USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 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 16 TYR OH : rot 119:sc= 0.706 USER MOD Set 1.2: A 23 GLN :FLIP amide:sc= -2.57! C(o=-5.3!,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.482 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 51:sc= 0.992 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 35:sc= 0.0405 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.315 5.939 -7.185 1.00 0.00 N ATOM 60 CA GLY A 7 -5.574 4.956 -6.413 1.00 0.00 C ATOM 61 C GLY A 7 -4.814 5.621 -5.264 1.00 0.00 C ATOM 62 O GLY A 7 -4.737 6.847 -5.193 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.260 4.208 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.873 4.432 -7.062 1.00 0.00 H new ATOM 66 N GLU A 8 -4.271 4.784 -4.393 1.00 0.00 N ATOM 67 CA GLU A 8 -3.519 5.275 -3.251 1.00 0.00 C ATOM 68 C GLU A 8 -2.066 4.803 -3.328 1.00 0.00 C ATOM 69 O GLU A 8 -1.796 3.604 -3.287 1.00 0.00 O ATOM 70 CB GLU A 8 -4.169 4.836 -1.937 1.00 0.00 C ATOM 71 CG GLU A 8 -4.946 5.989 -1.298 1.00 0.00 C ATOM 72 CD GLU A 8 -6.453 5.801 -1.479 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.002 4.913 -0.792 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.024 6.550 -2.301 1.00 0.00 O ATOM 0 H GLU A 8 -4.337 3.768 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.528 6.365 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.841 3.998 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.402 4.483 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.708 6.048 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.637 6.933 -1.747 1.00 0.00 H new ATOM 81 N GLU A 9 -1.168 5.771 -3.439 1.00 0.00 N ATOM 82 CA GLU A 9 0.251 5.469 -3.523 1.00 0.00 C ATOM 83 C GLU A 9 0.835 5.272 -2.123 1.00 0.00 C ATOM 84 O GLU A 9 0.724 6.151 -1.270 1.00 0.00 O ATOM 85 CB GLU A 9 1.001 6.567 -4.281 1.00 0.00 C ATOM 86 CG GLU A 9 1.336 6.119 -5.705 1.00 0.00 C ATOM 87 CD GLU A 9 2.617 6.791 -6.204 1.00 0.00 C ATOM 88 OE1 GLU A 9 2.617 8.040 -6.261 1.00 0.00 O ATOM 89 OE2 GLU A 9 3.567 6.041 -6.516 1.00 0.00 O ATOM 0 H GLU A 9 -1.395 6.765 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 9 0.373 4.540 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.393 7.471 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.919 6.819 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.456 5.036 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.509 6.364 -6.371 1.00 0.00 H new ATOM 96 N PHE A 10 1.446 4.112 -1.929 1.00 0.00 N ATOM 97 CA PHE A 10 2.048 3.788 -0.647 1.00 0.00 C ATOM 98 C PHE A 10 3.449 3.203 -0.832 1.00 0.00 C ATOM 99 O PHE A 10 3.839 2.855 -1.945 1.00 0.00 O ATOM 100 CB PHE A 10 1.153 2.738 0.015 1.00 0.00 C ATOM 101 CG PHE A 10 0.030 3.328 0.870 1.00 0.00 C ATOM 102 CD1 PHE A 10 -0.983 4.019 0.280 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.043 3.161 2.219 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.025 4.566 1.074 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.999 3.708 3.013 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.012 4.399 2.424 1.00 0.00 C ATOM 0 H PHE A 10 1.537 3.385 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 10 2.137 4.688 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.714 2.109 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.770 2.091 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.994 4.151 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.847 2.612 2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.829 5.115 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.987 3.576 4.085 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.805 4.815 3.028 1.00 0.00 H new ATOM 116 N VAL A 11 4.169 3.113 0.277 1.00 0.00 N ATOM 117 CA VAL A 11 5.519 2.576 0.252 1.00 0.00 C ATOM 118 C VAL A 11 5.613 1.398 1.223 1.00 0.00 C ATOM 119 O VAL A 11 5.077 1.455 2.328 1.00 0.00 O ATOM 120 CB VAL A 11 6.528 3.685 0.557 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.802 3.109 1.179 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.850 4.495 -0.700 1.00 0.00 C ATOM 0 H VAL A 11 3.843 3.403 1.199 1.00 0.00 H new ATOM 0 HA VAL A 11 5.762 2.198 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 11 6.075 4.360 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.503 3.917 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.554 2.597 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.258 2.402 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.569 5.276 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.274 3.837 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.937 4.950 -1.084 1.00 0.00 H new ATOM 132 N ALA A 12 6.298 0.356 0.775 1.00 0.00 N ATOM 133 CA ALA A 12 6.470 -0.834 1.590 1.00 0.00 C ATOM 134 C ALA A 12 7.452 -0.534 2.724 1.00 0.00 C ATOM 135 O ALA A 12 8.609 -0.199 2.475 1.00 0.00 O ATOM 136 CB ALA A 12 6.934 -1.995 0.708 1.00 0.00 C ATOM 0 H ALA A 12 6.741 0.312 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 12 5.523 -1.128 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.063 -2.888 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.187 -2.188 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.883 -1.738 0.237 1.00 0.00 H new ATOM 142 N ILE A 13 6.955 -0.664 3.945 1.00 0.00 N ATOM 143 CA ILE A 13 7.775 -0.410 5.118 1.00 0.00 C ATOM 144 C ILE A 13 8.809 -1.528 5.263 1.00 0.00 C ATOM 145 O ILE A 13 9.697 -1.451 6.110 1.00 0.00 O ATOM 146 CB ILE A 13 6.895 -0.221 6.355 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.037 -1.461 6.613 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.048 1.048 6.238 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.894 -1.728 8.113 1.00 0.00 C ATOM 0 H ILE A 13 5.995 -0.942 4.148 1.00 0.00 H new ATOM 0 HA ILE A 13 8.328 0.522 5.003 1.00 0.00 H new ATOM 0 HB ILE A 13 7.546 -0.094 7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.051 -1.324 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.488 -2.327 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.432 1.158 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.702 1.914 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.405 0.977 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.279 -2.615 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.880 -1.889 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.421 -0.871 8.592 1.00 0.00 H new ATOM 161 N ALA A 14 8.659 -2.542 4.423 1.00 0.00 N ATOM 162 CA ALA A 14 9.570 -3.674 4.447 1.00 0.00 C ATOM 163 C ALA A 14 9.251 -4.604 3.275 1.00 0.00 C ATOM 164 O ALA A 14 8.086 -4.813 2.942 1.00 0.00 O ATOM 165 CB ALA A 14 9.466 -4.384 5.799 1.00 0.00 C ATOM 0 H ALA A 14 7.921 -2.603 3.722 1.00 0.00 H new ATOM 0 HA ALA A 14 10.601 -3.340 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.149 -5.233 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.729 -3.689 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.445 -4.736 5.947 1.00 0.00 H new ATOM 171 N ASP A 15 10.308 -5.138 2.680 1.00 0.00 N ATOM 172 CA ASP A 15 10.156 -6.041 1.552 1.00 0.00 C ATOM 173 C ASP A 15 9.281 -7.225 1.967 1.00 0.00 C ATOM 174 O ASP A 15 9.465 -7.791 3.043 1.00 0.00 O ATOM 175 CB ASP A 15 11.510 -6.590 1.099 1.00 0.00 C ATOM 176 CG ASP A 15 12.230 -7.465 2.127 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.712 -6.888 3.126 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.282 -8.691 1.891 1.00 0.00 O ATOM 0 H ASP A 15 11.273 -4.962 2.958 1.00 0.00 H new ATOM 0 HA ASP A 15 9.701 -5.484 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.363 -7.171 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.157 -5.752 0.841 1.00 0.00 H new ATOM 183 N TYR A 16 8.347 -7.565 1.090 1.00 0.00 N ATOM 184 CA TYR A 16 7.442 -8.671 1.352 1.00 0.00 C ATOM 185 C TYR A 16 7.473 -9.686 0.208 1.00 0.00 C ATOM 186 O TYR A 16 7.907 -9.368 -0.898 1.00 0.00 O ATOM 187 CB TYR A 16 6.042 -8.060 1.439 1.00 0.00 C ATOM 188 CG TYR A 16 4.911 -9.091 1.420 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.737 -9.944 2.491 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.065 -9.167 0.333 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.673 -10.914 2.474 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.001 -10.137 0.315 1.00 0.00 C ATOM 193 CZ TYR A 16 2.857 -10.962 1.387 1.00 0.00 C ATOM 194 OH TYR A 16 1.852 -11.878 1.371 1.00 0.00 O ATOM 0 H TYR A 16 8.198 -7.094 0.198 1.00 0.00 H new ATOM 0 HA TYR A 16 7.727 -9.192 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.969 -7.473 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.905 -7.370 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.399 -9.884 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.201 -8.499 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.526 -11.588 3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.333 -10.208 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 16 0.990 -11.416 1.310 1.00 0.00 H new ATOM 204 N ALA A 17 7.006 -10.888 0.513 1.00 0.00 N ATOM 205 CA ALA A 17 6.975 -11.952 -0.476 1.00 0.00 C ATOM 206 C ALA A 17 5.615 -12.653 -0.422 1.00 0.00 C ATOM 207 O ALA A 17 5.298 -13.325 0.558 1.00 0.00 O ATOM 208 CB ALA A 17 8.137 -12.915 -0.228 1.00 0.00 C ATOM 0 H ALA A 17 6.646 -11.149 1.431 1.00 0.00 H new ATOM 0 HA ALA A 17 7.098 -11.546 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.113 -13.713 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.080 -12.375 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.047 -13.345 0.770 1.00 0.00 H new ATOM 214 N ALA A 18 4.849 -12.472 -1.488 1.00 0.00 N ATOM 215 CA ALA A 18 3.532 -13.078 -1.575 1.00 0.00 C ATOM 216 C ALA A 18 3.648 -14.580 -1.311 1.00 0.00 C ATOM 217 O ALA A 18 4.443 -15.267 -1.951 1.00 0.00 O ATOM 218 CB ALA A 18 2.917 -12.772 -2.942 1.00 0.00 C ATOM 0 H ALA A 18 5.116 -11.914 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 18 2.867 -12.661 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.929 -13.227 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.828 -11.693 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.555 -13.178 -3.727 1.00 0.00 H new ATOM 224 N THR A 19 2.844 -15.047 -0.367 1.00 0.00 N ATOM 225 CA THR A 19 2.846 -16.456 -0.011 1.00 0.00 C ATOM 226 C THR A 19 1.898 -17.238 -0.922 1.00 0.00 C ATOM 227 O THR A 19 2.039 -18.451 -1.076 1.00 0.00 O ATOM 228 CB THR A 19 2.494 -16.569 1.473 1.00 0.00 C ATOM 229 OG1 THR A 19 3.749 -16.781 2.113 1.00 0.00 O ATOM 230 CG2 THR A 19 1.695 -17.835 1.791 1.00 0.00 C ATOM 0 H THR A 19 2.187 -14.474 0.162 1.00 0.00 H new ATOM 0 HA THR A 19 3.830 -16.900 -0.161 1.00 0.00 H new ATOM 0 HB THR A 19 1.922 -15.693 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.613 -16.864 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.471 -17.866 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.764 -17.829 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.280 -18.713 1.517 1.00 0.00 H new ATOM 238 N ASP A 20 0.954 -16.513 -1.503 1.00 0.00 N ATOM 239 CA ASP A 20 -0.017 -17.123 -2.395 1.00 0.00 C ATOM 240 C ASP A 20 0.102 -16.489 -3.782 1.00 0.00 C ATOM 241 O ASP A 20 0.872 -15.550 -3.976 1.00 0.00 O ATOM 242 CB ASP A 20 -1.444 -16.898 -1.893 1.00 0.00 C ATOM 243 CG ASP A 20 -2.115 -18.128 -1.277 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.485 -18.729 -0.380 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.242 -18.440 -1.718 1.00 0.00 O ATOM 0 H ASP A 20 0.841 -15.508 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 20 0.187 -18.193 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.430 -16.100 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.055 -16.548 -2.725 1.00 0.00 H new ATOM 250 N GLU A 21 -0.673 -17.028 -4.712 1.00 0.00 N ATOM 251 CA GLU A 21 -0.664 -16.527 -6.076 1.00 0.00 C ATOM 252 C GLU A 21 -1.718 -15.431 -6.245 1.00 0.00 C ATOM 253 O GLU A 21 -2.107 -15.106 -7.366 1.00 0.00 O ATOM 254 CB GLU A 21 -0.887 -17.661 -7.079 1.00 0.00 C ATOM 255 CG GLU A 21 -2.152 -18.452 -6.739 1.00 0.00 C ATOM 256 CD GLU A 21 -1.802 -19.805 -6.116 1.00 0.00 C ATOM 257 OE1 GLU A 21 -0.809 -20.405 -6.583 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.534 -20.209 -5.188 1.00 0.00 O ATOM 0 H GLU A 21 -1.311 -17.807 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 21 0.317 -16.096 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.970 -17.250 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.025 -18.328 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.769 -17.878 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.743 -18.605 -7.642 1.00 0.00 H new ATOM 265 N THR A 22 -2.151 -14.891 -5.115 1.00 0.00 N ATOM 266 CA THR A 22 -3.152 -13.838 -5.124 1.00 0.00 C ATOM 267 C THR A 22 -2.642 -12.611 -4.366 1.00 0.00 C ATOM 268 O THR A 22 -3.418 -11.717 -4.030 1.00 0.00 O ATOM 269 CB THR A 22 -4.448 -14.412 -4.548 1.00 0.00 C ATOM 270 OG1 THR A 22 -4.079 -14.864 -3.248 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.896 -15.684 -5.272 1.00 0.00 C ATOM 0 H THR A 22 -1.827 -15.163 -4.187 1.00 0.00 H new ATOM 0 HA THR A 22 -3.354 -13.494 -6.138 1.00 0.00 H new ATOM 0 HB THR A 22 -5.237 -13.662 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.861 -15.250 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.820 -16.051 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.066 -15.462 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.122 -16.446 -5.182 1.00 0.00 H new ATOM 279 N GLN A 23 -1.340 -12.606 -4.118 1.00 0.00 N ATOM 280 CA GLN A 23 -0.717 -11.504 -3.406 1.00 0.00 C ATOM 281 C GLN A 23 0.339 -10.832 -4.285 1.00 0.00 C ATOM 282 O GLN A 23 0.814 -11.425 -5.253 1.00 0.00 O ATOM 283 CB GLN A 23 -0.109 -11.978 -2.084 1.00 0.00 C ATOM 284 CG GLN A 23 -1.202 -12.380 -1.091 1.00 0.00 C ATOM 285 CD GLN A 23 -0.596 -13.015 0.163 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.622 -12.228 1.234 1.00 0.00 O flip ATOM 287 NE2 GLN A 23 -0.137 -14.145 0.157 1.00 0.00 N flip ATOM 0 H GLN A 23 -0.699 -13.349 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.487 -10.769 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.551 -12.826 -2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.503 -11.184 -1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.786 -11.503 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.888 -13.083 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.149 -14.696 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.259 -14.539 1.010 1.00 0.00 H new ATOM 296 N LEU A 24 0.675 -9.605 -3.918 1.00 0.00 N ATOM 297 CA LEU A 24 1.667 -8.846 -4.662 1.00 0.00 C ATOM 298 C LEU A 24 2.961 -8.772 -3.850 1.00 0.00 C ATOM 299 O LEU A 24 2.925 -8.593 -2.633 1.00 0.00 O ATOM 300 CB LEU A 24 1.109 -7.477 -5.057 1.00 0.00 C ATOM 301 CG LEU A 24 0.033 -7.479 -6.144 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.326 -6.052 -6.563 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.460 -8.337 -7.337 1.00 0.00 C ATOM 0 H LEU A 24 0.278 -9.117 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 24 1.907 -9.349 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.696 -7.004 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.937 -6.853 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.869 -7.929 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.093 -6.082 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.703 -5.503 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.562 -5.553 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.323 -8.321 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.383 -7.939 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.625 -9.363 -7.007 1.00 0.00 H new ATOM 315 N SER A 25 4.074 -8.914 -4.555 1.00 0.00 N ATOM 316 CA SER A 25 5.377 -8.865 -3.914 1.00 0.00 C ATOM 317 C SER A 25 6.112 -7.586 -4.320 1.00 0.00 C ATOM 318 O SER A 25 6.215 -7.275 -5.506 1.00 0.00 O ATOM 319 CB SER A 25 6.213 -10.095 -4.273 1.00 0.00 C ATOM 320 OG SER A 25 5.461 -11.301 -4.171 1.00 0.00 O ATOM 0 H SER A 25 4.100 -9.063 -5.564 1.00 0.00 H new ATOM 0 HA SER A 25 5.228 -8.863 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.594 -9.990 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.078 -10.150 -3.612 1.00 0.00 H new ATOM 0 HG SER A 25 6.030 -12.062 -4.410 1.00 0.00 H new ATOM 326 N PHE A 26 6.605 -6.880 -3.313 1.00 0.00 N ATOM 327 CA PHE A 26 7.328 -5.642 -3.550 1.00 0.00 C ATOM 328 C PHE A 26 8.521 -5.513 -2.601 1.00 0.00 C ATOM 329 O PHE A 26 8.714 -6.353 -1.723 1.00 0.00 O ATOM 330 CB PHE A 26 6.352 -4.496 -3.282 1.00 0.00 C ATOM 331 CG PHE A 26 5.378 -4.764 -2.133 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.745 -4.489 -0.852 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.145 -5.277 -2.391 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.842 -4.737 0.215 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.242 -5.525 -1.324 1.00 0.00 C ATOM 336 CZ PHE A 26 3.609 -5.250 -0.044 1.00 0.00 C ATOM 0 H PHE A 26 6.518 -7.142 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 26 7.707 -5.623 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.920 -3.593 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.782 -4.298 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.724 -4.082 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.853 -5.496 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.134 -4.519 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.263 -5.932 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.922 -5.439 0.767 1.00 0.00 H new ATOM 346 N LEU A 27 9.291 -4.455 -2.810 1.00 0.00 N ATOM 347 CA LEU A 27 10.459 -4.205 -1.983 1.00 0.00 C ATOM 348 C LEU A 27 10.279 -2.881 -1.239 1.00 0.00 C ATOM 349 O LEU A 27 9.725 -1.928 -1.786 1.00 0.00 O ATOM 350 CB LEU A 27 11.735 -4.269 -2.826 1.00 0.00 C ATOM 351 CG LEU A 27 12.737 -3.133 -2.612 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.502 -3.317 -1.300 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.679 -3.000 -3.811 1.00 0.00 C ATOM 0 H LEU A 27 9.129 -3.761 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 27 10.564 -4.983 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.237 -5.214 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.451 -4.283 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 27 12.182 -2.198 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.208 -2.496 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.799 -3.324 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.045 -4.262 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.381 -2.185 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.230 -3.931 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.098 -2.789 -4.709 