USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 1 PHE N :NH3+ 160:sc= 0.887 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= 0.778 K(o=1.7,f=-1.8) USER MOD Set 2.1: A 1 GLY N :NH3+ 150:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.893 K(o=2.2,f=-2.9) USER MOD Set 2.3: A 19 TYR OH : rot 180:sc= 0.13 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 12 SER OG : rot -41:sc= 0.456 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.516 K(o=0.52,f=-2.9!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 ASN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= 2.98 (180deg=2.7) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.166 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.130 -6.890 6.486 1.00 0.00 N ATOM 2 CA GLY A 1 12.377 -6.047 5.534 1.00 0.00 C ATOM 3 C GLY A 1 11.176 -6.797 4.988 1.00 0.00 C ATOM 4 O GLY A 1 10.425 -7.392 5.759 1.00 0.00 O ATOM 0 H1 GLY A 1 14.136 -6.628 6.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.758 -6.746 7.447 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.026 -7.890 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.047 -5.134 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.028 -5.746 4.713 1.00 0.00 H new ATOM 10 N ILE A 2 10.998 -6.771 3.661 1.00 0.00 N ATOM 11 CA ILE A 2 10.038 -7.622 2.923 1.00 0.00 C ATOM 12 C ILE A 2 10.426 -7.759 1.439 1.00 0.00 C ATOM 13 O ILE A 2 10.478 -8.877 0.923 1.00 0.00 O ATOM 14 CB ILE A 2 8.574 -7.139 3.119 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.542 -8.066 2.442 1.00 0.00 C ATOM 16 CG2 ILE A 2 8.326 -5.693 2.652 1.00 0.00 C ATOM 17 CD1 ILE A 2 7.554 -9.505 2.968 1.00 0.00 C ATOM 0 H ILE A 2 11.526 -6.146 3.051 1.00 0.00 H new ATOM 0 HA ILE A 2 10.090 -8.624 3.349 1.00 0.00 H new ATOM 0 HB ILE A 2 8.434 -7.174 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.546 -7.647 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.732 -8.081 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.282 -5.430 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.967 -5.014 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.553 -5.610 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.801 -10.091 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.537 -9.945 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.332 -9.504 4.035 1.00 0.00 H new ATOM 29 N VAL A 3 10.772 -6.643 0.767 1.00 0.00 N ATOM 30 CA VAL A 3 11.294 -6.642 -0.622 1.00 0.00 C ATOM 31 C VAL A 3 12.457 -5.672 -0.860 1.00 0.00 C ATOM 32 O VAL A 3 13.460 -6.068 -1.449 1.00 0.00 O ATOM 33 CB VAL A 3 10.193 -6.424 -1.690 1.00 0.00 C ATOM 34 CG1 VAL A 3 9.180 -7.570 -1.715 1.00 0.00 C ATOM 35 CG2 VAL A 3 9.412 -5.108 -1.558 1.00 0.00 C ATOM 0 H VAL A 3 10.698 -5.710 1.172 1.00 0.00 H new ATOM 0 HA VAL A 3 11.690 -7.650 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 3 10.758 -6.383 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.427 -7.374 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.693 -8.504 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.697 -7.650 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.665 -5.047 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.916 -5.075 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.100 -4.267 -1.643 1.00 0.00 H new ATOM 45 N GLU A 4 12.375 -4.425 -0.380 1.00 0.00 N ATOM 46 CA GLU A 4 13.368 -3.381 -0.690 1.00 0.00 C ATOM 47 C GLU A 4 14.765 -3.750 -0.188 1.00 0.00 C ATOM 48 O GLU A 4 15.725 -3.668 -0.956 1.00 0.00 O ATOM 49 CB GLU A 4 12.887 -2.035 -0.118 1.00 0.00 C ATOM 50 CG GLU A 4 13.791 -0.864 -0.530 1.00 0.00 C ATOM 51 CD GLU A 4 13.210 0.479 -0.041 1.00 0.00 C ATOM 52 OE1 GLU A 4 13.450 0.862 1.129 1.00 0.00 O ATOM 53 OE2 GLU A 4 12.507 1.162 -0.826 1.00 0.00 O ATOM 0 H GLU A 4 11.623 -4.109 0.232 1.00 0.00 H new ATOM 0 HA GLU A 4 13.455 -3.291 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.870 -1.842 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.852 -2.098 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.789 -1.006 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.897 -0.845 -1.615 1.00 0.00 H new ATOM 60 N GLN A 5 14.873 -4.255 1.046 1.00 0.00 N ATOM 61 CA GLN A 5 16.144 -4.662 1.663 1.00 0.00 C ATOM 62 C GLN A 5 16.888 -5.726 0.836 1.00 0.00 C ATOM 63 O GLN A 5 18.116 -5.714 0.803 1.00 0.00 O ATOM 64 CB GLN A 5 15.855 -5.165 3.087 1.00 0.00 C ATOM 65 CG GLN A 5 17.136 -5.465 3.889 1.00 0.00 C ATOM 66 CD GLN A 5 16.872 -5.888 5.335 1.00 0.00 C ATOM 67 OE1 GLN A 5 15.744 -6.050 5.786 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.903 -6.092 6.128 1.00 0.00 N ATOM 0 H GLN A 5 14.067 -4.395 1.655 1.00 0.00 H new ATOM 0 HA GLN A 5 16.807 -3.798 1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.267 -4.417 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.247 -6.068 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.693 -6.255 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.770 -4.578 3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.851 -5.963 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.753 -6.379 7.095 1.00 0.00 H new ATOM 77 N CYS A 6 16.155 -6.604 0.145 1.00 0.00 N ATOM 78 CA CYS A 6 16.695 -7.704 -0.662 1.00 0.00 C ATOM 79 C CYS A 6 16.954 -7.345 -2.138 1.00 0.00 C ATOM 80 O CYS A 6 17.565 -8.136 -2.859 1.00 0.00 O ATOM 81 CB CYS A 6 15.747 -8.902 -0.532 1.00 0.00 C ATOM 82 SG CYS A 6 15.387 -9.412 1.170 1.00 0.00 S ATOM 0 H CYS A 6 15.136 -6.568 0.131 1.00 0.00 H new ATOM 0 HA CYS A 6 17.683 -7.947 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 6 14.808 -8.659 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.180 -9.748 -1.065 1.00 0.00 H new ATOM 87 N CYS A 7 16.507 -6.159 -2.570 1.00 0.00 N ATOM 88 CA CYS A 7 16.799 -5.561 -3.874 1.00 0.00 C ATOM 89 C CYS A 7 17.952 -4.541 -3.792 1.00 0.00 C ATOM 90 O CYS A 7 18.849 -4.545 -4.638 1.00 0.00 O ATOM 91 CB CYS A 7 15.497 -4.945 -4.406 1.00 0.00 C ATOM 92 SG CYS A 7 15.625 -3.971 -5.930 1.00 0.00 S ATOM 0 H CYS A 7 15.907 -5.567 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 7 17.148 -6.324 -4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.783 -5.751 -4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.079 -4.307 -3.628 1.00 0.00 H new ATOM 97 N THR A 8 17.971 -3.691 -2.755 1.00 0.00 N ATOM 98 CA THR A 8 19.027 -2.683 -2.529 1.00 0.00 C ATOM 99 C THR A 8 20.279 -3.260 -1.839 1.00 0.00 C ATOM 100 O THR A 8 21.377 -2.718 -1.977 1.00 0.00 O ATOM 101 CB THR A 8 18.443 -1.471 -1.782 1.00 0.00 C ATOM 102 OG1 THR A 8 19.273 -0.342 -1.950 1.00 0.00 O ATOM 103 CG2 THR A 8 18.248 -1.694 -0.280 1.00 0.00 C ATOM 0 H THR A 8 17.246 -3.681 -2.038 1.00 0.00 H new ATOM 0 HA THR A 8 19.380 -2.347 -3.504 1.00 0.00 H new ATOM 0 HB THR A 8 17.459 -1.315 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.888 0.421 -1.