USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 444 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 VAL N :NH3+ -177:sc= -0.642 (180deg=-0.66) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.494 K(o=-0.49,f=-1.6) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -2.46! (180deg=-2.81!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.5!) USER MOD Single : A 30 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -54:sc= 1.24 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 47 THR OG1 : rot 106:sc= 1.03 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.000633 X(o=-0.00063,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -14.653 8.470 2.693 1.00 0.00 N ATOM 2 CA VAL A 1 -13.599 8.127 3.634 1.00 0.00 C ATOM 3 C VAL A 1 -12.240 8.454 3.012 1.00 0.00 C ATOM 4 O VAL A 1 -12.012 8.186 1.833 1.00 0.00 O ATOM 5 CB VAL A 1 -13.729 6.660 4.051 1.00 0.00 C ATOM 6 CG1 VAL A 1 -14.168 6.543 5.512 1.00 0.00 C ATOM 7 CG2 VAL A 1 -14.689 5.910 3.127 1.00 0.00 C ATOM 0 H1 VAL A 1 -15.580 8.297 3.132 1.00 0.00 H new ATOM 0 H2 VAL A 1 -14.574 9.474 2.435 1.00 0.00 H new ATOM 0 H3 VAL A 1 -14.560 7.885 1.839 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.690 8.720 4.544 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.747 6.197 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.253 5.491 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.430 7.025 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -15.134 7.030 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.763 4.870 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -15.674 6.374 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -14.315 5.950 2.104 1.00 0.00 H new ATOM 17 N THR A 2 -11.373 9.029 3.832 1.00 0.00 N ATOM 18 CA THR A 2 -10.042 9.396 3.377 1.00 0.00 C ATOM 19 C THR A 2 -9.146 8.159 3.298 1.00 0.00 C ATOM 20 O THR A 2 -8.189 8.032 4.061 1.00 0.00 O ATOM 21 CB THR A 2 -9.504 10.478 4.315 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.848 10.012 5.617 1.00 0.00 O ATOM 23 CG2 THR A 2 -10.261 11.800 4.179 1.00 0.00 C ATOM 0 H THR A 2 -11.566 9.250 4.809 1.00 0.00 H new ATOM 0 HA THR A 2 -10.067 9.805 2.367 1.00 0.00 H new ATOM 0 HB THR A 2 -8.446 10.643 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.534 10.654 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.839 12.533 4.867 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.171 12.167 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.313 11.643 4.417 1.00 0.00 H new ATOM 31 N LEU A 3 -9.488 7.278 2.369 1.00 0.00 N ATOM 32 CA LEU A 3 -8.726 6.055 2.181 1.00 0.00 C ATOM 33 C LEU A 3 -7.813 6.212 0.962 1.00 0.00 C ATOM 34 O LEU A 3 -8.082 7.026 0.081 1.00 0.00 O ATOM 35 CB LEU A 3 -9.661 4.848 2.097 1.00 0.00 C ATOM 36 CG LEU A 3 -9.773 3.998 3.364 1.00 0.00 C ATOM 37 CD1 LEU A 3 -10.549 4.738 4.456 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.384 2.629 3.054 1.00 0.00 C ATOM 0 H LEU A 3 -10.282 7.387 1.739 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.083 5.870 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.657 5.203 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.323 4.208 1.282 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.768 3.823 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.613 4.111 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.034 5.666 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.553 4.965 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.452 2.045 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.381 2.762 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.754 2.104 2.336 1.00 0.00 H new ATOM 50 N PHE A 4 -6.753 5.417 0.952 1.00 0.00 N ATOM 51 CA PHE A 4 -5.798 5.456 -0.144 1.00 0.00 C ATOM 52 C PHE A 4 -5.903 4.197 -1.007 1.00 0.00 C ATOM 53 O PHE A 4 -6.324 3.145 -0.527 1.00 0.00 O ATOM 54 CB PHE A 4 -4.404 5.518 0.480 1.00 0.00 C ATOM 55 CG PHE A 4 -4.047 6.882 1.073 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.117 