1.00 0.00 H new ATOM 365 N ARG A 28 10.758 -2.862 -0.004 1.00 0.00 N ATOM 366 CA ARG A 28 10.656 -1.670 0.820 1.00 0.00 C ATOM 367 C ARG A 28 10.951 -0.422 -0.013 1.00 0.00 C ATOM 368 O ARG A 28 12.023 -0.305 -0.605 1.00 0.00 O ATOM 369 CB ARG A 28 11.631 -1.730 1.998 1.00 0.00 C ATOM 370 CG ARG A 28 11.566 -0.447 2.829 1.00 0.00 C ATOM 371 CD ARG A 28 12.716 -0.388 3.837 1.00 0.00 C ATOM 372 NE ARG A 28 13.298 0.972 3.862 1.00 0.00 N ATOM 373 CZ ARG A 28 14.483 1.272 4.411 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.219 0.310 4.985 1.00 0.00 N ATOM 375 NH2 ARG A 28 14.932 2.535 4.387 1.00 0.00 N ATOM 0 H ARG A 28 11.218 -3.653 0.446 1.00 0.00 H new ATOM 0 HA ARG A 28 9.638 -1.621 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.394 -2.588 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.646 -1.877 1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.610 0.420 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.613 -0.398 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.354 -0.656 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.482 -1.116 3.570 1.00 0.00 H new ATOM 0 HE ARG A 28 12.764 1.729 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.877 -0.651 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.121 0.539 5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.372 3.267 3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.834 2.764 4.805 1.00 0.00 H new ATOM 389 N GLY A 29 9.981 0.480 -0.034 1.00 0.00 N ATOM 390 CA GLY A 29 10.122 1.716 -0.785 1.00 0.00 C ATOM 391 C GLY A 29 9.277 1.682 -2.060 1.00 0.00 C ATOM 392 O GLY A 29 8.791 2.717 -2.514 1.00 0.00 O ATOM 0 H GLY A 29 9.093 0.379 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.818 2.559 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.170 1.872 -1.043 1.00 0.00 H new ATOM 396 N GLU A 30 9.128 0.482 -2.602 1.00 0.00 N ATOM 397 CA GLU A 30 8.350 0.300 -3.815 1.00 0.00 C ATOM 398 C GLU A 30 7.010 1.030 -3.701 1.00 0.00 C ATOM 399 O GLU A 30 6.323 0.918 -2.687 1.00 0.00 O ATOM 400 CB GLU A 30 8.142 -1.186 -4.115 1.00 0.00 C ATOM 401 CG GLU A 30 9.311 -1.751 -4.924 1.00 0.00 C ATOM 402 CD GLU A 30 8.835 -2.840 -5.888 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.801 -3.466 -5.571 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.517 -3.022 -6.919 1.00 0.00 O ATOM 0 H GLU A 30 9.533 -0.374 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 30 8.906 0.731 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.041 -1.739 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.213 -1.322 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.791 -0.949 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.061 -2.161 -4.248 1.00 0.00 H new ATOM 411 N LYS A 31 6.678 1.760 -4.755 1.00 0.00 N ATOM 412 CA LYS A 31 5.433 2.508 -4.786 1.00 0.00 C ATOM 413 C LYS A 31 4.274 1.549 -5.067 1.00 0.00 C ATOM 414 O LYS A 31 4.029 1.185 -6.216 1.00 0.00 O ATOM 415 CB LYS A 31 5.527 3.666 -5.781 1.00 0.00 C ATOM 416 CG LYS A 31 6.432 4.777 -5.244 1.00 0.00 C ATOM 417 CD LYS A 31 5.702 5.622 -4.198 1.00 0.00 C ATOM 418 CE LYS A 31 6.695 6.317 -3.265 1.00 0.00 C ATOM 419 NZ LYS A 31 7.226 7.546 -3.896 1.00 0.00 N ATOM 0 H LYS A 31 7.250 1.850 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 31 5.241 2.967 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.916 3.303 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.531 4.065 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.328 4.340 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.760 5.413 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.082 6.368 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.033 4.988 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.205 6.567 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.515 5.640 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.899 8.006 -3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.711 7.299 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.442 8.198 -4.100 1.00 0.00 H new ATOM 433 N ILE A 32 3.592 1.166 -3.997 1.00 0.00 N ATOM 434 CA ILE A 32 2.465 0.257 -4.114 1.00 0.00 C ATOM 435 C ILE A 32 1.175 1.066 -4.259 1.00 0.00 C ATOM 436 O ILE A 32 0.952 2.024 -3.521 1.00 0.00 O ATOM 437 CB ILE A 32 2.446 -0.726 -2.942 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.859 -1.206 -2.606 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.495 -1.893 -3.220 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.367 -2.196 -3.657 1.00 0.00 C ATOM 0 H ILE A 32 3.799 1.469 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 32 2.560 -0.354 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 32 2.066 -0.203 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.533 -0.352 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.862 -1.679 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.500 -2.577 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.485 -1.511 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.821 -2.423 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.374 -2.521 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.704 -3.060 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.386 -1.712 -4.634 1.00 0.00 H new ATOM 452 N LEU A 33 0.358 0.651 -5.217 1.00 0.00 N ATOM 453 CA LEU A 33 -0.904 1.325 -5.468 1.00 0.00 C ATOM 454 C LEU A 33 -2.025 0.594 -4.726 1.00 0.00 C ATOM 455 O LEU A 33 -2.294 -0.575 -4.997 1.00 0.00 O ATOM 456 CB LEU A 33 -1.149 1.461 -6.972 1.00 0.00 C ATOM 457 CG LEU A 33 -1.522 2.860 -7.468 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.733 3.406 -6.709 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.322 3.806 -7.390 1.00 0.00 C ATOM 0 H LEU A 33 0.546 -0.144 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.875 2.343 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.250 1.139 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.946 0.773 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.807 2.786 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.977 4.401 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.585 2.743 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.501 3.463 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.613 