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.833 -0.793 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.563 -2.527 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.209 -1.921 0.182 1.00 0.00 H new ATOM 111 N SER A 9 20.136 -4.390 -1.137 1.00 0.00 N ATOM 112 CA SER A 9 21.217 -5.163 -0.507 1.00 0.00 C ATOM 113 C SER A 9 20.935 -6.673 -0.604 1.00 0.00 C ATOM 114 O SER A 9 19.927 -7.099 -1.170 1.00 0.00 O ATOM 115 CB SER A 9 21.385 -4.714 0.951 1.00 0.00 C ATOM 116 OG SER A 9 22.633 -5.157 1.459 1.00 0.00 O ATOM 0 H SER A 9 19.220 -4.812 -0.984 1.00 0.00 H new ATOM 0 HA SER A 9 22.151 -4.975 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.323 -3.628 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.574 -5.115 1.559 1.00 0.00 H new ATOM 0 HG SER A 9 22.730 -4.864 2.389 1.00 0.00 H new ATOM 122 N ILE A 10 21.841 -7.502 -0.081 1.00 0.00 N ATOM 123 CA ILE A 10 21.755 -8.970 -0.112 1.00 0.00 C ATOM 124 C ILE A 10 20.828 -9.527 0.984 1.00 0.00 C ATOM 125 O ILE A 10 20.736 -8.953 2.073 1.00 0.00 O ATOM 126 CB ILE A 10 23.165 -9.606 -0.076 1.00 0.00 C ATOM 127 CG1 ILE A 10 23.919 -9.324 1.246 1.00 0.00 C ATOM 128 CG2 ILE A 10 23.974 -9.134 -1.302 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.309 -9.965 1.338 1.00 0.00 C ATOM 0 H ILE A 10 22.680 -7.164 0.390 1.00 0.00 H new ATOM 0 HA ILE A 10 21.295 -9.252 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 10 23.044 -10.688 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.022 -8.246 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.313 -9.682 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.967 -9.582 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.462 -9.438 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.065 -8.048 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.763 -9.714 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.217 -11.048 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.937 -9.589 0.530 1.00 0.00 H new ATOM 141 N CYS A 11 20.170 -10.665 0.717 1.00 0.00 N ATOM 142 CA CYS A 11 19.328 -11.387 1.683 1.00 0.00 C ATOM 143 C CYS A 11 19.573 -12.902 1.645 1.00 0.00 C ATOM 144 O CYS A 11 19.430 -13.530 0.593 1.00 0.00 O ATOM 145 CB CYS A 11 17.841 -11.113 1.421 1.00 0.00 C ATOM 146 SG CYS A 11 17.231 -9.520 2.018 1.00 0.00 S ATOM 0 H CYS A 11 20.209 -11.119 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 11 19.603 -11.019 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.661 -11.173 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.255 -11.905 1.887 1.00 0.00 H new ATOM 151 N SER A 12 19.864 -13.499 2.801 1.00 0.00 N ATOM 152 CA SER A 12 19.998 -14.949 2.965 1.00 0.00 C ATOM 153 C SER A 12 18.643 -15.650 2.851 1.00 0.00 C ATOM 154 O SER A 12 17.587 -15.053 3.087 1.00 0.00 O ATOM 155 CB SER A 12 20.622 -15.266 4.333 1.00 0.00 C ATOM 156 OG SER A 12 21.894 -14.660 4.472 1.00 0.00 O ATOM 0 H SER A 12 20.016 -12.980 3.666 1.00 0.00 H new ATOM 0 HA SER A 12 20.644 -15.317 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.961 -14.916 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.716 -16.346 4.450 1.00 0.00 H new ATOM 0 HG SER A 12 22.389 -14.741 3.630 1.00 0.00 H new ATOM 162 N LEU A 13 18.663 -16.960 2.592 1.00 0.00 N ATOM 163 CA LEU A 13 17.463 -17.810 2.595 1.00 0.00 C ATOM 164 C LEU A 13 16.717 -17.712 3.944 1.00 0.00 C ATOM 165 O LEU A 13 15.491 -17.714 3.970 1.00 0.00 O ATOM 166 CB LEU A 13 17.861 -19.272 2.317 1.00 0.00 C ATOM 167 CG LEU A 13 18.336 -19.586 0.885 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.706 -18.998 0.521 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.440 -21.102 0.710 1.00 0.00 C ATOM 0 H LEU A 13 19.520 -17.468 2.372 1.00 0.00 H new ATOM 0 HA LEU A 13 16.792 -17.461 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.655 -19.549 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.006 -19.909 2.542 1.00 0.00 H new ATOM 0 HG LEU A 13 17.596 -19.127 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.958 -19.270 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.671 -17.912 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.463 -19.394 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.776 -21.329 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.155 -21.503 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.463 -21.556 0.879 1.00 0.00 H new ATOM 181 N TYR A 14 17.446 -17.524 5.050 1.00 0.00 N ATOM 182 CA TYR A 14 16.881 -17.377 6.399 1.00 0.00 C ATOM 183 C TYR A 14 16.023 -16.107 6.559 1.00 0.00 C ATOM 184 O TYR A 14 15.049 -16.100 7.315 1.00 0.00 O ATOM 185 CB TYR A 14 18.025 -17.379 7.429 1.00 0.00 C ATOM 186 CG TYR A 14 19.023 -18.513 7.273 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.587 -19.850 7.340 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.384 -18.229 7.039 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.503 -20.904 7.165 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.304 -19.282 6.875 1.00 0.00 C ATOM 191 CZ TYR A 14 20.868 -20.623 6.930 1.00 0.00 C ATOM 192 OH TYR A 14 21.764 -21.635 6.773 1.00 0.00 O ATOM 0 H TYR A 14 18.464 -17.469 5.034 1.00 0.00 H new ATOM 0 HA TYR A 14 16.214 -18.222 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.559 -16.432 7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.594 -17.428 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.546 -20.068 7.526 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.721 -17.204 6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.163 -21.928 7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.348 -19.063 6.706 1.00 0.00 H new ATOM 0 HH TYR A 14 22.656 -21.261 6.619 1.00 0.00 H new ATOM 202 N GLN A 15 16.341 -15.039 5.815 1.00 0.00 N ATOM 203 CA GLN A 15 15.545 -13.809 5.756 1.00 0.00 C ATOM 204 C GLN A 15 14.304 -14.000 4.875 1.00 0.00 C ATOM 205 