USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 348 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 TYR OH : rot -101:sc= 0.683 USER MOD Single : A 26 CYS SG : rot 80:sc= -2.37 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.4) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.0027) USER MOD Single : A 41 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.180 -4.776 -12.255 1.00 0.00 N ATOM 2 CA GLN A 1 30.831 -5.767 -11.405 1.00 0.00 C ATOM 3 C GLN A 1 30.619 -5.366 -9.944 1.00 0.00 C ATOM 4 O GLN A 1 29.820 -5.947 -9.228 1.00 0.00 O ATOM 5 CB GLN A 1 32.334 -5.914 -11.728 1.00 0.00 C ATOM 6 CG GLN A 1 33.142 -6.828 -10.771 1.00 0.00 C ATOM 7 CD GLN A 1 34.569 -6.261 -10.601 1.00 0.00 C ATOM 8 OE1 GLN A 1 34.767 -5.182 -10.076 1.00 0.00 O ATOM 9 NE2 GLN A 1 35.517 -6.996 -11.218 1.00 0.00 N ATOM 0 H1 GLN A 1 30.314 -5.033 -13.254 1.00 0.00 H new ATOM 0 H2 GLN A 1 29.163 -4.747 -12.039 1.00 0.00 H new ATOM 0 H3 GLN A 1 30.598 -3.840 -12.080 1.00 0.00 H new ATOM 0 HA GLN A 1 30.383 -6.743 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 1 32.432 -6.303 -12.741 1.00 0.00 H new ATOM 0 HB3 GLN A 1 32.787 -4.922 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 1 32.645 -6.888 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 1 33.187 -7.841 -11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 1 35.274 -7.894 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 1 36.477 -6.654 -11.266 1.00 0.00 H new ATOM 20 N GLU A 2 31.411 -4.338 -9.564 1.00 0.00 N ATOM 21 CA GLU A 2 31.440 -3.925 -8.174 1.00 0.00 C ATOM 22 C GLU A 2 31.468 -2.409 -8.013 1.00 0.00 C ATOM 23 O GLU A 2 31.546 -1.923 -6.898 1.00 0.00 O ATOM 24 CB GLU A 2 32.641 -4.588 -7.485 1.00 0.00 C ATOM 25 CG GLU A 2 32.334 -4.927 -6.028 1.00 0.00 C ATOM 26 CD GLU A 2 31.152 -5.918 -5.910 1.00 0.00 C ATOM 27 OE1 GLU A 2 31.305 -7.068 -6.324 1.00 0.00 O ATOM 28 OE2 GLU A 2 30.094 -5.531 -5.411 1.00 0.00 O ATOM 0 H GLU A 2 32.014 -3.804 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 2 30.517 -4.253 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.913 -5.497 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.502 -3.921 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 2 33.219 -5.358 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.099 -4.013 -5.483 1.00 0.00 H new ATOM 35 N LYS A 3 31.360 -1.711 -9.168 1.00 0.00 N ATOM 36 CA LYS A 3 31.295 -0.252 -9.231 1.00 0.00 C ATOM 37 C LYS A 3 30.145 0.359 -8.402 1.00 0.00 C ATOM 38 O LYS A 3 30.160 1.538 -8.081 1.00 0.00 O ATOM 39 CB LYS A 3 31.238 0.189 -10.694 1.00 0.00 C ATOM 40 CG LYS A 3 30.186 -0.561 -11.522 1.00 0.00 C ATOM 41 CD LYS A 3 29.503 0.349 -12.546 1.00 0.00 C ATOM 42 CE LYS A 3 28.778 -0.440 -13.636 1.00 0.00 C ATOM 43 NZ LYS A 3 27.835 0.397 -14.370 1.00 0.00 N ATOM 0 H LYS A 3 31.316 -2.159 -10.083 1.00 0.00 H new ATOM 0 HA LYS A 3 32.203 0.134 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.026 1.257 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.218 0.041 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.660 -1.396 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.434 -0.984 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.790 0.996 -12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 3 30.249 0.997 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 3 29.508 -0.859 -14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 3 28.247 -1.279 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 27.362 -0.172 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 27.124 0.777 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 28.346 1.183 -14.820 1.00 0.00 H new ATOM 57 N GLU A 4 29.177 -0.515 -8.069 1.00 0.00 N ATOM 58 CA GLU A 4 28.006 -0.151 -7.281 1.00 0.00 C ATOM 59 C GLU A 4 28.370 0.136 -5.821 1.00 0.00 C ATOM 60 O GLU A 4 27.866 1.059 -5.202 1.00 0.00 O ATOM 61 CB GLU A 4 27.024 -1.331 -7.367 1.00 0.00 C ATOM 62 CG GLU A 4 25.617 -0.875 -7.772 1.00 0.00 C ATOM 63 CD GLU A 4 24.859 -1.905 -8.634 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.228 -3.079 -8.639 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.904 -1.511 -9.303 1.00 0.00 O ATOM 0 H GLU A 4 29.194 -1.497 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 4 27.562 0.764 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.392 -2.058 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.978 -1.836 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.037 -0.670 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.692 0.062 -8.323 1.00 0.00 H new ATOM 72 N ALA A 5 29.295 -0.715 -5.331 1.00 0.00 N ATOM 73 CA ALA A 5 29.827 -0.465 -4.005 1.00 0.00 C ATOM 74 C ALA A 5 30.851 0.674 -4.047 1.00 0.00 C ATOM 75 O ALA A 5 31.158 1.224 -2.996 1.00 0.00 O ATOM 76 CB ALA A 5 30.415 -1.743 -3.402 1.00 0.00 C ATOM 0 H ALA A 5 29.664 -1.534 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 5 29.011 -0.151 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.807 -1.529 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.637 -2.503 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.220 -2.109 -4.039 1.00 0.00 H new ATOM 82 N ILE A 6 31.379 1.042 -5.232 1.00 0.00 N ATOM 83 CA ILE A 6 32.480 2.019 -5.246 1.00 0.00 C ATOM 84 C ILE A 6 31.986 3.446 -4.979 1.00 0.00 C ATOM 85 O ILE A 6 32.734 4.284 -4.495 1.00 0.00 O ATOM 86 CB ILE A 6 