4.793 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.016 3.880 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.487 3.419 -8.010 1.00 0.00 H new ATOM 471 N ILE A 34 -2.648 1.313 -3.804 1.00 0.00 N ATOM 472 CA ILE A 34 -3.733 0.748 -3.021 1.00 0.00 C ATOM 473 C ILE A 34 -5.065 1.047 -3.711 1.00 0.00 C ATOM 474 O ILE A 34 -5.796 1.945 -3.296 1.00 0.00 O ATOM 475 CB ILE A 34 -3.665 1.243 -1.575 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.296 0.950 -0.959 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.806 0.657 -0.740 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.933 -0.529 -1.105 1.00 0.00 C ATOM 0 H ILE A 34 -2.422 2.282 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.638 -0.337 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.792 2.326 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.537 1.564 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.302 1.224 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.734 1.025 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.762 0.959 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.736 -0.431 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.955 -0.709 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.681 -1.139 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.904 -0.794 -2.162 1.00 0.00 H new ATOM 490 N LEU A 35 -5.340 0.278 -4.755 1.00 0.00 N ATOM 491 CA LEU A 35 -6.571 0.450 -5.507 1.00 0.00 C ATOM 492 C LEU A 35 -7.745 0.581 -4.534 1.00 0.00 C ATOM 493 O LEU A 35 -8.354 1.644 -4.430 1.00 0.00 O ATOM 494 CB LEU A 35 -6.739 -0.680 -6.525 1.00 0.00 C ATOM 495 CG LEU A 35 -6.189 -0.407 -7.927 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.725 0.034 -7.865 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.384 -1.621 -8.838 1.00 0.00 C ATOM 0 H LEU A 35 -4.731 -0.465 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.536 1.371 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.251 -1.572 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.801 -0.910 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.755 0.416 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.358 0.222 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.645 0.947 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.128 -0.752 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.985 -1.401 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.859 -2.479 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.447 -1.849 -8.918 1.00 0.00 H new ATOM 509 N ARG A 36 -8.026 -0.516 -3.846 1.00 0.00 N ATOM 510 CA ARG A 36 -9.115 -0.537 -2.885 1.00 0.00 C ATOM 511 C ARG A 36 -8.631 -1.097 -1.546 1.00 0.00 C ATOM 512 O ARG A 36 -7.647 -1.834 -1.496 1.00 0.00 O ATOM 513 CB ARG A 36 -10.281 -1.388 -3.393 1.00 0.00 C ATOM 514 CG ARG A 36 -11.578 -0.576 -3.425 1.00 0.00 C ATOM 515 CD ARG A 36 -12.077 -0.396 -4.860 1.00 0.00 C ATOM 516 NE ARG A 36 -13.152 -1.371 -5.149 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.605 -1.646 -6.380 1.00 0.00 C ATOM 518 NH1 ARG A 36 -13.080 -1.022 -7.443 1.00 0.00 N ATOM 519 NH2 ARG A 36 -14.585 -2.545 -6.547 1.00 0.00 N ATOM 0 H ARG A 36 -7.518 -1.396 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.459 0.489 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.056 -1.760 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.408 -2.259 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.341 -1.079 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.412 0.400 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.449 0.619 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.253 -0.533 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.574 -1.864 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.335 -0.337 -7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.425 -1.232 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.985 -3.019 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.930 -2.755 -7.484 1.00 0.00 H new ATOM 533 N GLN A 37 -9.344 -0.726 -0.492 1.00 0.00 N ATOM 534 CA GLN A 37 -8.999 -1.182 0.843 1.00 0.00 C ATOM 535 C GLN A 37 -9.818 -2.421 1.209 1.00 0.00 C ATOM 536 O GLN A 37 -9.260 -3.444 1.603 1.00 0.00 O ATOM 537 CB GLN A 37 -9.203 -0.067 1.872 1.00 0.00 C ATOM 538 CG GLN A 37 -8.125 1.010 1.733 1.00 0.00 C ATOM 539 CD GLN A 37 -8.349 2.142 2.739 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.175 3.020 2.550 1.00 0.00 O ATOM 541 NE2 GLN A 37 -7.569 2.072 3.814 1.00 0.00 N ATOM 0 H GLN A 37 -10.159 -0.115 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.943 -1.453 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.188 0.380 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.176 -0.486 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.141 0.568 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.135 1.412 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.898 1.309 3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.642 2.781 4.544 1.00 0.00 H new ATOM 550 N THR A 38 -11.128 -2.290 1.066 1.00 0.00 N ATOM 551 CA THR A 38 -12.029 -3.387 1.376 1.00 0.00 C ATOM 552 C THR A 38 -12.025 -3.672 2.879 1.00 0.00 C ATOM 553 O THR A 38 -13.024 -3.446 3.560 1.00 0.00 O ATOM 554 CB THR A 38 -11.617 -4.591 0.528 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.643 -4.100 -0.810 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.670 -5.701 0.537 1.00 0.00 C ATOM 0 H THR A 38 -11.588 -1.440 0.739 1.00 0.00 H new ATOM 0 HA THR A 38 -13.060 -3.134 1.128 1.00 0.00 H new ATOM 0 HB THR A 38 -10.670 -4.985 0.895 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.386 -4.817 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.328 -6.532 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.825 -6.047 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.608 -5.315 0.139 1.00 0.00 H new ATOM 564 N THR A 39 -10.889 -4.163 3.352 1.00 0.00 N ATOM 565 CA THR A 39 -10.741 -4.481 4.762 1.00 0.00 C ATOM 566 C THR A 39 -9.602 -3.665 5.376 1.00 0.00 C ATOM 567 O THR A 39 -8.759 -3.129 4.658 1.00 0.00 O ATOM 568 CB THR A 39 -10.541 -5.993 4.887 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.792 -6.342 3.726 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.850 -6.771 