USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 82:sc= 0.0417 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.9!) USER MOD Single : B 12 THR OG1 : rot 82:sc= 1.26 USER MOD Single : B 13 HIS : no HE2:sc= -2.34 X(o=-2.3,f=-2.2) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : B 24 ASN : amide:sc= -1.13 K(o=-1.1,f=-8.7!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 0.182 25.033 8.393 1.00 0.00 C HETATM 2 O ACE A 2 0.657 24.386 9.326 1.00 0.00 O HETATM 3 CH3 ACE A 2 -0.669 26.273 8.649 1.00 0.00 C HETATM 0 H1 ACE A 2 -0.200 27.139 8.183 1.00 0.00 H new HETATM 0 H2 ACE A 2 -1.662 26.126 8.225 1.00 0.00 H new HETATM 0 H3 ACE A 2 -0.754 26.441 9.723 1.00 0.00 H new ATOM 7 N CYS A 3 0.367 24.710 7.117 1.00 0.00 N ATOM 8 CA CYS A 3 1.163 23.545 6.743 1.00 0.00 C ATOM 9 C CYS A 3 2.603 23.708 7.220 1.00 0.00 C ATOM 10 O CYS A 3 3.182 24.791 7.138 1.00 0.00 O ATOM 11 CB CYS A 3 1.159 23.351 5.223 1.00 0.00 C ATOM 12 SG CYS A 3 1.702 24.875 4.409 1.00 0.00 S ATOM 0 H CYS A 3 -0.019 25.233 6.331 1.00 0.00 H new ATOM 0 HA CYS A 3 0.718 22.671 7.218 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.819 22.527 4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.158 23.083 4.884 1.00 0.00 H new ATOM 17 N GLY A 4 3.176 22.616 7.721 1.00 0.00 N ATOM 18 CA GLY A 4 4.550 22.646 8.211 1.00 0.00 C ATOM 19 C GLY A 4 5.160 21.247 8.195 1.00 0.00 C ATOM 20 O GLY A 4 5.756 20.803 9.175 1.00 0.00 O ATOM 0 H GLY A 4 2.715 21.709 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.147 23.316 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.571 23.046 9.225 1.00 0.00 H new ATOM 24 N GLY A 5 5.003 20.560 7.067 1.00 0.00 N ATOM 25 CA GLY A 5 5.541 19.211 6.927 1.00 0.00 C ATOM 26 C GLY A 5 4.712 18.396 5.940 1.00 0.00 C ATOM 27 O GLY A 5 4.336 17.256 6.213 1.00 0.00 O ATOM 0 H GLY A 5 4.513 20.911 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.575 19.261 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.549 18.716 7.898 1.00 0.00 H new ATOM 31 N VAL A 6 4.430 18.996 4.787 1.00 0.00 N ATOM 32 CA VAL A 6 3.644 18.320 3.760 1.00 0.00 C ATOM 33 C VAL A 6 4.556 17.522 2.833 1.00 0.00 C ATOM 34 O VAL A 6 4.190 16.450 2.351 1.00 0.00 O ATOM 35 CB VAL A 6 2.853 19.336 2.930 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.891 18.599 1.995 1.00 0.00 C ATOM 37 CG2 VAL A 6 2.051 20.246 3.865 1.00 0.00 C ATOM 0 H VAL A 6 4.731 19.939 4.542 1.00 0.00 H new ATOM 0 HA VAL A 6 2.950 17.644 4.259 1.00 0.00 H new ATOM 0 HB VAL A 6 3.546 19.936 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.329 19.324 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.458 17.950 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.199 17.997 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.488 20.969 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.361 19.643 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.733 20.774 4.532 1.00 0.00 H new ATOM 47 N GLN A 7 5.748 18.059 2.590 1.00 0.00 N ATOM 48 CA GLN A 7 6.710 17.390 1.717 1.00 0.00 C ATOM 49 C GLN A 7 7.108 16.039 2.302 1.00 0.00 C ATOM 50 O GLN A 7 7.341 15.075 1.573 1.00 0.00 O ATOM 51 CB GLN A 7 7.965 18.249 1.547 1.00 0.00 C ATOM 52 CG GLN A 7 8.587 17.977 0.176 1.00 0.00 C ATOM 53 CD GLN A 7 7.991 18.933 -0.853 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.904 18.690 -1.377 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.645 20.014 -1.175 1.00 0.00 N ATOM 0 H GLN A 7 6.069 18.945 2.980 1.00 0.00 H new ATOM 0 HA GLN A 7 6.238 17.241 0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.711 19.305 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.683 18.023 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.668 18.105 0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.401 16.945 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.546 20.214 -0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.256 20.660 -1.862 1.00 0.00 H new ATOM 64 N ALA A 8 7.183 15.981 3.629 1.00 0.00 N ATOM 65 CA ALA A 8 7.555 14.742 4.307 1.00 0.00 C ATOM 66 C ALA A 8 6.343 13.826 4.444 1.00 0.00 C ATOM 67 O ALA A 8 6.415 12.630 4.164 1.00 0.00 O ATOM 68 CB ALA A 8 8.114 15.040 5.700 1.00 0.00 C ATOM 0 H ALA A 8 6.994 16.767 4.250 1.00 0.00 H new ATOM 0 HA ALA A 8 8.320 14.247 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.386 14.105 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.997 15.673 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.358 15.554 6.293 1.00 0.00 H new ATOM 74 N GLU A 9 5.227 14.403 4.879 1.00 0.00 N ATOM 75 CA GLU A 9 3.999 13.632 5.052 1.00 0.00 C ATOM 76 C GLU A 9 3.499 13.118 3.706 1.00 0.00 C ATOM 77 O GLU A 9 2.933 12.028 3.611 1.00 0.00 O ATOM 78 CB GLU A 9 2.909 14.493 5.693 1.00 0.00 C ATOM 79 CG GLU A 9 1.716 13.614 6.069 1.00 0.00 C ATOM 80 CD GLU A 9 0.792 14.383 7.008 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.054 15.108 6.511 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.945 14.236 8.209 1.00 0.00 O ATOM 0 H GLU A 9 5.147 15.392 5.116 1.00 0.00 H new ATOM 0 HA GLU A 9 4.222 12.788 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.300 14.992 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.594 15.274 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.174 13.316 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.062 12.700 6.551 1.00 0.00 H new ATOM 89 N GLU A 10 3.713 13.917 2.665 1.00 0.00 N ATOM 90 CA GLU A 10 3.279 13.537 1.322 1.00 0.00 C ATOM 91 C GLU A 10 4.223 12.493 0.734 1.00 0.00 C ATOM 92 O GLU A 10 3.789 11.503 0.147 1.00 0.00 O ATOM 93 CB GLU A 10 3.251 14.759 0.401 1.00 0.00 C ATOM 94 CG GLU A 10 2.581 14.385 -0.923 1.00 0.00 C ATOM 95 CD GLU A 10 2.920 15.434 -1.976 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.641 16.597 -1.736 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.451 15.058 -3.009 1.00 0.00 O ATOM 0 H GLU A 10 4.179 14.822 2.722 1.00 0.00 H new ATOM 0 HA GLU A 10 2.275 13.119 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.708 15.575 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.265 15.114 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.921 13.402 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.501 14.322 -0.792 1.00 0.00 H new ATOM 104 N GLN A 11 5.522 12.729 0.899 1.00 0.00 N ATOM 105 CA GLN A 11 6.526 11.804 0.381 1.00 0.00 C ATOM 106 C GLN A 11 6.384 10.438 1.044 1.00 0.00 C ATOM 107 O GLN A 11 6.621 9.402 0.423 1.00 0.00 O ATOM 108 CB GLN A 11 7.934 12.341 0.640 1.00 0.00 C ATOM 109 CG GLN A 11 8.957 11.474 -0.098 1.00 0.00 C ATOM 110 CD GLN A 11 10.329 11.645 0.544 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.145 12.441 0.077 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.634 10.940 1.600 1.00 0.00 N ATOM 0 H GLN A 11 5.901 13.544 1.382 1.00 0.00 H new ATOM 0 HA GLN A 11 6.369 11.704 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.008 13.375 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.144 12.339 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.655 10.427 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.998 11.758 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.958 10.281 1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.548 11.048 2.039 1.00 0.00 H new ATOM 121 N LYS A 12 5.994 10.447 2.316 1.00 0.00 N ATOM 122 CA LYS A 12 5.823 9.203 3.061 1.00 0.00 C ATOM 123 C LYS A 12 4.629 8.421 2.522 1.00 0.00 C ATOM 124 O LYS A 12 4.657 7.193 2.447 1.00 0.00 O ATOM 125 CB LYS A 12 5.600 9.493 4.546 1.00 0.00 C ATOM 126 CG LYS A 12 6.042 8.285 5.375 1.00 0.00 C ATOM 127 CD LYS A 12 6.423 8.744 6.783 1.00 0.00 C ATOM 128 CE LYS A 12 5.216 8.596 7.712 1.00 0.00 C ATOM 129 NZ LYS A 12 5.687 8.356 9.106 1.00 0.00 N ATOM 0 H LYS A 12 5.792 11.293 2.848 1.00 0.00 H new ATOM 0 HA LYS A 12 6.730 8.611 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.164 10.377 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.548 9.709 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.237 7.551 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.891 7.795 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.258 8.151 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.754 9.782 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.602 9.496 