USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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: A 38 THR OG1 : rot 165:sc= 0.396 USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.366 USER MOD Set 2.1: A 16 TYR OH : rot -144:sc= 0.0756 USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 23 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -3.56! C(o=-3.6!,f=-3.9!) USER MOD Single : A 39 THR OG1 : rot -130:sc= -0.117 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 34:sc= 0.0153 USER MOD Single : A 57 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.8!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.020 6.413 -6.874 1.00 0.00 N ATOM 60 CA GLY A 7 -5.332 5.443 -6.038 1.00 0.00 C ATOM 61 C GLY A 7 -4.395 6.140 -5.049 1.00 0.00 C ATOM 62 O GLY A 7 -4.235 7.358 -5.092 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.062 4.844 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.761 4.757 -6.664 1.00 0.00 H new ATOM 66 N GLU A 8 -3.800 5.335 -4.181 1.00 0.00 N ATOM 67 CA GLU A 8 -2.883 5.859 -3.182 1.00 0.00 C ATOM 68 C GLU A 8 -1.513 5.191 -3.318 1.00 0.00 C ATOM 69 O GLU A 8 -1.407 3.967 -3.261 1.00 0.00 O ATOM 70 CB GLU A 8 -3.445 5.675 -1.771 1.00 0.00 C ATOM 71 CG GLU A 8 -4.381 6.827 -1.399 1.00 0.00 C ATOM 72 CD GLU A 8 -3.764 7.702 -0.306 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.474 7.142 0.773 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.597 8.912 -0.575 1.00 0.00 O ATOM 0 H GLU A 8 -3.935 4.324 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.763 6.929 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.984 4.730 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.626 5.621 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.587 7.432 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.336 6.429 -1.056 1.00 0.00 H new ATOM 81 N GLU A 9 -0.499 6.025 -3.495 1.00 0.00 N ATOM 82 CA GLU A 9 0.860 5.531 -3.639 1.00 0.00 C ATOM 83 C GLU A 9 1.488 5.297 -2.264 1.00 0.00 C ATOM 84 O GLU A 9 1.979 6.233 -1.634 1.00 0.00 O ATOM 85 CB GLU A 9 1.708 6.493 -4.473 1.00 0.00 C ATOM 86 CG GLU A 9 2.090 5.866 -5.815 1.00 0.00 C ATOM 87 CD GLU A 9 1.877 6.855 -6.963 1.00 0.00 C ATOM 88 OE1 GLU A 9 0.697 7.164 -7.235 1.00 0.00 O ATOM 89 OE2 GLU A 9 2.900 7.280 -7.542 1.00 0.00 O ATOM 0 H GLU A 9 -0.591 7.040 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 9 0.825 4.578 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.155 7.416 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.610 6.759 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.133 5.552 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.492 4.971 -5.986 1.00 0.00 H new ATOM 96 N PHE A 10 1.453 4.042 -1.838 1.00 0.00 N ATOM 97 CA PHE A 10 2.013 3.673 -0.549 1.00 0.00 C ATOM 98 C PHE A 10 3.414 3.078 -0.710 1.00 0.00 C ATOM 99 O PHE A 10 3.768 2.597 -1.785 1.00 0.00 O ATOM 100 CB PHE A 10 1.088 2.615 0.054 1.00 0.00 C ATOM 101 CG PHE A 10 -0.019 3.188 0.941 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.130 3.731 0.375 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.108 3.155 2.294 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.158 4.263 1.198 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.919 3.688 3.117 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.031 4.230 2.552 1.00 0.00 C ATOM 0 H PHE A 10 1.045 3.268 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 10 2.093 4.554 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.632 2.043 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.685 1.917 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.231 3.758 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.990 2.723 2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.041 4.694 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.817 3.663 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.813 4.634 3.178 1.00 0.00 H new ATOM 116 N VAL A 11 4.172 3.130 0.375 1.00 0.00 N ATOM 117 CA VAL A 11 5.526 2.602 0.368 1.00 0.00 C ATOM 118 C VAL A 11 5.609 1.412 1.326 1.00 0.00 C ATOM 119 O VAL A 11 5.089 1.469 2.439 1.00 0.00 O ATOM 120 CB VAL A 11 6.522 3.712 0.706 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.762 3.144 1.400 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.909 4.502 -0.546 1.00 0.00 C ATOM 0 H VAL A 11 3.875 3.530 1.265 1.00 0.00 H new ATOM 0 HA VAL A 11 5.790 2.239 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 11 6.035 4.399 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.454 3.954 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.466 2.647 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.250 2.425 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.618 5.285 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.367 3.831 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.018 4.954 -0.981 1.00 0.00 H new ATOM 132 N ALA A 12 6.268 0.362 0.859 1.00 0.00 N ATOM 133 CA ALA A 12 6.426 -0.840 1.660 1.00 0.00 C ATOM 134 C ALA A 12 7.412 -0.563 2.797 1.00 0.00 C ATOM 135 O ALA A 12 8.575 -0.248 2.552 1.00 0.00 O ATOM 136 CB ALA A 12 6.878 -1.995 0.764 1.00 0.00 C ATOM 0 H ALA A 12 6.699 0.319 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 12 5.476 -1.130 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.997 -2.897 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.130 -2.170 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.830 -1.742 0.297 1.00 0.00 H new ATOM 142 N ILE A 13 6.910 -0.692 4.017 1.00 0.00 N ATOM 143 CA ILE A 13 7.732 -0.460 5.192 1.00 0.00 C ATOM 144 C ILE A 13 8.745 -1.597 5.333 1.00 0.00 C ATOM 145 O ILE A 13 9.715 -1.480 6.080 1.00 0.00 O ATOM 146 CB ILE A 13 6.854 -0.262 6.429 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.889 -1.436 6.611 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.119 1.079 6.371 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.705 -1.769 8.093 1.00 0.00 C ATOM 0 H ILE A 13 5.945 -0.954 4.217 1.00 0.00 H new ATOM 0 HA ILE A 13 8.301 0.463 5.082 1.00 0.00 H new ATOM 0 HB ILE A 13 7.501 -0.238 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.924 -1.191 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.270 -2.310 