4.734 1.00 0.00 C ATOM 0 H THR A 39 -10.062 -4.348 2.784 1.00 0.00 H new ATOM 0 HA THR A 39 -11.634 -4.209 5.325 1.00 0.00 H new ATOM 0 HB THR A 39 -10.094 -6.221 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.014 -5.751 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.652 -7.839 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.551 -6.460 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.281 -6.569 3.753 1.00 0.00 H new ATOM 578 N ALA A 40 -9.612 -3.596 6.700 1.00 0.00 N ATOM 579 CA ALA A 40 -8.591 -2.855 7.419 1.00 0.00 C ATOM 580 C ALA A 40 -7.403 -3.776 7.704 1.00 0.00 C ATOM 581 O ALA A 40 -6.479 -3.399 8.422 1.00 0.00 O ATOM 582 CB ALA A 40 -9.192 -2.265 8.696 1.00 0.00 C ATOM 0 H ALA A 40 -10.312 -4.042 7.293 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.225 -2.023 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.425 -1.709 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.012 -1.595 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.568 -3.070 9.327 1.00 0.00 H new ATOM 588 N ASP A 41 -7.467 -4.967 7.127 1.00 0.00 N ATOM 589 CA ASP A 41 -6.409 -5.946 7.310 1.00 0.00 C ATOM 590 C ASP A 41 -5.837 -6.334 5.945 1.00 0.00 C ATOM 591 O ASP A 41 -4.623 -6.456 5.789 1.00 0.00 O ATOM 592 CB ASP A 41 -6.942 -7.215 7.978 1.00 0.00 C ATOM 593 CG ASP A 41 -6.387 -7.492 9.376 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.639 -6.649 10.264 1.00 0.00 O ATOM 595 OD2 ASP A 41 -5.723 -8.540 9.526 1.00 0.00 O ATOM 0 H ASP A 41 -8.236 -5.276 6.532 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.643 -5.500 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.028 -7.145 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.715 -8.067 7.338 1.00 0.00 H new ATOM 600 N TRP A 42 -6.739 -6.517 4.992 1.00 0.00 N ATOM 601 CA TRP A 42 -6.339 -6.889 3.645 1.00 0.00 C ATOM 602 C TRP A 42 -6.734 -5.750 2.703 1.00 0.00 C ATOM 603 O TRP A 42 -7.883 -5.311 2.702 1.00 0.00 O ATOM 604 CB TRP A 42 -6.948 -8.234 3.245 1.00 0.00 C ATOM 605 CG TRP A 42 -6.278 -9.442 3.904 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.559 -9.993 5.093 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.198 -10.229 3.360 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.742 -11.074 5.354 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.888 -11.222 4.267 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.506 -10.106 2.143 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.879 -12.169 4.052 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.500 -11.060 1.943 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.176 -12.066 2.846 1.00 0.00 C ATOM 0 H TRP A 42 -7.745 -6.415 5.126 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.260 -7.029 3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.007 -8.233 3.504 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.885 -8.342 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.328 -9.636 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.761 -11.657 6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.732 -9.337 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.655 -12.937 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.937 -11.011 1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.385 -12.765 2.618 1.00 0.00 H new ATOM 624 N TRP A 43 -5.759 -5.304 1.925 1.00 0.00 N ATOM 625 CA TRP A 43 -5.991 -4.224 0.980 1.00 0.00 C ATOM 626 C TRP A 43 -5.846 -4.793 -0.433 1.00 0.00 C ATOM 627 O TRP A 43 -5.198 -5.819 -0.629 1.00 0.00 O ATOM 628 CB TRP A 43 -5.051 -3.048 1.251 1.00 0.00 C ATOM 629 CG TRP A 43 -5.337 -2.310 2.560 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.239 -2.621 3.502 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.678 -1.118 3.038 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.210 -1.720 4.547 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.231 -0.777 4.256 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.650 -0.354 2.460 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.819 0.336 4.999 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.250 0.755 3.215 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.796 1.112 4.443 1.00 0.00 C ATOM 0 H TRP A 43 -4.807 -5.670 1.929 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.998 -3.823 1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.024 -3.414 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.123 -2.341 0.424 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.905 -3.470 3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.799 -1.742 5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.204 -0.603 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.267 0.582 5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.462 1.377 2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.432 1.984 4.965 1.00 0.00 H new ATOM 648 N TRP A 44 -6.460 -4.100 -1.381 1.00 0.00 N ATOM 649 CA TRP A 44 -6.407 -4.523 -2.770 1.00 0.00 C ATOM 650 C TRP A 44 -5.437 -3.600 -3.509 1.00 0.00 C ATOM 651 O TRP A 44 -5.742 -2.430 -3.739 1.00 0.00 O ATOM 652 CB TRP A 44 -7.805 -4.542 -3.391 1.00 0.00 C ATOM 653 CG TRP A 44 -7.810 -4.749 -4.907 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.810 -3.814 -5.867 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.816 -6.014 -5.602 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.815 -4.381 -7.125 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.819 -5.761 -6.958 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.819 -7.327 -5.101 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.825 -6.773 -7.926 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.825 -8.327 -6.081 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.828 -8.090 -7.450 1.00 0.00 C ATOM 0 H TRP A 44 -6.997 -3.249 -1.214 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.040 -5.547 -2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.388 -5.336 -2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.306 -3.602 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.807 -2.750 -5.680 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.816 -3.880 -8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.817 -7.547 -4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.827 -6.550 -8.