33.348 1.935 -6.518 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.775 0.491 -6.786 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.605 2.828 -6.474 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.570 0.343 -8.091 1.00 0.00 C ATOM 0 H ILE A 6 31.080 0.698 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 6 33.135 1.745 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 6 32.716 2.305 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.381 0.135 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.890 -0.144 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.164 2.715 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.307 3.870 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.233 2.531 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.848 -0.702 -8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.957 0.671 -8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.471 0.954 -8.039 1.00 0.00 H new ATOM 101 N GLU A 7 30.701 3.670 -5.285 1.00 0.00 N ATOM 102 CA GLU A 7 30.069 4.951 -4.996 1.00 0.00 C ATOM 103 C GLU A 7 29.470 4.949 -3.578 1.00 0.00 C ATOM 104 O GLU A 7 29.163 5.996 -3.035 1.00 0.00 O ATOM 105 CB GLU A 7 29.012 5.229 -6.075 1.00 0.00 C ATOM 106 CG GLU A 7 27.939 4.131 -6.169 1.00 0.00 C ATOM 107 CD GLU A 7 26.930 4.335 -7.315 1.00 0.00 C ATOM 108 OE1 GLU A 7 27.173 5.160 -8.195 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.905 3.652 -7.315 1.00 0.00 O ATOM 0 H GLU A 7 30.089 2.984 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 7 30.807 5.753 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.529 6.183 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.506 5.329 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.431 3.167 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.396 4.086 -5.225 1.00 0.00 H new ATOM 116 N ARG A 8 29.336 3.722 -3.017 1.00 0.00 N ATOM 117 CA ARG A 8 28.780 3.563 -1.677 1.00 0.00 C ATOM 118 C ARG A 8 29.869 3.755 -0.623 1.00 0.00 C ATOM 119 O ARG A 8 29.743 4.586 0.260 1.00 0.00 O ATOM 120 CB ARG A 8 28.124 2.174 -1.549 1.00 0.00 C ATOM 121 CG ARG A 8 26.673 2.251 -1.042 1.00 0.00 C ATOM 122 CD ARG A 8 25.653 1.645 -2.013 1.00 0.00 C ATOM 123 NE ARG A 8 25.173 0.364 -1.511 1.00 0.00 N ATOM 124 CZ ARG A 8 24.184 -0.313 -2.133 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.661 0.140 -3.269 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.731 -1.440 -1.593 1.00 0.00 N ATOM 0 H ARG A 8 29.604 2.850 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 8 28.017 4.324 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.140 1.677 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.712 1.560 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.603 1.734 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.415 3.294 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 8 24.814 2.329 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.110 1.511 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 8 25.594 -0.031 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.007 1.007 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.914 -0.380 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.130 -1.783 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.984 -1.961 -2.052 1.00 0.00 H new ATOM 140 N LEU A 9 30.930 2.942 -0.811 1.00 0.00 N ATOM 141 CA LEU A 9 32.185 2.956 -0.070 1.00 0.00 C ATOM 142 C LEU A 9 32.769 4.386 -0.105 1.00 0.00 C ATOM 143 O LEU A 9 33.090 4.953 0.931 1.00 0.00 O ATOM 144 CB LEU A 9 33.137 1.912 -0.667 1.00 0.00 C ATOM 145 CG LEU A 9 32.594 0.469 -0.677 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.272 -0.295 -1.816 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.765 -0.267 0.651 1.00 0.00 C ATOM 0 H LEU A 9 30.921 2.219 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 9 32.029 2.689 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.375 2.202 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.071 1.929 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 9 31.517 0.523 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.900 -1.319 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.049 0.193 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.350 -0.304 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.359 -1.275 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.824 -0.323 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.234 0.271 1.436 1.00 0.00 H new ATOM 159 N LYS A 10 32.829 4.969 -1.324 1.00 0.00 N ATOM 160 CA LYS A 10 33.256 6.374 -1.423 1.00 0.00 C ATOM 161 C LYS A 10 32.307 7.350 -0.693 1.00 0.00 C ATOM 162 O LYS A 10 32.750 8.355 -0.163 1.00 0.00 O ATOM 163 CB LYS A 10 33.322 6.852 -2.878 1.00 0.00 C ATOM 164 CG LYS A 10 34.643 6.532 -3.575 1.00 0.00 C ATOM 165 CD LYS A 10 34.911 7.516 -4.718 1.00 0.00 C ATOM 166 CE LYS A 10 33.673 7.753 -5.594 1.00 0.00 C ATOM 167 NZ LYS A 10 34.025 8.161 -6.945 1.00 0.00 N ATOM 0 H LYS A 10 32.600 4.514 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 10 34.240 6.387 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.507 6.394 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.161 7.930 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.459 6.575 -2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.616 5.514 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.246 