.047 0.816 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.313 2.555 -2.567 1.00 0.00 H new ATOM 447 N LYS A 28 -15.355 2.111 2.611 1.00 0.00 N ATOM 448 CA LYS A 28 -15.831 1.660 3.915 1.00 0.00 C ATOM 449 C LYS A 28 -17.066 2.443 4.368 1.00 0.00 C ATOM 450 O LYS A 28 -18.032 1.859 4.861 1.00 0.00 O ATOM 451 CB LYS A 28 -14.717 1.773 4.957 1.00 0.00 C ATOM 452 CG LYS A 28 -15.036 1.074 6.270 1.00 0.00 C ATOM 453 CD LYS A 28 -15.302 -0.410 6.061 1.00 0.00 C ATOM 454 CE LYS A 28 -15.554 -1.128 7.376 1.00 0.00 C ATOM 455 NZ LYS A 28 -14.366 -1.097 8.266 1.00 0.00 N ATOM 0 H LYS A 28 -14.356 2.316 2.576 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.121 0.614 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.801 1.351 4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.522 2.827 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.204 1.202 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.908 1.540 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.165 -0.536 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.450 -0.865 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.400 -0.665 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.830 -2.163 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.498 -1.774 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.518 -1.356 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.249 -0.140 8.655 1.00 0.00 H new ATOM 469 N LYS A 29 -17.048 3.758 4.184 1.00 0.00 N ATOM 470 CA LYS A 29 -18.180 4.582 4.570 1.00 0.00 C ATOM 471 C LYS A 29 -19.306 4.496 3.542 1.00 0.00 C ATOM 472 O LYS A 29 -20.474 4.640 3.890 1.00 0.00 O ATOM 473 CB LYS A 29 -17.749 6.032 4.777 1.00 0.00 C ATOM 474 CG LYS A 29 -17.044 6.652 3.584 1.00 0.00 C ATOM 475 CD LYS A 29 -16.671 8.098 3.854 1.00 0.00 C ATOM 476 CE LYS A 29 -15.889 8.695 2.699 1.00 0.00 C ATOM 477 NZ LYS A 29 -15.528 10.114 2.949 1.00 0.00 N ATOM 0 H LYS A 29 -16.268 4.270 3.773 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.562 4.198 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.629 6.630 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.087 6.082 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.146 6.080 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.691 6.599 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.575 8.683 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.077 8.158 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.982 8.113 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.481 8.626 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.995 10.485 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.394 10.675 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.942 10.177 3.806 1.00 0.00 H new ATOM 491 N LEU A 30 -18.958 4.245 2.282 1.00 0.00 N ATOM 492 CA LEU A 30 -19.962 4.084 1.232 1.00 0.00 C ATOM 493 C LEU A 30 -20.782 2.818 1.463 1.00 0.00 C ATOM 494 O LEU A 30 -21.964 2.763 1.128 1.00 0.00 O ATOM 495 CB LEU A 30 -19.308 4.040 -0.153 1.00 0.00 C ATOM 496 CG LEU A 30 -18.649 5.345 -0.607 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.010 5.171 -1.976 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.664 6.475 -0.634 1.00 0.00 C ATOM 0 H LEU A 30 -17.994 4.149 1.964 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.627 4.947 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.555 3.252 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.065 3.761 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.868 5.602 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.546 6.109 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.251 4.390 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.774 4.890 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.177 7.394 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.468 6.226 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.077 6.617 0.365 1.00 0.00 H new ATOM 510 N VAL A 31 -20.148 1.802 2.038 1.00 0.00 N ATOM 511 CA VAL A 31 -20.849 0.574 2.399 1.00 0.00 C ATOM 512 C VAL A 31 -21.630 0.796 3.692 1.00 0.00 C ATOM 513 O VAL A 31 -22.620 0.115 3.971 1.00 0.00 O ATOM 514 CB VAL A 31 -19.872 -0.616 2.573 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.628 -1.916 2.812 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.966 -0.751 1.360 1.00 0.00 C ATOM 0 H VAL A 31 -19.153 1.804 2.264 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.532 0.324 1.587 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.255 -0.413 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.917 -2.734 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.231 -1.825 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.278 -2.121 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.288 -1.593 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.572 -0.921 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.387 0.164 1.235 1.00 0.00 H new ATOM 526 N GLY A 32 -21.183 1.773 4.470 1.00 0.00 N ATOM 527 CA GLY A 32 -21.863 2.117 5.700 1.00 0.00 C ATOM 