7.999 0.300 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.660 6.979 2.373 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.787 9.266 0.851 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.330 8.246 2.924 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.400 9.362 2.150 1.00 0.00 C ATOM 0 H PHE A 4 -6.534 4.742 1.685 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.997 6.318 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.334 4.763 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.666 5.259 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.424 7.923 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.604 6.092 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.844 10.153 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.024 8.323 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.148 10.325 2.568 1.00 0.00 H new ATOM 70 N VAL A 5 -5.513 4.345 -2.265 1.00 0.00 N ATOM 71 CA VAL A 5 -5.557 3.233 -3.198 1.00 0.00 C ATOM 72 C VAL A 5 -4.236 3.166 -3.967 1.00 0.00 C ATOM 73 O VAL A 5 -3.564 4.181 -4.145 1.00 0.00 O ATOM 74 CB VAL A 5 -6.776 3.367 -4.115 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.039 2.849 -3.424 1.00 0.00 C ATOM 76 CG2 VAL A 5 -6.958 4.814 -4.577 1.00 0.00 C ATOM 0 H VAL A 5 -5.165 5.219 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.671 2.290 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.601 2.753 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.891 2.955 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.908 1.798 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.219 3.425 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.830 4.881 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.101 5.458 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.072 5.135 -5.125 1.00 0.00 H new ATOM 86 N ALA A 6 -3.903 1.960 -4.401 1.00 0.00 N ATOM 87 CA ALA A 6 -2.674 1.746 -5.147 1.00 0.00 C ATOM 88 C ALA A 6 -2.869 2.216 -6.590 1.00 0.00 C ATOM 89 O ALA A 6 -3.965 2.626 -6.969 1.00 0.00 O ATOM 90 CB ALA A 6 -2.274 0.272 -5.062 1.00 0.00 C ATOM 0 H ALA A 6 -4.462 1.120 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.859 2.329 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.352 0.112 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.117 -0.003 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.067 -0.345 -5.485 1.00 0.00 H new ATOM 96 N LEU A 7 -1.790 2.140 -7.355 1.00 0.00 N ATOM 97 CA LEU A 7 -1.830 2.551 -8.748 1.00 0.00 C ATOM 98 C LEU A 7 -1.985 1.315 -9.636 1.00 0.00 C ATOM 99 O LEU A 7 -2.917 1.234 -10.435 1.00 0.00 O ATOM 100 CB LEU A 7 -0.606 3.403 -9.089 1.00 0.00 C ATOM 101 CG LEU A 7 -0.815 4.480 -10.156 1.00 0.00 C ATOM 102 CD1 LEU A 7 -1.607 5.663 -9.594 1.00 0.00 C ATOM 103 CD2 LEU A 7 0.520 4.921 -10.760 1.00 0.00 C ATOM 0 H LEU A 7 -0.883 1.800 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.695 3.187 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.259 3.887 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.192 2.740 -9.422 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.407 4.049 -10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.741 6.414 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.582 5.318 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.062 6.101 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.342 5.687 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.158 5.327 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.012 4.064 -11.221 1.00 0.00 H new ATOM 115 N TYR A 8 -1.059 0.384 -9.467 1.00 0.00 N ATOM 116 CA TYR A 8 -1.081 -0.844 -10.244 1.00 0.00 C ATOM 117 C TYR A 8 -0.397 -1.985 -9.487 1.00 0.00 C ATOM 118 O TYR A 8 0.221 -1.762 -8.448 1.00 0.00 O ATOM 119 CB TYR A 8 -0.292 -0.550 -11.521 1.00 0.00 C ATOM 120 CG TYR A 8 -1.167 -0.191 -12.725 1.00 0.00 C ATOM 121 CD1 TYR A 8 -1.871 -1.178 -13.384 1.00 0.00 C ATOM 122 CD2 TYR A 8 -1.252 1.119 -13.149 