8.467 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.723 7.135 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.079 6.840 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.048 8.519 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.158 8.310 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.569 9.046 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.600 7.419 -7.393 1.00 0.00 H new ATOM 181 N ALA A 11 30.994 7.021 -0.726 1.00 0.00 N ATOM 182 CA ALA A 11 29.994 7.925 -0.151 1.00 0.00 C ATOM 183 C ALA A 11 30.126 8.070 1.378 1.00 0.00 C ATOM 184 O ALA A 11 29.638 9.034 1.948 1.00 0.00 O ATOM 185 CB ALA A 11 28.573 7.473 -0.511 1.00 0.00 C ATOM 0 H ALA A 11 30.620 6.164 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 11 30.184 8.905 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.850 8.161 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.457 7.467 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.401 6.469 -0.122 1.00 0.00 H new ATOM 191 N LEU A 12 30.825 7.092 2.001 1.00 0.00 N ATOM 192 CA LEU A 12 31.098 7.161 3.433 1.00 0.00 C ATOM 193 C LEU A 12 32.259 8.152 3.758 1.00 0.00 C ATOM 194 O LEU A 12 32.656 8.269 4.909 1.00 0.00 O ATOM 195 CB LEU A 12 31.458 5.753 3.941 1.00 0.00 C ATOM 196 CG LEU A 12 30.343 4.680 3.980 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.519 3.662 2.853 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.367 3.903 5.300 1.00 0.00 C ATOM 0 H LEU A 12 31.199 6.266 1.534 1.00 0.00 H new ATOM 0 HA LEU A 12 30.203 7.531 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.266 5.371 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.856 5.855 4.950 1.00 0.00 H new ATOM 0 HG LEU A 12 29.398 5.213 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.722 2.920 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.477 4.173 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.484 3.166 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.572 3.157 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.331 3.406 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.215 4.592 6.131 1.00 0.00 H new ATOM 210 N GLY A 13 32.766 8.854 2.711 1.00 0.00 N ATOM 211 CA GLY A 13 33.794 9.888 2.867 1.00 0.00 C ATOM 212 C GLY A 13 35.205 9.382 2.524 1.00 0.00 C ATOM 213 O GLY A 13 36.191 9.877 3.052 1.00 0.00 O ATOM 0 H GLY A 13 32.469 8.712 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.551 10.735 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.783 10.252 3.894 1.00 0.00 H new ATOM 217 N PHE A 14 35.228 8.358 1.633 1.00 0.00 N ATOM 218 CA PHE A 14 36.462 7.646 1.289 1.00 0.00 C ATOM 219 C PHE A 14 36.878 8.034 -0.148 1.00 0.00 C ATOM 220 O PHE A 14 36.675 9.173 -0.565 1.00 0.00 O ATOM 221 CB PHE A 14 36.233 6.126 1.489 1.00 0.00 C ATOM 222 CG PHE A 14 35.698 5.765 2.858 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.906 6.579 3.974 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.926 4.614 3.005 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.263 6.310 5.170 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.287 4.343 4.205 1.00 0.00 C ATOM 227 CZ PHE A 14 34.430 5.217 5.278 1.00 0.00 C ATOM 0 H PHE A 14 34.400 8.015 1.146 1.00 0.00 H new ATOM 0 HA PHE A 14 37.290 7.926 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.535 5.770 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.175 5.602 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.574 7.425 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.825 3.928 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.414 6.958 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.680 3.456 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.888 5.039 6.195 1.00 0.00 H new ATOM 237 N GLU A 15 37.469 7.055 -0.867 1.00 0.00 N ATOM 238 CA GLU A 15 37.996 7.268 -2.219 1.00 0.00 C ATOM 239 C GLU A 15 38.085 5.911 -2.914 1.00 0.00 C ATOM 240 O GLU A 15 38.458 4.921 -2.292 1.00 0.00 O ATOM 241 CB GLU A 15 39.398 7.908 -2.183 1.00 0.00 C ATOM 242 CG GLU A 15 39.726 8.703 -3.459 1.00 0.00 C ATOM 243 CD GLU A 15 39.422 10.208 -3.329 1.00 0.00 C ATOM 244 OE1 GLU A 15 38.439 10.564 -2.679 1.00 0.00 O ATOM 245 OE2 GLU A 15 40.176 11.010 -3.881 1.00 0.00 O ATOM 0 H GLU A 15 37.590 6.103 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 15 37.331 7.945 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.467 8.571 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.145 7.126 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.781 8.571 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.154 8.294 -4.292 1.00 0.00 H new ATOM 252 N GLU A 16 37.739 5.925 -4.216 1.00 0.00 N ATOM 253 CA GLU A 16 37.622 4.743 -5.075 1.00 0.00 C ATOM 254 C GLU A 16 38.878 3.818 -5.052 1.00 0.00 C ATOM 255 O GLU A 16 38.791 2.653 -5.416 1.00 0.00 O ATOM 256 CB GLU A 16 37.241 5.197 -6.494 1.00 0.00 C ATOM 257 CG GLU A 16 37.558 4.198 -7.625 1.00 0.00 C ATOM 258 CD GLU A 16 36.914 4.561 -8.978 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.269 5.605 -9.080 1.00 0.00 O ATOM 260 OE2 GLU A 16 37.067 3.786 -9.921 1.00 0.00 O ATOM 0 H GLU A 16 37.527 6.792 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 16 36.830 4.111 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.172 5.411 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.757 6.133 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.639 