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.827 -9.355 -5.749 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.833 -8.918 -8.144 1.00 0.00 H new ATOM 672 N GLY A 45 -4.289 -4.159 -3.860 1.00 0.00 N ATOM 673 CA GLY A 45 -3.272 -3.400 -4.568 1.00 0.00 C ATOM 674 C GLY A 45 -3.224 -3.794 -6.046 1.00 0.00 C ATOM 675 O GLY A 45 -3.917 -4.718 -6.469 1.00 0.00 O ATOM 0 H GLY A 45 -4.040 -5.129 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.481 -2.334 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.298 -3.574 -4.110 1.00 0.00 H new ATOM 679 N GLU A 46 -2.399 -3.073 -6.791 1.00 0.00 N ATOM 680 CA GLU A 46 -2.252 -3.335 -8.213 1.00 0.00 C ATOM 681 C GLU A 46 -0.795 -3.145 -8.639 1.00 0.00 C ATOM 682 O GLU A 46 -0.236 -2.060 -8.486 1.00 0.00 O ATOM 683 CB GLU A 46 -3.185 -2.443 -9.034 1.00 0.00 C ATOM 684 CG GLU A 46 -2.974 -2.663 -10.533 1.00 0.00 C ATOM 685 CD GLU A 46 -3.719 -1.607 -11.353 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.100 -0.554 -11.618 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.891 -1.877 -11.695 1.00 0.00 O ATOM 0 H GLU A 46 -1.825 -2.308 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.534 -4.371 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.221 -2.657 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.004 -1.397 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.909 -2.623 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.323 -3.657 -10.811 1.00 0.00 H new ATOM 694 N ARG A 47 -0.221 -4.217 -9.166 1.00 0.00 N ATOM 695 CA ARG A 47 1.160 -4.182 -9.616 1.00 0.00 C ATOM 696 C ARG A 47 1.226 -3.800 -11.096 1.00 0.00 C ATOM 697 O ARG A 47 0.211 -3.451 -11.697 1.00 0.00 O ATOM 698 CB ARG A 47 1.839 -5.538 -9.414 1.00 0.00 C ATOM 699 CG ARG A 47 2.621 -5.569 -8.100 1.00 0.00 C ATOM 700 CD ARG A 47 4.119 -5.380 -8.348 1.00 0.00 C ATOM 701 NE ARG A 47 4.625 -6.452 -9.234 1.00 0.00 N ATOM 702 CZ ARG A 47 4.955 -7.681 -8.813 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.834 -8.000 -7.517 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.405 -8.590 -9.688 1.00 0.00 N ATOM 0 H ARG A 47 -0.688 -5.115 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 47 1.685 -3.434 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.088 -6.328 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.513 -5.739 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.257 -4.784 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.450 -6.519 -7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.301 -4.406 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.658 -5.396 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 47 4.729 -6.243 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.491 -7.308 -6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.085 -8.935 -7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.496 -8.347 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.656 -9.525 -9.368 1.00 0.00 H new ATOM 718 N ALA A 48 2.431 -3.880 -11.641 1.00 0.00 N ATOM 719 CA ALA A 48 2.643 -3.548 -13.040 1.00 0.00 C ATOM 720 C ALA A 48 1.865 -4.530 -13.917 1.00 0.00 C ATOM 721 O ALA A 48 2.284 -5.673 -14.098 1.00 0.00 O ATOM 722 CB ALA A 48 4.143 -3.556 -13.345 1.00 0.00 C ATOM 0 H ALA A 48 3.270 -4.170 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 48 2.271 -2.547 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.302 -3.307 -14.394 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.646 -2.820 -12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.550 -4.546 -13.141 1.00 0.00 H new ATOM 728 N GLY A 49 0.746 -4.050 -14.438 1.00 0.00 N ATOM 729 CA GLY A 49 -0.095 -4.872 -15.292 1.00 0.00 C ATOM 730 C GLY A 49 -0.635 -6.083 -14.528 1.00 0.00 C ATOM 731 O GLY A 49 -1.224 -6.984 -15.123 1.00 0.00 O ATOM 0 H GLY A 49 0.402 -3.102 -14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.926 -4.277 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.477 -5.209 -16.157 1.00 0.00 H new ATOM 735 N CYS A 50 -0.415 -6.064 -13.222 1.00 0.00 N ATOM 736 CA CYS A 50 -0.872 -7.149 -12.370 1.00 0.00 C ATOM 737 C CYS A 50 -1.942 -6.599 -11.424 1.00 0.00 C ATOM 738 O CYS A 50 -2.057 -5.387 -11.249 1.00 0.00 O ATOM 739 CB CYS A 50 0.286 -7.796 -11.608 1.00 0.00 C ATOM 740 SG CYS A 50 0.834 -9.313 -12.472 1.00 0.00 S ATOM 0 H CYS A 50 0.074 -5.314 -12.733 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.303 -7.940 -12.984 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.116 -7.094 -11.527 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.027 -8.039 -10.592 1.00 0.00 H new ATOM 0 HG CYS A 50 1.819 -9.853 -11.818 1.00 0.00 H new ATOM 746 N CYS A 51 -2.697 -7.517 -10.839 1.00 0.00 N ATOM 747 CA CYS A 51 -3.753 -7.139 -9.915 1.00 0.00 C ATOM 748 C CYS A 51 -3.894 -8.246 -8.868 1.00 0.00 C ATOM 749 O CYS A 51 -4.304 -9.360 -9.188 1.00 0.00 O ATOM 750 CB CYS A 51 -5.072 -6.872 -10.643 1.00 0.00 C ATOM 751 SG CYS A 51 -5.495 -8.293 -11.715 1.00 0.00 S ATOM 0 H CYS A 51 -2.599 -8.521 -10.987 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.490 -6.204 -9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.869 -6.703 -9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.989 -5.966 -11.243 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.115 -9.397 -11.143 1.00 0.00 H new ATOM 757 N GLY A 52 -3.545 -7.900 -7.637 1.00 0.00 N ATOM 758 CA GLY A 52 -3.627 -8.850 -6.541 1.00 0.00 C ATOM 759 C GLY A 52 -3.953 -8.141 -5.225 1.00 0.00 C ATOM 760 O GLY A 52 -4.131 -6.925 -5.198 1.00 0.00 O ATOM 0 H GLY A 52 -3.205 -6.975 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.393 -9.595 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.681 -9.384 -6.446 1.00 0.00 H new ATOM 764 N TYR A 53 -4.020 -8.933 -4.165 1.00 0.00 N ATOM 765 CA TYR A 53 -4.321 -8.397 -2.848 1.00 0.00 C ATOM 766 C TYR A 53 -3.041 -8.183 -2.037 1.00 0.00 C ATOM 767 O TYR A 53 -2.065 -8.912 -2.209 1.00 0.00 O ATOM 768 CB TYR A 53 -5.183 -9.451 -2.150 1.00 0.00 C ATOM 769 CG TYR A 53 -6.687 -9.189 -2.248 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.301 -8.350 -1.341 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.429 -9.791 -3.243 