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.502 1.195 7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.845 1.890 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.485 1.109 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.015 -2.606 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.668 -2.037 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.301 -0.901 8.614 1.00 0.00 H new ATOM 161 N ALA A 14 8.486 -2.673 4.604 1.00 0.00 N ATOM 162 CA ALA A 14 9.363 -3.830 4.638 1.00 0.00 C ATOM 163 C ALA A 14 9.138 -4.673 3.381 1.00 0.00 C ATOM 164 O ALA A 14 8.075 -4.606 2.767 1.00 0.00 O ATOM 165 CB ALA A 14 9.113 -4.622 5.923 1.00 0.00 C ATOM 0 H ALA A 14 7.680 -2.767 3.986 1.00 0.00 H new ATOM 0 HA ALA A 14 10.408 -3.519 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.771 -5.491 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.315 -3.988 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.075 -4.953 5.950 1.00 0.00 H new ATOM 171 N ASP A 15 10.157 -5.447 3.036 1.00 0.00 N ATOM 172 CA ASP A 15 10.084 -6.301 1.863 1.00 0.00 C ATOM 173 C ASP A 15 9.131 -7.465 2.144 1.00 0.00 C ATOM 174 O ASP A 15 9.106 -7.998 3.252 1.00 0.00 O ATOM 175 CB ASP A 15 11.456 -6.886 1.522 1.00 0.00 C ATOM 176 CG ASP A 15 12.031 -7.840 2.570 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.419 -8.913 2.759 1.00 0.00 O ATOM 178 OD2 ASP A 15 13.071 -7.475 3.160 1.00 0.00 O ATOM 0 H ASP A 15 11.037 -5.500 3.548 1.00 0.00 H new ATOM 0 HA ASP A 15 9.731 -5.697 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.382 -7.416 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.158 -6.065 1.376 1.00 0.00 H new ATOM 183 N TYR A 16 8.369 -7.824 1.121 1.00 0.00 N ATOM 184 CA TYR A 16 7.416 -8.914 1.244 1.00 0.00 C ATOM 185 C TYR A 16 7.593 -9.926 0.110 1.00 0.00 C ATOM 186 O TYR A 16 8.354 -9.689 -0.826 1.00 0.00 O ATOM 187 CB TYR A 16 6.030 -8.277 1.131 1.00 0.00 C ATOM 188 CG TYR A 16 4.876 -9.252 1.375 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.566 -9.646 2.661 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.144 -9.736 0.310 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.480 -10.563 2.891 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.058 -10.653 0.540 1.00 0.00 C ATOM 193 CZ TYR A 16 2.780 -11.022 1.819 1.00 0.00 C ATOM 194 OH TYR A 16 1.754 -11.888 2.036 1.00 0.00 O ATOM 0 H TYR A 16 8.392 -7.379 0.203 1.00 0.00 H new ATOM 0 HA TYR A 16 7.557 -9.443 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.958 -7.458 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.921 -7.842 0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.138 -9.266 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.386 -9.427 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.227 -10.879 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.477 -11.039 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 16 1.719 -12.542 1.307 1.00 0.00 H new ATOM 204 N ALA A 17 6.877 -11.034 0.233 1.00 0.00 N ATOM 205 CA ALA A 17 6.945 -12.084 -0.770 1.00 0.00 C ATOM 206 C ALA A 17 5.544 -12.657 -0.998 1.00 0.00 C ATOM 207 O ALA A 17 4.754 -12.765 -0.062 1.00 0.00 O ATOM 208 CB ALA A 17 7.946 -13.152 -0.324 1.00 0.00 C ATOM 0 H ALA A 17 6.247 -11.228 1.011 1.00 0.00 H new ATOM 0 HA ALA A 17 7.297 -11.684 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.997 -13.939 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.931 -12.700 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.624 -13.578 0.626 1.00 0.00 H new ATOM 214 N ALA A 18 5.280 -13.008 -2.248 1.00 0.00 N ATOM 215 CA ALA A 18 3.989 -13.567 -2.611 1.00 0.00 C ATOM 216 C ALA A 18 4.037 -15.089 -2.465 1.00 0.00 C ATOM 217 O ALA A 18 4.739 -15.766 -3.214 1.00 0.00 O ATOM 218 CB ALA A 18 3.624 -13.129 -4.031 1.00 0.00 C ATOM 0 H ALA A 18 5.938 -12.916 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 18 3.210 -13.197 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.655 -13.548 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.574 -12.041 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.383 -13.485 -4.728 1.00 0.00 H new ATOM 224 N THR A 19 3.283 -15.582 -1.494 1.00 0.00 N ATOM 225 CA THR A 19 3.231 -17.012 -1.239 1.00 0.00 C ATOM 226 C THR A 19 1.844 -17.563 -1.576 1.00 0.00 C ATOM 227 O THR A 19 1.561 -18.734 -1.328 1.00 0.00 O ATOM 228 CB THR A 19 3.642 -17.248 0.215 1.00 0.00 C ATOM 229 OG1 THR A 19 2.499 -16.852 0.968 1.00 0.00 O ATOM 230 CG2 THR A 19 4.742 -16.290 0.676 1.00 0.00 C ATOM 0 H THR A 19 2.703 -15.017 -0.874 1.00 0.00 H new ATOM 0 HA THR A 19 3.926 -17.554 -1.880 1.00 0.00 H new ATOM 0 HB THR A 19 3.984 -18.276 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.678 -16.974 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.996 -16.501 1.715 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.626 -16.423 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.389 -15.262 0.590 1.00 0.00 H new ATOM 238 N ASP A 20 1.017 -16.694 -2.137 1.00 0.00 N ATOM 239 CA ASP A 20 -0.334 -17.079 -2.510 1.00 0.00 C ATOM 240 C ASP A 20 -0.557 -16.769 -3.992 1.00 0.00 C ATOM 241 O ASP A 20 0.334 -16.248 -4.661 1.00 0.00 O ATOM 242 CB ASP A 20 -1.373 -16.299 -1.702 1.00 0.00 C ATOM 243 CG ASP A 20 -2.013 -17.076 -0.550 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.246 -17.512 0.336 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.254 -17.218 -0.582 1.00 0.00 O ATOM 0 H ASP A 20 1.256 -15.724 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.448 -18.144 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.900 -15.404 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.161 -15.966 -2.377 1.00 0.00 H new ATOM 250 N GLU A 21 -1.751 -17.101 -4.460 1.00 0.00 N ATOM 251 CA GLU A 21 -2.102 -16.865 -5.850 1.00 0.00 C ATOM 252 C GLU A 21 -2.701 -15.466 -6.015 1.00 0.00 C ATOM 253 O GLU A 21 -2.774 -14.946 -7.128 1.00 0.00 O ATOM 254 CB GLU A 21 -3.065 -17.937 -6.363 1.00 0.00 C ATOM 255 CG GLU A 21 -2.850 -18.199 -7.855 1.00 0.00 C ATOM 256 CD GLU A 21 -3.959 -19.088 -8.421 1.00 0.00 C ATOM 257 OE1 GLU A 21 -4.252 -20.114 -7.769 1.00 0.00 O ATOM 258 OE2 GLU A 21 -4.489 -18.722 -9.492 1.00 0.00 O ATOM 0 H GLU A 21 -2.488 -17.532 -3.901 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.193 -16.924 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.918 -18.861 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.093 -17.620 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.827 -17.252 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.882 -18.677 -8.008 1.00 0.00 H new ATOM 265 N THR A 22 -3.113 -14.897 -4.892 1.00 0.00 N ATOM 266 CA THR A 22 -3.703 -13.569 -4.898 1.00 0.00 C ATOM 267 C THR A 22 -2.924 -12.635 -3.970 1.00 0.00 C ATOM 268 O THR A 22 -3.488 -12.076 -3.031 1.00 0.00 O ATOM 269 CB THR A 22 -5.180 -13.706 -4.523 1.00 0.00 C ATOM 270 OG1 THR A 22 -5.160 -14.425 -3.292 1.00 0.00 O ATOM 271 CG2 THR A 22 -5.944 -14.624 -5.478 1.00 0.00 C ATOM 0 H THR A 22 -3.050 -15.331 -3.971 1.00 0.00 H new ATOM 0 HA THR A 22 -3.645 -13.115 -5.887 1.00 0.00 H new ATOM 0 HB THR A 22 -5.646 -12.721 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.078 -14.557 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.987 -14.686 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.891 -14.222 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.500 -15.619 -5.459 1.00 0.00 H new ATOM 279 N GLN A 23 -1.640 -12.495 -4.266 1.00 0.00 N ATOM 280 CA GLN A 23 -0.778 -11.638 -3.470 1.00 0.00 C ATOM 281 C GLN A 23 0.259 -10.952 -4.362 1.00 0.00 C ATOM 282 O GLN A 23 0.582 -11.450 -5.440 1.00 0.00 O ATOM 283 CB GLN A 23 -0.099 -12.431 -2.351 1.00 0.00 C ATOM 284 CG GLN A 23 -1.107 -12.824 -1.269 1.00 0.00 C ATOM 285 CD GLN A 23 -0.398 -13.416 -0.049 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.707 -13.928 -0.128 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.093 -13.317 1.081 1.00 0.00 N ATOM 0 H GLN A 23 -1.176 -12.961 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.394 -10.869 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.364 -13.327 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.699 -11.834 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.684 -11.949 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.814 -13.550 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.013 -12.876 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.706 -13.682 1.951 1.00 0.00 H new ATOM 296 N LEU A 24 0.750 -9.820 -3.880 1.00 0.00 N ATOM 297 CA LEU A 24 1.743 -9.060 -4.621 1.00 0.00 C ATOM 298 C LEU A 24 3.037 -8.992 -3.807 1.00 0.00 C ATOM 299 O LEU A 24 3.000 -8.896 -2.582 1.00 0.00 O ATOM 300 CB LEU A 24 1.188 -7.689 -5.010 1.00 0.00 C ATOM 301 CG LEU A 24 0.073 -7.689 -6.057 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.239 -6.266 -6.526 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.418 -8.614 -7.225 1.00 0.00 C ATOM 0 H LEU A 24 0.479 -9.411 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 24 1.982 -9.559 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.814 -7.202 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.010 -7.079 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.832 -8.081 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.035 -6.294 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.559 -5.664 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.654 -5.824 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.391 -8.596 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.340 -8.276 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.551 -9.631 -6.857 1.00 0.00 H new ATOM 315 N SER A 25 4.152 -9.044 -4.522 1.00 0.00 N ATOM 316 CA SER A 25 5.455 -8.990 -3.882 1.00 0.00 C ATOM 317 C SER A 25 6.164 -7.684 -4.249 1.00 0.00 C ATOM 318 O SER A 25 6.218 -7.311 -5.420 1.00 0.00 O ATOM 319 CB SER A 25 6.315 -10.191 -4.280 1.00 0.00 C ATOM 320 OG SER A 25 6.312 -10.406 -5.688 1.00 0.00 O ATOM 0 H SER A 25 4.179 -9.123 -5.539 1.00 0.00 H new ATOM 0 HA SER A 25 5.308 -9.026 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.338 -10.033 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.946 -11.084 -3.776 1.00 0.00 H new ATOM 0 HG SER A 25 6.874 -11.180 -5.902 1.00 0.00 H new ATOM 326 N PHE A 26 6.690 -7.026 -3.227 1.00 0.00 N ATOM 327 CA PHE A 26 7.393 -5.771 -3.427 1.00 0.00 C ATOM 328 C PHE A 26 8.576 -5.645 -2.464 1.00 0.00 C ATOM 329 O PHE A 26 8.788 -6.513 -1.620 1.00 0.00 O ATOM 330 CB PHE A 26 6.395 -4.648 -3.140 1.00 0.00 C ATOM 331 CG PHE A 26 5.452 -4.938 -1.970 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.903 -4.837 -0.692 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.162 -5.297 -2.210 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.028 -5.106 0.394 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.287 -5.567 -1.125 1.00 0.00 C ATOM 336 CZ PHE A 26 3.738 -5.466 0.154 1.00 0.00 C ATOM 0 H PHE A 26 6.643 -7.339 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 26 7.781 -5.720 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.946 -3.731 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.801 -4.466 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.927 -4.552 -0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.804 -5.377 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.386 -5.025 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.263 -5.853 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.072 -5.672 0.979 1.00 0.00 H new ATOM 346 N LEU A 27 9.314 -4.556 -2.624 1.00 0.00 N ATOM 347 CA LEU A 27 10.469 -4.305 -1.779 1.00 0.00 C ATOM 348 C LEU A 27 10.263 -2.995 -1.017 1.00 0.00 C ATOM 349 O LEU A 27 9.676 -2.052 -1.544 1.00 0.00 O ATOM 350 CB LEU A 27 11.756 -4.339 -2.607 1.00 0.00 C ATOM 351 CG LEU A 27 12.751 -3.206 -2.347 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.463 -3.399 -1.006 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.740 -3.068 -3.506 1.00 0.00 C ATOM 0 H LEU A 27 9.135 -3.838 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 27 10.575 -5.094 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.259 -5.288 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.486 -4.323 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 27 12.195 -2.271 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.165 -2.580 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.727 -3.410 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.005 -4.345 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.436 -2.256 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.294 -3.999 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.196 -2.851 -4.425 1.00 0.00 H new ATOM 365 N ARG A 28 10.758 -2.979 0.212 1.00 0.00 N ATOM 366 CA ARG A 28 10.636 -1.800 1.053 1.00 0.00 C ATOM 367 C ARG A 28 10.938 -0.537 0.243 1.00 0.00 C ATOM 368 O ARG A 28 12.081 -0.307 -0.151 1.00 0.00 O ATOM 369 CB ARG A 28 11.590 -1.873 2.246 1.00 0.00 C ATOM 370 CG ARG A 28 11.588 -0.559 3.031 1.00 0.00 C ATOM 371 CD ARG A 28 12.612 -0.598 4.167 1.00 0.00 C ATOM 372 NE ARG A 28 13.471 0.607 4.115 1.00 0.00 N ATOM 373 CZ ARG A 28 14.474 0.852 4.969 1.00 0.00 C ATOM 374 NH1 ARG A 28 14.751 -0.022 5.946 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.201 1.971 4.845 1.00 0.00 N ATOM 0 H ARG A 28 11.244 -3.764 0.646 1.00 0.00 H new ATOM 0 HA ARG A 28 9.612 -1.762 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.296 -2.693 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.599 -2.090 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.815 0.270 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.594 -0.376 3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.100 -0.649 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.225 -1.496 4.085 1.00 0.00 H new ATOM 0 HE ARG A 28 13.288 1.294 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.198 -0.874 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.515 0.165 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.991 2.636 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.965 2.158 5.495 1.00 0.00 H new ATOM 389 N GLY A 29 9.894 0.248 0.019 1.00 0.00 N ATOM 390 CA GLY A 29 10.034 1.481 -0.736 1.00 0.00 C ATOM 391 C GLY A 29 9.158 1.458 -1.991 1.00 0.00 C ATOM 392 O GLY A 29 8.596 2.481 -2.378 1.00 0.00 O ATOM 0 H GLY A 29 8.948 0.054 0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.756 2.329 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.077 1.622 -1.019 1.00 0.00 H new ATOM 396 N GLU A 30 9.070 0.280 -2.590 1.00 0.00 N ATOM 397 CA GLU A 30 8.272 0.110 -3.793 1.00 0.00 C ATOM 398 C GLU A 30 6.944 0.858 -3.659 1.00 0.00 C ATOM 399 O GLU A 30 6.261 0.740 -2.642 1.00 0.00 O ATOM 400 CB GLU A 30 8.039 -1.372 -4.091 1.00 0.00 C ATOM 401 CG GLU A 30 8.954 -1.855 -5.219 1.00 0.00 C ATOM 402 CD GLU A 30 8.158 -2.107 -6.501 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.423 -1.180 -6.904 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.303 -3.221 -7.049 1.00 0.00 O ATOM 0 H GLU A 30 9.538 -0.566 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 30 8.822 0.534 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.222 -1.961 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.997 -1.531 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.728 -1.111 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.460 -2.771 -4.915 1.00 0.00 H new ATOM 411 N LYS A 31 6.617 1.610 -4.699 1.00 0.00 N ATOM 412 CA LYS A 31 5.383 2.377 -4.710 1.00 0.00 C ATOM 413 C LYS A 31 4.208 1.440 -4.998 1.00 0.00 C ATOM 414 O LYS A 31 3.970 1.073 -6.148 1.00 0.00 O ATOM 415 CB LYS A 31 5.489 3.549 -5.688 1.00 0.00 C ATOM 416 CG LYS A 31 6.714 4.412 -5.377 1.00 0.00 C ATOM 417 CD LYS A 31 6.399 5.439 -4.287 1.00 0.00 C ATOM 418 CE LYS A 31 7.661 5.818 -3.510 1.00 0.00 C ATOM 419 NZ LYS A 31 8.485 6.767 -4.292 1.00 0.00 N ATOM 0 H LYS A 31 7.185 1.705 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 31 5.203 2.823 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.555 3.171 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.587 4.158 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.539 3.776 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.041 4.925 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.963 6.331 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.655 5.032 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.387 6.266 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.241 4.922 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.338 7.014 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.762 6.326 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.935 7.628 -4.483 1.00 0.00 H new ATOM 433 N ILE A 32 3.505 1.079 -3.935 1.00 0.00 N ATOM 434 CA ILE A 32 2.361 0.192 -4.059 1.00 0.00 C ATOM 435 C ILE A 32 1.085 1.027 -4.182 1.00 0.00 C ATOM 436 O ILE A 32 0.886 1.978 -3.428 1.00 0.00 O ATOM 437 CB ILE A 32 2.332 -0.809 -2.903 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.741 -1.300 -2.566 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.379 -1.968 -3.206 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.253 -2.271 -3.632 1.00 0.00 C ATOM 0 H ILE A 32 3.706 1.385 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 32 2.439 -0.407 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 32 1.949 -0.299 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.418 -0.449 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.736 -1.792 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.377 -2.666 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.372 -1.580 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.709 -2.484 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.257 -2.605 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.587 -3.132 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.280 -1.769 -4.599 1.00 0.00 H new ATOM 452 N LEU A 33 0.254 0.642 -5.139 1.00 0.00 N ATOM 453 CA LEU A 33 -0.998 1.343 -5.371 1.00 0.00 C ATOM 454 C LEU A 33 -2.129 0.610 -4.647 1.00 0.00 C ATOM 455 O LEU A 33 -2.330 -0.586 -4.853 1.00 0.00 O ATOM 456 CB LEU A 33 -1.242 1.523 -6.870 1.00 0.00 C ATOM 457 CG LEU A 33 -1.542 2.949 -7.335 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.690 3.558 -6.528 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.283 3.818 -7.285 1.00 0.00 C ATOM 0 H LEU A 33 0.423 -0.147 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.953 2.350 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.363 1.165 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.076 0.884 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.865 2.909 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.883 4.572 