O GLN A 15 13.230 -13.511 5.213 1.00 0.00 O ATOM 206 CB GLN A 15 16.413 -12.649 5.242 1.00 0.00 C ATOM 207 CG GLN A 15 17.547 -12.288 6.215 1.00 0.00 C ATOM 208 CD GLN A 15 18.536 -11.311 5.585 1.00 0.00 C ATOM 209 OE1 GLN A 15 19.594 -11.692 5.104 1.00 0.00 O ATOM 210 NE2 GLN A 15 18.230 -10.032 5.534 1.00 0.00 N ATOM 0 H GLN A 15 17.174 -15.007 5.227 1.00 0.00 H new ATOM 0 HA GLN A 15 15.200 -13.567 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.839 -12.919 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.785 -11.773 5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 15 17.126 -11.848 7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.072 -13.195 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.351 -9.702 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.872 -9.371 5.097 1.00 0.00 H new ATOM 219 N LEU A 16 14.421 -14.771 3.785 1.00 0.00 N ATOM 220 CA LEU A 16 13.288 -15.094 2.909 1.00 0.00 C ATOM 221 C LEU A 16 12.292 -16.067 3.576 1.00 0.00 C ATOM 222 O LEU A 16 11.083 -15.916 3.410 1.00 0.00 O ATOM 223 CB LEU A 16 13.825 -15.603 1.559 1.00 0.00 C ATOM 224 CG LEU A 16 14.644 -14.571 0.754 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.255 -15.258 -0.467 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.814 -13.390 0.254 1.00 0.00 C ATOM 0 H LEU A 16 15.303 -15.188 3.487 1.00 0.00 H new ATOM 0 HA LEU A 16 12.708 -14.190 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.448 -16.479 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.983 -15.931 0.950 1.00 0.00 H new ATOM 0 HG LEU A 16 15.402 -14.183 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.835 -14.534 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.907 -16.068 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.460 -15.662 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.454 -12.705 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.019 -13.754 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.376 -12.867 1.104 1.00 0.00 H new ATOM 238 N GLU A 17 12.756 -16.995 4.426 1.00 0.00 N ATOM 239 CA GLU A 17 11.887 -17.833 5.279 1.00 0.00 C ATOM 240 C GLU A 17 11.055 -17.008 6.279 1.00 0.00 C ATOM 241 O GLU A 17 9.923 -17.386 6.600 1.00 0.00 O ATOM 242 CB GLU A 17 12.714 -18.872 6.056 1.00 0.00 C ATOM 243 CG GLU A 17 13.200 -20.039 5.187 1.00 0.00 C ATOM 244 CD GLU A 17 13.849 -21.133 6.052 1.00 0.00 C ATOM 245 OE1 GLU A 17 15.041 -21.003 6.417 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.168 -22.136 6.383 1.00 0.00 O ATOM 0 H GLU A 17 13.750 -17.190 4.545 1.00 0.00 H new ATOM 0 HA GLU A 17 11.198 -18.336 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.577 -18.378 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.112 -19.265 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.361 -20.458 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.919 -19.676 4.452 1.00 0.00 H new ATOM 253 N ASN A 18 11.557 -15.857 6.739 1.00 0.00 N ATOM 254 CA ASN A 18 10.791 -14.953 7.603 1.00 0.00 C ATOM 255 C ASN A 18 9.586 -14.330 6.860 1.00 0.00 C ATOM 256 O ASN A 18 8.584 -13.982 7.487 1.00 0.00 O ATOM 257 CB ASN A 18 11.735 -13.880 8.173 1.00 0.00 C ATOM 258 CG ASN A 18 11.123 -13.103 9.330 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.397 -13.629 10.161 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.423 -11.827 9.444 1.00 0.00 N ATOM 0 H ASN A 18 12.498 -15.528 6.525 1.00 0.00 H new ATOM 0 HA ASN A 18 10.369 -15.525 8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.656 -14.356 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.007 -13.184 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.050 -11.283 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.028 -11.382 8.754 1.00 0.00 H new ATOM 267 N TYR A 19 9.654 -14.245 5.524 1.00 0.00 N ATOM 268 CA TYR A 19 8.559 -13.785 4.662 1.00 0.00 C ATOM 269 C TYR A 19 7.626 -14.931 4.223 1.00 0.00 C ATOM 270 O TYR A 19 6.454 -14.676 3.941 1.00 0.00 O ATOM 271 CB TYR A 19 9.142 -13.029 3.461 1.00 0.00 C ATOM 272 CG TYR A 19 10.237 -12.013 3.764 1.00 0.00 C ATOM 273 CD1 TYR A 19 10.224 -11.252 4.953 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.290 -11.845 2.844 1.00 0.00 C ATOM 275 CE1 TYR A 19 11.290 -10.386 5.248 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.356 -10.970 3.132 1.00 0.00 C ATOM 277 CZ TYR A 19 12.358 -10.235 4.337 1.00 0.00 C ATOM 278 OH TYR A 19 13.368 -9.359 4.620 1.00 0.00 O ATOM 0 H TYR A 19 10.492 -14.500 5.002 1.00 0.00 H new ATOM 0 HA TYR A 19 7.932 -13.106 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.540 -13.761 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.327 -12.512 2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.393 -11.336 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.280 -12.390 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.293 -9.833 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.171 -10.862 2.431 1.00 0.00 H new ATOM 0 HH TYR A 19 14.026 -9.373 3.894 1.00 0.00 H new ATOM 288 N CYS A 20 8.098 -16.187 4.221 1.00 0.00 N ATOM 289 CA CYS A 20 7.246 -17.376 4.057 1.00 0.00 C ATOM 290 C CYS A 20 6.263 -17.533 5.230 1.00 0.00 C ATOM 291 O CYS A 20 5.129 -17.980 5.048 1.00 0.00 O ATOM 292 CB CYS A 20 8.104 -18.644 3.964 1.00 0.00 C ATOM 293 SG CYS A 20 9.247 -18.724 2.567 1.00 0.00 S ATOM 0 H CYS A 20 9.087 -16.408 4.334 1.00 0.00 H new ATOM 0 HA CYS A 20 6.680 -17.239 3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.679 -18.738 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.439 -19.506 3.914 1.00 0.00 H new ATOM 298 N ASN A 21 6.692 -17.147 6.435 1.00 0.00 N ATOM 299 CA ASN A 21 5.844 -17.054 7.623 1.00 0.00 C ATOM 300 C ASN A 21 4.862 -15.863 7.518 1.00 0.00 C ATOM 301 O ASN A 21 5.152 -14.858 6.863 1.00 0.00 O ATOM 302 CB ASN A 21 6.732 -16.969 8.883 1.00 0.00 C ATOM 303 CG ASN A 21 7.338 -18.312 9.263 1.00 0.00 C ATOM 304 OD1 ASN A 21 6.805 -19.034 10.095 1.00 0.00 O ATOM 305 ND2 ASN A 21 8.445 -18.713 8.679 1.00 0.00 N ATOM 0 H ASN A 21 7.661 -16.885 6.614 1.00 0.00 H new ATOM 0 HA ASN A 21 5.230 -17.952 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.532 -16.249 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.139 -16.593 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.851 -19.617 8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.899 -18.120 7.984 1.00 0.00 H new ATOM 312 N GLY A 22 3.696 -15.985 8.170 1.00 0.00 N ATOM 313 CA GLY A 22 2.591 -15.012 8.117 1.00 0.00 C ATOM 314 C GLY A 22 1.819 -15.050 6.797 1.00 0.00 C ATOM 315 O GLY A 22 0.959 -15.947 6.640 1.00 0.00 O ATOM 316 OXT GLY A 22 2.067 -14.172 5.943 1.00 0.00 O ATOM 0 H GLY A 22 3.488 -16.786 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.903 -15.208 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.991 -14.009 8.268 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 27.006 -16.198 2.529 1.00 0.00 N ATOM 322 CA PHE B 1 26.236 -17.149 1.683 1.00 0.00 C ATOM 323 C PHE B 1 26.637 -16.964 0.206 1.00 0.00 C ATOM 324 O PHE B 1 27.785 -16.616 -0.075 1.00 0.00 O ATOM 325 CB PHE B 1 24.713 -17.065 1.977 1.00 0.00 C ATOM 326 CG PHE B 1 23.942 -15.875 1.404 1.00 0.00 C ATOM 327 CD1 PHE B 1 24.089 -14.586 1.950 1.00 0.00 C ATOM 328 CD2 PHE B 1 23.044 -16.066 0.329 1.00 0.00 C ATOM 329 CE1 PHE B 1 23.385 -13.498 1.404 1.00 0.00 C ATOM 330 CE2 PHE B 1 22.362 -14.974 -0.234 1.00 0.00 C ATOM 331 CZ PHE B 1 22.541 -13.688 0.294 1.00 0.00 C ATOM 0 H1 PHE B 1 26.521 -16.073 3.440 1.00 0.00 H new ATOM 0 H2 PHE B 1 27.961 -16.575 2.694 1.00 0.00 H new ATOM 0 H3 PHE B 1 27.075 -15.280 2.045 1.00 0.00 H new ATOM 0 HA PHE B 1 26.492 -18.178 1.936 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.249 -17.977 1.602 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.580 -17.061 3.059 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.746 -14.432 2.793 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.881 -17.059 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.492 -12.515 1.837 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.700 -15.126 -1.074 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.032 -12.845 -0.150 1.00 0.00 H new ATOM 343 N VAL B 2 25.721 -17.147 -0.753 1.00 0.00 N ATOM 344 CA VAL B 2 25.904 -16.800 -2.187 1.00 0.00 C ATOM 345 C VAL B 2 25.997 -15.281 -2.433 1.00 0.00 C ATOM 346 O VAL B 2 26.449 -14.829 -3.485 1.00 0.00 O ATOM 347 CB VAL B 2 24.785 -17.456 -3.042 1.00 0.00 C ATOM 348 CG1 VAL B 2 24.956 -17.270 -4.554 1.00 0.00 C ATOM 349 CG2 VAL B 2 24.722 -18.973 -2.797 1.00 0.00 C ATOM 0 H VAL B 2 24.805 -17.550 -0.559 1.00 0.00 H new ATOM 0 HA VAL B 2 26.866 -17.205 -2.500 1.00 0.00 H new ATOM 0 HB VAL B 2 23.875 -16.947 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL B 2 24.133 -17.758 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL B 2 24.957 -16.206 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL B 2 25.900 -17.713 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL B 2 23.931 -19.408 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL B 2 25.677 -19.425 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL B 2 24.514 -19.163 -1.744 1.00 0.00 H new ATOM 359 N ASN B 3 25.628 -14.489 -1.423 1.00 0.00 N ATOM 360 CA ASN B 3 25.683 -13.023 -1.358 1.00 0.00 C ATOM 361 C ASN B 3 24.976 -12.354 -2.557 1.00 0.00 C ATOM 362 O ASN B 3 25.549 -11.532 -3.277 1.00 0.00 O ATOM 363 CB ASN B 3 27.132 -12.562 -1.096 1.00 0.00 C ATOM 364 CG ASN B 3 27.717 -13.017 0.233 1.00 0.00 C ATOM 365 OD1 ASN B 3 27.100 -13.687 1.051 1.00 0.00 O ATOM 366 ND2 ASN B 3 28.950 -12.652 0.507 1.00 0.00 N ATOM 0 H ASN B 3 25.253 -14.886 -0.561 1.00 0.00 H new ATOM 0 HA ASN B 3 25.101 -12.674 -0.505 1.00 0.00 H new ATOM 0 HB2 ASN B 3 27.767 -12.931 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN B 3 27.165 -11.473 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN B 3 29.379 -12.927 1.391 1.00 0.00 H new ATOM 0 HD22 ASN B 3 29.478 -12.094 -0.164 1.00 0.00 H new ATOM 373 N GLN B 4 23.716 -12.745 -2.776 1.00 0.00 N ATOM 374 CA GLN B 4 22.885 -12.340 -3.910 1.00 0.00 C ATOM 375 C GLN B 4 21.766 -11.364 -3.495 1.00 0.00 C ATOM 376 O GLN B 4 21.207 -11.459 -2.398 1.00 0.00 O ATOM 377 CB GLN B 4 22.351 -13.621 -4.568 1.00 0.00 C ATOM 378 CG GLN B 4 21.678 -13.397 -5.930 1.00 0.00 C ATOM 379 CD GLN B 4 21.334 -14.727 -6.596 1.00 0.00 C ATOM 380 OE1 GLN B 4 20.212 -15.210 -6.550 1.00 0.00 O ATOM 381 NE2 GLN B 4 22.283 -15.386 -7.230 1.00 0.00 N ATOM 0 H GLN B 4 23.230 -13.378 -2.141 1.00 0.00 H new ATOM 0 HA GLN B 4 23.478 -11.779 -4.633 1.00 0.00 H new ATOM 0 HB2 GLN B 4 23.176 -14.322 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN B 4 21.634 -14.090 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN B 4 20.771 -12.807 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN B 4 22.341 -12.823 -6.577 1.00 0.00 H new ATOM 0 HE21 GLN B 4 23.226 -15.000 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN B 4 22.075 -16.282 -7.671 1.00 0.00 H new ATOM 390 N HIS B 5 21.428 -10.440 -4.397 1.00 0.00 N ATOM 391 CA HIS B 5 20.299 -9.513 -4.305 1.00 0.00 C ATOM 392 C HIS B 5 19.410 -9.630 -5.559 1.00 0.00 C ATOM 393 O HIS B 5 19.916 -9.858 -6.662 1.00 0.00 O ATOM 394 CB HIS B 5 20.829 -8.086 -4.096 1.00 0.00 C ATOM 395 CG HIS B 5 21.667 -7.540 -5.224 1.00 0.00 C ATOM 396 ND1 HIS B 5 23.033 -7.655 -5.357 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.217 -6.803 -6.288 1.00 0.00 C ATOM 398 CE1 HIS B 5 23.400 -7.011 -6.479 1.00 0.00 C ATOM 399 NE2 HIS B 5 22.325 -6.471 -7.084 1.00 0.00 N ATOM 0 H HIS B 5 21.963 -10.312 -5.256 1.00 0.00 H new ATOM 0 HA HIS B 5 19.675 -9.767 -3.448 1.00 0.00 H new ATOM 0 HB2 HIS B 5 19.980 -7.420 -3.940 1.00 0.00 H new ATOM 0 HB3 HIS B 5 21.422 -8.066 -3.182 1.00 0.00 H new ATOM 0 HD2 HIS B 5 20.191 -6.526 -6.480 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.414 -6.937 -6.843 1.00 0.00 H new ATOM 0 HE2 HIS B 5 22.317 -5.929 -7.948 1.00 0.00 H new ATOM 407 N LEU B 6 18.089 -9.501 -5.394 1.00 0.00 N ATOM 408 CA LEU B 6 17.084 -9.659 -6.449 1.00 0.00 C ATOM 409 C LEU B 6 15.970 -8.614 -6.303 1.00 0.00 C ATOM 410 O LEU B 6 15.633 -8.205 -5.193 1.00 0.00 O ATOM 411 CB LEU B 6 16.462 -11.071 -6.415 1.00 0.00 C ATOM 412 CG LEU B 6 17.439 -12.262 -6.433 1.00 0.00 C ATOM 413 CD1 LEU B 6 17.788 -12.746 -5.020 1.00 0.00 C ATOM 414 CD2 LEU B 6 16.784 -13.434 -7.153 1.00 0.00 C ATOM 0 H LEU B 6 17.676 -9.276 -4.489 1.00 0.00 H new ATOM 0 HA LEU B 6 17.590 -9.515 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU B 6 15.847 -11.150 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.793 -11.168 -7.270 1.00 0.00 H new ATOM 0 HG LEU B 6 18.347 -11.924 