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.589 7.768 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.867 8.255 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.255 7.485 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.268 9.160 9.419 1.00 0.00 H new ATOM 143 N LEU A 13 3.580 9.148 2.150 1.00 0.00 N ATOM 144 CA LEU A 13 2.376 8.515 1.618 1.00 0.00 C ATOM 145 C LEU A 13 2.689 7.784 0.316 1.00 0.00 C ATOM 146 O LEU A 13 2.187 6.689 0.067 1.00 0.00 O ATOM 147 CB LEU A 13 1.290 9.562 1.356 1.00 0.00 C ATOM 148 CG LEU A 13 0.412 9.709 2.600 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.426 10.983 2.486 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.517 8.497 2.712 1.00 0.00 C ATOM 0 H LEU A 13 3.538 10.166 2.206 1.00 0.00 H new ATOM 0 HA LEU A 13 2.017 7.800 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.746 10.520 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.682 9.265 0.502 1.00 0.00 H new ATOM 0 HG LEU A 13 1.044 9.768 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.052 11.088 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.234 11.847 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.059 10.924 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.144 8.600 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.149 8.439 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.079 7.588 2.792 1.00 0.00 H new ATOM 162 N ILE A 14 3.526 8.405 -0.510 1.00 0.00 N ATOM 163 CA ILE A 14 3.903 7.806 -1.788 1.00 0.00 C ATOM 164 C ILE A 14 4.734 6.547 -1.557 1.00 0.00 C ATOM 165 O ILE A 14 4.387 5.461 -2.023 1.00 0.00 O ATOM 166 CB ILE A 14 4.715 8.799 -2.627 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.914 10.092 -2.801 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.009 8.197 -4.005 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.783 11.143 -3.492 1.00 0.00 C ATOM 0 H ILE A 14 3.952 9.312 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 14 2.990 7.546 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 14 5.655 9.013 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.018 9.900 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.583 10.460 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.586 8.907 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.580 7.276 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.070 7.979 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.212 12.063 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.665 11.342 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.092 10.774 -4.470 1.00 0.00 H new ATOM 181 N SER A 15 5.837 6.705 -0.832 1.00 0.00 N ATOM 182 CA SER A 15 6.716 5.576 -0.543 1.00 0.00 C ATOM 183 C SER A 15 5.970 4.496 0.235 1.00 0.00 C ATOM 184 O SER A 15 6.262 3.307 0.111 1.00 0.00 O ATOM 185 CB SER A 15 7.925 6.034 0.273 1.00 0.00 C ATOM 186 OG SER A 15 8.627 7.037 -0.449 1.00 0.00 O ATOM 0 H SER A 15 6.142 7.595 -0.437 1.00 0.00 H new ATOM 0 HA SER A 15 7.054 5.165 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.600 6.424 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.582 5.189 0.476 1.00 0.00 H new ATOM 0 HG SER A 15 8.187 7.903 -0.319 1.00 0.00 H new ATOM 192 N GLU A 16 5.000 4.925 1.042 1.00 0.00 N ATOM 193 CA GLU A 16 4.215 3.987 1.840 1.00 0.00 C ATOM 194 C GLU A 16 3.460 3.016 0.935 1.00 0.00 C ATOM 195 O GLU A 16 3.627 1.799 1.030 1.00 0.00 O ATOM 196 CB GLU A 16 3.207 4.737 2.712 1.00 0.00 C ATOM 197 CG GLU A 16 3.857 5.092 4.052 1.00 0.00 C ATOM 198 CD GLU A 16 3.897 3.854 4.941 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.923 3.616 5.635 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.901 3.164 4.914 1.00 0.00 O ATOM 0 H GLU A 16 4.742 5.905 1.159 1.00 0.00 H new ATOM 0 HA GLU A 16 4.904 3.431 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.875 5.643 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.323 4.121 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.867 5.469 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.295 5.887 4.542 1.00 0.00 H new ATOM 207 N GLU A 17 2.629 3.568 0.056 1.00 0.00 N ATOM 208 CA GLU A 17 1.851 2.742 -0.865 1.00 0.00 C ATOM 209 C GLU A 17 2.776 1.937 -1.775 1.00 0.00 C ATOM 210 O GLU A 17 2.448 0.827 -2.190 1.00 0.00 O ATOM 211 CB GLU A 17 0.931 3.613 -1.727 1.00 0.00 C ATOM 212 CG GLU A 17 1.760 4.669 -2.463 1.00 0.00 C ATOM 213 CD GLU A 17 0.874 5.406 -3.461 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.189 5.853 -3.063 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.270 5.512 -4.610 1.00 0.00 O ATOM 0 H GLU A 17 2.477 4.572 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 17 1.245 2.059 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.395 2.993 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.181 4.097 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.187 5.374 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.594 4.196 -2.981 1.00 0.00 H new ATOM 222 N ASP A 18 3.936 2.513 -2.080 1.00 0.00 N ATOM 223 CA ASP A 18 4.905 1.840 -2.940 1.00 0.00 C ATOM 224 C ASP A 18 5.420 0.573 -2.267 1.00 0.00 C ATOM 225 O ASP A 18 5.692 -0.431 -2.926 1.00 0.00 O ATOM 226 CB ASP A 18 6.088 2.763 -3.239 1.00 0.00 C ATOM 227 CG ASP A 18 6.708 2.376 -4.578 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.215 2.841 -5.594 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.666 1.622 -4.570 1.00 0.00 O ATOM 0 H ASP A 18 4.226 3.433 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 18 4.405 1.580 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.756 3.801 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.832 2.687 -2.446 1.00 0.00 H new ATOM 234 N LEU A 19 5.548 0.631 -0.945 1.00 0.00 N ATOM 235 CA LEU A 19 6.031 -0.519 -0.184 1.00 0.00 C ATOM 236 C LEU A 19 5.016 -1.656 -0.244 1.00 0.00 C ATOM 237 O LEU A 19 5.375 -2.819 -0.423 1.00 0.00 O ATOM 238 CB LEU A 19 6.264 -0.135 1.278 1.00 0.00 C ATOM 239 CG LEU A 19 7.645 0.508 1.424 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.699 1.316 2.721 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.713 -0.587 1.460 1.00 0.00 C ATOM 0 H LEU A 19 5.327 1.452 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 19 6.972 -0.846 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.491 0.558 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.194 -1.018 1.913 1.00 0.00 H new ATOM 0 HG LEU A 19 7.829 1.170 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.683 1.773 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.937 2.095 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.515 0.656 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.698 -0.131 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.528 -1.248 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.675 -1.163 0.535 1.00 0.00 H new ATOM 253 N LEU A 20 3.742 -1.304 -0.092 1.00 0.00 N ATOM 254 CA LEU A 20 2.677 -2.302 -0.129 1.00 0.00 C ATOM 255 C LEU A 20 2.614 -2.958 -1.505 1.00 0.00 C ATOM 256 O LEU A 20 2.293 -4.140 -1.631 1.00 0.00 O ATOM 257 CB LEU A 20 1.326 -1.654 0.178 1.00 0.00 C ATOM 258 CG LEU A 20 1.060 -1.719 1.683 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.029 -0.709 2.053 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.595 -3.126 2.058 1.00 0.00 C ATOM 0 H LEU A 20 3.424 -0.346 0.056 1.00 0.00 H new ATOM 0 HA LEU A 20 2.895 -3.058 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.323 -0.617 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.532 -2.167 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 20 1.976 -1.482 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.219 -0.755 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.300 0.295 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.945 -0.947 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.405 -3.173 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.321 -3.363 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.369 -3.847 1.795 1.00 0.00 H new ATOM 272 N ARG A 21 2.926 -2.176 -2.535 1.00 0.00 N ATOM 273 CA ARG A 21 2.904 -2.689 -3.902 1.00 0.00 C ATOM 274 C ARG A 21 3.929 -3.804 -4.067 1.00 0.00 C ATOM 275 O ARG A 21 3.672 -4.812 -4.725 1.00 0.00 O ATOM 276 CB ARG A 21 3.219 -1.571 -4.898 1.00 0.00 C ATOM 277 