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.587 2.952 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.419 3.584 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.524 4.827 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.093 3.856 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.480 3.391 -7.936 1.00 0.00 H new ATOM 471 N ILE A 34 -2.839 1.358 -3.815 1.00 0.00 N ATOM 472 CA ILE A 34 -3.945 0.795 -3.060 1.00 0.00 C ATOM 473 C ILE A 34 -5.265 1.194 -3.722 1.00 0.00 C ATOM 474 O ILE A 34 -5.816 2.253 -3.427 1.00 0.00 O ATOM 475 CB ILE A 34 -3.849 1.198 -1.587 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.474 0.853 -1.012 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.984 0.575 -0.773 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.201 -0.650 -1.110 1.00 0.00 C ATOM 0 H ILE A 34 -2.669 2.350 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.899 -0.294 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.962 2.280 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.702 1.403 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.422 1.169 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.892 0.877 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.942 0.914 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.928 -0.511 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.217 -0.869 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.961 -1.195 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.230 -0.958 -2.155 1.00 0.00 H new ATOM 490 N LEU A 35 -5.734 0.324 -4.605 1.00 0.00 N ATOM 491 CA LEU A 35 -6.978 0.573 -5.312 1.00 0.00 C ATOM 492 C LEU A 35 -8.136 0.574 -4.312 1.00 0.00 C ATOM 493 O LEU A 35 -8.781 1.601 -4.104 1.00 0.00 O ATOM 494 CB LEU A 35 -7.154 -0.428 -6.456 1.00 0.00 C ATOM 495 CG LEU A 35 -6.033 -0.463 -7.496 1.00 0.00 C ATOM 496 CD1 LEU A 35 -5.251 0.852 -7.503 1.00 0.00 C ATOM 497 CD2 LEU A 35 -5.120 -1.671 -7.277 1.00 0.00 C ATOM 0 H LEU A 35 -5.274 -0.554 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.960 1.557 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.256 -1.425 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.090 -0.204 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.485 -0.575 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.460 0.801 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.925 1.675 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.811 1.019 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.332 -1.672 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.674 -1.615 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.703 -2.588 -7.361 1.00 0.00 H new ATOM 509 N ARG A 36 -8.365 -0.589 -3.719 1.00 0.00 N ATOM 510 CA ARG A 36 -9.434 -0.734 -2.745 1.00 0.00 C ATOM 511 C ARG A 36 -8.902 -1.385 -1.467 1.00 0.00 C ATOM 512 O ARG A 36 -7.743 -1.793 -1.409 1.00 0.00 O ATOM 513 CB ARG A 36 -10.576 -1.584 -3.305 1.00 0.00 C ATOM 514 CG ARG A 36 -11.140 -0.969 -4.588 1.00 0.00 C ATOM 515 CD ARG A 36 -12.574 -1.440 -4.838 1.00 0.00 C ATOM 516 NE ARG A 36 -13.224 -0.570 -5.843 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.103 -0.732 -7.167 1.00 0.00 C ATOM 518 NH1 ARG A 36 -12.356 -1.731 -7.655 1.00 0.00 N ATOM 519 NH2 ARG A 36 -13.730 0.106 -8.005 1.00 0.00 N ATOM 0 H ARG A 36 -7.829 -1.439 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.815 0.262 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.217 -2.593 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.368 -1.671 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.118 0.118 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.511 -1.244 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.571 -2.473 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.140 -1.420 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.800 0.201 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.879 -2.369 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.264 -1.854 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.299 0.867 -7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.638 -0.017 -9.013 1.00 0.00 H new ATOM 533 N GLN A 37 -9.775 -1.463 -0.473 1.00 0.00 N ATOM 534 CA GLN A 37 -9.408 -2.057 0.801 1.00 0.00 C ATOM 535 C GLN A 37 -10.585 -2.845 1.378 1.00 0.00 C ATOM 536 O GLN A 37 -11.236 -2.396 2.320 1.00 0.00 O ATOM 537 CB GLN A 37 -8.928 -0.989 1.786 1.00 0.00 C ATOM 538 CG GLN A 37 -7.780 -0.171 1.191 1.00 0.00 C ATOM 539 CD GLN A 37 -7.474 1.053 2.056 1.00 0.00 C ATOM 540 OE1 GLN A 37 -7.355 0.976 3.268 1.00 0.00 O ATOM 541 NE2 GLN A 37 -7.353 2.185 1.368 1.00 0.00 N ATOM 0 H GLN A 37 -10.736 -1.124 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.581 -2.747 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.756 -0.328 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.600 -1.463 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.889 -0.794 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.041 0.148 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.465 2.180 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.149 3.058 1.854 1.00 0.00 H new ATOM 550 N THR A 38 -10.824 -4.008 0.788 1.00 0.00 N ATOM 551 CA THR A 38 -11.911 -4.863 1.232 1.00 0.00 C ATOM 552 C THR A 38 -12.028 -4.829 2.757 1.00 0.00 C ATOM 553 O THR A 38 -13.130 -4.738 3.297 1.00 0.00 O ATOM 554 CB THR A 38 -11.668 -6.266 0.672 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.760 -6.097 -0.740 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.805 -7.234 1.007 1.00 0.00 C ATOM 0 H THR A 38 -10.283 -4.377 0.006 1.00 0.00 H new ATOM 0 HA THR A 38 -12.871 -4.509 0.856 1.00 0.00 H new ATOM 0 HB THR A 38 -10.730 -6.657 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.389 -6.885 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.583 -8.215 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.905 -7.317 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.737 -6.860 0.584 1.00 0.00 H new ATOM 564 N THR A 39 -10.877 -4.904 3.409 1.00 0.00 N ATOM 565 CA THR A 39 -10.837 -4.883 4.861 1.00 0.00 C ATOM 566 C THR A 39 -9.742 -3.932 5.350 1.00 0.00 C ATOM 567 O THR A 39 -8.972 -3.402 4.551 1.00 0.00 O ATOM 568 CB THR A 39 -10.655 -6.321 5.350 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.685 -6.870 4.461 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.900 -7.180 5.119 1.00 0.00 C ATOM 0 H THR A 39 -9.965 -4.979 2.958 1.00 0.00 H new ATOM 0 HA THR A 39 -11.768 -4.499 5.277 1.00 0.00 H new ATOM 0 HB THR A 39 -10.410 -6.315 6.412 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.008 -7.728 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.717 -8.191 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.745 -6.748 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.126 -7.214 4.053 1.00 0.00 H new ATOM 578 N ALA A 40 -9.709 -3.745 6.662 1.00 0.00 N ATOM 579 CA ALA A 40 -8.721 -2.867 7.267 1.00 0.00 C ATOM 580 C ALA A 40 -7.438 -3.657 7.533 1.00 0.00 C ATOM 581 O ALA A 40 -6.519 -3.155 8.179 1.00 0.00 O ATOM 582 CB ALA A 40 -9.301 -2.249 8.541 1.00 0.00 C ATOM 0 H ALA A 40 -10.350 -4.186 7.322 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.469 -2.048 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.561 -1.590 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.194 -1.675 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.562 -3.041 9.243 1.00 0.00 H new ATOM 588 N ASP A 41 -7.417 -4.879 7.023 1.00 0.00 N ATOM 589 CA ASP A 41 -6.262 -5.743 7.198 1.00 0.00 C ATOM 590 C ASP A 41 -5.729 -6.159 5.825 1.00 0.00 C ATOM 591 O ASP A 41 -4.519 -6.176 5.605 1.00 0.00 O ATOM 592 CB ASP A 41 -6.635 -7.014 7.964 1.00 0.00 C ATOM 593 CG ASP A 41 -6.529 -6.905 9.487 1.00 0.00 C ATOM 594 OD1 ASP A 41 -7.204 -6.011 10.040 1.00 0.00 O ATOM 595 OD2 ASP A 41 -5.775 -7.719 10.062 1.00 0.00 O ATOM 0 H ASP A 41 -8.181 -5.292 6.488 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.510 -5.190 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.657 -7.290 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.990 -7.826 7.627 1.00 0.00 H new ATOM 600 N TRP A 42 -6.658 -6.483 4.938 1.00 0.00 N ATOM 601 CA TRP A 42 -6.297 -6.897 3.593 1.00 0.00 C ATOM 602 C TRP A 42 -6.721 -5.789 2.627 1.00 0.00 C ATOM 603 O TRP A 42 -7.885 -5.390 2.607 1.00 0.00 O ATOM 604 CB TRP A 42 -6.913 -8.255 3.253 1.00 0.00 C ATOM 605 CG TRP A 42 -6.305 -9.426 4.027 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.728 -9.963 5.179 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.137 -10.189 3.654 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.923 -11.011 5.575 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.925 -11.152 4.618 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.289 -10.068 2.539 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.868 -12.070 4.565 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.238 -10.991 2.501 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.010 -11.968 3.464 1.00 0.00 C ATOM 0 H TRP A 42 -7.661 -6.467 5.125 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.219 -7.038 3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.984 -8.217 3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.795 -8.439 2.185 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.591 -9.619 5.729 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.039 -11.578 6.415 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.437 -9.322 1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.723 -12.816 5.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.556 -10.941 1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.175 -12.645 3.363 1.00 0.00 H new ATOM 624 N TRP A 43 -5.755 -5.323 1.850 1.00 0.00 N ATOM 625 CA TRP A 43 -6.014 -4.269 0.884 1.00 0.00 C ATOM 626 C TRP A 43 -5.813 -4.851 -0.517 1.00 0.00 C ATOM 627 O TRP A 43 -5.132 -5.862 -0.680 1.00 0.00 O ATOM 628 CB TRP A 43 -5.134 -3.047 1.156 1.00 0.00 C ATOM 629 CG TRP A 43 -5.512 -2.278 2.423 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.505 -2.541 3.283 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.857 -1.101 2.941 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.539 -1.623 4.313 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.504 -0.720 4.099 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.754 -0.381 2.448 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.123 0.391 4.861 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.385 0.726 3.221 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.027 1.123 4.389 1.00 0.00 C ATOM 0 H TRP A 43 -4.791 -5.656 1.870 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.041 -3.913 0.969 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.096 -3.370 1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.193 -2.372 0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.193 -3.368 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.202 -1.610 5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.233 -0.660 1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.646 0.668 5.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.542 1.313 2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.682 1.992 4.929 1.00 0.00 H new ATOM 648 N TRP A 44 -6.417 -4.187 -1.491 1.00 0.00 N ATOM 649 CA TRP A 44 -6.312 -4.626 -2.872 1.00 0.00 C ATOM 650 C TRP A 44 -5.414 -3.636 -3.616 1.00 0.00 C ATOM 651 O TRP A 44 -5.723 -2.448 -3.693 1.00 0.00 O ATOM 652 CB TRP A 44 -7.696 -4.771 -3.508 1.00 0.00 C ATOM 653 CG TRP A 44 -7.664 -5.087 -5.004 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.900 -4.255 -6.028 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.368 -6.364 -5.607 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.778 -4.901 -7.242 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.444 -6.224 -6.978 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.046 -7.598 -5.014 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.212 -7.277 -7.871 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -6.816 -8.640 -5.920 1.00 0.00 C ATOM 661 CH2 TRP A 44 -6.889 -8.515 -7.303 1.00 0.00 C ATOM 0 H TRP A 44 -6.981 -3.348 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.860 -5.616 -2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.241 -5.562 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.254 -3.847 -3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.154 -3.211 -5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.909 -4.484 -8.164 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.981 -7.731 -3.