4.140 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.218 3.206 -7.326 1.00 0.00 H new ATOM 267 N SER A 17 40.024 4.373 -4.604 1.00 0.00 N ATOM 268 CA SER A 17 41.246 3.588 -4.486 1.00 0.00 C ATOM 269 C SER A 17 41.258 2.784 -3.173 1.00 0.00 C ATOM 270 O SER A 17 41.460 1.582 -3.194 1.00 0.00 O ATOM 271 CB SER A 17 42.449 4.537 -4.529 1.00 0.00 C ATOM 272 OG SER A 17 42.892 4.696 -5.868 1.00 0.00 O ATOM 0 H SER A 17 40.117 5.349 -4.324 1.00 0.00 H new ATOM 0 HA SER A 17 41.297 2.881 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.174 5.505 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.257 4.141 -3.914 1.00 0.00 H new ATOM 0 HG SER A 17 43.660 5.305 -5.888 1.00 0.00 H new ATOM 278 N LEU A 18 41.030 3.503 -2.042 1.00 0.00 N ATOM 279 CA LEU A 18 40.983 2.801 -0.748 1.00 0.00 C ATOM 280 C LEU A 18 39.785 1.861 -0.685 1.00 0.00 C ATOM 281 O LEU A 18 39.781 0.907 0.101 1.00 0.00 O ATOM 282 CB LEU A 18 41.082 3.759 0.460 1.00 0.00 C ATOM 283 CG LEU A 18 39.806 4.454 0.994 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.532 4.133 2.474 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.906 5.974 0.839 1.00 0.00 C ATOM 0 H LEU A 18 40.884 4.512 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 18 41.876 2.180 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.517 3.197 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.794 4.542 0.197 1.00 0.00 H new ATOM 0 HG LEU A 18 38.981 4.066 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.626 4.646 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.402 3.058 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.373 4.468 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.997 6.439 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.765 6.341 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.026 6.225 -0.215 1.00 0.00 H new ATOM 297 N VAL A 19 38.814 2.165 -1.549 1.00 0.00 N ATOM 298 CA VAL A 19 37.548 1.473 -1.723 1.00 0.00 C ATOM 299 C VAL A 19 37.754 0.144 -2.442 1.00 0.00 C ATOM 300 O VAL A 19 37.412 -0.902 -1.920 1.00 0.00 O ATOM 301 CB VAL A 19 36.666 2.430 -2.529 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.597 1.759 -3.388 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.086 3.573 -1.676 1.00 0.00 C ATOM 0 H VAL A 19 38.904 2.956 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 19 37.081 1.224 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 19 37.358 2.875 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.026 2.521 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.074 1.095 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.927 1.182 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.470 4.218 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.476 3.156 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.901 4.156 -1.246 1.00 0.00 H new ATOM 313 N ILE A 20 38.308 0.259 -3.667 1.00 0.00 N ATOM 314 CA ILE A 20 38.530 -0.918 -4.498 1.00 0.00 C ATOM 315 C ILE A 20 39.394 -1.938 -3.780 1.00 0.00 C ATOM 316 O ILE A 20 39.029 -3.095 -3.703 1.00 0.00 O ATOM 317 CB ILE A 20 39.127 -0.518 -5.859 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.008 -0.073 -6.805 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.990 -1.611 -6.528 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.080 -1.229 -7.213 1.00 0.00 C ATOM 0 H ILE A 20 38.601 1.141 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 20 37.566 -1.391 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 20 39.810 0.307 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.419 0.707 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.448 0.367 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.369 -1.243 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.827 -1.862 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.383 -2.500 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.306 -0.855 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.660 -1.999 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.615 -1.654 -6.323 1.00 0.00 H new ATOM 332 N GLN A 21 40.527 -1.434 -3.264 1.00 0.00 N ATOM 333 CA GLN A 21 41.463 -2.276 -2.536 1.00 0.00 C ATOM 334 C GLN A 21 40.878 -2.779 -1.194 1.00 0.00 C ATOM 335 O GLN A 21 41.280 -3.824 -0.712 1.00 0.00 O ATOM 336 CB GLN A 21 42.736 -1.464 -2.286 1.00 0.00 C ATOM 337 CG GLN A 21 43.533 -1.161 -3.564 1.00 0.00 C ATOM 338 CD GLN A 21 44.563 -0.054 -3.279 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.076 0.086 -2.184 1.00 0.00 O ATOM 340 NE2 GLN A 21 44.795 0.737 -4.342 1.00 0.00 N ATOM 0 H GLN A 21 40.807 -0.456 -3.341 1.00 0.00 H new ATOM 0 HA GLN A 21 41.677 -3.162 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.468 -0.524 -1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.374 -2.009 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 21 44.039 -2.062 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 21 42.858 -0.847 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.324 0.552 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.442 1.521 -4.262 1.00 0.00 H new ATOM 349 N ALA A 22 39.916 -2.000 -0.640 1.00 0.00 N ATOM 350 CA ALA A 22 39.204 -2.416 0.576 1.00 0.00 C ATOM 351 C ALA A 22 38.079 -3.407 0.286 1.00 0.00 C ATOM 352 O ALA A 22 37.571 -4.030 1.205 1.00 0.00 O ATOM 353 CB ALA A 22 38.490 -1.239 1.249 1.00 