CG ARG A 21 2.025 -0.617 -4.991 1.00 0.00 C ATOM 278 CD ARG A 21 2.410 0.606 -5.824 1.00 0.00 C ATOM 279 NE ARG A 21 1.381 1.644 -5.721 1.00 0.00 N ATOM 280 CZ ARG A 21 0.196 1.537 -6.339 1.00 0.00 C ATOM 281 NH1 ARG A 21 -0.099 0.487 -7.068 1.00 0.00 N ATOM 282 NH2 ARG A 21 -0.681 2.495 -6.211 1.00 0.00 N ATOM 0 H ARG A 21 3.194 -1.195 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 21 1.906 -3.080 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.109 -1.027 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.437 -1.994 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.175 -1.126 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.715 -0.307 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.367 1.000 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.539 0.317 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 21 1.572 2.475 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.579 -0.268 -7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.006 0.425 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.462 3.315 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.586 2.424 -6.677 1.00 0.00 H new ATOM 296 N LYS A 22 5.097 -3.613 -3.459 1.00 0.00 N ATOM 297 CA LYS A 22 6.159 -4.611 -3.539 1.00 0.00 C ATOM 298 C LYS A 22 5.709 -5.919 -2.896 1.00 0.00 C ATOM 299 O LYS A 22 6.010 -7.007 -3.388 1.00 0.00 O ATOM 300 CB LYS A 22 7.419 -4.114 -2.829 1.00 0.00 C ATOM 301 CG LYS A 22 8.240 -3.251 -3.789 1.00 0.00 C ATOM 302 CD LYS A 22 9.671 -3.120 -3.261 1.00 0.00 C ATOM 303 CE LYS A 22 9.788 -1.851 -2.413 1.00 0.00 C ATOM 304 NZ LYS A 22 11.212 -1.417 -2.366 1.00 0.00 N ATOM 0 H LYS A 22 5.331 -2.785 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 22 6.382 -4.780 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.147 -3.536 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.013 -4.961 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.247 -3.700 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.786 -2.265 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.931 -3.994 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.375 -3.081 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.169 -1.060 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.420 -2.039 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.293 -0.555 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.791 -2.171 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.547 -1.222 -3.331 1.00 0.00 H new ATOM 318 N ARG A 23 4.984 -5.799 -1.788 1.00 0.00 N ATOM 319 CA ARG A 23 4.492 -6.977 -1.079 1.00 0.00 C ATOM 320 C ARG A 23 3.470 -7.722 -1.930 1.00 0.00 C ATOM 321 O ARG A 23 3.364 -8.947 -1.870 1.00 0.00 O ATOM 322 CB ARG A 23 3.838 -6.570 0.244 1.00 0.00 C ATOM 323 CG ARG A 23 3.552 -7.822 1.077 1.00 0.00 C ATOM 324 CD ARG A 23 4.720 -8.079 2.030 1.00 0.00 C ATOM 325 NE ARG A 23 4.305 -8.953 3.130 1.00 0.00 N ATOM 326 CZ ARG A 23 5.110 -9.221 4.170 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.316 -8.710 4.248 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.686 -10.008 5.121 1.00 0.00 N ATOM 0 H ARG A 23 4.726 -4.908 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 23 5.342 -7.629 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.494 -5.896 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.912 -6.028 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.629 -7.692 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.407 -8.682 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.546 -8.537 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.086 -7.133 2.428 1.00 0.00 H new ATOM 0 HE ARG A 23 3.375 -9.371 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.658 -8.096 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.911 -8.927 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.751 -10.413 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.290 -10.218 5.916 1.00 0.00 H new ATOM 342 N ARG A 24 2.715 -6.967 -2.725 1.00 0.00 N ATOM 343 CA ARG A 24 1.700 -7.563 -3.589 1.00 0.00 C ATOM 344 C ARG A 24 2.346 -8.511 -4.594 1.00 0.00 C ATOM 345 O ARG A 24 1.859 -9.617 -4.830 1.00 0.00 O ATOM 346 CB ARG A 24 0.937 -6.475 -4.348 1.00 0.00 C ATOM 347 CG ARG A 24 -0.475 -6.972 -4.669 1.00 0.00 C ATOM 348 CD ARG A 24 -1.451 -5.794 -4.629 1.00 0.00 C ATOM 349 NE ARG A 24 -2.570 -6.018 -5.547 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.451 -5.842 -6.870 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.318 -5.456 -7.408 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.483 -6.057 -7.639 1.00 0.00 N ATOM 0 H ARG A 24 2.786 -5.951 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 24 1.006 -8.120 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.887 -5.566 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.463 -6.222 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.493 -7.440 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.777 -7.733 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.827 -5.661 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.931 -4.875 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.468 -6.317 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.505 -5.284 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.250 -5.328 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.369 -6.356 -7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.404 -5.926 -8.647 1.00 0.00 H new ATOM 366 N GLU A 25 3.452 -8.065 -5.183 1.00 0.00 N ATOM 367 CA GLU A 25 4.163 -8.880 -6.163 1.00 0.00 C ATOM 368 C GLU A 25 4.848 -10.057 -5.478 1.00 0.00 C ATOM 369 O GLU A 25 4.823 -11.184 -5.974 1.00 0.00 O ATOM 370 CB GLU A 25 5.220 -8.044 -6.891 1.00 0.00 C ATOM 371 CG GLU A 25 5.464 -8.630 -8.283 1.00 0.00 C ATOM 372 CD GLU A 25 4.440 -8.063 -9.260 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.377 -6.852 -9.386 1.00 0.00 O ATOM 374 OE2 GLU A 25 3.732 -8.851 -9.869 1.00 0.00 O ATOM 0 H GLU A 25 3.872 -7.153 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 25 3.434 -9.251 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.887 -7.009 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.149 -8.036 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.473 -8.391 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.388 -9.717 -8.250 1.00 0.00 H new ATOM 381 N GLN A 26 5.459 -9.784 -4.328 1.00 0.00 N ATOM 382 CA GLN A 26 6.149 -10.827 -3.575 1.00 0.00 C ATOM 383 C GLN A 26 5.156 -11.879 -3.094 1.00 0.00 C ATOM 384 O GLN A 26 5.468 -13.069 -3.032 1.00 0.00 O ATOM 385 CB GLN A 26 6.868 -10.229 -2.365 1.00 0.00 C ATOM 386 CG GLN A 26 8.265 -9.761 -2.780 1.00 0.00 C ATOM 387 CD GLN A 26 9.154 -9.661 -1.547 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.667 -9.446 -0.437 1.00 0.00 O ATOM 389 NE2 GLN A 26 10.446 -9.805 -1.675 1.00 0.00 N ATOM 0 H GLN A 26 5.491 -8.858 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 26 6.880 -11.292 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.296 -9.391 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.943 -10.971 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.696 -10.460 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.203 -8.793 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.851 -9.983 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.050 -9.739 -0.856 1.00 0.00 H new ATOM 398 N LEU A 27 3.952 -11.427 -2.751 1.00 0.00 N ATOM 399 CA LEU A 27 2.913 -12.335 -2.274 1.00 0.00 C ATOM 400 C LEU A 27 2.547 -13.340 -3.362 1.00 0.00 C ATOM 401 O LEU A 27 2.369 -14.528 -3.095 1.00 0.00 O ATOM 402 CB LEU A 27 1.660 -11.554 -1.875 1.00 0.00 C ATOM 403 CG LEU A 27 1.836 -10.993 -0.463 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.808 -9.887 -0.220 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.628 -12.114 0.559 1.00 0.00 C ATOM 0 H LEU A 27 3.674 -10.447 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 27 3.301 -12.864 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.484 -10.742 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.786 -12.204 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 27 2.841 -10.584 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.934 -9.488 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.953 -9.089 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.197 -10.295 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.753 -11.716 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.623 -12.522 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.360 -12.903 0.387 1.00 0.00 H new ATOM 417 N LYS A 28 2.437 -12.847 -4.593 1.00 0.00 N ATOM 418 CA LYS A 28 2.091 -13.709 -5.720 1.00 0.00 C ATOM 419 C LYS A 28 3.168 -14.769 -5.928 1.00 0.00 C ATOM 420 O LYS A 28 2.882 -15.896 -6.333 1.00 0.00 O ATOM 421 CB LYS A 28 1.947 -12.886 -6.999 1.00 0.00 C ATOM 422 CG LYS A 28 0.501 -12.410 -7.141 1.00 0.00 C ATOM 423 CD LYS A 28 0.196 -12.132 -8.614 1.00 0.00 C ATOM 424 CE LYS A 28 -1.297 -12.335 -8.874 1.00 0.00 C ATOM 425 NZ LYS A 28 -1.692 -11.598 -10.109 1.00 0.00 N ATOM 0 H LYS A 28 2.581 -11.866 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 28 1.142 -14.195 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.621 -12.030 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.230 -13.486 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.181 -13.167 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.345 -11.508 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.485 -11.113 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.780 -12.798 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.516 -13.397 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.877 -11.977 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.708 -11.736 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.497 -10.584 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.147 -11.959 -10.918 1.00 0.00 H new ATOM 439 N HIS A 29 4.412 -14.392 -5.647 1.00 0.00 N ATOM 440 CA HIS A 29 5.532 -15.316 -5.806 1.00 0.00 C ATOM 441 C HIS A 29 5.439 -16.445 -4.784 1.00 0.00 C ATOM 442 O HIS A 29 5.774 -17.595 -5.075 1.00 0.00 O ATOM 443 CB HIS A 29 6.862 -14.584 -5.620 1.00 0.00 C ATOM 444 CG HIS A 29 7.015 -13.539 -6.691 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.538 -13.726 -7.979 1.00 0.00 N ATOM 446 CD2 HIS A 29 7.586 -12.291 -6.680 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.830 -12.619 -8.683 1.00 0.00 C ATOM 448 NE2 HIS A 29 7.470 -11.711 -7.940 1.00 0.00 N ATOM 0 H HIS A 29 4.669 -13.464 -5.312 1.00 0.00 H new ATOM 0 HA HIS A 29 5.485 -15.731 -6.813 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.898 -14.118 -4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.689 -15.293 -5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.054 -11.829 -5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.578 -12.480 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.802 -10.792 -8.233 1.00 0.00 H new ATOM 456 N LYS A 30 4.981 -16.104 -3.583 1.00 0.00 N ATOM 457 CA LYS A 30 4.846 -17.096 -2.521 1.00 0.00 C ATOM 458 C LYS A 30 3.843 -18.172 -2.922 1.00 0.00 C ATOM 459 O LYS A 30 4.090 -19.366 -2.750 1.00 0.00 O ATOM 460 CB LYS A 30 4.374 -16.432 -1.226 1.00 0.00 C ATOM 461 CG LYS A 30 5.579 -15.863 -0.474 1.00 0.00 C ATOM 462 CD LYS A 30 5.094 -14.910 0.622 1.00 0.00 C ATOM 463 CE LYS A 30 6.169 -13.857 0.895 1.00 0.00 C ATOM 464 NZ LYS A 30 5.841 -13.126 2.151 1.00 0.00 N ATOM 0 H LYS A 30 4.700 -15.159 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 30 5.823 -17.552 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.664 -15.636 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.852 -17.158 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.162 -16.672 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.236 -15.335 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.167 -14.427 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.876 -15.467 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.145 -14.333 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.229 -13.159 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.572 -12.410 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.917 -12.660 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.805 -13.798 2.944 1.00 0.00 H new ATOM 478 N LEU A 31 2.709 -17.736 -3.461 1.00 0.00 N ATOM 479 CA LEU A 31 1.670 -18.670 -3.886 1.00 0.00 C ATOM 480 C LEU A 31 2.184 -19.559 -5.014 1.00 0.00 C ATOM 481 O LEU A 31 1.991 -20.774 -5.003 1.00 0.00 O ATOM 482 CB LEU A 31 0.433 -17.912 -4.373 1.00 0.00 C ATOM 483 CG LEU A 31 -0.819 -18.746 -4.097 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.039 -17.828 -4.019 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.015 -19.758 -5.230 1.00 0.00 C ATOM 0 H LEU A 31 2.486 -16.752 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 31 1.402 -19.287 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.361 -16.950 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.517 -17.705 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.702 -19.274 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.930 -18.424 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.900 -17.106 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.157 -17.299 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.907 -20.354 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.132 -19.228 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.146 -20.414 -5.287 1.00 0.00 H new ATOM 497 N GLU A 32 2.843 -18.936 -5.988 1.00 0.00 N ATOM 498 CA GLU A 32 3.384 -19.677 -7.123 1.00 0.00 C ATOM 499 C GLU A 32 4.464 -20.647 -6.658 1.00 0.00 C ATOM 500 O GLU A 32 4.415 -21.842 -6.951 1.00 0.00 O ATOM 501 CB GLU A 32 3.984 -18.717 -8.152 1.00 0.00 C ATOM 502 CG GLU A 32 3.971 -19.377 -9.533 1.00 0.00 C ATOM 503 CD GLU A 32 5.143 -20.344 -9.647 1.00 0.00 C ATOM 504 OE1 GLU A 32 6.272 -19.883 -9.616 1.00 0.00 O ATOM 505 OE2 GLU A 32 4.896 -21.533 -9.761 1.00 0.00 O ATOM 0 H GLU A 32 3.014 -17.931 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 32 2.568 -20.235 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.413 -17.789 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.004 -18.457 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.032 -19.909 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.036 -18.617 -10.311 1.00 0.00 H new ATOM 512 N GLN A 33 5.442 -20.117 -5.928 1.00 0.00 N ATOM 513 CA GLN A 33 6.535 -20.945 -5.422 1.00 0.00 C ATOM 514 C GLN A 33 6.021 -21.925 -4.374 1.00 0.00 C ATOM 515 O GLN A 33 5.963 -23.132 -4.606 1.00 0.00 O ATOM 516 CB GLN A 33 7.623 -20.070 -4.795 1.00 0.00 C ATOM 517 CG GLN A 33 8.603 -19.617 -5.880 1.00 0.00 C ATOM 518 CD GLN A 33 9.837 -19.004 -5.226 1.00 0.00 C ATOM 519 OE1 GLN A 33 10.663 -19.717 -4.657 1.00 0.00 O ATOM 520 NE2 GLN A 33 10.012 -17.712 -5.275 1.00 0.00 N ATOM 0 H GLN A 33 5.501 -19.131 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 33 6.954 -21.499 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.173 -19.203 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.152 -20.627 -4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.891 -20.465 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.126 -18.888 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.327 -17.122 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.834 -17.292 -4.841 1.00 0.00 H new ATOM 529 N LEU A 34 5.646 -21.390 -3.216 1.00 0.00 N ATOM 530 CA LEU A 34 5.135 -22.223 -2.132 1.00 0.00 C ATOM 531 C LEU A 34 3.668 -22.566 -2.369 1.00 0.00 C ATOM 532 O LEU A 34 2.790 -21.714 -2.236 1.00 0.00 O ATOM 533 CB LEU A 34 5.266 -21.499 -0.789 1.00 0.00 C ATOM 534 CG LEU A 34 6.628 -21.814 -0.170 1.00 0.00 C ATOM 535 CD1 LEU A 34 7.037 -20.677 0.768 1.00 0.00 C ATOM 536 CD2 LEU A 34 6.536 -23.120 0.623 1.00 0.00 C ATOM 0 H LEU A 34 5.685 -20.393 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 34 5.724 -23.140 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.160 -20.424 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.468 -21.812 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 34 7.372 -21.919 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.008 -20.901 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.101 -19.746 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.294 -20.573 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.506 -23.346 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.793 -23.014 