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.479 -13.586 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.254 -11.934 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.879 -13.062 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.470 -14.281 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.870 -13.718 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.542 -13.144 -8.175 1.00 0.00 H new ATOM 426 N CYS B 7 15.356 -8.230 -7.422 1.00 0.00 N ATOM 427 CA CYS B 7 14.279 -7.234 -7.476 1.00 0.00 C ATOM 428 C CYS B 7 13.044 -7.771 -8.225 1.00 0.00 C ATOM 429 O CYS B 7 13.152 -8.668 -9.065 1.00 0.00 O ATOM 430 CB CYS B 7 14.830 -5.962 -8.134 1.00 0.00 C ATOM 431 SG CYS B 7 16.313 -5.244 -7.364 1.00 0.00 S ATOM 0 H CYS B 7 15.597 -8.609 -8.338 1.00 0.00 H new ATOM 0 HA CYS B 7 13.943 -7.006 -6.464 1.00 0.00 H new ATOM 0 HB2 CYS B 7 15.058 -6.186 -9.176 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.044 -5.207 -8.135 1.00 0.00 H new ATOM 436 N GLY B 8 11.864 -7.213 -7.926 1.00 0.00 N ATOM 437 CA GLY B 8 10.605 -7.546 -8.604 1.00 0.00 C ATOM 438 C GLY B 8 10.233 -9.032 -8.522 1.00 0.00 C ATOM 439 O GLY B 8 10.431 -9.691 -7.499 1.00 0.00 O ATOM 0 H GLY B 8 11.756 -6.508 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY B 8 9.800 -6.955 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY B 8 10.680 -7.257 -9.652 1.00 0.00 H new ATOM 443 N SER B 9 9.714 -9.587 -9.619 1.00 0.00 N ATOM 444 CA SER B 9 9.301 -10.996 -9.710 1.00 0.00 C ATOM 445 C SER B 9 10.448 -12.001 -9.539 1.00 0.00 C ATOM 446 O SER B 9 10.203 -13.122 -9.095 1.00 0.00 O ATOM 447 CB SER B 9 8.581 -11.243 -11.045 1.00 0.00 C ATOM 448 OG SER B 9 9.408 -10.879 -12.139 1.00 0.00 O ATOM 0 H SER B 9 9.565 -9.066 -10.483 1.00 0.00 H new ATOM 0 HA SER B 9 8.626 -11.167 -8.871 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.306 -12.295 -11.126 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.656 -10.668 -11.076 1.00 0.00 H new ATOM 0 HG SER B 9 8.931 -11.046 -12.979 1.00 0.00 H new ATOM 454 N HIS B 10 11.704 -11.613 -9.797 1.00 0.00 N ATOM 455 CA HIS B 10 12.877 -12.458 -9.537 1.00 0.00 C ATOM 456 C HIS B 10 13.057 -12.720 -8.031 1.00 0.00 C ATOM 457 O HIS B 10 13.337 -13.847 -7.620 1.00 0.00 O ATOM 458 CB HIS B 10 14.146 -11.809 -10.112 1.00 0.00 C ATOM 459 CG HIS B 10 14.023 -11.335 -11.539 1.00 0.00 C ATOM 460 ND1 HIS B 10 13.656 -12.085 -12.635 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.255 -10.060 -11.984 1.00 0.00 C ATOM 462 CE1 HIS B 10 13.659 -11.282 -13.711 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.020 -10.032 -13.367 1.00 0.00 N ATOM 0 H HIS B 10 11.936 -10.702 -10.193 1.00 0.00 H new ATOM 0 HA HIS B 10 12.710 -13.415 -10.031 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.420 -10.961 -9.484 1.00 0.00 H new ATOM 0 HB3 HIS B 10 14.964 -12.527 -10.052 1.00 0.00 H new ATOM 0 HD2 HIS B 10 14.565 -9.223 -11.376 1.00 0.00 H new ATOM 0 HE1 HIS B 10 13.407 -11.596 -14.713 1.00 0.00 H new ATOM 0 HE2 HIS B 10 14.106 -9.226 -13.987 1.00 0.00 H new ATOM 471 N LEU B 11 12.828 -11.696 -7.198 1.00 0.00 N ATOM 472 CA LEU B 11 12.843 -11.825 -5.741 1.00 0.00 C ATOM 473 C LEU B 11 11.672 -12.680 -5.244 1.00 0.00 C ATOM 474 O LEU B 11 11.875 -13.544 -4.393 1.00 0.00 O ATOM 475 CB LEU B 11 12.832 -10.424 -5.108 1.00 0.00 C ATOM 476 CG LEU B 11 12.913 -10.425 -3.572 1.00 0.00 C ATOM 477 CD1 LEU B 11 14.212 -11.031 -3.033 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.808 -8.996 -3.053 1.00 0.00 C ATOM 0 H LEU B 11 12.626 -10.750 -7.522 1.00 0.00 H new ATOM 0 HA LEU B 11 13.754 -12.340 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.671 -9.852 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.922 -9.907 -5.412 1.00 0.00 H new ATOM 0 HG LEU B 11 12.085 -11.043 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU B 11 14.203 -11.000 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU B 11 14.297 -12.065 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU B 11 15.062 -10.459 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.866 -8.999 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.626 -8.401 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU B 11 11.857 -8.565 -3.365 1.00 0.00 H new ATOM 490 N VAL B 12 10.469 -12.487 -5.800 1.00 0.00 N ATOM 491 CA VAL B 12 9.293 -13.314 -5.472 1.00 0.00 C ATOM 492 C VAL B 12 9.542 -14.784 -5.827 1.00 0.00 C ATOM 493 O VAL B 12 9.203 -15.654 -5.033 1.00 0.00 O ATOM 494 CB VAL B 12 8.016 -12.790 -6.160 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.780 -13.639 -5.828 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.703 -11.351 -5.722 1.00 0.00 C ATOM 0 H VAL B 12 10.280 -11.757 -6.487 1.00 0.00 H new ATOM 0 HA VAL B 12 9.135 -13.244 -4.396 1.00 0.00 H new ATOM 0 HB VAL B 12 8.220 -12.840 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.908 -13.228 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.943 -14.664 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.610 -13.628 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.798 -11.007 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.554 -11.324 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.535 -10.700 -5.990 1.00 0.00 H new ATOM 506 N GLU B 13 10.194 -15.078 -6.957 1.00 0.00 N ATOM 507 CA GLU B 13 10.560 -16.448 -7.350 1.00 0.00 C ATOM 508 C GLU B 13 11.601 -17.078 -6.406 1.00 0.00 C ATOM 509 O GLU B 13 11.442 -18.235 -6.019 1.00 0.00 O ATOM 510 CB GLU B 13 11.043 -16.449 -8.810 1.00 0.00 C ATOM 511 CG GLU B 13 11.313 -17.859 -9.346 1.00 0.00 C ATOM 512 CD GLU B 13 11.619 -17.815 -10.855 1.00 0.00 C ATOM 513 OE1 GLU B 13 12.790 -17.581 -11.239 1.00 0.00 O ATOM 514 OE2 GLU B 13 10.689 -18.023 -11.673 1.00 0.00 O ATOM 0 H GLU B 13 10.486 -14.370 -7.630 1.00 0.00 H new ATOM 0 HA GLU B 13 9.671 -17.073 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.294 -15.965 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.954 -15.856 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.153 -18.302 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.447 -18.496 -9.163 1.00 0.00 H new ATOM 521 N ALA B 14 12.617 -16.328 -5.963 1.00 0.00 N ATOM 522 CA ALA B 14 13.561 -16.809 -4.947 1.00 0.00 C ATOM 523 C ALA B 14 12.867 -17.091 -3.601 1.00 0.00 C ATOM 524 O ALA B 14 13.107 -18.131 -2.989 1.00 0.00 