USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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+ 178:sc= 0.519 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.614 K(o=1.1,f=-0.11) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.486 K(o=1.2,f=-1.1) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.681 K(o=1.2,f=-0.45) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.24 (180deg=0.823) USER MOD Single : A 5 GLN : amide:sc= 0.761 K(o=0.76,f=-0.34) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 9 SER OG : rot 90:sc= 1.86 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ -172:sc= 1.25 (180deg=1.18) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.966 -23.966 8.031 1.00 0.00 N ATOM 2 CA GLY A 1 -8.750 -23.511 6.858 1.00 0.00 C ATOM 3 C GLY A 1 -8.082 -22.341 6.148 1.00 0.00 C ATOM 4 O GLY A 1 -7.205 -21.687 6.712 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.258 -24.930 8.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.953 -23.963 7.794 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.136 -23.325 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.871 -24.339 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.749 -23.218 7.181 1.00 0.00 H new ATOM 10 N ILE A 2 -8.484 -22.053 4.904 1.00 0.00 N ATOM 11 CA ILE A 2 -7.782 -21.094 4.021 1.00 0.00 C ATOM 12 C ILE A 2 -7.684 -19.674 4.595 1.00 0.00 C ATOM 13 O ILE A 2 -6.608 -19.084 4.563 1.00 0.00 O ATOM 14 CB ILE A 2 -8.363 -21.134 2.586 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.626 -20.194 1.601 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.890 -20.946 2.513 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.145 -18.754 1.467 1.00 0.00 C ATOM 0 H ILE A 2 -9.307 -22.476 4.474 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.745 -21.426 3.963 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.173 -22.156 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.579 -20.147 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.654 -20.654 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.212 -20.988 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.382 -21.739 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.158 -19.979 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.534 -18.213 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.180 -18.771 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.089 -18.256 2.435 1.00 0.00 H new ATOM 29 N VAL A 3 -8.751 -19.120 5.182 1.00 0.00 N ATOM 30 CA VAL A 3 -8.686 -17.754 5.738 1.00 0.00 C ATOM 31 C VAL A 3 -7.793 -17.687 6.986 1.00 0.00 C ATOM 32 O VAL A 3 -7.081 -16.703 7.147 1.00 0.00 O ATOM 33 CB VAL A 3 -10.088 -17.154 5.961 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.049 -15.765 6.609 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.842 -17.031 4.633 1.00 0.00 C ATOM 0 H VAL A 3 -9.655 -19.581 5.286 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.207 -17.121 4.991 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.597 -17.840 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.066 -15.396 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.559 -15.830 7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.494 -15.080 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.829 -16.605 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.285 -16.382 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.949 -18.018 4.183 1.00 0.00 H new ATOM 45 N GLU A 4 -7.723 -18.739 7.815 1.00 0.00 N ATOM 46 CA GLU A 4 -6.755 -18.811 8.934 1.00 0.00 C ATOM 47 C GLU A 4 -5.304 -18.804 8.423 1.00 0.00 C ATOM 48 O GLU A 4 -4.455 -18.117 8.993 1.00 0.00 O ATOM 49 CB GLU A 4 -6.979 -20.072 9.791 1.00 0.00 C ATOM 50 CG GLU A 4 -8.235 -20.005 10.683 1.00 0.00 C ATOM 51 CD GLU A 4 -8.972 -21.350 10.882 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.973 -21.381 11.637 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.625 -22.378 10.255 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.326 -19.558 7.736 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.922 -17.926 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.058 -20.937 9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.105 -20.231 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.947 -19.618 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.932 -19.288 10.249 1.00 0.00 H new ATOM 60 N GLN A 5 -5.031 -19.501 7.312 1.00 0.00 N ATOM 61 CA GLN A 5 -3.753 -19.422 6.597 1.00 0.00 C ATOM 62 C GLN A 5 -3.474 -17.989 6.098 1.00 0.00 C ATOM 63 O GLN A 5 -2.343 -17.525 6.222 1.00 0.00 O ATOM 64 CB GLN A 5 -3.736 -20.486 5.478 1.00 0.00 C ATOM 65 CG GLN A 5 -2.687 -20.297 4.368 1.00 0.00 C ATOM 66 CD GLN A 5 -1.238 -20.498 4.808 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.923 -21.161 5.788 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.292 -19.966 4.066 1.00 0.00 N ATOM 0 H GLN A 5 -5.698 -20.141 6.881 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.930 -19.647 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.575 -21.462 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.722 -20.510 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.906 -20.995 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.790 -19.292 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.538 -19.411 3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.688 -20.108 4.310 1.00 0.00 H new ATOM 77 N CYS A 6 -4.475 -17.254 5.597 1.00 0.00 N ATOM 78 CA CYS A 6 -4.290 -15.859 5.168 1.00 0.00 C ATOM 79 C CYS A 6 -4.110 -14.873 6.341 1.00 0.00 C ATOM 80 O CYS A 6 -3.406 -13.875 6.193 1.00 0.00 O ATOM 81 CB CYS A 6 -5.437 -15.404 4.256 1.00 0.00 C ATOM 82 SG CYS A 6 -5.855 -16.509 2.879 1.00 0.00 S ATOM 0 H CYS A 6 -5.426 -17.603 5.478 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.357 -15.843 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.328 -15.269 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.181 -14.427 3.845 1.00 0.00 H new ATOM 87 N CYS A 7 -4.689 -15.144 7.518 1.00 0.00 N ATOM 88 CA CYS A 7 -4.486 -14.330 8.724 1.00 0.00 C ATOM 89 C CYS A 7 -3.011 -14.316 9.190 1.00 0.00 C ATOM 90 O CYS A 7 -2.569 -13.329 9.783 1.00 0.00 O ATOM 91 CB CYS A 7 -5.379 -14.853 9.864 1.00 0.00 C ATOM 92 SG CYS A 7 -7.179 -14.842 9.600 1.00 0.00 S ATOM 0 H CYS A 7 -5.314 -15.937 7.661 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.758 -13.306 8.468 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.078 -15.878 10.083 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.167 -14.262 10.755 1.00 0.00 H new ATOM 97 N THR A 8 -2.247 -15.388 8.930 1.00 0.00 N ATOM 98 CA THR A 8 -0.849 -15.558 9.384 1.00 0.00 C ATOM 99 C THR A 8 0.200 -15.482 8.264 1.00 0.00 C ATOM 100 O THR A 8 1.316 -15.019 8.513 1.00 0.00 O ATOM 101 CB THR A 8 -0.682 -16.898 10.125 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.017 -17.983 9.284 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.556 -16.992 11.377 1.00 0.00 C ATOM 0 H THR A 8 -2.587 -16.181 8.386 1.00 0.00 H new ATOM 0 HA THR A 8 -0.665 -14.713 10.048 1.00 0.00 H new ATOM 0 HB THR A 8 0.366 -16.945 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.902 -18.824 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.398 -17.957 11.859 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.289 -16.193 12.