1.00 0.00 C ATOM 123 CE1 TYR A 8 -2.694 -0.841 -14.517 1.00 0.00 C ATOM 124 CE2 TYR A 8 -2.075 1.456 -14.282 1.00 0.00 C ATOM 125 CZ TYR A 8 -2.756 0.460 -14.909 1.00 0.00 C ATOM 126 OH TYR A 8 -3.533 0.779 -15.979 1.00 0.00 O ATOM 0 H TYR A 8 -0.288 0.455 -8.803 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.107 -1.150 -10.448 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.398 0.272 -11.328 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.312 -1.422 -11.771 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.805 -2.203 -13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.702 1.891 -12.632 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.249 -1.604 -15.043 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.150 2.477 -14.626 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.482 1.744 -16.144 1.00 0.00 H new ATOM 136 N ASP A 9 -0.532 -3.182 -10.039 1.00 0.00 N ATOM 137 CA ASP A 9 0.066 -4.357 -9.428 1.00 0.00 C ATOM 138 C ASP A 9 1.460 -4.579 -10.018 1.00 0.00 C ATOM 139 O ASP A 9 1.712 -4.235 -11.171 1.00 0.00 O ATOM 140 CB ASP A 9 -0.770 -5.608 -9.707 1.00 0.00 C ATOM 141 CG ASP A 9 -1.457 -5.634 -11.074 1.00 0.00 C ATOM 142 OD1 ASP A 9 -1.053 -6.380 -11.978 1.00 0.00 O ATOM 143 OD2 ASP A 9 -2.464 -4.837 -11.194 1.00 0.00 O ATOM 0 H ASP A 9 -1.046 -3.363 -10.901 1.00 0.00 H new ATOM 0 HA ASP A 9 0.117 -4.189 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.126 -6.483 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.532 -5.698 -8.932 1.00 0.00 H new ATOM 149 N TYR A 10 2.329 -5.155 -9.200 1.00 0.00 N ATOM 150 CA TYR A 10 3.691 -5.428 -9.626 1.00 0.00 C ATOM 151 C TYR A 10 4.077 -6.880 -9.335 1.00 0.00 C ATOM 152 O TYR A 10 3.399 -7.565 -8.571 1.00 0.00 O ATOM 153 CB TYR A 10 4.585 -4.501 -8.800 1.00 0.00 C ATOM 154 CG TYR A 10 5.601 -3.713 -9.630 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.654 -4.369 -10.234 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.463 -2.348 -9.775 1.00 0.00 C ATOM 157 CE1 TYR A 10 7.611 -3.628 -11.015 1.00 0.00 C ATOM 158 CE2 TYR A 10 6.420 -1.607 -10.556 1.00 0.00 C ATOM 159 CZ TYR A 10 7.446 -2.284 -11.138 1.00 0.00 C ATOM 160 OH TYR A 10 8.349 -1.584 -11.876 1.00 0.00 O ATOM 0 H TYR A 10 2.116 -5.440 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 10 3.797 -5.266 -10.699 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.956 -3.799 -8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.120 -5.095 -8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.761 -5.438 -10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.638 -1.835 -9.303 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.441 -4.129 -11.492 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.325 -0.538 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 10 8.105 -0.635 -11.877 1.00 0.00 H new ATOM 170 N GLU A 11 5.163 -7.306 -9.962 1.00 0.00 N ATOM 171 CA GLU A 11 5.647 -8.665 -9.781 1.00 0.00 C ATOM 172 C GLU A 11 6.931 -8.664 -8.949 1.00 0.00 C ATOM 173 O GLU A 11 7.897 -7.984 -9.293 1.00 0.00 O ATOM 174 CB GLU A 11 5.866 -9.353 -11.128 1.00 0.00 C ATOM 175 CG GLU A 11 4.535 -9.610 -11.837 1.00 0.00 C ATOM 176 CD GLU A 11 4.513 -11.000 -12.476 1.00 0.00 C ATOM 177 OE1 GLU A 11 3.621 -11.807 -12.172 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.463 -11.229 -13.317 1.00 0.00 O ATOM 0 H GLU A 11 5.722 -6.735 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 11 4.888 -9.232 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.503 -8.732 -11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.390 -10.297 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.716 -9.521 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.375 -8.851 -12.603 1.00 0.00 H new ATOM 186 N ALA A 12 6.900 -9.434 -7.871 1.00 0.00 N ATOM 187 CA ALA A 12 8.050 -9.530 -6.988 1.00 0.00 C ATOM 188 C ALA A 12 8.032 -10.887 -6.280 1.00 0.00 C ATOM 189 O ALA A 12 6.979 -11.511 -6.153 1.00 0.00 O ATOM 190 CB ALA A 12 