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.279 -7.141 -8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.564 -9.610 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.697 -9.369 -7.936 1.00 0.00 H new ATOM 672 N GLY A 45 -4.319 -4.162 -4.146 1.00 0.00 N ATOM 673 CA GLY A 45 -3.374 -3.339 -4.882 1.00 0.00 C ATOM 674 C GLY A 45 -3.267 -3.795 -6.338 1.00 0.00 C ATOM 675 O GLY A 45 -4.011 -4.672 -6.774 1.00 0.00 O ATOM 0 H GLY A 45 -4.065 -5.148 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.690 -2.296 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.394 -3.392 -4.408 1.00 0.00 H new ATOM 679 N GLU A 46 -2.334 -3.180 -7.050 1.00 0.00 N ATOM 680 CA GLU A 46 -2.120 -3.512 -8.449 1.00 0.00 C ATOM 681 C GLU A 46 -0.639 -3.372 -8.806 1.00 0.00 C ATOM 682 O GLU A 46 -0.063 -2.294 -8.672 1.00 0.00 O ATOM 683 CB GLU A 46 -2.988 -2.641 -9.358 1.00 0.00 C ATOM 684 CG GLU A 46 -2.685 -2.915 -10.833 1.00 0.00 C ATOM 685 CD GLU A 46 -3.279 -1.825 -11.727 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.009 -0.641 -11.432 1.00 0.00 O ATOM 687 OE2 GLU A 46 -3.988 -2.201 -12.685 1.00 0.00 O ATOM 0 H GLU A 46 -1.718 -2.454 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.415 -4.549 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.041 -2.836 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.811 -1.589 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.607 -2.965 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.092 -3.885 -11.117 1.00 0.00 H new ATOM 694 N ARG A 47 -0.064 -4.479 -9.254 1.00 0.00 N ATOM 695 CA ARG A 47 1.339 -4.494 -9.632 1.00 0.00 C ATOM 696 C ARG A 47 1.490 -4.183 -11.122 1.00 0.00 C ATOM 697 O ARG A 47 0.513 -3.854 -11.794 1.00 0.00 O ATOM 698 CB ARG A 47 1.975 -5.853 -9.334 1.00 0.00 C ATOM 699 CG ARG A 47 2.685 -5.841 -7.979 1.00 0.00 C ATOM 700 CD ARG A 47 4.087 -5.242 -8.099 1.00 0.00 C ATOM 701 NE ARG A 47 5.100 -6.237 -7.682 1.00 0.00 N ATOM 702 CZ ARG A 47 5.637 -7.151 -8.502 1.00 0.00 C ATOM 703 NH1 ARG A 47 5.262 -7.201 -9.787 1.00 0.00 N ATOM 704 NH2 ARG A 47 6.550 -8.015 -8.036 1.00 0.00 N ATOM 0 H ARG A 47 -0.545 -5.372 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 47 1.849 -3.731 -9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.207 -6.627 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.687 -6.105 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.100 -5.264 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.752 -6.857 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.272 -4.932 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.165 -4.350 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 47 5.409 -6.227 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.568 -6.543 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.671 -7.897 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.836 -7.977 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.959 -8.711 -8.660 1.00 0.00 H new ATOM 718 N ALA A 48 2.722 -4.298 -11.596 1.00 0.00 N ATOM 719 CA ALA A 48 3.014 -4.033 -12.995 1.00 0.00 C ATOM 720 C ALA A 48 2.236 -5.019 -13.869 1.00 0.00 C ATOM 721 O ALA A 48 2.615 -6.184 -13.985 1.00 0.00 O ATOM 722 CB ALA A 48 4.524 -4.115 -13.226 1.00 0.00 C ATOM 0 H ALA A 48 3.530 -4.571 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 48 2.697 -3.027 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.743 -3.916 -14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.028 -3.375 -12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.879 -5.112 -12.964 1.00 0.00 H new ATOM 728 N GLY A 49 1.163 -4.516 -14.461 1.00 0.00 N ATOM 729 CA GLY A 49 0.328 -5.338 -15.321 1.00 0.00 C ATOM 730 C GLY A 49 -0.295 -6.495 -14.537 1.00 0.00 C ATOM 731 O GLY A 49 -0.910 -7.385 -15.122 1.00 0.00 O ATOM 0 H GLY A 49 0.852 -3.549 -14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.460 -4.727 -15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.924 -5.731 -16.144 1.00 0.00 H new ATOM 735 N CYS A 50 -0.114 -6.444 -13.226 1.00 0.00 N ATOM 736 CA CYS A 50 -0.651 -7.477 -12.356 1.00 0.00 C ATOM 737 C CYS A 50 -1.709 -6.841 -11.452 1.00 0.00 C ATOM 738 O CYS A 50 -1.765 -5.620 -11.320 1.00 0.00 O ATOM 739 CB CYS A 50 0.451 -8.165 -11.548 1.00 0.00 C ATOM 740 SG CYS A 50 0.976 -9.703 -12.389 1.00 0.00 S ATOM 0 H CYS A 50 0.397 -5.704 -12.745 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.112 -8.260 -12.958 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.303 -7.494 -11.434 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.089 -8.394 -10.546 1.00 0.00 H new ATOM 0 HG CYS A 50 1.913 -10.278 -11.696 1.00 0.00 H new ATOM 746 N CYS A 51 -2.522 -7.699 -10.853 1.00 0.00 N ATOM 747 CA CYS A 51 -3.576 -7.237 -9.966 1.00 0.00 C ATOM 748 C CYS A 51 -3.795 -8.299 -8.887 1.00 0.00 C ATOM 749 O CYS A 51 -4.275 -9.394 -9.177 1.00 0.00 O ATOM 750 CB CYS A 51 -4.864 -6.926 -10.731 1.00 0.00 C ATOM 751 SG CYS A 51 -5.343 -8.361 -11.760 1.00 0.00 S ATOM 0 H CYS A 51 -2.472 -8.712 -10.965 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.275 -6.300 -9.497 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.664 -6.687 -10.030 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.720 -6.048 -11.361 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.019 -9.461 -11.148 1.00 0.00 H new ATOM 757 N GLY A 52 -3.433 -7.938 -7.664 1.00 0.00 N ATOM 758 CA GLY A 52 -3.585 -8.846 -6.540 1.00 0.00 C ATOM 759 C GLY A 52 -3.861 -8.077 -5.247 1.00 0.00 C ATOM 760 O GLY A 52 -3.982 -6.853 -5.262 1.00 0.00 O ATOM 0 H GLY A 52 -3.035 -7.029 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.403 -9.540 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.681 -9.444 -6.426 1.00 0.00 H new ATOM 764 N TYR A 53 -3.953 -8.827 -4.158 1.00 0.00 N ATOM 765 CA TYR A 53 -4.213 -8.230 -2.859 1.00 0.00 C ATOM 766 C TYR A 53 -2.906 -7.890 -2.141 1.00 0.00 C ATOM 767 O TYR A 53 -1.824 -8.227 -2.620 1.00 0.00 O ATOM 768 CB TYR A 53 -4.964 -9.291 -2.051 1.00 0.00 C ATOM 769 CG TYR A 53 -6.482 -9.103 -2.038 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.059 -8.204 -1.164 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.275 -9.832 -2.901 