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.605 -16.894 11.097 1.00 0.00 H new ATOM 111 N SER A 9 -0.141 -15.901 7.040 1.00 0.00 N ATOM 112 CA SER A 9 0.804 -16.229 5.956 1.00 0.00 C ATOM 113 C SER A 9 0.237 -15.941 4.549 1.00 0.00 C ATOM 114 O SER A 9 -0.869 -15.419 4.393 1.00 0.00 O ATOM 115 CB SER A 9 1.196 -17.714 6.085 1.00 0.00 C ATOM 116 OG SER A 9 1.985 -17.941 7.243 1.00 0.00 O ATOM 0 H SER A 9 -1.115 -16.027 6.763 1.00 0.00 H new ATOM 0 HA SER A 9 1.678 -15.586 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.296 -18.327 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.749 -18.024 5.199 1.00 0.00 H new ATOM 0 HG SER A 9 2.217 -18.891 7.300 1.00 0.00 H new ATOM 122 N ILE A 10 1.022 -16.239 3.506 1.00 0.00 N ATOM 123 CA ILE A 10 0.679 -16.018 2.087 1.00 0.00 C ATOM 124 C ILE A 10 -0.545 -16.822 1.594 1.00 0.00 C ATOM 125 O ILE A 10 -0.861 -17.893 2.121 1.00 0.00 O ATOM 126 CB ILE A 10 1.920 -16.229 1.178 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.849 -17.423 1.501 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.770 -14.947 1.202 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.186 -18.799 1.391 1.00 0.00 C ATOM 0 H ILE A 10 1.946 -16.655 3.626 1.00 0.00 H new ATOM 0 HA ILE A 10 0.369 -14.975 2.014 1.00 0.00 H new ATOM 0 HB ILE A 10 1.494 -16.467 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.705 -17.392 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.236 -17.301 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.646 -15.080 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.177 -14.110 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.089 -14.741 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.913 -19.574 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.348 -18.856 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.824 -18.948 0.374 1.00 0.00 H new ATOM 141 N CYS A 11 -1.225 -16.296 0.565 1.00 0.00 N ATOM 142 CA CYS A 11 -2.452 -16.846 -0.032 1.00 0.00 C ATOM 143 C CYS A 11 -2.581 -16.507 -1.531 1.00 0.00 C ATOM 144 O CYS A 11 -2.403 -15.358 -1.944 1.00 0.00 O ATOM 145 CB CYS A 11 -3.689 -16.333 0.726 1.00 0.00 C ATOM 146 SG CYS A 11 -4.094 -17.286 2.208 1.00 0.00 S ATOM 0 H CYS A 11 -0.922 -15.437 0.105 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.389 -17.931 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.523 -15.294 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.546 -16.347 0.053 1.00 0.00 H new ATOM 151 N SER A 12 -2.978 -17.509 -2.321 1.00 0.00 N ATOM 152 CA SER A 12 -3.091 -17.470 -3.791 1.00 0.00 C ATOM 153 C SER A 12 -4.396 -18.125 -4.265 1.00 0.00 C ATOM 154 O SER A 12 -5.048 -18.840 -3.502 1.00 0.00 O ATOM 155 CB SER A 12 -1.890 -18.190 -4.428 1.00 0.00 C ATOM 156 OG SER A 12 -0.664 -17.582 -4.054 1.00 0.00 O ATOM 0 H SER A 12 -3.244 -18.417 -1.939 1.00 0.00 H new ATOM 0 HA SER A 12 -3.099 -16.425 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.887 -19.236 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.989 -18.175 -5.513 1.00 0.00 H new ATOM 0 HG SER A 12 0.081 -18.062 -4.473 1.00 0.00 H new ATOM 162 N LEU A 13 -4.784 -17.931 -5.532 1.00 0.00 N ATOM 163 CA LEU A 13 -6.042 -18.477 -6.074 1.00 0.00 C ATOM 164 C LEU A 13 -6.071 -20.019 -6.076 1.00 0.00 C ATOM 165 O LEU A 13 -7.138 -20.615 -5.952 1.00 0.00 O ATOM 166 CB LEU A 13 -6.328 -17.906 -7.477 1.00 0.00 C ATOM 167 CG LEU A 13 -6.694 -16.404 -7.491 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.472 -15.499 -7.677 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.664 -16.100 -8.634 1.00 0.00 C ATOM 0 H LEU A 13 -4.241 -17.395 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.841 -18.158 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.450 -18.060 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.144 -18.471 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.146 -16.198 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.789 -14.456 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.770 -15.663 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.987 -15.733 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.911 -15.038 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.199 -16.360 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.574 -16.685 -8.504 1.00 0.00 H new ATOM 181 N TYR A 14 -4.906 -20.673 -6.105 1.00 0.00 N ATOM 182 CA TYR A 14 -4.769 -22.122 -5.904 1.00 0.00 C ATOM 183 C TYR A 14 -5.249 -22.593 -4.511 1.00 0.00 C ATOM 184 O TYR A 14 -5.764 -23.703 -4.378 1.00 0.00 O ATOM 185 CB TYR A 14 -3.298 -22.490 -6.157 1.00 0.00 C ATOM 186 CG TYR A 14 -2.936 -23.959 -6.005 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.830 -24.330 -5.213 1.00 0.00 C ATOM 188 CD2 TYR A 14 -3.671 -24.952 -6.686 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.462 -25.684 -5.095 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.310 -26.308 -6.565 1.00 0.00 C ATOM 191 CZ TYR A 14 -2.203 -26.679 -5.771 1.00 0.00 C ATOM 192 OH TYR A 14 -1.852 -27.991 -5.671 1.00 0.00 O ATOM 0 H TYR A 14 -4.016 -20.204 -6.271 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.419 -22.642 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.035 -22.176 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.678 -21.912 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.262 -23.572 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.513 -24.672 -7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.613 -25.962 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.881 -27.066 -7.081 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.471 -28.537 -6.199 1.00 0.00 H new ATOM 202 N GLN A 15 -5.156 -21.742 -3.478 1.00 0.00 N ATOM 203 CA GLN A 15 -5.743 -22.007 -2.156 1.00 0.00 C ATOM 204 C GLN A 15 -7.246 -21.686 -2.089 1.00 0.00 C ATOM 205 O GLN A 15 -7.963 -22.340 -1.334 1.00 0.00 O ATOM 206 CB GLN A 15 -4.964 -21.272 -1.051 1.00 0.00 C ATOM 207 CG GLN A 15 -3.528 -21.794 -0.863 1.00 0.00 C ATOM 208 CD GLN A 15 -3.435 -23.231 -0.332 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.408 -23.884 0.030 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.244 -23.786 -0.258 1.00 0.00 N ATOM 0 H GLN A 15 -4.670 -20.847 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.654 -23.080 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.928 -20.209 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.504 -21.370 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.008 -21.740 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.002 -21.132 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.419 -23.264 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.146 -24.738 0.094 1.00 0.00 H new ATOM 219 N LEU A 16 -7.762 -20.762 -2.912 1.00 0.00 N ATOM 220 CA LEU A 16 -9.215 -20.618 -3.099 1.00 0.00 C ATOM 221 C LEU A 16 -9.801 -21.885 -3.745 1.00 0.00 C ATOM 222 O LEU A 16 -10.764 -22.447 -3.230 1.00 0.00 O ATOM 223 CB LEU A 16 -9.567 -19.360 -3.920 1.00 0.00 C ATOM 224 CG LEU A 16 -9.058 -18.020 -3.357 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.562 -16.875 -4.237 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.530 -17.764 -1.925 1.00 0.00 C ATOM 0 H LEU A 16 -7.200 -20.107 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.666 -20.491 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.167 -19.484 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.652 -19.303 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.969 -18.072 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.203 -15.926 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.191 -17.007 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.652 -16.875 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.141 -16.806 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.620 -17.744 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.166 -18.559 -1.274 1.00 0.00 H new ATOM 238 N GLU A 17 -9.166 -22.400 -4.802 1.00 0.00 N ATOM 239 CA GLU A 17 -9.510 -23.669 -5.474 1.00 0.00 C ATOM 240 C GLU A 17 -9.433 -24.911 -4.556 1.00 0.00 C ATOM 241 O GLU A 17 -10.020 -25.949 -4.866 1.00 0.00 O ATOM 242 CB GLU A 17 -8.573 -23.869 -6.680 1.00 0.00 C ATOM 243 CG GLU A 17 -8.849 -22.922 -7.860 1.00 0.00 C ATOM 244 CD GLU A 17 -10.097 -23.293 -8.689 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.738 -22.382 -9.262 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.441 -24.490 -8.825 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.369 -21.932 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.551 -23.583 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.543 -23.731 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.661 -24.898 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.968 -21.908 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.979 -22.915 -8.517 1.00 0.00 H new ATOM 253 N ASN A 18 -8.748 -24.821 -3.409 1.00 0.00 N ATOM 254 CA ASN A 18 -8.674 -25.888 -2.402 1.00 0.00 C ATOM 255 C ASN A 18 -10.034 -26.135 -1.698 1.00 0.00 C ATOM 256 O ASN A 18 -10.278 -27.237 -1.202 1.00 0.00 O ATOM 257 CB ASN A 18 -7.550 -25.512 -1.412 1.00 0.00 C ATOM 258 CG ASN A 18 -6.939 -26.671 -0.637 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.334 -27.825 -0.722 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.908 -26.398 0.131 1.00 0.00 N ATOM 0 H ASN A 18 -8.219 -23.988 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.440 -26.838 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.756 -25.010 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.946 -24.790 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.446 -27.145 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.570 -25.439 0.209 1.00 0.00 H new ATOM 267 N TYR A 19 -10.938 -25.140 -1.695 1.00 0.00 N ATOM 268 CA TYR A 19 -12.280 -25.222 -1.086 1.00 0.00 C ATOM 269 C TYR A 19 -13.412 -24.812 -2.045 1.00 0.00 C ATOM 270 O TYR A 19 -14.481 -25.424 -2.029 1.00 0.00 O ATOM 271 CB TYR A 19 -12.293 -24.424 0.227 1.00 0.00 C ATOM 272 CG TYR A 19 -11.284 -24.948 1.236 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.583 -26.104 1.985 1.00 0.00 C ATOM 274 CD2 TYR A 19 -10.016 -24.344 1.356 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.617 -26.659 2.847 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.051 -24.892 2.223 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.349 -26.050 2.972 1.00 0.00 C ATOM 278 OH TYR A 19 -8.408 -26.569 3.808 1.00 0.00 O ATOM 0 H TYR A 19 -10.753 -24.234 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.486 -26.268 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.079 -23.377 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.291 -24.463 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.556 -26.566 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.784 -23.459 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.846 -27.550 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.081 -24.425 2.315 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.596 -26.022 3.766 1.00 0.00 H new ATOM 288 N CYS A 20 -13.168 -23.873 -2.964 1.00 0.00 N ATOM 289 CA CYS A 20 -13.915 -23.728 -4.218 1.00 0.00 C ATOM 290 C CYS A 20 -13.538 -24.881 -5.181 1.00 0.00 C ATOM 291 O CYS A 20 -12.834 -24.679 -6.171 1.00 0.00 O ATOM 292 CB CYS A 20 -13.643 -22.331 -4.802 1.00 0.00 C ATOM 293 SG CYS A 20 -14.539 -21.951 -6.332 1.00 0.00 S ATOM 0 H CYS A 20 -12.430 -23.177 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.989 -23.803 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.902 -21.584 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.574 -22.235 -4.992 1.00 0.00 H new ATOM 298 N GLY A 21 -13.933 -26.113 -4.828 1.00 0.00 N ATOM 299 CA GLY A 21 -13.578 -27.364 -5.522 1.00 0.00 C ATOM 300 C GLY A 21 -14.432 -27.642 -6.757 1.00 0.00 C ATOM 301 O GLY A 21 -13.910 -27.502 -7.886 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.612 -28.015 -6.583 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.533 -26.274 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.530 -27.321 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.679 -28.197 -4.826 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -6.946 -9.095 -3.396 1.00 0.00 N ATOM 308 CA PHE B 1 -6.830 -10.491 -2.894 1.00 0.00 C ATOM 309 C PHE B 1 -5.380 -10.985 -2.768 1.00 0.00 C ATOM 310 O PHE B 1 -4.956 -11.305 -1.660 1.00 0.00 O ATOM 311 CB PHE B 1 -7.686 -11.494 -3.697 1.00 0.00 C ATOM 312 CG PHE B 1 -7.367 -12.941 -3.353 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.723 -13.768 -4.293 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.593 -13.420 -2.047 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.293 -15.053 -3.920 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.164 -14.708 -1.678 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.508 -15.524 -2.614 1.00 0.00 C ATOM 0 H1 PHE B 1 -7.950 -8.841 -3.488 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.485 -8.446 -2.727 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.484 -9.021 -4.325 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.235 -10.448 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.741 -11.302 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.523 -11.333 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.559 -13.415 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.098 -12.795 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -5.794 -15.682 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.339 -15.069 -0.675 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.170 -16.510 -2.331 1.00 0.00 H new ATOM 329 N VAL B 2 -4.633 -11.131 -3.874 1.00 0.00 N ATOM 330 CA VAL B 2 -3.397 -11.946 -3.922 1.00 0.00 C ATOM 331 C VAL B 2 -2.331 -11.531 -2.890 1.00 0.00 C ATOM 332 O VAL B 2 -1.959 -10.360 -2.791 1.00 0.00 O ATOM 333 CB VAL B 2 -2.845 -12.004 -5.365 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.401 -10.645 -5.926 1.00 0.00 C ATOM 335 CG2 VAL B 2 -1.671 -12.978 -5.488 1.00 0.00 C ATOM 0 H VAL B 2 -4.865 -10.689 -4.764 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.674 -12.957 -3.623 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.693 -12.351 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.027 -10.775 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.250 -9.961 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.611 -10.233 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.313 -12.988 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -0.865 -12.661 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -1.998 -13.979 -5.207 1.00 0.00 H new ATOM 345 N ASN B 3 -1.842 -12.506 -2.114 1.00 0.00 N ATOM 346 CA ASN B 3 -0.746 -12.380 -1.142 1.00 0.00 C ATOM 347 C ASN B 3 -0.843 -11.167 -0.186 1.00 0.00 C ATOM 348 O ASN B 3 0.154 -10.491 0.082 1.00 0.00 O ATOM 349 CB ASN B 3 0.608 -12.542 -1.868 1.00 0.00 C ATOM 350 CG ASN B 3 0.804 -13.956 -2.392 1.00 0.00 C ATOM 351 OD1 ASN B 3 0.630 -14.927 -1.673 1.00 0.00 O ATOM 352 ND2 ASN B 3 1.177 -14.129 -3.639 1.00 0.00 N ATOM 0 H ASN B 3 -2.219 -13.453 -2.148 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.841 -13.201 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.662 -11.837 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.419 -12.293 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.320 -15.071 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.324 -13.321 -4.244 1.00 0.00 H new ATOM 359 N GLN B 4 -2.040 -10.908 0.354 1.00 0.00 N ATOM 360 CA GLN B 4 -2.274 -9.933 1.431 1.00 0.00 C ATOM 361 C GLN B 4 -3.142 -10.529 2.555 1.00 0.00 C ATOM 362 O GLN B 4 -4.027 -11.353 2.315 1.00 0.00 O ATOM 363 CB GLN B 4 -2.829 -8.615 0.856 1.00 0.00 C ATOM 364 CG GLN B 4 -4.276 -8.710 0.327 1.00 0.00 C ATOM 365 CD GLN B 4 -4.524 -8.050 -1.033 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.557 -7.440 -1.270 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.651 -8.164 -2.011 1.00 0.00 N ATOM 0 H GLN B 4 -2.892 -11.379 0.050 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.320 -9.690 1.899 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -2.788 -7.849 1.630 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.180 -8.284 0.045 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.550 -9.763 0.256 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.943 -8.255 1.059 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.776 -8.665 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.850 -7.752 -2.923 1.00 0.00 H new ATOM 376 N HIS B 5 -2.866 -10.131 3.798 1.00 0.00 N ATOM 377 CA HIS B 5 -3.301 -10.830 5.019 1.00 0.00 C ATOM 378 C HIS B 5 -4.719 -10.467 5.505 1.00 0.00 C ATOM 379 O HIS B 5 -4.946 -10.263 6.701 1.00 0.00 O ATOM 380 CB HIS B 5 -2.225 -10.669 6.109 1.00 0.00 C ATOM 381 CG HIS B 5 -0.842 -11.094 5.669 1.00 0.00 C ATOM 382 ND1 HIS B 5 0.042 -10.325 4.902 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.267 -12.305 5.920 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.131 -11.091 4.718 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.975 -12.282 5.322 1.00 0.00 N ATOM 0 H HIS B 5 -2.320 -9.292 3.994 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.398 -11.886 4.768 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.192 -9.626 6.422 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.515 -11.255 6.982 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.700 -13.122 6.478 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.008 -10.792 4.163 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.659 -13.039 5.335 1.00 0.00 H new ATOM 393 N LEU B 6 -5.686 -10.368 4.586 1.00 0.00 N ATOM 394 CA LEU B 6 -7.104 -10.153 4.917 1.00 0.00 C ATOM 395 C LEU B 6 -7.638 -11.367 5.710 1.00 0.00 C ATOM 396 O LEU B 6 -7.356 -12.518 5.368 1.00 0.00 O ATOM 397 CB LEU B 6 -7.896 -9.871 3.618 1.00 0.00 C ATOM 398 CG LEU B 6 -9.138 -8.956 3.712 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.237 -9.456 4.650 1.00 0.00 C ATOM 400 CD2 LEU B 6 -8.777 -7.527 4.127 1.00 0.00 C ATOM 0 H LEU B 6 -5.508 -10.435 3.584 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.227 -9.281 5.559 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.209 -9.429 2.897 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -8.216 -10.828 3.207 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.533 -8.974 2.696 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.066 -8.748 4.649 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.591 -10.429 4.310 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -9.839 -9.548 5.661 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -9.683 -6.923 4.179 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.295 -7.543 5.105 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.096 -7.096 3.393 1.00 0.00 H new ATOM 412 N CYS B 7 -8.377 -11.107 6.790 1.00 0.00 N ATOM 413 CA CYS B 7 -8.739 -12.088 7.817 1.00 0.00 C ATOM 414 C CYS B 7 -10.214 -11.945 8.256 1.00 0.00 C ATOM 415 O CYS B 7 -10.790 -10.855 8.187 1.00 0.00 O ATOM 416 CB CYS B 7 -7.736 -11.912 8.971 1.00 0.00 C ATOM 417 SG CYS B 7 -7.860 -13.077 10.352 1.00 0.00 S ATOM 0 H CYS B 7 -8.753 -10.178 6.981 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.674 -13.105 7.430 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.729 -11.981 8.559 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.849 -10.903 9.368 1.00 0.00 H new ATOM 422 N GLY B 8 -10.832 -13.045 8.705 1.00 0.00 N ATOM 423 CA GLY B 8 -12.270 -13.132 9.013 1.00 0.00 C ATOM 424 C GLY B 8 -13.169 -13.299 7.775 1.00 0.00 C ATOM 425 O GLY B 8 -12.690 -13.314 6.636 1.00 0.00 O ATOM 0 H GLY B 8 -10.336 -13.921 8.869 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.436 -13.973 9.686 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.571 -12.232 9.549 1.00 0.00 H new ATOM 429 N SER B 9 -14.483 -13.437 7.988 1.00 0.00 N ATOM 430 CA SER B 9 -15.447 -13.834 6.940 1.00 0.00 C ATOM 431 C SER B 9 -15.546 -12.910 5.725 1.00 0.00 C ATOM 432 O SER B 9 -16.054 -13.345 4.695 1.00 0.00 O ATOM 433 CB SER B 9 -16.853 -14.050 7.511 1.00 0.00 C ATOM 434 OG SER B 9 -17.484 -12.826 7.865 1.00 0.00 O ATOM 0 H SER B 9 -14.916 -13.276 8.897 1.00 0.00 H new ATOM 0 HA SER B 9 -15.025 -14.770 6.573 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.465 -14.573 6.776 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.792 -14.692 8.390 1.00 0.00 H new ATOM 0 HG SER B 9 -17.982 -12.480 7.095 1.00 0.00 H new ATOM 440 N HIS B 10 -15.009 -11.686 5.755 1.00 0.00 N ATOM 441 CA HIS B 10 -14.924 -10.852 4.548 1.00 0.00 C ATOM 442 C HIS B 10 -14.089 -11.495 3.431 1.00 0.00 C ATOM 443 O HIS B 10 -14.404 -11.273 2.263 1.00 0.00 O ATOM 444 CB HIS B 10 -14.448 -9.437 4.899 1.00 0.00 C ATOM 445 CG HIS B 10 -15.613 -8.536 5.232 1.00 0.00 C ATOM 446 ND1 HIS B 10 -16.168 -7.587 4.366 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.409 -8.639 6.336 1.00 0.00 C ATOM 448 CE1 HIS B 10 -17.276 -7.131 4.975 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.442 -7.743 6.160 1.00 0.00 N ATOM 0 H HIS B 10 -14.628 -11.251 6.596 1.00 0.00 H new ATOM 0 HA HIS B 10 -15.931 -10.772 4.140 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.764 -9.480 5.747 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -13.890 -9.020 4.061 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -16.259 -9.294 7.182 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -17.938 -6.380 4.570 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.203 -7.573 6.818 1.00 0.00 H new ATOM 457 N LEU B 11 -13.110 -12.359 3.743 1.00 0.00 N ATOM 458 CA LEU B 11 -12.424 -13.169 2.724 1.00 0.00 C ATOM 459 C LEU B 11 -13.199 -14.444 2.319 1.00 0.00 C ATOM 460 O LEU B 11 -12.925 -14.993 1.259 1.00 0.00 O ATOM 461 CB LEU B 11 -10.960 -13.417 3.143 1.00 0.00 C ATOM 462 CG LEU B 11 -10.081 -14.134 2.094 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.100 -13.473 0.712 1.00 0.00 C ATOM 464 CD2 LEU B 11 -8.623 -14.137 2.555 1.00 0.00 C ATOM 0 H LEU B 11 -12.776 -12.515 4.694 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.399 -12.595 1.798 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.501 -12.458 3.382 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.957 -14.008 4.059 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.499 -15.137 2.006 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.459 -14.034 0.032 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.120 -13.465 0.327 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.734 -12.449 0.793 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.007 -14.644 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.277 -13.110 2.674 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.544 -14.659 3.509 1.00 0.00 H new ATOM 476 N VAL B 12 -14.216 -14.882 3.073 1.00 0.00 N ATOM 477 CA VAL B 12 -15.203 -15.885 2.606 1.00 0.00 C ATOM 478 C VAL B 12 -16.220 -15.235 1.660 1.00 0.00 C ATOM 479 O VAL B 12 -16.493 -15.739 0.572 1.00 0.00 O ATOM 480 CB VAL B 12 -15.930 -16.570 3.785 1.00 0.00 C ATOM 481 CG1 VAL B 12 -16.997 -17.567 3.317 1.00 0.00 C ATOM 482 CG2 VAL B 12 -14.943 -17.328 4.671 1.00 0.00 C ATOM 0 H VAL B 12 -14.384 -14.556 4.025 1.00 0.00 H new ATOM 0 HA VAL B 12 -14.654 -16.656 2.065 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.411 -15.767 4.343 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.477 -18.020 4.184 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -17.745 -17.046 2.719 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.529 -18.345 2.714 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.481 -17.801 5.493 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.437 -18.092 4.081 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.206 -16.633 5.072 1.00 0.00 H new ATOM 492 N GLU B 13 -16.748 -14.075 2.046 1.00 0.00 N ATOM 493 CA GLU B 13 -17.723 -13.297 1.276 1.00 0.00 C ATOM 494 C GLU B 13 -17.121 -12.780 -0.043 1.00 0.00 C ATOM 495 O GLU B 13 -17.770 -12.857 -1.088 1.00 0.00 O ATOM 496 CB GLU B 13 -18.253 -12.147 2.153 1.00 0.00 C ATOM 497 CG GLU B 13 -19.065 -12.654 3.362 1.00 0.00 C ATOM 498 CD GLU B 13 -19.202 -11.588 4.469 1.00 0.00 C ATOM 499 OE1 GLU B 13 -19.664 -10.458 4.174 1.00 0.00 O ATOM 500 OE2 GLU B 13 -18.888 -11.889 5.649 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.502 -13.634 2.932 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.556 -13.942 0.998 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.414 -11.548 2.508 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -18.879 -11.491 1.548 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.058 -12.956 3.028 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.583 -13.541 3.773 1.00 0.00 H new ATOM 507 N ALA B 14 -15.855 -12.340 -0.035 1.00 0.00 N ATOM 508 CA ALA B 14 -15.108 -12.021 -1.252 1.00 0.00 C ATOM 509 C ALA B 14 -14.787 -13.270 -2.096 1.00 0.00 C ATOM 510 O ALA B 14 -14.867 -13.201 -3.317 1.00 0.00 O ATOM 511 CB ALA B 14 -13.831 -11.261 -0.876 1.00 0.00 C ATOM 0 H ALA B 14 -15.321 -12.196 0.822 1.00 0.00 H new ATOM 0 HA ALA B 14 -15.737 -11.390 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.271 -11.021 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.095 -10.339 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.217 -11.881 -0.223 1.00 0.00 H new ATOM 517 N LEU B 15 -14.489 -14.424 -1.488 1.00 0.00 N ATOM 518 CA LEU B 15 -14.259 -15.700 -2.190 1.00 0.00 C ATOM 519 C LEU B 15 -15.503 -16.151 -2.984 1.00 0.00 C ATOM 520 O LEU B 15 -15.368 -16.549 -4.144 1.00 0.00 O ATOM 521 CB LEU B 15 -13.701 -16.696 -1.146 1.00 0.00 C ATOM 522 CG LEU B 15 -13.688 -18.221 -1.351 1.00 0.00 C ATOM 523 CD1 LEU B 15 -14.983 -18.858 -0.851 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.370 -18.694 -2.768 1.00 0.00 C ATOM 0 H LEU B 15 -14.398 -14.503 -0.475 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.513 -15.612 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -12.668 -16.402 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.252 -16.515 -0.223 1.00 0.00 H new ATOM 0 HG LEU B 15 -12.849 -18.563 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.943 -19.936 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.103 -18.652 0.213 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.828 -18.442 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.387 -19.783 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.114 -18.299 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.381 -18.338 -3.057 1.00 0.00 H new ATOM 536 N TYR B 16 -16.717 -15.966 -2.452 1.00 0.00 N ATOM 537 CA TYR B 16 -17.966 -16.165 -3.209 1.00 0.00 C ATOM 538 C TYR B 16 -18.135 -15.225 -4.420 1.00 0.00 C ATOM 539 O TYR B 16 -18.814 -15.602 -5.376 1.00 0.00 O ATOM 540 CB TYR B 16 -19.182 -16.083 -2.271 1.00 0.00 C ATOM 541 CG TYR B 16 -19.384 -17.308 -1.392 1.00 0.00 C ATOM 542 CD1 TYR B 16 -19.664 -18.555 -1.987 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.339 -17.203 0.013 1.00 0.00 C ATOM 544 CE1 TYR B 16 -19.872 -19.697 -1.189 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.559 -18.340 0.815 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.816 -19.592 0.218 1.00 0.00 C ATOM 547 OH TYR B 16 -20.023 -20.686 1.002 1.00 0.00 O ATOM 0 H TYR B 16 -16.865 -15.674 -1.486 1.00 0.00 H new ATOM 0 HA TYR B 16 -17.900 -17.167 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.074 -15.207 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.079 -15.930 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -19.719 -18.635 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.135 -16.249 0.476 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.074 -20.651 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.531 -18.253 1.891 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.946 -20.432 1.945 1.00 0.00 H new ATOM 557 N LEU B 17 -17.502 -14.046 -4.434 1.00 0.00 N ATOM 558 CA LEU B 17 -17.479 -13.141 -5.595 1.00 0.00 C ATOM 559 C LEU B 17 -16.314 -13.436 -6.563 1.00 0.00 C ATOM 560 O LEU B 17 -16.488 -13.351 -7.780 1.00 0.00 O ATOM 561 CB LEU B 17 -17.439 -11.679 -5.104 1.00 0.00 C ATOM 562 CG LEU B 17 -18.650 -11.250 -4.249 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.427 -9.836 -3.710 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.958 -11.255 -5.045 1.00 0.00 C ATOM 0 H LEU B 17 -16.985 -13.687 -3.632 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.391 -13.310 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.530 -11.531 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.373 -11.021 -5.971 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.736 -11.973 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.284 -9.537 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.527 -9.819 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.310 -9.143 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.779 -10.946 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.876 -10.563 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.151 -12.260 -5.421 1.00 0.00 H new ATOM 576 N VAL B 18 -15.136 -13.795 -6.039 1.00 0.00 N ATOM 577 CA VAL B 18 -13.902 -14.058 -6.803 1.00 0.00 C ATOM 578 C VAL B 18 -13.960 -15.396 -7.548 1.00 0.00 C ATOM 579 O VAL B 18 -13.703 -15.428 -8.753 1.00 0.00 O ATOM 580 CB VAL B 18 -12.664 -13.977 -5.878 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.373 -14.509 -6.517 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.393 -12.520 -5.473 1.00 0.00 C ATOM 0 H VAL B 18 -15.007 -13.916 -5.034 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.812 -13.282 -7.563 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.912 -14.604 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.551 -14.418 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.505 -15.557 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.145 -13.930 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.519 -12.480 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.209 -11.922 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.259 -12.123 -4.943 1.00 0.00 H new ATOM 592 N CYS B 19 -14.305 -16.495 -6.865 1.00 0.00 N ATOM 593 CA CYS B 19 -14.390 -17.819 -7.494 1.00 0.00 C ATOM 594 C CYS B 19 -15.740 -18.033 -8.215 1.00 0.00 C ATOM 595 O CYS B 19 -15.785 -18.605 -9.304 1.00 0.00 O ATOM 596 CB CYS B 19 -14.072 -18.903 -6.454 1.00 0.00 C ATOM 597 SG CYS B 19 -13.475 -20.447 -7.196 1.00 0.00 S ATOM 0 H CYS B 19 -14.531 -16.492 -5.870 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.640 -17.890 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.320 -18.525 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.968 -19.111 -5.869 1.00 0.00 H new ATOM 602 N GLY B 20 -16.832 -17.491 -7.659 1.00 0.00 N ATOM 603 CA GLY B 20 -18.128 -17.288 -8.325 1.00 0.00 C ATOM 604 C GLY B 20 -19.011 -18.524 -8.567 1.00 0.00 C ATOM 605 O GLY B 20 -20.145 -18.580 -8.088 1.00 0.00 O ATOM 0 H GLY B 20 -16.838 -17.168 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.702 -16.577 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.939 -16.817 -9.290 1.00 0.00 H new ATOM 609 N GLU B 21 -18.547 -19.475 -9.379 1.00 0.00 N ATOM 610 CA GLU B 21 -19.419 -20.362 -10.175 1.00 0.00 C ATOM 611 C GLU B 21 -20.027 -21.572 -9.431 1.00 0.00 C ATOM 612 O GLU B 21 -21.249 -21.744 -9.416 1.00 0.00 O ATOM 613 CB GLU B 21 -18.742 -20.814 -11.497 1.00 0.00 C ATOM 614 CG GLU B 21 -17.262 -20.457 -11.749 1.00 0.00 C ATOM 615 CD GLU B 21 -16.251 -21.253 -10.896 1.00 0.00 C ATOM 616 OE1 GLU B 21 -15.059 -21.328 -11.275 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.629 -21.847 -9.860 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.552 -19.658 -9.509 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.272 -19.723 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.832 -21.899 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.324 -20.400 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -17.037 -20.622 -12.803 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.121 -19.393 -11.556 1.00 0.00 H new ATOM 624 N ARG B 22 -19.183 -22.448 -8.872 1.00 0.00 N ATOM 625 CA ARG B 22 -19.525 -23.844 -8.524 