528 C GLY A 32 -23.121 2.918 5.443 1.00 0.00 C ATOM 529 O GLY A 32 -24.204 2.545 5.893 1.00 0.00 O ATOM 0 H GLY A 32 -20.356 2.336 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.117 1.206 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.191 2.691 6.338 1.00 0.00 H new ATOM 533 N GLU A 33 -22.978 4.019 4.714 1.00 0.00 N ATOM 534 CA GLU A 33 -24.114 4.854 4.353 1.00 0.00 C ATOM 535 C GLU A 33 -23.838 5.592 3.044 1.00 0.00 C ATOM 536 O GLU A 33 -24.516 5.290 2.035 1.00 0.00 O ATOM 537 CB GLU A 33 -24.484 5.843 5.480 1.00 0.00 C ATOM 538 CG GLU A 33 -23.384 6.821 5.892 1.00 0.00 C ATOM 539 CD GLU A 33 -22.313 6.197 6.767 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.588 5.964 7.962 1.00 0.00 O ATOM 541 OE2 GLU A 33 -21.199 5.957 6.263 1.00 0.00 O ATOM 542 OXT GLU A 33 -22.930 6.448 3.015 1.00 0.00 O ATOM 0 H GLU A 33 -22.082 4.354 4.361 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.973 4.199 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -25.355 6.417 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.782 5.270 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.917 7.228 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.835 7.658 6.425 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.632 -6.806 3.316 1.00 0.00 N ATOM 551 CA GLY B 1 25.116 -5.543 2.738 1.00 0.00 C ATOM 552 C GLY B 1 23.773 -5.167 3.321 1.00 0.00 C ATOM 553 O GLY B 1 23.253 -5.867 4.189 1.00 0.00 O ATOM 0 H1 GLY B 1 26.566 -6.637 3.740 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.976 -7.147 4.048 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.716 -7.522 2.566 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.830 -4.740 2.922 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.027 -5.648 1.657 1.00 0.00 H new ATOM 559 N SER B 2 23.210 -4.065 2.858 1.00 0.00 N ATOM 560 CA SER B 2 21.907 -3.621 3.328 1.00 0.00 C ATOM 561 C SER B 2 20.887 -3.630 2.191 1.00 0.00 C ATOM 562 O SER B 2 19.784 -3.106 2.326 1.00 0.00 O ATOM 563 CB SER B 2 22.018 -2.222 3.934 1.00 0.00 C ATOM 564 OG SER B 2 22.959 -2.204 4.999 1.00 0.00 O ATOM 0 H SER B 2 23.635 -3.459 2.156 1.00 0.00 H new ATOM 0 HA SER B 2 21.563 -4.313 4.097 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.320 -1.511 3.165 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.043 -1.901 4.300 1.00 0.00 H new ATOM 0 HG SER B 2 23.015 -1.299 5.371 1.00 0.00 H new ATOM 570 N MET B 3 21.253 -4.258 1.078 1.00 0.00 N ATOM 571 CA MET B 3 20.393 -4.295 -0.097 1.00 0.00 C ATOM 572 C MET B 3 19.176 -5.175 0.163 1.00 0.00 C ATOM 573 O MET B 3 18.048 -4.798 -0.157 1.00 0.00 O ATOM 574 CB MET B 3 21.183 -4.799 -1.317 1.00 0.00 C ATOM 575 CG MET B 3 20.400 -4.794 -2.624 1.00 0.00 C ATOM 576 SD MET B 3 19.323 -6.229 -2.808 1.00 0.00 S ATOM 577 CE MET B 3 18.517 -5.845 -4.359 1.00 0.00 C ATOM 0 H MET B 3 22.140 -4.748 0.966 1.00 0.00 H new ATOM 0 HA MET B 3 20.042 -3.285 -0.309 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.072 -4.180 -1.439 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.526 -5.814 -1.118 1.00 0.00 H new ATOM 0 HG2 MET B 3 19.799 -3.886 -2.677 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.099 -4.762 -3.460 1.00 0.00 H new ATOM 0 HE1 MET B 3 17.817 -6.641 -4.612 1.00 0.00 H new ATOM 0 HE2 MET B 3 17.977 -4.903 -4.265 1.00 0.00 H new ATOM 0 HE3 MET B 3 19.266 -5.757 -5.146 1.00 0.00 H new ATOM 587 N LYS B 4 19.404 -6.330 0.774 1.00 0.00 N ATOM 588 CA LYS B 4 18.322 -7.266 1.053 1.00 0.00 C ATOM 589 C LYS B 4 17.401 -6.720 2.137 1.00 0.00 C ATOM 590 O LYS B 4 16.198 -6.968 2.123 1.00 0.00 O ATOM 591 CB LYS B 4 18.869 -8.634 1.465 1.00 0.00 C ATOM 592 CG LYS B 4 19.556 -9.385 0.336 1.00 0.00 C ATOM 593 CD LYS B 4 20.018 -10.760 0.784 1.00 0.00 C ATOM 594 CE LYS B 4 20.672 -11.526 -0.354 1.00 0.00 C ATOM 595 NZ LYS B 4 21.879 -10.833 -0.875 1.00 0.00 N ATOM 0 H LYS B 4 20.324 -6.641 1.085 1.00 0.00 H new ATOM 0 HA LYS B 4 17.746 -7.390 0.136 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.576 -8.501 2.283 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.050 -9.242 1.848 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.870 -9.486 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.412 -8.810 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.724 -10.657 1.608 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.167 -11.326 1.163 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.948 -12.522 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.953 -11.657 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.396 -11.470 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.592 -9.979 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.495 -10.564 -0.081 1.00 0.00 H new ATOM 609 N GLN B 5 17.970 -5.963 3.065 1.00 0.00 N ATOM 610 CA GLN B 5 17.189 -5.335 4.121 1.00 0.00 C ATOM 611 C GLN B 5 16.188 -4.345 3.536 1.00 0.00 C ATOM 612 O GLN B 5 15.032 -4.296 3.959 1.00 0.00 O ATOM 613 CB GLN B 5 18.108 -4.640 5.126 1.00 0.00 C ATOM 614 CG GLN B 5 18.823 -5.606 