0.00 C ATOM 0 H ALA A 22 39.625 -1.097 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 22 39.982 -2.852 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.976 -1.589 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.221 -0.479 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.764 -0.810 0.558 1.00 0.00 H new ATOM 359 N TYR A 23 37.698 -3.482 -1.002 1.00 0.00 N ATOM 360 CA TYR A 23 36.600 -4.343 -1.423 1.00 0.00 C ATOM 361 C TYR A 23 37.159 -5.594 -2.109 1.00 0.00 C ATOM 362 O TYR A 23 36.482 -6.607 -2.181 1.00 0.00 O ATOM 363 CB TYR A 23 35.660 -3.564 -2.361 1.00 0.00 C ATOM 364 CG TYR A 23 34.215 -3.908 -2.120 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.526 -3.283 -1.096 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.555 -4.833 -2.908 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.177 -3.549 -0.871 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.210 -5.114 -2.703 1.00 0.00 C ATOM 369 CZ TYR A 23 31.514 -4.453 -1.691 1.00 0.00 C ATOM 370 OH TYR A 23 30.163 -4.669 -1.474 1.00 0.00 O ATOM 0 H TYR A 23 38.137 -2.957 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 23 36.025 -4.661 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.807 -2.494 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.917 -3.784 -3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.042 -2.578 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.092 -5.344 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.651 -3.057 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.706 -5.840 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 23 30.041 -5.509 -0.984 1.00 0.00 H new ATOM 380 N PHE A 24 38.409 -5.477 -2.599 1.00 0.00 N ATOM 381 CA PHE A 24 39.078 -6.553 -3.326 1.00 0.00 C ATOM 382 C PHE A 24 39.861 -7.420 -2.321 1.00 0.00 C ATOM 383 O PHE A 24 39.867 -8.635 -2.408 1.00 0.00 O ATOM 384 CB PHE A 24 40.040 -5.981 -4.395 1.00 0.00 C ATOM 385 CG PHE A 24 39.552 -6.182 -5.810 1.00 0.00 C ATOM 386 CD1 PHE A 24 38.501 -5.437 -6.330 1.00 0.00 C ATOM 387 CD2 PHE A 24 40.153 -7.143 -6.615 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.046 -5.658 -7.626 1.00 0.00 C ATOM 389 CE2 PHE A 24 39.706 -7.368 -7.910 1.00 0.00 C ATOM 390 CZ PHE A 24 38.651 -6.627 -8.415 1.00 0.00 C ATOM 0 H PHE A 24 38.974 -4.634 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 24 38.330 -7.159 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.179 -4.915 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 24 41.016 -6.453 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 24 38.032 -4.678 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 24 40.978 -7.722 -6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 24 37.224 -5.077 -8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 24 40.181 -8.120 -8.523 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.299 -6.803 -9.421 1.00 0.00 H new ATOM 400 N ALA A 25 40.510 -6.705 -1.366 1.00 0.00 N ATOM 401 CA ALA A 25 41.269 -7.361 -0.302 1.00 0.00 C ATOM 402 C ALA A 25 40.334 -8.055 0.708 1.00 0.00 C ATOM 403 O ALA A 25 40.712 -9.022 1.351 1.00 0.00 O ATOM 404 CB ALA A 25 42.144 -6.331 0.422 1.00 0.00 C ATOM 0 H ALA A 25 40.516 -5.686 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 25 41.901 -8.124 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.707 -6.825 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.836 -5.878 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.511 -5.557 0.856 1.00 0.00 H new ATOM 410 N CYS A 26 39.097 -7.512 0.780 1.00 0.00 N ATOM 411 CA CYS A 26 38.049 -8.097 1.615 1.00 0.00 C ATOM 412 C CYS A 26 37.321 -9.270 0.926 1.00 0.00 C ATOM 413 O CYS A 26 36.366 -9.792 1.486 1.00 0.00 O ATOM 414 CB CYS A 26 37.022 -7.012 1.964 1.00 0.00 C ATOM 415 SG CYS A 26 37.376 -6.286 3.590 1.00 0.00 S ATOM 0 H CYS A 26 38.812 -6.676 0.270 1.00 0.00 H new ATOM 0 HA CYS A 26 38.530 -8.490 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.037 -6.233 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.020 -7.440 1.963 1.00 0.00 H new ATOM 0 HG CYS A 26 38.331 -5.411 3.476 1.00 0.00 H new ATOM 421 N GLU A 27 37.780 -9.647 -0.296 1.00 0.00 N ATOM 422 CA GLU A 27 37.110 -10.688 -1.085 1.00 0.00 C ATOM 423 C GLU A 27 35.643 -10.303 -1.375 1.00 0.00 C ATOM 424 O GLU A 27 34.711 -10.982 -0.988 1.00 0.00 O ATOM 425 CB GLU A 27 37.295 -12.065 -0.402 1.00 0.00 C ATOM 426 CG GLU A 27 36.412 -13.229 -0.913 1.00 0.00 C ATOM 427 CD GLU A 27 35.211 -13.543 0.020 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.430 -13.744 1.215 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.074 -13.588 -0.453 1.00 0.00 O ATOM 0 H GLU A 27 38.603 -9.244 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 27 37.575 -10.774 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.339 -12.359 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.108 -11.942 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.037 -12.983 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.026 -14.123 -1.017 1.00 0.00 H new ATOM 436 N LYS A 28 35.517 -9.159 -2.083 1.00 0.00 N ATOM 437 CA LYS A 28 34.250 -8.612 -2.571 1.00 0.00 C ATOM 438 C LYS A 28 33.049 -8.874 -1.636 1.00 0.00 C ATOM 439 O LYS A 28 32.034 -9.434 -2.029 1.00 0.00 O ATOM 440 CB LYS A 28 34.030 -9.078 -4.028 1.00 0.00 C ATOM 441 CG LYS A 28 34.465 -8.009 -5.034 1.00 0.00 C ATOM 442 CD LYS