1.00 0.00 C ATOM 626 C ARG B 22 -20.547 -24.045 -7.396 1.00 0.00 C ATOM 627 O ARG B 22 -21.339 -24.987 -7.469 1.00 0.00 O ATOM 628 CB ARG B 22 -18.213 -24.584 -8.194 1.00 0.00 C ATOM 629 CG ARG B 22 -17.551 -25.157 -9.459 1.00 0.00 C ATOM 630 CD ARG B 22 -16.062 -25.449 -9.241 1.00 0.00 C ATOM 631 NE ARG B 22 -15.259 -24.232 -9.427 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.947 -24.117 -9.411 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.147 -25.093 -9.103 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.414 -22.982 -9.735 1.00 0.00 N ATOM 0 H ARG B 22 -18.219 -22.206 -8.641 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.035 -24.252 -9.397 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.523 -23.900 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.417 -25.392 -7.492 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.062 -26.074 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.666 -24.451 -10.281 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.907 -25.842 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.732 -26.218 -9.939 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.782 -23.371 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.528 -26.007 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.138 -24.946 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.009 -22.196 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.400 -22.874 -9.728 1.00 0.00 H new ATOM 648 N GLY B 23 -20.519 -23.213 -6.352 1.00 0.00 N ATOM 649 CA GLY B 23 -21.097 -23.541 -5.038 1.00 0.00 C ATOM 650 C GLY B 23 -20.196 -24.537 -4.289 1.00 0.00 C ATOM 651 O GLY B 23 -19.942 -25.646 -4.764 1.00 0.00 O ATOM 0 H GLY B 23 -20.093 -22.287 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.214 -22.632 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.092 -23.967 -5.167 1.00 0.00 H new ATOM 655 N PHE B 24 -19.613 -24.100 -3.171 1.00 0.00 N ATOM 656 CA PHE B 24 -18.287 -24.575 -2.745 1.00 0.00 C ATOM 657 C PHE B 24 -18.296 -25.670 -1.666 1.00 0.00 C ATOM 658 O PHE B 24 -19.278 -25.876 -0.949 1.00 0.00 O ATOM 659 CB PHE B 24 -17.441 -23.361 -2.329 1.00 0.00 C ATOM 660 CG PHE B 24 -17.373 -22.213 -3.329 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.092 -20.926 -2.845 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.592 -22.395 -4.713 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.064 -19.832 -3.721 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.623 -21.288 -5.580 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.368 -20.004 -5.079 1.00 0.00 C ATOM 0 H PHE B 24 -20.035 -23.418 -2.541 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.839 -25.078 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.836 -22.974 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.425 -23.703 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -16.897 -20.778 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.736 -23.390 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -16.807 -18.852 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.843 -21.427 -6.628 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.406 -19.149 -5.738 1.00 0.00 H new ATOM 675 N PHE B 25 -17.160 -26.361 -1.542 1.00 0.00 N ATOM 676 CA PHE B 25 -16.914 -27.497 -0.648 1.00 0.00 C ATOM 677 C PHE B 25 -16.313 -27.053 0.706 1.00 0.00 C ATOM 678 O PHE B 25 -15.408 -27.690 1.251 1.00 0.00 O ATOM 679 CB PHE B 25 -16.055 -28.523 -1.413 1.00 0.00 C ATOM 680 CG PHE B 25 -16.056 -29.927 -0.834 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.175 -30.761 -1.029 1.00 0.00 C ATOM 682 CD2 PHE B 25 -14.939 -30.417 -0.129 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.179 -32.072 -0.519 1.00 0.00 C ATOM 684 CE2 PHE B 25 -14.945 -31.727 0.385 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.064 -32.555 0.190 1.00 0.00 C ATOM 0 H PHE B 25 -16.336 -26.128 -2.097 1.00 0.00 H new ATOM 0 HA PHE B 25 -17.853 -27.975 -0.370 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.408 -28.572 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.027 -28.161 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.033 -30.392 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.075 -29.785 0.017 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.038 -32.708 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.089 -32.097 0.930 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.068 -33.561 0.584 1.00 0.00 H new ATOM 695 N TYR B 26 -16.778 -25.922 1.252 1.00 0.00 N ATOM 696 CA TYR B 26 -16.318 -25.409 2.549 1.00 0.00 C ATOM 697 C TYR B 26 -16.691 -26.396 3.674 1.00 0.00 C ATOM 698 O TYR B 26 -17.861 -26.760 3.828 1.00 0.00 O ATOM 699 CB TYR B 26 -16.877 -23.994 2.806 1.00 0.00 C ATOM 700 CG TYR B 26 -15.808 -22.963 3.125 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.945 -23.164 4.221 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.661 -21.813 2.323 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.928 -22.235 4.509 1.00 0.00 C ATOM 704 CE2 TYR B 26 -14.648 -20.878 2.610 1.00 0.00 C ATOM 705 CZ TYR B 26 -13.775 -21.092 3.697 1.00 0.00 C ATOM 706 OH TYR B 26 -12.786 -20.199 3.959 1.00 0.00 O ATOM 0 H TYR B 26 -17.484 -25.336 0.807 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.231 -25.324 2.534 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -17.433 -23.668 1.927 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.585 -24.038 3.633 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -15.065 -24.038 4.845 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.326 -21.649 1.488 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.268 -22.397 5.348 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -14.539 -19.996 1.997 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.821 -19.471 3.304 1.00 0.00 H new ATOM 716 N THR B 27 -15.692 -26.860 4.435 1.00 0.00 N ATOM 717 CA THR B 27 -15.839 -27.956 5.414 1.00 0.00 C ATOM 718 C THR B 27 -14.987 -27.859 6.704 1.00 0.00 C ATOM 719 O THR B 27 -15.495 -28.299 7.743 1.00 0.00 O ATOM 720 CB THR B 27 -15.690 -29.317 4.699 1.00 0.00 C ATOM 721 OG1 THR B 27 -16.062 -30.375 5.557 1.00 0.00 O ATOM 722 CG2 THR B 27 -14.283 -29.631 4.187 1.00 0.00 C ATOM 0 H THR B 27 -14.745 -26.483 4.391 1.00 0.00 H new ATOM 0 HA THR B 27 -16.849 -27.853 5.811 1.00 0.00 H new ATOM 0 HB THR B 27 -16.348 -29.231 3.834 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.962 -31.229 5.086 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.282 -30.607 3.701 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.978 -28.868 3.470 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.585 -29.642 5.024 1.00 0.00 H new ATOM 730 N PRO B 28 -13.768 -27.259 6.757 1.00 0.00 N ATOM 731 CA PRO B 28 -13.049 -27.049 8.023 1.00 0.00 C ATOM 732 C PRO B 28 -13.631 -25.832 8.773 1.00 0.00 C ATOM 733 O PRO B 28 -13.028 -24.754 8.819 1.00 0.00 O ATOM 734 CB PRO B 28 -11.579 -26.897 7.623 1.00 0.00 C ATOM 735 CG PRO B 28 -11.670 -26.181 6.279 1.00 0.00 C ATOM 736 CD PRO B 28 -12.946 -26.751 5.658 1.00 0.00 C ATOM 0 HA PRO B 28 -13.153 -27.874 8.727 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -11.018 -26.315 8.355 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -11.081 -27.863 7.535 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.732 -25.100 6.403 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.797 -26.381 5.658 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.480 -25.982 5.101 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.709 -27.548 4.954 1.00 0.00 H new ATOM 744 N LYS B 29 -14.846 -26.003 9.316 1.00 0.00 N ATOM 745 CA LYS B 29 -15.839 -24.937 9.574 1.00 0.00 C ATOM 746 C LYS B 29 -16.188 -24.155 8.288 1.00 0.00 C ATOM 747 O LYS B 29 -15.683 -24.457 7.205 1.00 0.00 O ATOM 748 CB LYS B 29 -15.404 -23.994 10.724 1.00 0.00 C ATOM 749 CG LYS B 29 -14.919 -24.656 12.032 1.00 0.00 C ATOM 750 CD LYS B 29 -13.405 -24.917 12.159 1.00 0.00 C ATOM 751 CE LYS B 29 -12.575 -23.640 11.951 1.00 0.00 C ATOM 752 NZ LYS B 29 -11.128 -23.854 12.204 1.00 0.00 N1+ ATOM 0 H LYS B 29 -15.182 -26.923 9.601 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.751 -25.432 9.906 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.604 -23.354 10.352 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.246 -23.345 10.965 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.226 -24.025 12.866 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.438 -25.608 12.144 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.191 -25.331 13.145 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.105 -25.666 11.427 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.713 -23.283 10.930 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.945 -22.858 12.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.633 -22.940 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.000 -24.296 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.735 -24.477 11.469 1.00 0.00 H new ATOM 766 N THR B 30 -17.022 -23.123 8.411 1.00 0.00 N ATOM 767 CA THR B 30 -17.002 -21.955 7.506 1.00 0.00 C ATOM 768 C THR B 30 -16.351 -20.791 8.259 1.00 0.00 C ATOM 769 O THR B 30 -16.644 -20.571 9.437 1.00 0.00 O ATOM 770 CB THR B 30 -18.404 -21.595 6.988 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.961 -22.707 6.316 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.375 -20.437 5.987 1.00 0.00 C ATOM 0 H THR B 30 -17.734 -23.065 9.139 1.00 0.00 H new ATOM 0 HA THR B 30 -16.421 -22.192 6.615 1.00 0.00 H new ATOM 0 HB THR B 30 -18.993 -21.305 7.858 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.855 -22.477 5.988 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.389 -20.221 5.651 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.955 -19.552 6.466 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.760 -20.712 5.130 1.00 0.00 H new ATOM 780 N ARG B 31 -15.412 -20.080 7.623 1.00 0.00 N ATOM 781 CA ARG B 31 -14.471 -19.171 8.307 1.00 0.00 C ATOM 782 C ARG B 31 -15.102 -17.844 8.773 1.00 0.00 C ATOM 783 O ARG B 31 -15.152 -16.868 8.027 1.00 0.00 O ATOM 784 CB ARG B 31 -13.233 -18.979 7.407 1.00 0.00 C ATOM 785 CG ARG B 31 -12.192 -20.099 7.597 1.00 0.00 C ATOM 786 CD ARG B 31 -11.118 -19.823 8.665 1.00 0.00 C ATOM 787 NE ARG B 31 -11.639 -19.683 10.040 1.00 0.00 N ATOM 788 CZ ARG B 31 -12.061 -18.583 10.635 1.00 0.00 C ATOM 789 NH1 ARG B 31 -12.031 -17.411 10.077 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.581 -18.611 11.821 1.00 0.00 N ATOM 0 H ARG B 31 -15.279 -20.116 6.612 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.164 -19.636 9.244 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.546 -18.951 6.363 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.772 -18.016 7.628 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.715 -21.018 7.860 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.695 -20.277 6.643 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.390 -20.634 8.647 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.585 -18.910 8.398 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.677 -20.538 10.596 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.667 -17.306 9.130 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.371 -16.595 10.586 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.672 -19.498 12.317 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.899 -17.747 12.259 1.00 0.00 H new ATOM 804 N ARG B 32 -15.530 -17.816 10.041 1.00 0.00 N ATOM 805 CA ARG B 32 -15.963 -16.640 10.829 1.00 0.00 C ATOM 806 C ARG B 32 -14.817 -15.658 11.099 1.00 0.00 C ATOM 807 O ARG B 32 -14.965 -14.476 10.718 1.00 0.00 O ATOM 808 CB ARG B 32 -16.656 -17.162 12.109 1.00 0.00 C ATOM 809 CG ARG B 32 -16.761 -16.243 13.344 1.00 0.00 C ATOM 810 CD ARG B 32 -17.244 -14.799 13.141 1.00 0.00 C ATOM 811 NE ARG B 32 -18.437 -14.689 12.279 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.533 -13.984 11.167 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.513 -13.396 10.624 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.671 -13.863 10.551 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.791 -16.078 11.680 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.590 -18.674 10.589 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.678 -16.046 10.259 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.669 -17.458 11.835 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -16.132 -18.067 12.418 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.433 -16.721 14.057 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.777 -16.201 13.812 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.467 -14.360 14.113 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.436 -14.213 12.704 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.266 -15.207 12.570 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.592 -13.469 11.057 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.631 -12.861 9.764 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.505 -14.316 10.926 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.731 -13.315 9.693 1.00 0.00 H new TER 829 ARG B 32