6.059 1.00 0.00 C ATOM 615 CD GLN B 5 19.831 -4.917 6.955 1.00 0.00 C ATOM 616 OE1 GLN B 5 21.082 -4.873 6.522 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 19.493 -4.441 8.039 1.00 0.00 N flip ATOM 0 H GLN B 5 18.970 -5.769 3.108 1.00 0.00 H new ATOM 0 HA GLN B 5 16.633 -6.113 4.644 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.850 -4.054 4.584 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.521 -3.940 5.720 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.086 -6.120 6.676 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.330 -6.368 5.467 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.519 -4.494 8.338 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.187 -3.993 8.638 1.00 0.00 H new ATOM 626 N LEU B 6 16.630 -3.571 2.553 1.00 0.00 N ATOM 627 CA LEU B 6 15.746 -2.636 1.865 1.00 0.00 C ATOM 628 C LEU B 6 14.791 -3.382 0.940 1.00 0.00 C ATOM 629 O LEU B 6 13.632 -2.998 0.792 1.00 0.00 O ATOM 630 CB LEU B 6 16.547 -1.595 1.071 1.00 0.00 C ATOM 631 CG LEU B 6 16.973 -0.341 1.848 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.757 0.392 2.394 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.932 -0.691 2.977 1.00 0.00 C ATOM 0 H LEU B 6 17.592 -3.571 2.214 1.00 0.00 H new ATOM 0 HA LEU B 6 15.164 -2.111 2.623 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.442 -2.077 0.678 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.950 -1.283 0.214 1.00 0.00 H new ATOM 0 HG LEU B 6 17.494 0.318 1.154 1.00 0.00 H new ATOM 0 HD11 LEU B 6 16.081 1.277 2.941 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.112 0.692 1.568 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.206 -0.267 3.064 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.215 0.217 3.508 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.445 -1.379 3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.824 -1.163 2.564 1.00 0.00 H new ATOM 645 N GLU B 7 15.281 -4.461 0.337 1.00 0.00 N ATOM 646 CA GLU B 7 14.480 -5.279 -0.550 1.00 0.00 C ATOM 647 C GLU B 7 13.324 -5.926 0.213 1.00 0.00 C ATOM 648 O GLU B 7 12.193 -5.964 -0.267 1.00 0.00 O ATOM 649 CB GLU B 7 15.364 -6.347 -1.195 1.00 0.00 C ATOM 650 CG GLU B 7 14.606 -7.315 -2.075 1.00 0.00 C ATOM 651 CD GLU B 7 14.048 -6.671 -3.330 1.00 0.00 C ATOM 652 OE1 GLU B 7 12.900 -6.181 -3.288 1.00 0.00 O ATOM 653 OE2 GLU B 7 14.758 -6.664 -4.355 1.00 0.00 O ATOM 0 H GLU B 7 16.241 -4.787 0.453 1.00 0.00 H new ATOM 0 HA GLU B 7 14.055 -4.648 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.135 -5.857 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.874 -6.906 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.268 -8.133 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU B 7 13.787 -7.751 -1.503 1.00 0.00 H new ATOM 660 N ASP B 8 13.616 -6.419 1.411 1.00 0.00 N ATOM 661 CA ASP B 8 12.594 -7.028 2.257 1.00 0.00 C ATOM 662 C ASP B 8 11.619 -5.981 2.778 1.00 0.00 C ATOM 663 O ASP B 8 10.467 -6.292 3.078 1.00 0.00 O ATOM 664 CB ASP B 8 13.229 -7.769 3.438 1.00 0.00 C ATOM 665 CG ASP B 8 13.719 -9.157 3.068 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.916 -9.301 2.753 1.00 0.00 O ATOM 667 OD2 ASP B 8 12.902 -10.100 3.103 1.00 0.00 O ATOM 0 H ASP B 8 14.551 -6.409 1.819 1.00 0.00 H new ATOM 0 HA ASP B 8 12.048 -7.744 1.642 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.065 -7.184 3.821 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.500 -7.849 4.245 1.00 0.00 H new ATOM 672 N LYS B 9 12.082 -4.742 2.878 1.00 0.00 N ATOM 673 CA LYS B 9 11.258 -3.657 3.396 1.00 0.00 C ATOM 674 C LYS B 9 10.313 -3.134 2.318 1.00 0.00 C ATOM 675 O LYS B 9 9.133 -2.893 2.578 1.00 0.00 O ATOM 676 CB LYS B 9 12.140 -2.521 3.923 1.00 0.00 C ATOM 677 CG LYS B 9 11.366 -1.459 4.688 1.00 0.00 C ATOM 678 CD LYS B 9 12.275 -0.335 5.166 1.00 0.00 C ATOM 679 CE LYS B 9 13.312 -0.834 6.160 1.00 0.00 C ATOM 680 NZ LYS B 9 14.159 0.270 6.683 1.00 0.00 N ATOM 0 H LYS B 9 13.025 -4.463 2.607 1.00 0.00 H new ATOM 0 HA LYS B 9 10.659 -4.047 4.219 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.908 -2.939 4.574 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.654 -2.051 3.084 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.584 -1.048 4.050 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.871 -1.916 5.545 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.778 0.115 4.310 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.674 0.447 5.629 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.809 -1.330 6.990 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.945 -1.580 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.852 -0.114 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.659 0.727 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.559 0.970 7.164 1.00 0.00 H new ATOM 694 N VAL B 10 10.832 -2.966 1.106 1.00 0.00 N ATOM 695 CA VAL B 10 10.015 -2.504 -0.009 1.00 0.00 C ATOM 696 C VAL B 10 9.017 -3.587 -0.421 1.00 0.00 C ATOM 697 O VAL B 10 7.886 -3.289 -0.798 1.00 0.00 O ATOM 698 CB