A 28 35.983 -7.818 -5.109 1.00 0.00 C ATOM 443 CE LYS A 28 36.615 -8.427 -6.358 1.00 0.00 C ATOM 444 NZ LYS A 28 36.387 -9.854 -6.501 1.00 0.00 N ATOM 0 H LYS A 28 36.320 -8.582 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 28 34.320 -7.524 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.591 -9.995 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 28 32.977 -9.314 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.092 -8.279 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 28 34.001 -7.060 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.208 -6.752 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.441 -8.264 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 28 36.221 -7.917 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.689 -8.242 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.846 -10.193 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.787 -10.353 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.365 -10.039 -6.554 1.00 0.00 H new ATOM 458 N ASN A 29 33.255 -8.451 -0.367 1.00 0.00 N ATOM 459 CA ASN A 29 32.270 -8.739 0.674 1.00 0.00 C ATOM 460 C ASN A 29 31.434 -7.469 0.884 1.00 0.00 C ATOM 461 O ASN A 29 31.187 -6.755 -0.077 1.00 0.00 O ATOM 462 CB ASN A 29 32.990 -9.274 1.927 1.00 0.00 C ATOM 463 CG ASN A 29 32.069 -10.194 2.751 1.00 0.00 C ATOM 464 OD1 ASN A 29 30.884 -10.327 2.501 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.721 -10.849 3.733 1.00 0.00 N ATOM 0 H ASN A 29 34.072 -7.926 -0.056 1.00 0.00 H new ATOM 0 HA ASN A 29 31.573 -9.530 0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.884 -9.823 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.320 -8.438 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.219 -11.509 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.717 -10.685 3.882 1.00 0.00 H new ATOM 472 N GLU A 30 31.000 -7.215 2.138 1.00 0.00 N ATOM 473 CA GLU A 30 30.116 -6.077 2.392 1.00 0.00 C ATOM 474 C GLU A 30 30.426 -5.481 3.770 1.00 0.00 C ATOM 475 O GLU A 30 30.983 -4.405 3.886 1.00 0.00 O ATOM 476 CB GLU A 30 28.643 -6.509 2.293 1.00 0.00 C ATOM 477 CG GLU A 30 28.187 -6.835 0.864 1.00 0.00 C ATOM 478 CD GLU A 30 26.692 -7.205 0.831 1.00 0.00 C ATOM 479 OE1 GLU A 30 25.862 -6.320 1.042 1.00 0.00 O ATOM 480 OE2 GLU A 30 26.374 -8.370 0.593 1.00 0.00 O ATOM 0 H GLU A 30 31.242 -7.768 2.960 1.00 0.00 H new ATOM 0 HA GLU A 30 30.289 -5.311 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.488 -7.385 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.013 -5.714 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.367 -5.977 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.778 -7.661 0.470 1.00 0.00 H new ATOM 487 N ASN A 31 30.030 -6.259 4.799 1.00 0.00 N ATOM 488 CA ASN A 31 30.301 -5.880 6.183 1.00 0.00 C ATOM 489 C ASN A 31 31.811 -5.824 6.455 1.00 0.00 C ATOM 490 O ASN A 31 32.242 -5.149 7.378 1.00 0.00 O ATOM 491 CB ASN A 31 29.641 -6.911 7.130 1.00 0.00 C ATOM 492 CG ASN A 31 28.535 -6.273 7.982 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.356 -6.462 7.762 1.00 0.00 O ATOM 494 ND2 ASN A 31 29.027 -5.503 8.977 1.00 0.00 N ATOM 0 H ASN A 31 29.529 -7.141 4.691 1.00 0.00 H new ATOM 0 HA ASN A 31 29.886 -4.888 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.222 -7.728 6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.399 -7.343 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 31 28.390 -5.026 9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.035 -5.399 9.090 1.00 0.00 H new ATOM 501 N LEU A 32 32.573 -6.568 5.619 1.00 0.00 N ATOM 502 CA LEU A 32 34.021 -6.638 5.810 1.00 0.00 C ATOM 503 C LEU A 32 34.668 -5.387 5.200 1.00 0.00 C ATOM 504 O LEU A 32 35.547 -4.776 5.777 1.00 0.00 O ATOM 505 CB LEU A 32 34.585 -7.886 5.095 1.00 0.00 C ATOM 506 CG LEU A 32 35.848 -8.533 5.712 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.656 -7.634 6.654 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.485 -9.842 6.412 1.00 0.00 C ATOM 0 H LEU A 32 32.214 -7.109 4.832 1.00 0.00 H new ATOM 0 HA LEU A 32 34.240 -6.697 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.800 -8.641 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.812 -7.613 4.064 1.00 0.00 H new ATOM 0 HG LEU A 32 36.509 -8.719 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.519 -8.184 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 32 36.996 -6.752 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.029 -7.326 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.383 -10.286 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.764 -9.643 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.049 -10.532 5.690 1.00 0.00 H new ATOM 520 N ALA A 33 34.157 -5.070 3.986 1.00 0.00 N ATOM 521 CA ALA A 33 34.640 -3.919 3.238 1.00 0.00 C ATOM 522 C ALA A 33 34.473 -2.619 4.023 1.00 0.00 C ATOM 523 O ALA A 33 35.406 -1.848 4.156 1.00 0.00 O ATOM 524 CB ALA A 33 33.866 -3.802 1.935 1.00 0.00 C ATOM 0 H ALA A 33 33.419 -5.598 3.521 1.00 0.00 H new ATOM 0 HA ALA A 33 35.702 -4.072 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.227 -2.940 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.010 -4.706 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.805 -3.676 2.152 1.00 0.00 H new ATOM 530 N ALA A 34 33.241 -2.443 4.549 1.00 0.00 N ATOM 531 CA ALA A 34 32.984 -1.301 5.421 1.00 0.00 C