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.243 -23.931 -0.044 1.00 0.00 H new HETATM 548 N NH2 A 35 3.346 -23.782 -2.718 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 2.701 22.197 -0.054 1.00 0.00 C HETATM 553 O ACE B 2 2.470 21.541 0.962 1.00 0.00 O HETATM 554 CH3 ACE B 2 3.789 21.772 -1.034 1.00 0.00 C HETATM 0 H1 ACE B 2 3.346 21.590 -2.013 1.00 0.00 H new HETATM 0 H2 ACE B 2 4.535 22.563 -1.115 1.00 0.00 H new HETATM 0 H3 ACE B 2 4.265 20.859 -0.676 1.00 0.00 H new ATOM 558 N CYS B 3 2.036 23.304 -0.370 1.00 0.00 N ATOM 559 CA CYS B 3 0.971 23.814 0.490 1.00 0.00 C ATOM 560 C CYS B 3 -0.179 24.356 -0.353 1.00 0.00 C ATOM 561 O CYS B 3 -0.080 25.427 -0.950 1.00 0.00 O ATOM 562 CB CYS B 3 1.498 24.932 1.392 1.00 0.00 C ATOM 563 SG CYS B 3 0.436 25.083 2.850 1.00 0.00 S ATOM 0 H CYS B 3 2.212 23.861 -1.206 1.00 0.00 H new ATOM 0 HA CYS B 3 0.614 22.990 1.107 1.00 0.00 H new ATOM 0 HB2 CYS B 3 2.522 24.716 1.696 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.520 25.875 0.846 1.00 0.00 H new ATOM 568 N GLY B 4 -1.275 23.602 -0.392 1.00 0.00 N ATOM 569 CA GLY B 4 -2.444 24.014 -1.164 1.00 0.00 C ATOM 570 C GLY B 4 -3.520 22.932 -1.133 1.00 0.00 C ATOM 571 O GLY B 4 -4.394 22.931 -0.267 1.00 0.00 O ATOM 0 H GLY B 4 -1.378 22.712 0.096 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -2.844 24.943 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -2.153 24.215 -2.195 1.00 0.00 H new ATOM 575 N GLY B 5 -3.443 22.013 -2.091 1.00 0.00 N ATOM 576 CA GLY B 5 -4.415 20.925 -2.168 1.00 0.00 C ATOM 577 C GLY B 5 -3.836 19.641 -1.586 1.00 0.00 C ATOM 578 O GLY B 5 -4.115 18.542 -2.066 1.00 0.00 O ATOM 0 H GLY B 5 -2.727 21.998 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.320 21.200 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -4.703 20.761 -3.206 1.00 0.00 H new ATOM 582 N MET B 6 -3.022 19.792 -0.545 1.00 0.00 N ATOM 583 CA MET B 6 -2.403 18.638 0.101 1.00 0.00 C ATOM 584 C MET B 6 -3.467 17.718 0.695 1.00 0.00 C ATOM 585 O MET B 6 -3.277 16.505 0.783 1.00 0.00 O ATOM 586 CB MET B 6 -1.453 19.087 1.214 1.00 0.00 C ATOM 587 CG MET B 6 -2.185 20.039 2.164 1.00 0.00 C ATOM 588 SD MET B 6 -1.226 20.225 3.687 1.00 0.00 S ATOM 589 CE MET B 6 -2.222 19.122 4.719 1.00 0.00 C ATOM 0 H MET B 6 -2.777 20.693 -0.134 1.00 0.00 H new ATOM 0 HA MET B 6 -1.839 18.096 -0.658 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.086 18.220 1.764 1.00 0.00 H new ATOM 0 HB3 MET B 6 -0.583 19.584 0.784 1.00 0.00 H new ATOM 0 HG2 MET B 6 -2.324 21.010 1.688 1.00 0.00 H new ATOM 0 HG3 MET B 6 -3.178 19.651 2.392 1.00 0.00 H new ATOM 0 HE1 MET B 6 -1.802 19.086 5.724 1.00 0.00 H new ATOM 0 HE2 MET B 6 -3.245 19.494 4.767 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.220 18.121 4.289 1.00 0.00 H new ATOM 599 N ARG B 7 -4.589 18.307 1.102 1.00 0.00 N ATOM 600 CA ARG B 7 -5.678 17.528 1.689 1.00 0.00 C ATOM 601 C ARG B 7 -6.208 16.510 0.684 1.00 0.00 C ATOM 602 O ARG B 7 -6.516 15.371 1.039 1.00 0.00 O ATOM 603 CB ARG B 7 -6.824 18.448 2.116 1.00 0.00 C ATOM 604 CG ARG B 7 -7.693 17.732 3.153 1.00 0.00 C ATOM 605 CD ARG B 7 -8.706 18.718 3.738 1.00 0.00 C ATOM 606 NE ARG B 7 -9.728 18.010 4.512 1.00 0.00 N ATOM 607 CZ ARG B 7 -10.655 17.238 3.928 1.00 0.00 C ATOM 608 NH1 ARG B 7 -10.689 17.079 2.627 1.00 0.00 N ATOM 609 NH2 ARG B 7 -11.542 16.630 4.669 1.00 0.00 N ATOM 0 H ARG B 7 -4.768 19.309 1.038 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.285 17.007 2.562 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.426 19.372 2.535 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.425 18.724 1.250 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -8.212 16.892 2.691 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.068 17.323 3.947 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.194 19.438 4.376 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -9.178 19.283 2.934 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.735 18.107 5.527 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -10.001 17.548 2.038 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.404 16.487 2.204 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -11.525 16.745 5.682 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -12.252 16.040 4.234 1.00 0.00 H new ATOM 623 N ARG B 8 -6.308 16.931 -0.572 1.00 0.00 N ATOM 624 CA ARG B 8 -6.800 16.047 -1.624 1.00 0.00 C ATOM 625 C ARG B 8 -5.765 14.976 -1.948 1.00 0.00 C ATOM 626 O ARG B 8 -6.093 13.798 -2.097 1.00 0.00 O ATOM 627 CB ARG B 8 -7.107 16.843 -2.894 1.00 0.00 C ATOM 628 CG ARG B 8 -8.552 17.342 -2.848 1.00 0.00 C ATOM 629 CD ARG B 8 -9.083 17.503 -4.273 1.00 0.00 C ATOM 630 NE ARG B 8 -8.190 18.354 -5.064 1.00 0.00 N ATOM 631 CZ ARG B 8 -8.133 19.683 -4.889 1.00 0.00 C ATOM 632 NH1 ARG B 8 -8.880 20.285 -3.993 1.00 0.00 N ATOM 633 NH2 ARG B 8 -7.317 20.390 -5.622 1.00 0.00 N ATOM 0 H ARG B 8 -6.058 17.869 -0.885 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.713 15.573 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.423 17.687 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.955 16.217 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.173 16.638 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.602 18.294 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.174 16.525 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -10.082 17.939 -4.247 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.593 17.923 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.519 19.741 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.821 21.297 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.731 19.932 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.266 21.401 -5.497 1.00 0.00 H new ATOM 647 N LYS B 9 -4.508 15.398 -2.055 1.00 0.00 N ATOM 648 CA LYS B 9 -3.425 14.468 -2.361 1.00 0.00 C ATOM 649 C LYS B 9 -3.272 13.443 -1.241 1.00 0.00 C ATOM 650 O LYS B 9 -3.185 12.241 -1.489 1.00 0.00 O ATOM 651 CB LYS B 9 -2.104 15.221 -2.531 1.00 0.00 C ATOM 652 CG LYS B 9 -2.219 16.191 -3.709 1.00 0.00 C ATOM 653 CD LYS B 9 -1.047 17.174 -3.677 1.00 0.00 C ATOM 654 CE LYS B 9 0.141 16.580 -4.439 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.001 16.886 -5.890 1.00 0.00 N ATOM 0 H LYS B 9 -4.216 16.368 -1.936 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.673 13.957 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.864 15.767 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.291 14.516 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.219 15.640 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -3.163 16.733 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.342 18.123 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.763 17.384 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.075 16.993 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.184 15.502 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.805 16.484 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.885 16.472 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.022 17.917 -6.027 1.00 0.00 H new ATOM 669 N ASN B 10 -3.238 13.936 -0.006 1.00 0.00 N ATOM 670 CA ASN B 10 -3.094 13.055 1.150 1.00 0.00 C ATOM 671 C ASN B 10 -4.281 12.102 1.245 1.00 0.00 C ATOM 672 O ASN B 10 -4.144 10.956 1.674 1.00 0.00 O ATOM 673 CB ASN B 10 -3.011 13.876 2.440 1.00 0.00 C ATOM 674 CG ASN B 10 -1.578 14.354 2.648 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.742 13.620 3.177 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.242 15.553 2.260 1.00 0.00 N ATOM 0 H ASN B 10 -3.307 14.928 0.219 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.176 12.481 1.024 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.686 14.730 2.384 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.331 13.272 3.289 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.286 15.883 2.394 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.935 16.160 1.822 1.00 0.00 H new ATOM 683 N ASP B 11 -5.451 12.590 0.839 1.00 0.00 N ATOM 684 CA ASP B 11 -6.661 11.774 0.880 1.00 0.00 C ATOM 685 C ASP B 11 -6.597 10.672 -0.172 1.00 0.00 C ATOM 686 O ASP B 11 -6.999 9.534 0.074 1.00 0.00 O ATOM 687 CB ASP B 11 -7.898 12.638 0.623 1.00 0.00 C ATOM 688 CG ASP B 11 -9.153 