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.488 -8.028 -1.151 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.705 -9.655 -2.889 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.240 -8.762 -2.015 1.00 0.00 C ATOM 775 OH TYR A 53 -10.590 -8.595 -2.003 1.00 0.00 O ATOM 0 H TYR A 53 -3.852 -9.842 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.782 -7.306 -2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.733 -10.275 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.598 -9.278 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.438 -7.632 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.824 -10.535 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.952 -7.329 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.337 -10.219 -3.559 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.998 -9.183 -2.673 1.00 0.00 H new ATOM 785 N ILE A 54 -3.048 -7.227 -1.002 1.00 0.00 N ATOM 786 CA ILE A 54 -1.892 -6.838 -0.213 1.00 0.00 C ATOM 787 C ILE A 54 -2.321 -6.623 1.240 1.00 0.00 C ATOM 788 O ILE A 54 -3.473 -6.285 1.507 1.00 0.00 O ATOM 789 CB ILE A 54 -1.202 -5.623 -0.837 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.228 -4.653 -1.427 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.161 -6.055 -1.871 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.565 -3.334 -1.831 1.00 0.00 C ATOM 0 H ILE A 54 -3.947 -6.950 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.146 -7.633 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.671 -5.090 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.704 -5.106 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.014 -4.461 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.314 -5.173 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.594 -6.676 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.649 -6.624 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.316 -2.662 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.110 -2.872 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.796 -3.527 -2.579 1.00 0.00 H new ATOM 804 N PRO A 55 -1.346 -6.834 2.164 1.00 0.00 N ATOM 805 CA PRO A 55 -1.611 -6.667 3.583 1.00 0.00 C ATOM 806 C PRO A 55 -1.691 -5.185 3.955 1.00 0.00 C ATOM 807 O PRO A 55 -1.166 -4.332 3.241 1.00 0.00 O ATOM 808 CB PRO A 55 -0.475 -7.394 4.284 1.00 0.00 C ATOM 809 CG PRO A 55 0.628 -7.541 3.247 1.00 0.00 C ATOM 810 CD PRO A 55 0.030 -7.235 1.884 1.00 0.00 C ATOM 0 HA PRO A 55 -2.575 -7.079 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.125 -6.830 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.801 -8.368 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.450 -6.859 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.038 -8.551 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.579 -6.440 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.063 -8.108 1.232 1.00 0.00 H new ATOM 818 N ALA A 56 -2.354 -4.923 5.072 1.00 0.00 N ATOM 819 CA ALA A 56 -2.510 -3.559 5.547 1.00 0.00 C ATOM 820 C ALA A 56 -1.599 -3.337 6.756 1.00 0.00 C ATOM 821 O ALA A 56 -2.039 -3.447 7.899 1.00 0.00 O ATOM 822 CB ALA A 56 -3.982 -3.297 5.872 1.00 0.00 C ATOM 0 H ALA A 56 -2.789 -5.632 5.662 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.214 -2.848 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.099 -2.274 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.584 -3.440 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.313 -3.991 6.645 1.00 0.00 H new ATOM 828 N ASN A 57 -0.344 -3.028 6.461 1.00 0.00 N ATOM 829 CA ASN A 57 0.634 -2.790 7.509 1.00 0.00 C ATOM 830 C ASN A 57 2.033 -2.735 6.893 1.00 0.00 C ATOM 831 O ASN A 57 2.828 -1.858 7.227 1.00 0.00 O ATOM 832 CB ASN A 57 0.617 -3.916 8.544 1.00 0.00 C ATOM 833 CG ASN A 57 0.422 -3.361 9.956 1.00 0.00 C ATOM 834 OD1 ASN A 57 0.428 -2.162 10.186 1.00 0.00 O ATOM 835 ND2 ASN A 57 0.249 -4.295 10.887 1.00 0.00 N ATOM 0 H ASN A 57 0.017 -2.937 5.512 1.00 0.00 H new ATOM 0 HA ASN A 57 0.383 -1.848 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.185 -4.617 8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.552 -4.474 8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.111 -4.025 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.255 -5.281 10.627 1.00 0.00 H new ATOM 842 N HIS A 58 2.290 -3.682 6.003 1.00 0.00 N ATOM 843 CA HIS A 58 3.579 -3.752 5.336 1.00 0.00 C ATOM 844 C HIS A 58 3.790 -2.494 4.491 1.00 0.00 C ATOM 845 O HIS A 58 4.913 -2.190 4.094 1.00 0.00 O ATOM 846 CB HIS A 58 3.700 -5.041 4.520 1.00 0.00 C ATOM 847 CG HIS A 58 4.520 -6.117 5.190 1.00 0.00 C ATOM 848 ND1 HIS A 58 4.021 -6.921 6.200 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.808 -6.515 4.983 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.975 -7.759 6.578 1.00 0.00 C ATOM 851 NE2 HIS A 58 6.082 -7.506 5.822 1.00 0.00 N ATOM 0 H HIS A 58 1.628 -4.407 5.728 1.00 0.00 H new ATOM 0 HA HIS A 58 4.375 -3.785 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.701 -5.430 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.147 -4.807 3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.490 -6.095 4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.891 -8.510 7.349 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.973 -7.997 5.890 1.00 0.00 H new ATOM 859 N VAL A 59 2.691 -1.797 4.242 1.00 0.00 N ATOM 860 CA VAL A 59 2.741 -0.578 3.452 1.00 0.00 C ATOM 861 C VAL A 59 2.265 0.598 4.307 1.00 0.00 C ATOM 862 O VAL A 59 1.430 0.428 5.194 1.00 0.00 O ATOM 863 CB VAL A 59 1.926 -0.753 2.169 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.619 -1.721 1.207 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.502 -1.217 2.482 1.00 0.00 C ATOM 0 H VAL A 59 1.761 -2.053 4.573 1.00 0.00 H new ATOM 0 HA VAL A 59 3.764 -0.363 3.145 1.00 0.00 H new ATOM 0 HB VAL A 59 1.861 0.218 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.019 -1.828 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.603 -1.332 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.729 -2.694 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.055 -1.333 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.537 -2.172 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.008 -0.476 3.111 1.00 0.00 H new