ATOM 532 C ALA A 34 33.959 -1.317 6.606 1.00 0.00 C ATOM 533 O ALA A 34 34.631 -0.329 6.876 1.00 0.00 O ATOM 534 CB ALA A 34 31.531 -1.314 5.904 1.00 0.00 C ATOM 0 H ALA A 34 32.443 -3.057 4.387 1.00 0.00 H new ATOM 0 HA ALA A 34 33.142 -0.381 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.356 -0.456 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.862 -1.262 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.340 -2.233 6.458 1.00 0.00 H new ATOM 540 N ASN A 35 34.062 -2.481 7.266 1.00 0.00 N ATOM 541 CA ASN A 35 34.980 -2.574 8.404 1.00 0.00 C ATOM 542 C ASN A 35 36.437 -2.187 8.052 1.00 0.00 C ATOM 543 O ASN A 35 37.146 -1.630 8.880 1.00 0.00 O ATOM 544 CB ASN A 35 34.953 -3.999 8.983 1.00 0.00 C ATOM 545 CG ASN A 35 34.958 -3.916 10.517 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.973 -3.735 11.154 1.00 0.00 O ATOM 547 ND2 ASN A 35 33.706 -3.921 11.023 1.00 0.00 N ATOM 0 H ASN A 35 33.546 -3.332 7.044 1.00 0.00 H new ATOM 0 HA ASN A 35 34.630 -1.853 9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.065 -4.529 8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.817 -4.564 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 35 33.558 -3.763 12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 35 32.908 -4.083 10.408 1.00 0.00 H new ATOM 554 N PHE A 36 36.830 -2.491 6.795 1.00 0.00 N ATOM 555 CA PHE A 36 38.172 -2.165 6.304 1.00 0.00 C ATOM 556 C PHE A 36 38.371 -0.633 6.287 1.00 0.00 C ATOM 557 O PHE A 36 39.319 -0.107 6.854 1.00 0.00 O ATOM 558 CB PHE A 36 38.365 -2.784 4.900 1.00 0.00 C ATOM 559 CG PHE A 36 39.741 -2.586 4.293 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.175 -1.324 3.896 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.584 -3.674 4.069 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.408 -1.138 3.290 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.823 -3.494 3.464 1.00 0.00 C ATOM 564 CZ PHE A 36 42.237 -2.228 3.072 1.00 0.00 C ATOM 0 H PHE A 36 36.235 -2.959 6.111 1.00 0.00 H new ATOM 0 HA PHE A 36 38.926 -2.585 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.162 -3.853 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.623 -2.356 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.536 -0.470 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.272 -4.664 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.721 -0.149 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.468 -4.345 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.199 -2.093 2.600 1.00 0.00 H new ATOM 574 N LEU A 37 37.430 0.032 5.574 1.00 0.00 N ATOM 575 CA LEU A 37 37.576 1.448 5.265 1.00 0.00 C ATOM 576 C LEU A 37 37.404 2.336 6.519 1.00 0.00 C ATOM 577 O LEU A 37 37.983 3.411 6.614 1.00 0.00 O ATOM 578 CB LEU A 37 36.546 1.867 4.211 1.00 0.00 C ATOM 579 CG LEU A 37 36.670 1.197 2.825 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.393 0.442 2.454 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.017 2.199 1.708 1.00 0.00 C ATOM 0 H LEU A 37 36.577 -0.396 5.213 1.00 0.00 H new ATOM 0 HA LEU A 37 38.586 1.590 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.551 1.658 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.615 2.946 4.076 1.00 0.00 H new ATOM 0 HG LEU A 37 37.496 0.490 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.514 -0.018 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.200 -0.332 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.554 1.137 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.091 1.672 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.236 2.956 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.970 2.679 1.933 1.00 0.00 H new ATOM 593 N LEU A 38 36.570 1.813 7.453 1.00 0.00 N ATOM 594 CA LEU A 38 36.211 2.549 8.663 1.00 0.00 C ATOM 595 C LEU A 38 37.315 2.378 9.735 1.00 0.00 C ATOM 596 O LEU A 38 37.521 3.235 10.582 1.00 0.00 O ATOM 597 CB LEU A 38 34.833 2.126 9.237 1.00 0.00 C ATOM 598 CG LEU A 38 33.601 2.051 8.290 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.382 2.809 8.832 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.873 2.527 6.865 1.00 0.00 C ATOM 0 H LEU A 38 36.143 0.890 7.380 1.00 0.00 H new ATOM 0 HA LEU A 38 36.127 3.600 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.956 1.143 9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.586 2.820 10.040 1.00 0.00 H new ATOM 0 HG LEU A 38 33.382 0.984 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.555 2.720 8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.088 2.386 9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.636 3.861 8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.962 2.441 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.196 3.568 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.655 1.912 6.419 1.00 0.00 H new ATOM 612 N SER A 39 38.013 1.222 9.612 1.00 0.00 N ATOM 613 CA SER A 39 39.135 0.889 10.484 1.00 0.00 C ATOM 614 C SER A 39 40.380 1.726 10.136 1.00 0.00 C ATOM 615 O SER A 39 41.256 1.908 10.970 1.00 0.00 O ATOM 616 CB SER A 39 39.456 -0.615 10.377 1.00 0.00 C ATOM 617 OG SER A 39 40.519 -1.057 11.201 1.00 0.00 O ATOM 0 H SER A 39 37.807 0.511 8.910 1.00 0.00 H new ATOM 0 HA SER A 39 38.850 1.123 11.510 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.560 -1.182 10.629 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.699 -0.847 9.340 1.00 