11.847 0.974 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.378 10.823 0.349 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.870 12.275 1.862 1.00 0.00 O ATOM 0 H ASP B 11 -5.586 13.536 0.482 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.731 11.326 1.871 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.850 13.548 1.221 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.929 12.945 -0.422 1.00 0.00 H new ATOM 695 N THR B 12 -6.088 11.023 -1.349 1.00 0.00 N ATOM 696 CA THR B 12 -5.973 10.056 -2.438 1.00 0.00 C ATOM 697 C THR B 12 -5.027 8.925 -2.048 1.00 0.00 C ATOM 698 O THR B 12 -5.240 7.767 -2.405 1.00 0.00 O ATOM 699 CB THR B 12 -5.445 10.734 -3.703 1.00 0.00 C ATOM 700 OG1 THR B 12 -6.174 11.931 -3.938 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.610 9.792 -4.897 1.00 0.00 C ATOM 0 H THR B 12 -5.751 11.959 -1.573 1.00 0.00 H new ATOM 0 HA THR B 12 -6.965 9.649 -2.633 1.00 0.00 H new ATOM 0 HB THR B 12 -4.389 10.971 -3.573 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.813 12.649 -3.377 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.233 10.277 -5.798 1.00 0.00 H new ATOM 0 HG22 THR B 12 -5.049 8.875 -4.717 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.665 9.552 -5.028 1.00 0.00 H new ATOM 709 N HIS B 13 -3.977 9.277 -1.310 1.00 0.00 N ATOM 710 CA HIS B 13 -3.000 8.283 -0.873 1.00 0.00 C ATOM 711 C HIS B 13 -3.622 7.333 0.144 1.00 0.00 C ATOM 712 O HIS B 13 -3.279 6.153 0.204 1.00 0.00 O ATOM 713 CB HIS B 13 -1.788 8.968 -0.238 1.00 0.00 C ATOM 714 CG HIS B 13 -0.977 9.647 -1.307 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.330 8.935 -2.307 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.697 10.969 -1.548 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.300 9.826 -3.094 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.109 11.080 -2.677 1.00 0.00 N ATOM 0 H HIS B 13 -3.782 10.231 -1.005 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.681 7.718 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.116 9.697 0.503 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.176 8.234 0.287 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.332 7.922 -2.424 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -1.049 11.798 -0.952 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.889 9.559 -3.959 1.00 0.00 H new ATOM 726 N GLN B 14 -4.545 7.863 0.943 1.00 0.00 N ATOM 727 CA GLN B 14 -5.214 7.055 1.958 1.00 0.00 C ATOM 728 C GLN B 14 -6.028 5.943 1.303 1.00 0.00 C ATOM 729 O GLN B 14 -6.002 4.793 1.741 1.00 0.00 O ATOM 730 CB GLN B 14 -6.148 7.924 2.804 1.00 0.00 C ATOM 731 CG GLN B 14 -5.320 8.759 3.783 1.00 0.00 C ATOM 732 CD GLN B 14 -6.105 8.955 5.075 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.296 8.012 5.843 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.576 10.138 5.364 1.00 0.00 N ATOM 0 H GLN B 14 -4.844 8.838 0.908 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.448 6.616 2.597 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.737 8.577 2.160 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.852 7.296 3.350 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.373 8.261 3.992 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.080 9.726 3.340 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.418 10.919 4.728 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.102 10.281 6.226 1.00 0.00 H new ATOM 743 N GLN B 15 -6.752 6.300 0.246 1.00 0.00 N ATOM 744 CA GLN B 15 -7.572 5.324 -0.468 1.00 0.00 C ATOM 745 C GLN B 15 -6.695 4.228 -1.065 1.00 0.00 C ATOM 746 O GLN B 15 -6.988 3.039 -0.937 1.00 0.00 O ATOM 747 CB GLN B 15 -8.360 6.001 -1.591 1.00 0.00 C ATOM 748 CG GLN B 15 -9.150 7.181 -1.022 1.00 0.00 C ATOM 749 CD GLN B 15 -10.316 7.506 -1.948 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.235 7.293 -3.158 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.410 8.013 -1.447 1.00 0.00 N ATOM 0 H GLN B 15 -6.789 7.246 -0.132 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.268 4.884 0.246 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.680 6.347 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -9.039 5.286 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.520 6.938 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.501 8.051 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.478 8.190 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.197 8.232 -2.058 1.00 0.00 H new ATOM 760 N ASP B 16 -5.612 4.642 -1.716 1.00 0.00 N ATOM 761 CA ASP B 16 -4.691 3.686 -2.330 1.00 0.00 C ATOM 762 C ASP B 16 -4.084 2.782 -1.263 1.00 0.00 C ATOM 763 O ASP B 16 -3.914 1.581 -1.466 1.00 0.00 O ATOM 764 CB ASP B 16 -3.569 4.419 -3.065 1.00 0.00 C ATOM 765 CG ASP B 16 -3.074 3.561 -4.225 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.008 2.355 -4.058 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.770 4.124 -5.264 1.00 0.00 O ATOM 0 H ASP B 16 -5.351 5.621 -1.832 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.252 3.083 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.929 5.378 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.748 4.631 -2.379 1.00 0.00 H new ATOM 772 N ILE B 17 -3.761 3.378 -0.119 1.00 0.00 N ATOM 773 CA ILE B 17 -3.176 2.627 0.989 1.00 0.00 C ATOM 774 C ILE B 17 -4.154 1.552 1.465 1.00 0.00 C ATOM 775 O ILE B 17 -3.956 0.360 1.239 1.00 0.00 O ATOM 776 CB ILE B 17 -2.832 3.587 2.157 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.501 4.298 1.861 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.725 2.833 3.501 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.361 3.277 1.752 1.00 0.00 C ATOM 0 H ILE B 17 -3.893 4.372 0.065 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.260 2.145 0.646 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.638 4.316 2.243 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.582 4.863 0.932 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.281 5.015 2.652 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.483 3.539 4.296 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.676 2.349 3.723 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.941 2.079 3.434 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.574 3.797 1.542 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -0.270 2.731 2.691 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.576 2.577 0.945 1.00 0.00 H new ATOM 791 N ASP B 18 -5.194 2.003 2.163 1.00 0.00 N ATOM 792 CA ASP B 18 -6.196 1.098 2.721 1.00 0.00 C ATOM 793 C ASP B 18 -6.655 0.057 1.691 1.00 0.00 C ATOM 794 O ASP B 18 -7.036 -1.058 2.046 1.00 0.00 O ATOM 795 CB ASP B 18 -7.415 1.895 3.205 1.00 0.00 C ATOM 796 CG ASP B 18 -7.290 2.166 4.702 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.984 1.234 5.428 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.503 3.299 5.099 1.00 0.00 O ATOM 0 H ASP B 18 -5.365 2.990 2.356 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.733 0.575 3.558 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.486 2.836 2.660 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.330 1.339 3.001 1.00 0.00 H new ATOM 803 N ASP B 19 -6.607 0.437 0.418 1.00 0.00 N ATOM 804 CA ASP B 19 -7.015 -0.469 -0.653 1.00 0.00 C ATOM 805 C ASP B 19 -5.956 -1.547 -0.865 1.00 0.00 C ATOM 806 O ASP B 19 -6.272 -2.703 -1.145 1.00 0.00 O ATOM 807 CB ASP B 19 -7.213 0.300 -1.960 1.00 0.00 C ATOM 808 CG ASP B 19 -7.847 -0.617 -2.999 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.107 -1.274 -3.713 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.065 -0.651 -3.066 1.00 0.00 O ATOM 0 H ASP B 19 -6.294 1.355 0.104 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.957 -0.934 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.849 1.169 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.255 0.672 -2.324 1.00 0.00 H new ATOM 815 N LEU B 20 -4.692 -1.152 -0.727 1.00 0.00 N ATOM 816 CA LEU B 20 -3.585 -2.087 -0.903 1.00 0.00 C ATOM 817 C LEU B 20 -3.554 -3.097 0.240 1.00 0.00 C ATOM 818 O LEU B 20 -3.479 -4.305 0.018 1.00 0.00 O ATOM 819 CB LEU B 20 -2.251 -1.336 -0.936 1.00 0.00 C ATOM 820 CG LEU B 20 -2.095 -0.629 -2.284 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.004 0.437 -2.176 