VAL B 10 10.880 -2.068 -1.221 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.656 -3.236 -1.807 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.023 -1.407 -2.287 1.00 0.00 C ATOM 0 H VAL B 10 11.809 -3.142 0.872 1.00 0.00 H new ATOM 0 HA VAL B 10 9.465 -1.625 0.328 1.00 0.00 H new ATOM 0 HB VAL B 10 11.605 -1.339 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.249 -2.890 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.317 -3.652 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.959 -4.004 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.651 -1.110 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.265 -2.110 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.537 -0.526 -1.868 1.00 0.00 H new ATOM 710 N GLU B 11 9.430 -4.849 -0.317 1.00 0.00 N ATOM 711 CA GLU B 11 8.533 -5.966 -0.585 1.00 0.00 C ATOM 712 C GLU B 11 7.471 -6.044 0.508 1.00 0.00 C ATOM 713 O GLU B 11 6.321 -6.394 0.251 1.00 0.00 O ATOM 714 CB GLU B 11 9.319 -7.278 -0.663 1.00 0.00 C ATOM 715 CG GLU B 11 8.475 -8.474 -1.073 1.00 0.00 C ATOM 716 CD GLU B 11 9.288 -9.749 -1.185 1.00 0.00 C ATOM 717 OE1 GLU B 11 9.846 -10.003 -2.273 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.365 -10.494 -0.187 1.00 0.00 O ATOM 0 H GLU B 11 10.376 -5.120 -0.050 1.00 0.00 H new ATOM 0 HA GLU B 11 8.043 -5.806 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.136 -7.160 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.770 -7.479 0.309 1.00 0.00 H new ATOM 0 HG2 GLU B 11 7.678 -8.619 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.998 -8.266 -2.031 1.00 0.00 H new ATOM 725 N GLU B 12 7.876 -5.713 1.728 1.00 0.00 N ATOM 726 CA GLU B 12 6.950 -5.618 2.852 1.00 0.00 C ATOM 727 C GLU B 12 5.831 -4.613 2.558 1.00 0.00 C ATOM 728 O GLU B 12 4.653 -4.909 2.764 1.00 0.00 O ATOM 729 CB GLU B 12 7.711 -5.219 4.119 1.00 0.00 C ATOM 730 CG GLU B 12 6.856 -5.191 5.370 1.00 0.00 C ATOM 731 CD GLU B 12 7.657 -4.840 6.607 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.829 -3.634 6.879 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.115 -5.773 7.301 1.00 0.00 O ATOM 0 H GLU B 12 8.846 -5.504 1.966 1.00 0.00 H new ATOM 0 HA GLU B 12 6.490 -6.594 3.006 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.535 -5.917 4.270 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.151 -4.233 3.970 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.053 -4.465 5.242 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.387 -6.165 5.508 1.00 0.00 H new ATOM 740 N LEU B 13 6.196 -3.422 2.089 1.00 0.00 N ATOM 741 CA LEU B 13 5.206 -2.426 1.689 1.00 0.00 C ATOM 742 C LEU B 13 4.460 -2.822 0.421 1.00 0.00 C ATOM 743 O LEU B 13 3.286 -2.490 0.270 1.00 0.00 O ATOM 744 CB LEU B 13 5.854 -1.059 1.530 1.00 0.00 C ATOM 745 CG LEU B 13 5.556 -0.113 2.683 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.625 0.960 2.792 1.00 0.00 C ATOM 747 CD2 LEU B 13 4.188 0.524 2.497 1.00 0.00 C ATOM 0 H LEU B 13 7.165 -3.124 1.977 1.00 0.00 H new ATOM 0 HA LEU B 13 4.466 -2.374 2.488 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.933 -1.184 1.442 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.509 -0.607 0.600 1.00 0.00 H new ATOM 0 HG LEU B 13 5.556 -0.689 3.608 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.390 1.624 3.624 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.594 0.492 2.964 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.659 1.535 1.867 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.985 1.199 3.328 1.00 0.00 H new ATOM 0 HD22 LEU B 13 4.172 1.084 1.562 1.00 0.00 H new ATOM 0 HD23 LEU B 13 3.425 -0.254 2.467 1.00 0.00 H new ATOM 759 N LEU B 14 5.133 -3.512 -0.491 1.00 0.00 N ATOM 760 CA LEU B 14 4.458 -4.107 -1.636 1.00 0.00 C ATOM 761 C LEU B 14 3.347 -5.027 -1.133 1.00 0.00 C ATOM 762 O LEU B 14 2.231 -5.026 -1.658 1.00 0.00 O ATOM 763 CB LEU B 14 5.489 -4.854 -2.514 1.00 0.00 C ATOM 764 CG LEU B 14 4.961 -5.629 -3.732 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.387 -6.978 -3.325 1.00 0.00 C ATOM 766 CD2 LEU B 14 3.926 -4.814 -4.496 1.00 0.00 C ATOM 0 H LEU B 14 6.140 -3.673 -0.460 1.00 0.00 H new ATOM 0 HA LEU B 14 4.000 -3.338 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.217 -4.125 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.026 -5.556 -1.877 1.00 0.00 H new ATOM 0 HG LEU B 14 5.808 -5.810 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.022 -7.500 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.164 -7.574 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.563 -6.827 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU B 14 3.571 -5.388 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.087 -4.584 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.379 -3.886 -4.844 1.00 0.00 H new ATOM 778 N SER B 15 3.660 -5.784 -0.090 1.00 0.00 N ATOM 779 CA SER B 15 2.693 -6.646 0.559 1.00 0.00 C ATOM 780 C SER B 15 1.567 -5.821 1.186 1.00 0.00 C ATOM 781 O SER B 15 0.394 -6.153 1.017 1.00 0.00 O ATOM 782 CB SER B 15 