0.00 H new ATOM 0 HG SER A 39 40.654 -2.019 11.073 1.00 0.00 H new ATOM 623 N GLN A 40 40.396 2.233 8.880 1.00 0.00 N ATOM 624 CA GLN A 40 41.479 3.118 8.451 1.00 0.00 C ATOM 625 C GLN A 40 41.266 4.514 9.073 1.00 0.00 C ATOM 626 O GLN A 40 40.437 5.300 8.631 1.00 0.00 O ATOM 627 CB GLN A 40 41.557 3.186 6.910 1.00 0.00 C ATOM 628 CG GLN A 40 41.769 1.809 6.233 1.00 0.00 C ATOM 629 CD GLN A 40 42.953 1.769 5.238 1.00 0.00 C ATOM 630 OE1 GLN A 40 43.084 2.593 4.351 1.00 0.00 O ATOM 631 NE2 GLN A 40 43.777 0.719 5.437 1.00 0.00 N ATOM 0 H GLN A 40 39.687 2.045 8.171 1.00 0.00 H new ATOM 0 HA GLN A 40 42.433 2.722 8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.638 3.630 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.374 3.850 6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.932 1.058 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.856 1.531 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 40 43.600 0.070 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 40 44.576 0.574 4.820 1.00 0.00 H new ATOM 640 N ASN A 41 42.088 4.747 10.124 1.00 0.00 N ATOM 641 CA ASN A 41 42.100 6.012 10.862 1.00 0.00 C ATOM 642 C ASN A 41 42.349 7.194 9.906 1.00 0.00 C ATOM 643 O ASN A 41 43.212 7.134 9.034 1.00 0.00 O ATOM 644 CB ASN A 41 43.222 6.016 11.915 1.00 0.00 C ATOM 645 CG ASN A 41 43.381 4.697 12.688 1.00 0.00 C ATOM 646 OD1 ASN A 41 42.433 4.035 13.067 1.00 0.00 O ATOM 647 ND2 ASN A 41 44.683 4.382 12.878 1.00 0.00 N ATOM 0 H ASN A 41 42.755 4.060 10.475 1.00 0.00 H new ATOM 0 HA ASN A 41 41.129 6.115 11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 41 44.165 6.248 11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 41 43.030 6.818 12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 41 44.934 3.527 13.375 1.00 0.00 H new ATOM 0 HD22 ASN A 41 45.414 4.999 12.524 1.00 0.00 H new ATOM 654 N PHE A 42 41.523 8.242 10.122 1.00 0.00 N ATOM 655 CA PHE A 42 41.483 9.402 9.237 1.00 0.00 C ATOM 656 C PHE A 42 40.475 10.424 9.818 1.00 0.00 C ATOM 657 O PHE A 42 39.313 10.116 10.040 1.00 0.00 O ATOM 658 CB PHE A 42 41.100 8.953 7.804 1.00 0.00 C ATOM 659 CG PHE A 42 40.949 10.091 6.829 1.00 0.00 C ATOM 660 CD1 PHE A 42 42.054 10.643 6.185 1.00 0.00 C ATOM 661 CD2 PHE A 42 39.687 10.602 6.561 1.00 0.00 C ATOM 662 CE1 PHE A 42 41.897 11.703 5.299 1.00 0.00 C ATOM 663 CE2 PHE A 42 39.524 11.659 5.678 1.00 0.00 C ATOM 664 CZ PHE A 42 40.629 12.213 5.051 1.00 0.00 C ATOM 0 H PHE A 42 40.876 8.297 10.909 1.00 0.00 H new ATOM 0 HA PHE A 42 42.461 9.879 9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 42 41.862 8.268 7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 42 40.164 8.396 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 42 43.040 10.245 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 42 38.823 10.172 7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 42 42.758 12.128 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 42 38.537 12.050 5.479 1.00 0.00 H new ATOM 0 HZ PHE A 42 40.504 13.041 4.369 1.00 0.00 H new ATOM 674 N ASP A 43 41.002 11.651 10.036 1.00 0.00 N ATOM 675 CA ASP A 43 40.214 12.776 10.548 1.00 0.00 C ATOM 676 C ASP A 43 39.191 13.209 9.485 1.00 0.00 C ATOM 677 O ASP A 43 39.418 13.005 8.295 1.00 0.00 O ATOM 678 CB ASP A 43 41.136 13.976 10.853 1.00 0.00 C ATOM 679 CG ASP A 43 42.459 13.581 11.543 1.00 0.00 C ATOM 680 OD1 ASP A 43 42.433 13.261 12.730 1.00 0.00 O ATOM 681 OD2 ASP A 43 43.502 13.606 10.887 1.00 0.00 O ATOM 0 H ASP A 43 41.980 11.880 9.860 1.00 0.00 H new ATOM 0 HA ASP A 43 39.706 12.461 11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 43 41.363 14.495 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 43 40.601 14.682 11.489 1.00 0.00 H new ATOM 686 N ASP A 44 38.072 13.802 9.950 1.00 0.00 N ATOM 687 CA ASP A 44 36.996 14.181 9.030 1.00 0.00 C ATOM 688 C ASP A 44 36.515 15.611 9.321 1.00 0.00 C ATOM 689 O ASP A 44 36.396 16.427 8.423 1.00 0.00 O ATOM 690 CB ASP A 44 35.829 13.188 9.122 1.00 0.00 C ATOM 691 CG ASP A 44 36.275 11.764 8.739 1.00 0.00 C ATOM 692 OD1 ASP A 44 36.513 11.523 7.556 1.00 0.00 O ATOM 693 OD2 ASP A 44 36.377 10.915 9.624 1.00 0.00 O ATOM 0 H ASP A 44 37.898 14.021 10.931 1.00 0.00 H new ATOM 0 HA ASP A 44 37.389 14.152 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.429 13.186 10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 44 35.023 13.509 8.462 1.00 0.00 H new ATOM 698 N GLU A 45 36.254 15.850 10.625 1.00 0.00 N ATOM 699 CA GLU A 45 35.720 17.136 11.078 1.00 0.00 C ATOM 700 C GLU A 45 36.652 18.325 10.727 1.00 0.00 C ATOM 701 O GLU A 45 36.308 19.110 9.839 1.00 0.00 O ATOM 702 CB GLU A 45 35.447 17.037 12.587 1.00 0.00 C ATOM 703 CG GLU A 45 34.754 18.286 13.162 1.00 0.00 C ATOM 704 CD GLU A 45 33.681 17.923 14.207 1.00 0.00 C ATOM 705 OE1 GLU A 45 34.038 17.403 15.264 1.00 0.00 O ATOM 706 OE2 GLU A 45 32.501 18.164 13.952 1.00 0.00 O ATOM 707 OXT GLU A 45 37.705 18.455 11.349 1.00 0.00 O ATOM 0 H GLU A 45 36.406 15.170 11.370 1.00 0.00 H new ATOM 0 HA GLU A 45 34.789 17.344 10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.825 16.163 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 45 36.390 16.879 13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.500 18.936 13.619 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.294 18.851 12.351 1.00 0.00 H new TER 714 GLU A 45