O ATOM 525 CB ALA B 14 14.690 -15.786 -4.790 1.00 0.00 C ATOM 0 H ALA B 14 12.807 -15.382 -6.294 1.00 0.00 H new ATOM 0 HA ALA B 14 13.978 -17.760 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.396 -16.136 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.206 -15.665 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.273 -14.828 -4.479 1.00 0.00 H new ATOM 531 N LEU B 15 11.957 -16.210 -3.174 1.00 0.00 N ATOM 532 CA LEU B 15 11.097 -16.407 -2.007 1.00 0.00 C ATOM 533 C LEU B 15 10.245 -17.685 -2.173 1.00 0.00 C ATOM 534 O LEU B 15 10.214 -18.522 -1.274 1.00 0.00 O ATOM 535 CB LEU B 15 10.240 -15.133 -1.818 1.00 0.00 C ATOM 536 CG LEU B 15 9.916 -14.748 -0.366 1.00 0.00 C ATOM 537 CD1 LEU B 15 9.087 -13.460 -0.380 1.00 0.00 C ATOM 538 CD2 LEU B 15 9.159 -15.828 0.387 1.00 0.00 C ATOM 0 H LEU B 15 11.795 -15.319 -3.643 1.00 0.00 H new ATOM 0 HA LEU B 15 11.692 -16.558 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.759 -14.297 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.301 -15.268 -2.355 1.00 0.00 H new ATOM 0 HG LEU B 15 10.862 -14.610 0.157 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.847 -13.171 0.643 1.00 0.00 H new ATOM 0 HD12 LEU B 15 9.659 -12.664 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU B 15 8.164 -13.627 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU B 15 8.962 -15.492 1.405 1.00 0.00 H new ATOM 0 HD22 LEU B 15 8.214 -16.029 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU B 15 9.757 -16.739 0.415 1.00 0.00 H new ATOM 550 N TYR B 16 9.651 -17.905 -3.352 1.00 0.00 N ATOM 551 CA TYR B 16 8.854 -19.095 -3.692 1.00 0.00 C ATOM 552 C TYR B 16 9.666 -20.394 -3.554 1.00 0.00 C ATOM 553 O TYR B 16 9.212 -21.357 -2.928 1.00 0.00 O ATOM 554 CB TYR B 16 8.306 -18.942 -5.127 1.00 0.00 C ATOM 555 CG TYR B 16 6.963 -19.597 -5.408 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.817 -20.996 -5.340 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.861 -18.793 -5.770 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.565 -21.587 -5.605 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.611 -19.382 -6.038 1.00 0.00 C ATOM 560 CZ TYR B 16 4.459 -20.781 -5.954 1.00 0.00 C ATOM 561 OH TYR B 16 3.248 -21.346 -6.220 1.00 0.00 O ATOM 0 H TYR B 16 9.712 -17.239 -4.122 1.00 0.00 H new ATOM 0 HA TYR B 16 8.026 -19.168 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.221 -17.878 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.040 -19.355 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.664 -21.616 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.977 -17.722 -5.842 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.451 -22.659 -5.541 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.769 -18.762 -6.308 1.00 0.00 H new ATOM 0 HH TYR B 16 2.601 -20.644 -6.442 1.00 0.00 H new ATOM 571 N LEU B 17 10.892 -20.405 -4.088 1.00 0.00 N ATOM 572 CA LEU B 17 11.825 -21.532 -4.005 1.00 0.00 C ATOM 573 C LEU B 17 12.332 -21.775 -2.573 1.00 0.00 C ATOM 574 O LEU B 17 12.570 -22.927 -2.202 1.00 0.00 O ATOM 575 CB LEU B 17 12.999 -21.277 -4.971 1.00 0.00 C ATOM 576 CG LEU B 17 12.622 -21.360 -6.464 1.00 0.00 C ATOM 577 CD1 LEU B 17 13.770 -20.830 -7.320 1.00 0.00 C ATOM 578 CD2 LEU B 17 12.316 -22.792 -6.908 1.00 0.00 C ATOM 0 H LEU B 17 11.272 -19.610 -4.603 1.00 0.00 H new ATOM 0 HA LEU B 17 11.294 -22.439 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.414 -20.290 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.787 -22.002 -4.766 1.00 0.00 H new ATOM 0 HG LEU B 17 11.724 -20.757 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.497 -20.892 -8.373 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.970 -19.791 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.663 -21.428 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.056 -22.797 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU B 17 13.193 -23.418 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.480 -23.182 -6.327 1.00 0.00 H new ATOM 590 N VAL B 18 12.443 -20.727 -1.750 1.00 0.00 N ATOM 591 CA VAL B 18 12.751 -20.833 -0.311 1.00 0.00 C ATOM 592 C VAL B 18 11.565 -21.401 0.482 1.00 0.00 C ATOM 593 O VAL B 18 11.770 -22.284 1.318 1.00 0.00 O ATOM 594 CB VAL B 18 13.247 -19.475 0.239 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.284 -19.455 1.768 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.678 -19.225 -0.244 1.00 0.00 C ATOM 0 H VAL B 18 12.320 -19.765 -2.065 1.00 0.00 H new ATOM 0 HA VAL B 18 13.564 -21.547 -0.184 1.00 0.00 H new ATOM 0 HB VAL B 18 12.554 -18.713 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.638 -18.483 2.111 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.282 -19.635 2.159 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.958 -20.233 2.126 1.00 0.00 H new ATOM 0 HG21 VAL B 18 15.030 -18.269 0.142 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.328 -20.023 0.115 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.696 -19.205 -1.334 1.00 0.00 H new ATOM 606 N CYS B 19 10.324 -20.977 0.201 1.00 0.00 N ATOM 607 CA CYS B 19 9.139 -21.540 0.864 1.00 0.00 C ATOM 608 C CYS B 19 8.873 -23.001 0.462 1.00 0.00 C ATOM 609 O CYS B 19 8.411 -23.790 1.289 1.00 0.00 O ATOM 610 CB CYS B 19 7.896 -20.686 0.593 1.00 0.00 C ATOM 611 SG CYS B 19 8.022 -18.913 0.948 1.00 0.00 S ATOM 0 H CYS B 19 10.115 -20.247 -0.480 1.00 0.00 H new ATOM 0 HA CYS B 19 9.353 -21.529 1.933 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.627 -20.803 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.072 -21.091 1.180 1.00 0.00 H new ATOM 616 N GLY B 20 9.171 -23.386 -0.785 1.00 0.00 N ATOM 617 CA GLY B 20 9.072 -24.769 -1.269 1.00 0.00 C ATOM 618 C GLY B 20 7.626 -25.267 -1.387 1.00 0.00 C ATOM 619 O GLY B 20 7.285 -26.321 -0.851 1.00 0.00 O ATOM 0 H GLY B 20 9.494 -22.733 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.555 -24.841 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY B 20 9.621 -25.424 -0.592 1.00 0.00 H new ATOM 623 N GLU B 21 6.765 -24.488 -2.056 1.00 0.00 N ATOM 624 CA GLU B 21 5.344 -24.790 -2.333 1.00 0.00 C ATOM 625 C GLU B 21 4.405 -24.893 -1.104 1.00 0.00 C ATOM 626 O GLU B 21 3.238 -25.276 -1.243 1.00 0.00 O ATOM 627 CB GLU B 21 5.203 -25.995 -3.287 1.00 0.00 C ATOM 628 CG GLU B 21 5.984 -25.846 -4.602 1.00 0.00 C ATOM 629 CD