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.706 -1.652 -3.353 1.00 0.00 C ATOM 0 H LEU B 20 -4.411 -0.199 -0.496 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.733 -2.610 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.211 -0.608 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.426 -2.032 -0.781 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.038 -0.157 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.892 0.941 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.281 1.165 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.060 -0.035 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.595 -1.150 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.763 -2.124 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.483 -2.412 -3.429 1.00 0.00 H new ATOM 834 N LYS B 21 -3.612 -2.585 1.467 1.00 0.00 N ATOM 835 CA LYS B 21 -3.587 -3.447 2.646 1.00 0.00 C ATOM 836 C LYS B 21 -4.788 -4.389 2.646 1.00 0.00 C ATOM 837 O LYS B 21 -4.689 -5.543 3.059 1.00 0.00 O ATOM 838 CB LYS B 21 -3.613 -2.607 3.923 1.00 0.00 C ATOM 839 CG LYS B 21 -2.227 -2.011 4.172 1.00 0.00 C ATOM 840 CD LYS B 21 -2.069 -1.686 5.659 1.00 0.00 C ATOM 841 CE LYS B 21 -0.594 -1.781 6.050 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.484 -2.019 7.516 1.00 0.00 N ATOM 0 H LYS B 21 -3.676 -1.587 1.670 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.668 -4.032 2.614 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.352 -1.811 3.832 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.912 -3.224 4.770 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.456 -2.715 3.859 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.096 -1.108 3.576 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.447 -0.684 5.865 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.660 -2.379 6.258 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.113 -2.591 5.502 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.075 -0.861 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.519 -2.084 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.929 -1.232 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.965 -2.908 7.760 1.00 0.00 H new ATOM 856 N ARG B 22 -5.924 -3.881 2.179 1.00 0.00 N ATOM 857 CA ARG B 22 -7.144 -4.684 2.131 1.00 0.00 C ATOM 858 C ARG B 22 -6.954 -5.886 1.210 1.00 0.00 C ATOM 859 O ARG B 22 -7.384 -6.997 1.519 1.00 0.00 O ATOM 860 CB ARG B 22 -8.317 -3.846 1.623 1.00 0.00 C ATOM 861 CG ARG B 22 -9.622 -4.624 1.814 1.00 0.00 C ATOM 862 CD ARG B 22 -10.753 -3.652 2.156 1.00 0.00 C ATOM 863 NE ARG B 22 -12.022 -4.114 1.591 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.326 -3.952 0.294 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.493 -3.368 -0.532 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.473 -4.385 -0.153 1.00 0.00 N ATOM 0 H ARG B 22 -6.027 -2.928 1.832 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.359 -5.031 3.142 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.363 -2.900 2.163 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.176 -3.605 0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.865 -5.175 0.906 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.506 -5.358 2.611 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.844 -3.558 3.238 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.517 -2.661 1.769 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.697 -4.574 2.203 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.594 -3.026 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.744 -3.255 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.128 -4.841 0.482 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.714 -4.267 -1.137 1.00 0.00 H new ATOM 880 N GLN B 23 -6.302 -5.650 0.074 1.00 0.00 N ATOM 881 CA GLN B 23 -6.059 -6.720 -0.890 1.00 0.00 C ATOM 882 C GLN B 23 -4.989 -7.673 -0.370 1.00 0.00 C ATOM 883 O GLN B 23 -5.176 -8.891 -0.354 1.00 0.00 O ATOM 884 CB GLN B 23 -5.601 -6.138 -2.229 1.00 0.00 C ATOM 885 CG GLN B 23 -6.822 -5.815 -3.090 1.00 0.00 C ATOM 886 CD GLN B 23 -7.371 -7.100 -3.702 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.442 -7.570 -3.320 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.692 -7.704 -4.638 1.00 0.00 N ATOM 0 H GLN B 23 -5.936 -4.738 -0.200 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.992 -7.265 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.011 -5.236 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.957 -6.850 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.589 -5.332 -2.485 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.549 -5.113 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.804 -7.315 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.049 -8.565 -5.052 1.00 0.00 H new ATOM 897 N ASN B 24 -3.862 -7.107 0.055 1.00 0.00 N ATOM 898 CA ASN B 24 -2.763 -7.915 0.574 1.00 0.00 C ATOM 899 C ASN B 24 -3.191 -8.651 1.841 1.00 0.00 C ATOM 900 O ASN B 24 -2.724 -9.755 2.122 1.00 0.00 O ATOM 901 CB ASN B 24 -1.555 -7.032 0.894 1.00 0.00 C ATOM 902 CG ASN B 24 -1.101 -6.307 -0.370 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.869 -6.160 -1.322 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.115 -5.841 -0.435 1.00 0.00 N ATOM 0 H ASN B 24 -3.687 -6.102 0.051 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.490 -8.641 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.815 -6.309 1.667 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.741 -7.641 1.288 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.431 -5.355 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.751 -5.963 0.353 1.00 0.00 H new ATOM 911 N ALA B 25 -4.084 -8.025 2.604 1.00 0.00 N ATOM 912 CA ALA B 25 -4.570 -8.627 3.843 1.00 0.00 C ATOM 913 C ALA B 25 -5.281 -9.946 3.554 1.00 0.00 C ATOM 914 O ALA B 25 -4.819 -11.017 3.949 1.00 0.00 O ATOM 915 CB ALA B 25 -5.541 -7.684 4.552 1.00 0.00 C ATOM 0 H ALA B 25 -4.482 -7.111 2.389 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.709 -8.812 4.485 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.893 -8.149 5.473 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.033 -6.749 4.789 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.391 -7.480 3.901 1.00 0.00 H new ATOM 921 N LEU B 26 -6.413 -9.854 2.861 1.00 0.00 N ATOM 922 CA LEU B 26 -7.187 -11.047 2.521 1.00 0.00 C ATOM 923 C LEU B 26 -6.360 -12.004 1.666 1.00 0.00 C ATOM 924 O LEU B 26 -6.544 -13.219 1.714 1.00 0.00 O ATOM 925 CB LEU B 26 -8.457 -10.664 1.758 1.00 0.00 C ATOM 926 CG LEU B 26 -8.087 -9.841 0.518 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.055 -10.749 -0.711 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.129 -8.738 0.306 1.00 0.00 C ATOM 0 H LEU B 26 -6.812 -8.977 2.527 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.459 -11.543 3.453 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.999 -11.562 1.462 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -9.121 -10.089 2.403 1.00 0.00 H new ATOM 0 HG LEU B 26 -7.104 -9.393 0.664 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -7.792 -10.162 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.314 -11.534 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.037 -11.200 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.866 -8.153 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.111 -9.188 0.163 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.152 -8.087 1.180 1.00 0.00 H new ATOM 940 N LEU B 27 -5.444 -11.440 0.880 1.00 0.00 N ATOM 941 CA LEU B 27 -4.592 -12.253 0.014 1.00 0.00 C ATOM 942 C LEU B 27 -3.743 -13.209 0.846 1.00 0.00 C ATOM 943 O LEU B 27 -3.784 -14.424 0.654 1.00 0.00 O ATOM 944 CB LEU B 27 -3.667 -11.360 -0.816 1.00 0.00 C ATOM 945 CG LEU B 27 -4.383 -10.937 -2.100 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.571 -9.846 -2.802 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.522 -12.145 -3.027 1.00 0.00 C ATOM 0 H LEU B 27 -5.274 -10.436 0.825 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.238 -12.826 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.381 -10.480 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.749 -11.895 -1.058 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.372 -10.551 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.081 -9.545 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.471 -8.985 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.581 -10.231 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.032 -11.845 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.533 -12.531 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.101 -12.922 -2.528 1.00 0.00 H new ATOM 959 N GLU B 28 -2.973 -12.646 1.773 1.00 0.00 N ATOM 960 CA GLU B 28 -2.110 -13.453 2.637 1.00 0.00 C ATOM 961 C GLU B 28 -2.935 -14.473 3.422 1.00 0.00 C ATOM 962 O GLU B 28 -2.561 -15.640 3.535 1.00 0.00 O ATOM 963 CB GLU B 28 -1.356 -12.556 3.622 1.00 0.00 C ATOM 964 CG GLU B 28 -0.340 -13.387 4.407 1.00 0.00 C ATOM 965 CD GLU B 28 1.032 -13.278 3.748 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.574 -12.185 3.733 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.517 -14.288 3.267 1.00 0.00 O ATOM 0 H GLU B 28 -2.927 -11.642 1.946 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.397 -13.979 2.002 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.847 -11.757 3.084 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.059 -12.082 4.307 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.288 -13.037 5.438 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.656 -14.430 4.440 1.00 0.00 H new ATOM 974 N GLN B 29 -4.063 -14.015 3.962 1.00 0.00 N ATOM 975 CA GLN B 29 -4.946 -14.889 4.741 1.00 0.00 C ATOM 976 C GLN B 29 -5.329 -16.133 3.941 1.00 0.00 C ATOM 977 O GLN B 29 -5.551 -17.205 4.503 1.00 0.00 O ATOM 978 CB GLN B 29 -6.220 -14.141 5.137 1.00 0.00 C ATOM 979 CG GLN B 29 -6.757 -14.706 6.453 1.00 0.00 C ATOM 980 CD GLN B 29 -7.468 -13.603 7.229 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.696 -13.523 7.223 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.761 -12.738 7.904 1.00 0.00 N ATOM 0 H GLN B 29 -4.388 -13.052 3.877 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.404 -15.194 5.636 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.011 -13.077 5.245 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.971 -14.240 4.353 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.446 -15.527 6.254 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.939 -15.113 7.047 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.743 -12.804 7.909 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.226 -11.996 8.426 1.00 0.00 H new ATOM 991 N GLN B 30 -5.398 -15.978 2.621 1.00 0.00 N ATOM 992 CA GLN B 30 -5.750 -17.096 1.750 1.00 0.00 C ATOM 993 C GLN B 30 -4.493 -17.852 1.331 1.00 0.00 C ATOM 994 O GLN B 30 -4.512 -19.071 1.158 1.00 0.00 O ATOM 995 CB GLN B 30 -6.472 -16.596 0.498 1.00 0.00 C ATOM 996 CG GLN B 30 -7.939 -16.313 0.832 1.00 0.00 C ATOM 997 CD GLN B 30 -8.763 -17.574 0.608 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.675 -18.528 1.382 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.570 -17.639 -0.416 1.00 0.00 N ATOM 0 H GLN B 30 -5.217 -15.099 2.135 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.411 -17.762 2.304 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.992 -15.691 0.126 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.406 -17.341 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -8.031 -15.985 1.867 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.316 -15.504 0.207 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -9.644 -16.850 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.127 -18.479 -0.574 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.399 -17.113 1.176 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.129 -17.715 0.779 1.00 0.00 C ATOM 1010 C VAL B 31 -1.559 -18.546 1.928 1.00 0.00 C ATOM 1011 O VAL B 31 -0.905 -19.565 1.710 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.124 -16.624 0.390 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.168 -17.265 -0.127 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.729 -15.737 -0.707 1.00 0.00 C ATOM 0 H VAL B 31 -3.365 -16.103 1.318 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.306 -18.362 -0.080 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.897 -16.018 1.267 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.877 -16.484 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.601 -17.891 0.653 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.054 -17.877 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.014 -14.962 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.960 -16.346 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.643 -15.273 -0.337 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.814 -18.094 3.153 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.321 -18.801 4.331 1.00 0.00 C ATOM 1026 C ARG B 32 -1.996 -20.163 4.456 1.00 0.00 C ATOM 1027 O ARG B 32 -1.366 -21.152 4.829 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.599 -17.989 5.598 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.517 -18.280 6.640 1.00 0.00 C ATOM 1030 CD ARG B 32 0.632 -17.285 6.473 1.00 0.00 C ATOM 1031 NE ARG B 32 1.623 -17.458 7.538 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.681 -16.643 7.668 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.876 -15.645 6.838 1.00 0.00 N ATOM 1034 NH2 ARG B 32 3.532 -16.846 8.635 1.00 0.00 N ATOM 0 H ARG B 32 -2.353 -17.252 3.355 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.246 -18.937 4.216 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.616 -16.925 5.364 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.581 -18.243 5.997 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.934 -18.205 7.644 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.149 -19.299 6.523 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.105 -17.428 5.502 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.244 -16.267 6.492 1.00 0.00 H new ATOM 0 HE ARG B 32 1.505 -18.223 8.202 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.217 -15.478 6.078 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.686 -15.037 6.954 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.391 -17.619 9.285 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.339 -16.232 8.741 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.287 -20.201 4.140 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.044 -21.448 4.219 1.00 0.00 C ATOM 1050 C ALA B 33 -3.816 -22.290 2.969 1.00 0.00 C ATOM 1051 O ALA B 33 -3.212 -23.361 3.024 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.540 -21.157 4.360 1.00 0.00 C ATOM 0 H ALA B 33 -3.827 -19.393 3.830 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.697 -21.998 5.094 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.090 -22.097 4.418 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.714 -20.579 5.267 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.883 -20.588 3.496 1.00 0.00 H new ATOM 1058 N LEU B 34 -4.307 -21.792 1.837 1.00 0.00 N ATOM 1059 CA LEU B 34 -4.154 -22.505 0.571 1.00 0.00 C ATOM 1060 C LEU B 34 -2.677 -22.648 0.217 1.00 0.00 C ATOM 1061 O LEU B 34 -2.141 -23.755 0.178 1.00 0.00 O ATOM 1062 CB LEU B 34 -4.867 -21.756 -0.555 1.00 0.00 C ATOM 1063 CG LEU B 34 -6.351 -22.123 -0.553 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -7.007 -21.590 0.721 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -7.031 -21.500 -1.775 1.00 0.00 C ATOM 0 H LEU B 34 -4.809 -20.907 1.769 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.598 -23.494 0.685 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -4.747 -20.681 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.420 -22.011 -1.516 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.457 -23.207 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.065 -21.852 0.722 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.523 -22.032 1.592 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.901 -20.506 0.758 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -8.089 -21.761 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.925 -20.416 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.564 -21.879 -2.684 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.978 -21.578 -0.046 1.00 0.00 N TER 1080 NH2 B 35