3.387 -7.505 1.620 1.00 0.00 C ATOM 783 OG SER B 15 2.504 -8.465 2.174 1.00 0.00 O ATOM 0 H SER B 15 4.591 -5.815 0.326 1.00 0.00 H new ATOM 0 HA SER B 15 2.252 -7.303 -0.191 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.244 -8.012 1.175 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.772 -6.864 2.413 1.00 0.00 H new ATOM 0 HG SER B 15 2.979 -8.997 2.846 1.00 0.00 H new ATOM 789 N LYS B 16 1.910 -4.741 1.902 1.00 0.00 N ATOM 790 CA LYS B 16 0.880 -3.890 2.498 1.00 0.00 C ATOM 791 C LYS B 16 -0.023 -3.275 1.429 1.00 0.00 C ATOM 792 O LYS B 16 -1.245 -3.280 1.572 1.00 0.00 O ATOM 793 CB LYS B 16 1.489 -2.794 3.374 1.00 0.00 C ATOM 794 CG LYS B 16 2.201 -3.336 4.602 1.00 0.00 C ATOM 795 CD LYS B 16 2.126 -2.372 5.777 1.00 0.00 C ATOM 796 CE LYS B 16 2.804 -1.048 5.475 1.00 0.00 C ATOM 797 NZ LYS B 16 2.749 -0.123 6.636 1.00 0.00 N ATOM 0 H LYS B 16 2.870 -4.444 2.078 1.00 0.00 H new ATOM 0 HA LYS B 16 0.270 -4.531 3.135 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.194 -2.213 2.780 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.701 -2.111 3.691 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.757 -4.290 4.887 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.246 -3.531 4.359 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.082 -2.194 6.033 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.594 -2.828 6.649 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.844 -1.226 5.201 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.323 -0.581 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 3.222 0.770 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 1.756 0.067 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 3.230 -0.558 7.449 1.00 0.00 H new ATOM 811 N ASN B 17 0.580 -2.759 0.362 1.00 0.00 N ATOM 812 CA ASN B 17 -0.170 -2.241 -0.781 1.00 0.00 C ATOM 813 C ASN B 17 -1.126 -3.306 -1.311 1.00 0.00 C ATOM 814 O ASN B 17 -2.302 -3.041 -1.545 1.00 0.00 O ATOM 815 CB ASN B 17 0.801 -1.814 -1.888 1.00 0.00 C ATOM 816 CG ASN B 17 0.105 -1.310 -3.141 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.957 -0.694 -3.084 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.700 -1.583 -4.293 1.00 0.00 N ATOM 0 H ASN B 17 1.593 -2.688 0.264 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.751 -1.376 -0.460 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.455 -1.031 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.436 -2.660 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.277 -1.280 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.581 -2.097 -4.303 1.00 0.00 H new ATOM 825 N TYR B 18 -0.610 -4.517 -1.472 1.00 0.00 N ATOM 826 CA TYR B 18 -1.398 -5.648 -1.944 1.00 0.00 C ATOM 827 C TYR B 18 -2.557 -5.938 -0.992 1.00 0.00 C ATOM 828 O TYR B 18 -3.675 -6.216 -1.427 1.00 0.00 O ATOM 829 CB TYR B 18 -0.500 -6.881 -2.090 1.00 0.00 C ATOM 830 CG TYR B 18 -1.223 -8.126 -2.551 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.748 -8.212 -3.834 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.368 -9.219 -1.708 1.00 0.00 C ATOM 833 CE1 TYR B 18 -2.401 -9.352 -4.262 1.00 0.00 C ATOM 834 CE2 TYR B 18 -2.019 -10.362 -2.128 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.533 -10.424 -3.405 1.00 0.00 C ATOM 836 OH TYR B 18 -3.179 -11.565 -3.828 1.00 0.00 O ATOM 0 H TYR B 18 0.366 -4.743 -1.279 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.819 -5.398 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.296 -6.654 -2.799 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.024 -7.085 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.644 -7.374 -4.508 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.965 -9.175 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.806 -9.403 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.125 -11.203 -1.459 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.185 -12.225 -3.104 1.00 0.00 H new ATOM 846 N HIS B 19 -2.286 -5.857 0.308 1.00 0.00 N ATOM 847 CA HIS B 19 -3.315 -6.079 1.321 1.00 0.00 C ATOM 848 C HIS B 19 -4.440 -5.068 1.166 1.00 0.00 C ATOM 849 O HIS B 19 -5.615 -5.434 1.135 1.00 0.00 O ATOM 850 CB HIS B 19 -2.735 -5.976 2.736 1.00 0.00 C ATOM 851 CG HIS B 19 -1.727 -7.031 3.068 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.768 -6.870 4.043 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.533 -8.267 2.554 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.030 -7.961 4.113 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.472 -8.824 3.221 1.00 0.00 N ATOM 0 H HIS B 19 -1.364 -5.639 0.685 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.706 -7.086 1.175 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.271 -4.997 2.855 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.552 -6.032 3.456 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.107 -8.729 1.765 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.798 -8.120 4.788 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.088 -9.754 3.054 1.00 0.00 H new ATOM 