GLU B 21 5.703 -27.029 -5.547 1.00 0.00 C ATOM 630 OE1 GLU B 21 4.732 -26.963 -6.345 1.00 0.00 O ATOM 631 OE2 GLU B 21 6.459 -28.031 -5.512 1.00 0.00 O ATOM 0 H GLU B 21 7.049 -23.586 -2.439 1.00 0.00 H new ATOM 0 HA GLU B 21 4.977 -23.896 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.544 -26.894 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.148 -26.141 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.706 -24.912 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.052 -25.790 -4.391 1.00 0.00 H new ATOM 638 N ARG B 22 4.863 -24.488 0.091 1.00 0.00 N ATOM 639 CA ARG B 22 4.026 -24.390 1.311 1.00 0.00 C ATOM 640 C ARG B 22 2.974 -23.272 1.259 1.00 0.00 C ATOM 641 O ARG B 22 1.979 -23.335 1.983 1.00 0.00 O ATOM 642 CB ARG B 22 4.922 -24.225 2.557 1.00 0.00 C ATOM 643 CG ARG B 22 5.153 -25.548 3.305 1.00 0.00 C ATOM 644 CD ARG B 22 5.940 -26.621 2.539 1.00 0.00 C ATOM 645 NE ARG B 22 7.337 -26.200 2.324 1.00 0.00 N ATOM 646 CZ ARG B 22 8.427 -26.941 2.331 1.00 0.00 C ATOM 647 NH1 ARG B 22 8.412 -28.228 2.549 1.00 0.00 N ATOM 648 NH2 ARG B 22 9.575 -26.369 2.118 1.00 0.00 N ATOM 0 H ARG B 22 5.834 -24.215 0.246 1.00 0.00 H new ATOM 0 HA ARG B 22 3.467 -25.324 1.371 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.884 -23.811 2.255 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.464 -23.505 3.235 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.681 -25.331 4.234 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.183 -25.962 3.579 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.920 -27.558 3.096 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.462 -26.811 1.578 1.00 0.00 H new ATOM 0 HE ARG B 22 7.478 -25.205 2.147 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.528 -28.705 2.725 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.284 -28.756 2.544 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.621 -25.364 1.950 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.430 -26.925 2.119 1.00 0.00 H new ATOM 662 N GLY B 23 3.180 -22.278 0.396 1.00 0.00 N ATOM 663 CA GLY B 23 2.310 -21.110 0.208 1.00 0.00 C ATOM 664 C GLY B 23 2.652 -19.937 1.139 1.00 0.00 C ATOM 665 O GLY B 23 2.977 -20.122 2.313 1.00 0.00 O ATOM 0 H GLY B 23 3.993 -22.261 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.382 -20.776 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.275 -21.407 0.375 1.00 0.00 H new ATOM 669 N PHE B 24 2.612 -18.725 0.581 1.00 0.00 N ATOM 670 CA PHE B 24 3.003 -17.457 1.213 1.00 0.00 C ATOM 671 C PHE B 24 2.432 -16.253 0.435 1.00 0.00 C ATOM 672 O PHE B 24 1.862 -16.414 -0.650 1.00 0.00 O ATOM 673 CB PHE B 24 4.547 -17.352 1.229 1.00 0.00 C ATOM 674 CG PHE B 24 5.167 -17.093 -0.137 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.255 -18.135 -1.076 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.595 -15.798 -0.496 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.745 -17.884 -2.368 1.00 0.00 C ATOM 678 CE2 PHE B 24 6.086 -15.549 -1.793 1.00 0.00 C ATOM 679 CZ PHE B 24 6.167 -16.594 -2.727 1.00 0.00 C ATOM 0 H PHE B 24 2.288 -18.592 -0.377 1.00 0.00 H new ATOM 0 HA PHE B 24 2.606 -17.441 2.228 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.839 -16.550 1.906 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.959 -18.276 1.634 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.945 -19.133 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.546 -14.995 0.225 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.797 -18.687 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.400 -14.553 -2.069 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.553 -16.406 -3.718 1.00 0.00 H new ATOM 689 N PHE B 25 2.622 -15.044 0.970 1.00 0.00 N ATOM 690 CA PHE B 25 2.394 -13.784 0.253 1.00 0.00 C ATOM 691 C PHE B 25 3.381 -12.703 0.732 1.00 0.00 C ATOM 692 O PHE B 25 3.738 -12.653 1.913 1.00 0.00 O ATOM 693 CB PHE B 25 0.927 -13.339 0.384 1.00 0.00 C ATOM 694 CG PHE B 25 0.564 -12.097 -0.419 1.00 0.00 C ATOM 695 CD1 PHE B 25 0.898 -12.003 -1.786 1.00 0.00 C ATOM 696 CD2 PHE B 25 -0.118 -11.029 0.196 1.00 0.00 C ATOM 697 CE1 PHE B 25 0.589 -10.841 -2.518 1.00 0.00 C ATOM 698 CE2 PHE B 25 -0.428 -9.867 -0.534 1.00 0.00 C ATOM 699 CZ PHE B 25 -0.067 -9.769 -1.890 1.00 0.00 C ATOM 0 H PHE B 25 2.944 -14.910 1.929 1.00 0.00 H new ATOM 0 HA PHE B 25 2.583 -13.943 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.283 -14.160 0.068 1.00 0.00 H new ATOM 0 HB3 PHE B 25 0.711 -13.151 1.436 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.394 -12.828 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -0.405 -11.103 1.235 1.00 0.00 H new ATOM 0 HE1 PHE B 25 0.856 -10.774 -3.562 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.944 -9.049 -0.053 1.00 0.00 H new ATOM 0 HZ PHE B 25 -0.294 -8.872 -2.447 1.00 0.00 H new ATOM 709 N TYR B 26 3.825 -11.837 -0.186 1.00 0.00 N ATOM 710 CA TYR B 26 4.891 -10.837 0.011 1.00 0.00 C ATOM 711 C TYR B 26 4.399 -9.477 0.553 1.00 0.00 C ATOM 712 O TYR B 26 5.030 -8.435 0.354 1.00 0.00 O ATOM 713 CB TYR B 26 5.730 -10.741 -1.270 1.00 0.00 C ATOM 714 CG TYR B 26 4.942 -10.485 -2.544 1.00 0.00 C ATOM 715 CD1 TYR B 26 4.554 -9.177 -2.892 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.584 -11.567 -3.376 1.00 0.00 C ATOM 717 CE1 TYR B 26 3.812 -8.947 -4.067 1.00 0.00 C ATOM 718 CE2 TYR B 26 3.841 -11.341 -4.551 1.00 0.00 C ATOM 719 CZ TYR B 26 3.453 -10.030 -4.900 1.00 0.00 C ATOM 720 OH TYR B 26 2.740 -9.821 -6.041 1.00 0.00 O ATOM 0 H TYR B 26 3.437 -11.809 -1.129 1.00 0.00 H new ATOM 0 HA TYR B 26 5.537 -11.183 0.818 1.00 0.00 H new ATOM 0 HB2 TYR B 26 6.461 -9.941 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR B 26 6.290 -11.669 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR B 26 4.826 -8.348 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.881 -12.571 -3.111 1.00 0.00 H new ATOM 0 HE1 TYR B 26 3.517 -7.942 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR B 26 3.568 -12.172 -5.185 1.00 0.00 H new ATOM 0 HH TYR B 26 2.583 -10.678 -6.490 1.00 0.00 H new ATOM 730 N THR B 27 3.270 -9.483 1.262 1.00 0.00 N ATOM 731 CA THR B 27 2.770 -8.333 2.041 1.00 0.00 C ATOM 732 C THR B 27 3.743 -7.967 3.182 1.00 0.00 C ATOM 733 O THR B 27 4.342 -8.874 3.772 1.00 0.00 O ATOM 734 CB THR B 27 1.354 -8.599 2.593 1.00 0.00 C ATOM 