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.717 -8.103 -1.432 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.845 -9.544 -3.335 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.419 -8.713 -2.425 1.00 0.00 C ATOM 775 OH TYR A 53 -10.756 -8.480 -2.512 1.00 0.00 O ATOM 0 H TYR A 53 -3.871 -9.942 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.825 -7.434 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.966 -10.428 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.901 -9.498 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.720 -7.878 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.948 -10.448 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.210 -7.449 -0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.437 -10.008 -4.109 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.127 -8.980 -3.269 1.00 0.00 H new ATOM 785 N ILE A 54 -3.087 -7.182 -1.171 1.00 0.00 N ATOM 786 CA ILE A 54 -1.943 -6.864 -0.334 1.00 0.00 C ATOM 787 C ILE A 54 -2.406 -6.708 1.116 1.00 0.00 C ATOM 788 O ILE A 54 -3.541 -6.307 1.370 1.00 0.00 O ATOM 789 CB ILE A 54 -1.204 -5.639 -0.878 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.189 -4.586 -1.388 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.191 -6.043 -1.951 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.472 -3.273 -1.708 1.00 0.00 C ATOM 0 H ILE A 54 -3.899 -6.580 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.219 -7.679 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.644 -5.186 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.693 -4.956 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.960 -4.410 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.321 -5.155 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.539 -6.730 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.710 -6.533 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.196 -2.542 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.990 -2.893 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.719 -3.448 -2.476 1.00 0.00 H new ATOM 804 N PRO A 55 -1.479 -7.040 2.054 1.00 0.00 N ATOM 805 CA PRO A 55 -1.781 -6.941 3.472 1.00 0.00 C ATOM 806 C PRO A 55 -1.774 -5.482 3.934 1.00 0.00 C ATOM 807 O PRO A 55 -1.345 -4.596 3.196 1.00 0.00 O ATOM 808 CB PRO A 55 -0.721 -7.786 4.160 1.00 0.00 C ATOM 809 CG PRO A 55 0.404 -7.947 3.150 1.00 0.00 C ATOM 810 CD PRO A 55 -0.125 -7.518 1.791 1.00 0.00 C ATOM 0 HA PRO A 55 -2.780 -7.303 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.364 -7.301 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.124 -8.755 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.263 -7.339 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.743 -8.982 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.494 -6.734 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.129 -8.350 1.087 1.00 0.00 H new ATOM 818 N ALA A 56 -2.255 -5.278 5.151 1.00 0.00 N ATOM 819 CA ALA A 56 -2.311 -3.942 5.719 1.00 0.00 C ATOM 820 C ALA A 56 -1.345 -3.856 6.903 1.00 0.00 C ATOM 821 O ALA A 56 -1.744 -4.053 8.050 1.00 0.00 O ATOM 822 CB ALA A 56 -3.752 -3.616 6.118 1.00 0.00 C ATOM 0 H ALA A 56 -2.610 -6.016 5.760 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.000 -3.199 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.794 -2.614 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.393 -3.663 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.097 -4.339 6.857 1.00 0.00 H new ATOM 828 N ASN A 57 -0.093 -3.561 6.584 1.00 0.00 N ATOM 829 CA ASN A 57 0.933 -3.446 7.606 1.00 0.00 C ATOM 830 C ASN A 57 2.299 -3.284 6.936 1.00 0.00 C ATOM 831 O ASN A 57 3.136 -2.515 7.404 1.00 0.00 O ATOM 832 CB ASN A 57 0.980 -4.699 8.482 1.00 0.00 C ATOM 833 CG ASN A 57 1.173 -4.333 9.955 1.00 0.00 C ATOM 834 OD1 ASN A 57 0.258 -4.386 10.759 1.00 0.00 O ATOM 835 ND2 ASN A 57 2.412 -3.959 10.261 1.00 0.00 N ATOM 0 H ASN A 57 0.234 -3.398 5.632 1.00 0.00 H new ATOM 0 HA ASN A 57 0.696 -2.582 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.056 -5.265 8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.794 -5.345 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.643 -3.694 11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.131 -3.937 9.538 1.00 0.00 H new ATOM 842 N HIS A 58 2.481 -4.023 5.851 1.00 0.00 N ATOM 843 CA HIS A 58 3.731 -3.971 5.113 1.00 0.00 C ATOM 844 C HIS A 58 3.856 -2.618 4.410 1.00 0.00 C ATOM 845 O HIS A 58 4.963 -2.158 4.133 1.00 0.00 O ATOM 846 CB HIS A 58 3.840 -5.153 4.147 1.00 0.00 C ATOM 847 CG HIS A 58 4.540 -6.358 4.728 1.00 0.00 C ATOM 848 ND1 HIS A 58 3.856 -7.439 5.256 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.868 -6.641 4.858 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.742 -8.327 5.683 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.989 -7.830 5.436 1.00 0.00 N ATOM 0 H HIS A 58 1.784 -4.660 5.466 1.00 0.00 H new ATOM 0 HA HIS A 58 4.570 -4.061 5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.838 -5.445 3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.375 -4.831 3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.683 -6.006 4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.517 -9.277 6.145 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.869 -8.295 5.659 1.00 0.00 H new ATOM 859 N VAL A 59 2.706 -2.017 4.142 1.00 0.00 N ATOM 860 CA VAL A 59 2.673 -0.726 3.477 1.00 0.00 C ATOM 861 C VAL A 59 2.140 0.329 4.448 1.00 0.00 C ATOM 862 O VAL A 59 1.336 0.021 5.325 1.00 0.00 O ATOM 863 CB VAL A 59 1.853 -0.822 2.189 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.584 -1.654 1.134 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.460 -1.389 2.466 1.00 0.00 C ATOM 0 H VAL A 59 1.790 -2.401 4.374 1.00 0.00 H new ATOM 0 HA VAL A 59 3.678 -0.421 3.185 1.00 0.00 H new ATOM 0 HB VAL A 59 1.731 0.187 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.979 -1.706 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.542 -1.189 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.752 -2.661 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.101 -1.446 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.552 -2.386 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.065 -0.739 3.166 1.00 0.00 H new