864 N LEU B 20 -4.071 -3.798 1.054 1.00 0.00 N ATOM 865 CA LEU B 20 -5.045 -2.728 0.895 1.00 0.00 C ATOM 866 C LEU B 20 -5.759 -2.842 -0.447 1.00 0.00 C ATOM 867 O LEU B 20 -6.947 -2.535 -0.547 1.00 0.00 O ATOM 868 CB LEU B 20 -4.381 -1.352 1.040 1.00 0.00 C ATOM 869 CG LEU B 20 -4.240 -0.824 2.477 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.605 -0.564 3.092 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.456 -1.788 3.349 1.00 0.00 C ATOM 0 H LEU B 20 -3.101 -3.484 1.071 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.787 -2.830 1.687 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.389 -1.400 0.592 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.957 -0.629 0.463 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.689 0.115 2.425 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.481 -0.191 4.109 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.137 0.177 2.496 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.177 -1.491 3.113 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.376 -1.383 4.358 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.971 -2.748 3.383 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.458 -1.926 2.933 1.00 0.00 H new ATOM 883 N GLU B 21 -5.045 -3.307 -1.470 1.00 0.00 N ATOM 884 CA GLU B 21 -5.659 -3.554 -2.773 1.00 0.00 C ATOM 885 C GLU B 21 -6.780 -4.581 -2.645 1.00 0.00 C ATOM 886 O GLU B 21 -7.844 -4.436 -3.250 1.00 0.00 O ATOM 887 CB GLU B 21 -4.620 -4.036 -3.788 1.00 0.00 C ATOM 888 CG GLU B 21 -3.678 -2.943 -4.264 1.00 0.00 C ATOM 889 CD GLU B 21 -2.610 -3.461 -5.206 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.829 -3.417 -6.435 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.554 -3.907 -4.714 1.00 0.00 O ATOM 0 H GLU B 21 -4.048 -3.519 -1.423 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.077 -2.613 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.034 -4.839 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.136 -4.459 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.254 -2.166 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.201 -2.479 -3.401 1.00 0.00 H new ATOM 898 N ASN B 22 -6.542 -5.604 -1.834 1.00 0.00 N ATOM 899 CA ASN B 22 -7.547 -6.631 -1.575 1.00 0.00 C ATOM 900 C ASN B 22 -8.749 -6.034 -0.855 1.00 0.00 C ATOM 901 O ASN B 22 -9.882 -6.486 -1.024 1.00 0.00 O ATOM 902 CB ASN B 22 -6.965 -7.771 -0.731 1.00 0.00 C ATOM 903 CG ASN B 22 -5.868 -8.536 -1.442 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.858 -8.639 -2.669 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.944 -9.092 -0.672 1.00 0.00 N ATOM 0 H ASN B 22 -5.660 -5.746 -1.342 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.864 -7.031 -2.538 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.570 -7.362 0.199 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.765 -8.461 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.186 -9.630 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.990 -8.982 0.341 1.00 0.00 H new ATOM 912 N GLU B 23 -8.495 -5.002 -0.061 1.00 0.00 N ATOM 913 CA GLU B 23 -9.546 -4.366 0.717 1.00 0.00 C ATOM 914 C GLU B 23 -10.374 -3.443 -0.170 1.00 0.00 C ATOM 915 O GLU B 23 -11.596 -3.404 -0.065 1.00 0.00 O ATOM 916 CB GLU B 23 -8.960 -3.577 1.893 1.00 0.00 C ATOM 917 CG GLU B 23 -7.995 -4.377 2.758 1.00 0.00 C ATOM 918 CD GLU B 23 -8.576 -5.692 3.246 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.291 -5.684 4.269 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.311 -6.730 2.605 1.00 0.00 O ATOM 0 H GLU B 23 -7.570 -4.589 0.060 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.190 -5.149 1.118 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.442 -2.699 1.506 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.777 -3.216 2.517 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.088 -4.578 2.188 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.704 -3.775 3.619 1.00 0.00 H new ATOM 927 N VAL B 24 -9.706 -2.711 -1.055 1.00 0.00 N ATOM 928 CA VAL B 24 -10.405 -1.833 -1.984 1.00 0.00 C ATOM 929 C VAL B 24 -11.308 -2.652 -2.901 1.00 0.00 C ATOM 930 O VAL B 24 -12.449 -2.274 -3.175 1.00 0.00 O ATOM 931 CB VAL B 24 -9.432 -0.981 -2.836 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.193 -0.089 -3.808 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.547 -0.137 -1.942 1.00 0.00 C ATOM 0 H VAL B 24 -8.690 -2.708 -1.148 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.006 -1.147 -1.386 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.807 -1.662 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.485 0.498 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.792 -0.707 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.847 0.582 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.869 0.456 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.166 0.528 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.968 -0.787 -1.286 1.00 0.00 H new ATOM 943 N ALA B 25 -10.804 -3.800 -3.333 1.00 0.00 N ATOM 944 