735 OG1 THR B 27 0.973 -7.588 3.500 1.00 0.00 O ATOM 736 CG2 THR B 27 1.207 -9.922 3.351 1.00 0.00 C ATOM 0 H THR B 27 2.661 -10.299 1.317 1.00 0.00 H new ATOM 0 HA THR B 27 2.709 -7.482 1.363 1.00 0.00 H new ATOM 0 HB THR B 27 0.725 -8.628 1.703 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.072 -7.774 3.837 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.181 -10.027 3.704 1.00 0.00 H new ATOM 0 HG22 THR B 27 1.449 -10.751 2.686 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.886 -9.930 4.203 1.00 0.00 H new ATOM 744 N PRO B 28 3.896 -6.677 3.556 1.00 0.00 N ATOM 745 CA PRO B 28 4.740 -6.253 4.683 1.00 0.00 C ATOM 746 C PRO B 28 4.398 -6.890 6.045 1.00 0.00 C ATOM 747 O PRO B 28 5.264 -6.918 6.924 1.00 0.00 O ATOM 748 CB PRO B 28 4.599 -4.729 4.751 1.00 0.00 C ATOM 749 CG PRO B 28 4.261 -4.337 3.315 1.00 0.00 C ATOM 750 CD PRO B 28 3.402 -5.506 2.839 1.00 0.00 C ATOM 0 HA PRO B 28 5.760 -6.590 4.498 1.00 0.00 H new ATOM 0 HB2 PRO B 28 3.813 -4.429 5.444 1.00 0.00 H new ATOM 0 HB3 PRO B 28 5.520 -4.256 5.090 1.00 0.00 H new ATOM 0 HG2 PRO B 28 3.719 -3.392 3.270 1.00 0.00 H new ATOM 0 HG3 PRO B 28 5.157 -4.219 2.706 1.00 0.00 H new ATOM 0 HD2 PRO B 28 2.348 -5.331 3.055 1.00 0.00 H new ATOM 0 HD3 PRO B 28 3.488 -5.642 1.761 1.00 0.00 H new ATOM 758 N LYS B 29 3.171 -7.422 6.201 1.00 0.00 N ATOM 759 CA LYS B 29 2.642 -8.161 7.360 1.00 0.00 C ATOM 760 C LYS B 29 2.927 -7.500 8.723 1.00 0.00 C ATOM 761 O LYS B 29 3.066 -6.280 8.802 1.00 0.00 O ATOM 762 CB LYS B 29 2.968 -9.669 7.217 1.00 0.00 C ATOM 763 CG LYS B 29 4.453 -10.094 7.229 1.00 0.00 C ATOM 764 CD LYS B 29 4.628 -11.540 6.734 1.00 0.00 C ATOM 765 CE LYS B 29 4.482 -11.622 5.207 1.00 0.00 C ATOM 766 NZ LYS B 29 4.280 -13.008 4.730 1.00 0.00 N ATOM 0 H LYS B 29 2.472 -7.339 5.463 1.00 0.00 H new ATOM 0 HA LYS B 29 1.554 -8.099 7.353 1.00 0.00 H new ATOM 0 HB2 LYS B 29 2.463 -10.198 8.025 1.00 0.00 H new ATOM 0 HB3 LYS B 29 2.528 -10.019 6.283 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.031 -9.419 6.597 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.851 -10.003 8.240 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.609 -11.913 7.029 1.00 0.00 H new ATOM 0 HD3 LYS B 29 3.886 -12.183 7.209 1.00 0.00 H new ATOM 0 HE2 LYS B 29 3.639 -11.007 4.892 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.373 -11.206 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.922 -12.990 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.185 -13.520 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 3.591 -13.489 5.343 1.00 0.00 H new ATOM 780 N THR B 30 2.874 -8.306 9.783 1.00 0.00 N ATOM 781 CA THR B 30 2.941 -7.953 11.222 1.00 0.00 C ATOM 782 C THR B 30 2.054 -6.768 11.637 1.00 0.00 C ATOM 783 O THR B 30 0.910 -6.982 12.056 1.00 0.00 O ATOM 784 CB THR B 30 4.382 -7.843 11.768 1.00 0.00 C ATOM 785 OG1 THR B 30 5.120 -6.825 11.126 1.00 0.00 O ATOM 786 CG2 THR B 30 5.157 -9.153 11.598 1.00 0.00 C ATOM 0 H THR B 30 2.774 -9.313 9.658 1.00 0.00 H new ATOM 0 HA THR B 30 2.497 -8.816 11.718 1.00 0.00 H new ATOM 0 HB THR B 30 4.271 -7.606 12.826 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.024 -6.789 11.503 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.165 -9.033 11.994 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.647 -9.950 12.138 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.211 -9.409 10.540 1.00 0.00 H new ATOM 794 N LYS B 31 2.546 -5.528 11.515 1.00 0.00 N ATOM 795 CA LYS B 31 1.806 -4.269 11.707 1.00 0.00 C ATOM 796 C LYS B 31 2.078 -3.315 10.532 1.00 0.00 C ATOM 797 O LYS B 31 3.237 -3.075 10.180 1.00 0.00 O ATOM 798 CB LYS B 31 2.190 -3.657 13.067 1.00 0.00 C ATOM 799 CG LYS B 31 1.341 -2.420 13.414 1.00 0.00 C ATOM 800 CD LYS B 31 1.706 -1.808 14.776 1.00 0.00 C ATOM 801 CE LYS B 31 1.372 -2.744 15.949 1.00 0.00 C ATOM 802 NZ LYS B 31 1.666 -2.096 17.255 1.00 0.00 N ATOM 0 H LYS B 31 3.522 -5.365 11.267 1.00 0.00 H new ATOM 0 HA LYS B 31 0.732 -4.457 11.720 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.069 -4.408 13.848 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.244 -3.379 13.053 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.470 -1.667 12.637 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.287 -2.698 13.417 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.771 -1.575 14.793 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.172 -0.866 14.903 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.319 -3.022 15.907 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.949 -3.664 15.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.431 -2.751 18.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.676 -1.853 17.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.097 -1.231 17.349 1.00 0.00 H new ATOM 816 N ARG B 32 1.009 -2.766 9.942 1.00 0.00 N ATOM 817 CA ARG B 32 1.023 -1.901 8.744 1.00 0.00 C ATOM 818 C ARG B 32 0.333 -0.553 9.005 1.00 0.00 C ATOM 819 O ARG B 32 -0.779 -0.546 9.579 1.00 0.00 O ATOM 820 CB ARG B 32 0.380 -2.629 7.546 1.00 0.00 C ATOM 821 CG ARG B 32 1.084 -3.950 7.179 1.00 0.00 C ATOM 822 CD ARG B 32 0.537 -4.572 5.887 1.00 0.00 C ATOM 823 NE ARG B 32 -0.894 -4.913 5.996 1.00 0.00 N ATOM 824 CZ ARG B 32 -1.690 -5.300 5.019 1.00 0.00 C ATOM 825 NH1 ARG B 32 -1.261 -5.530 3.812 1.00 0.00 N ATOM 826 NH2 ARG B 32 -2.960 -5.472 5.238 1.00 0.00 N ATOM 827 OXT ARG B 32 0.920 0.491 8.641 1.00 0.00 O ATOM 0 H ARG B 32 0.065 -2.916 10.299 1.00 0.00 H new ATOM 0 HA ARG B 32 2.064 -1.687 8.502 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.666 -2.835 7.775 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.392 -1.967 6.680 1.00 0.00 H new ATOM 0 HG2 ARG B 32 2.153 -3.768 7.066 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.966 -4.660 7.998 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.681 -3.876 5.061 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.106 -5.471 5.649 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.311 -4.842 6.924 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.272 -5.412 3.591 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.914 -5.828 3.087 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -3.344 -5.307 6.169 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -3.572 -5.771 4.479 1.00 0.00 H new TER 841 ARG B 32