CA ALA B 25 -11.547 -4.674 -4.229 1.00 0.00 C ATOM 945 C ALA B 25 -12.764 -5.280 -3.535 1.00 0.00 C ATOM 946 O ALA B 25 -13.777 -5.560 -4.179 1.00 0.00 O ATOM 947 CB ALA B 25 -10.644 -5.773 -4.763 1.00 0.00 C ATOM 0 H ALA B 25 -9.880 -4.148 -3.076 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.904 -4.070 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.213 -6.419 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.813 -5.327 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.257 -6.362 -3.932 1.00 0.00 H new ATOM 953 N ARG B 26 -12.663 -5.476 -2.222 1.00 0.00 N ATOM 954 CA ARG B 26 -13.749 -6.083 -1.462 1.00 0.00 C ATOM 955 C ARG B 26 -14.902 -5.096 -1.309 1.00 0.00 C ATOM 956 O ARG B 26 -16.067 -5.448 -1.479 1.00 0.00 O ATOM 957 CB ARG B 26 -13.250 -6.565 -0.085 1.00 0.00 C ATOM 958 CG ARG B 26 -13.333 -5.536 1.037 1.00 0.00 C ATOM 959 CD ARG B 26 -12.853 -6.100 2.363 1.00 0.00 C ATOM 960 NE ARG B 26 -13.630 -7.262 2.783 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.818 -7.617 4.053 1.00 0.00 C ATOM 962 NH1 ARG B 26 -13.327 -6.871 5.037 1.00 0.00 N ATOM 963 NH2 ARG B 26 -14.512 -8.710 4.336 1.00 0.00 N ATOM 0 H ARG B 26 -11.845 -5.225 -1.667 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.111 -6.953 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -13.828 -7.442 0.206 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.213 -6.886 -0.185 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.733 -4.665 0.775 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.363 -5.194 1.140 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.803 -6.379 2.278 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.916 -5.327 3.129 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.056 -7.839 2.058 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.804 -6.023 4.821 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -13.474 -7.147 6.008 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.900 -9.277 3.582 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -14.658 -8.984 5.308 1.00 0.00 H new ATOM 977 N LEU B 27 -14.559 -3.858 -1.009 1.00 0.00 N ATOM 978 CA LEU B 27 -15.554 -2.815 -0.800 1.00 0.00 C ATOM 979 C LEU B 27 -16.176 -2.347 -2.104 1.00 0.00 C ATOM 980 O LEU B 27 -17.374 -2.082 -2.155 1.00 0.00 O ATOM 981 CB LEU B 27 -14.931 -1.635 -0.080 1.00 0.00 C ATOM 982 CG LEU B 27 -14.415 -1.930 1.317 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.354 -0.927 1.702 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.560 -1.905 2.315 1.00 0.00 C ATOM 0 H LEU B 27 -13.594 -3.545 -0.903 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.348 -3.244 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.105 -1.257 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.671 -0.837 -0.016 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.970 -2.925 1.326 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.991 -1.148 2.706 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.526 -0.984 0.996 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.778 0.077 1.683 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.177 -2.118 3.313 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.027 -0.920 2.308 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.298 -2.659 2.041 1.00 0.00 H new ATOM 996 N LYS B 28 -15.361 -2.230 -3.146 1.00 0.00 N ATOM 997 CA LYS B 28 -15.838 -1.779 -4.451 1.00 0.00 C ATOM 998 C LYS B 28 -17.075 -2.560 -4.902 1.00 0.00 C ATOM 999 O LYS B 28 -18.037 -1.976 -5.407 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.727 -1.897 -5.498 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.050 -1.199 -6.811 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.314 0.286 -6.600 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.572 1.004 -7.913 1.00 0.00 C ATOM 1004 NZ LYS B 28 -14.385 0.973 -8.806 1.00 0.00 N ATOM 0 H LYS B 28 -14.364 -2.442 -3.114 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.123 -0.732 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.808 -1.477 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.535 -2.952 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.221 -1.328 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.924 -1.664 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.173 0.413 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.459 0.740 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.419 0.541 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.848 2.039 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.511 1.662 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.534 1.216 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.278 0.020 -9.209 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.063 -3.874 -4.708 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.200 -4.695 -5.086 1.00 0.00 C ATOM 1020 C LYS B 29 -19.321 -4.598 -4.053 1.00 0.00 C ATOM 1021 O LYS B 29 -20.492 -4.723 -4.397 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.775 -6.149 -5.288 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.067 -6.766 -4.096 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.699 -8.215 -4.364 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.915 -8.810 -3.209 1.00 0.00 C ATOM 1026 NZ LYS B 29 -15.555 -10.228 -3.455 1.00 0.00 N ATOM 0 H LYS B 29 -16.284 -4.387 -4.295 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.585 -4.315 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.658 -6.744 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.117 -6.205 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.166 -6.195 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.710 -6.708 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.605 -8.798 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.108 -8.279 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.007 -8.228 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.505 -8.739 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.021 -10.596 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.421 -10.789 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.970 -10.294 -4.313 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.967 -4.351 -2.795 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.967 -4.184 -1.740 1.00 0.00 C ATOM 1042 C LEU B 30 -20.786 -2.916 -1.970 1.00 0.00 C ATOM 1043 O LEU B 30 -21.969 -2.857 -1.628 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.306 -4.139 -0.358 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.649 -5.445 0.097 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.004 -5.269 1.463 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.669 -6.573 0.134 1.00 0.00 C ATOM 0 H LEU B 30 -18.001 -4.262 -2.480 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.635 -5.045 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.550 -3.353 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.059 -3.855 0.377 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.872 -5.706 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.542 -6.207 1.771 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.243 -4.490 1.409 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.764 -4.983 2.190 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.183 -7.493 0.460 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.468 -6.319 0.831 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.088 -6.717 -0.862 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.154 -1.902 -2.550 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.850 -0.672 -2.911 1.00 0.00 C ATOM 1061 C VAL B 31 -21.639 -0.897 -4.200 1.00 0.00 C ATOM 1062 O VAL B 31 -22.630 -0.217 -4.473 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.871 0.513 -3.093 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.624 1.814 -3.330 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.959 0.648 -1.885 1.00 0.00 C ATOM 0 H VAL B 31 -19.160 -1.907 -2.780 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.527 -0.415 -2.096 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.259 0.306 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.911 2.629 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.233 1.723 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.268 2.022 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.279 1.487 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.560 0.823 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.382 -0.269 -1.760 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.197 -1.878 -4.977 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.880 -2.224 -6.204 1.00 0.00 C ATOM 1077 C GLY B 32 -23.138 -3.026 -5.946 1.00 0.00 C ATOM 1078 O GLY B 32 -24.222 -2.657 -6.399 1.00 0.00 O ATOM 0 H GLY B 32 -20.372 -2.442 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.135 -1.313 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.209 -2.798 -6.843 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.995 -4.122 -5.215 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.130 -4.953 -4.844 1.00 0.00 C ATOM 1084 C GLU B 33 -23.847 -5.679 -3.531 1.00 0.00 C ATOM 1085 O GLU B 33 -24.524 -5.372 -2.527 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.511 -5.948 -5.962 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.419 -6.930 -6.377 1.00 0.00 C ATOM 1088 CD GLU B 33 -22.348 -6.314 -7.257 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.618 -6.099 -8.455 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -21.238 -6.057 -6.750 1.00 0.00 O ATOM 1091 OXT GLU B 33 -22.925 -6.517 -3.493 1.00 0.00 O ATOM 0 H GLU B 33 -22.098 -4.458 -4.865 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.989 -4.297 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -25.381 -6.518 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -24.815 -5.379 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.951 -7.339 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.876 -7.766 -6.907 1.00 0.00 H new TER 1098 GLU B 33