8.039 -8.359 -6.004 1.00 0.00 C ATOM 0 H ALA A 12 6.097 -9.997 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 12 8.977 -9.467 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.902 -8.432 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.083 -7.420 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.124 -8.390 -5.412 1.00 0.00 H new ATOM 196 N ARG A 13 9.208 -11.304 -5.837 1.00 0.00 N ATOM 197 CA ARG A 13 9.341 -12.575 -5.146 1.00 0.00 C ATOM 198 C ARG A 13 10.297 -12.437 -3.959 1.00 0.00 C ATOM 199 O ARG A 13 11.238 -13.217 -3.821 1.00 0.00 O ATOM 200 CB ARG A 13 9.862 -13.663 -6.087 1.00 0.00 C ATOM 201 CG ARG A 13 8.979 -14.912 -6.024 1.00 0.00 C ATOM 202 CD ARG A 13 9.200 -15.802 -7.249 1.00 0.00 C ATOM 203 NE ARG A 13 8.600 -17.135 -7.020 1.00 0.00 N ATOM 204 CZ ARG A 13 9.312 -18.248 -6.740 1.00 0.00 C ATOM 205 NH1 ARG A 13 10.659 -18.196 -6.653 1.00 0.00 N ATOM 206 NH2 ARG A 13 8.672 -19.388 -6.554 1.00 0.00 N ATOM 0 H ARG A 13 10.079 -10.784 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 13 8.352 -12.862 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.889 -13.283 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.886 -13.923 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.202 -15.474 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.931 -14.618 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.754 -15.340 -8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.267 -15.903 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 13 7.585 -17.219 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.146 -17.312 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.189 -19.041 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.655 -19.419 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.195 -20.238 -6.342 1.00 0.00 H new ATOM 219 N THR A 14 10.021 -11.439 -3.133 1.00 0.00 N ATOM 220 CA THR A 14 10.845 -11.189 -1.961 1.00 0.00 C ATOM 221 C THR A 14 9.968 -10.995 -0.723 1.00 0.00 C ATOM 222 O THR A 14 8.743 -11.088 -0.805 1.00 0.00 O ATOM 223 CB THR A 14 11.743 -9.986 -2.263 1.00 0.00 C ATOM 224 OG1 THR A 14 10.841 -8.992 -2.743 1.00 0.00 O ATOM 225 CG2 THR A 14 12.682 -10.239 -3.444 1.00 0.00 C ATOM 0 H THR A 14 9.240 -10.794 -3.251 1.00 0.00 H new ATOM 0 HA THR A 14 11.484 -12.044 -1.738 1.00 0.00 H new ATOM 0 HB THR A 14 12.331 -9.740 -1.379 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.339 -8.177 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.296 -9.355 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.325 -11.090 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.094 -10.452 -4.337 1.00 0.00 H new ATOM 233 N GLU A 15 10.627 -10.731 0.395 1.00 0.00 N ATOM 234 CA GLU A 15 9.922 -10.524 1.649 1.00 0.00 C ATOM 235 C GLU A 15 9.705 -9.030 1.895 1.00 0.00 C ATOM 236 O GLU A 15 8.864 -8.648 2.708 1.00 0.00 O ATOM 237 CB GLU A 15 10.675 -11.169 2.814 1.00 0.00 C ATOM 238 CG GLU A 15 9.741 -12.041 3.656 1.00 0.00 C ATOM 239 CD GLU A 15 10.133 -13.517 3.559 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.327 -13.835 3.460 1.00 0.00 O ATOM 241 OE2 GLU A 15 9.145 -14.346 3.592 1.00 0.00 O ATOM 0 H GLU A 15 11.642 -10.656 0.459 1.00 0.00 H new ATOM 0 HA GLU A 15 8.947 -11.006 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.496 -11.775 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.117 -10.394 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.777 -11.719 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.713 -11.911 3.318 1.00 0.00 H new ATOM 249 N ASP A 16 10.478 -8.227 1.180 1.00 0.00 N ATOM 250 CA ASP A 16 10.380 -6.783 1.312 1.00 0.00 C ATOM 251 C ASP A 16 9.464 -6.236 0.215 1.00 0.00 C ATOM 252 O ASP A 16 9.457 -5.035 -0.051 1.00 0.00 O ATOM 253 CB ASP A 16 11.752 -6.122 1.154 1.00 0.00 C ATOM 254 CG ASP A 16 12.197 -5.264 2.340 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.837 -5.757 3.280 1.00 0.00 O ATOM 256 OD2 ASP A 16 11.854 -4.022 2.273 1.00 0.00 O ATOM 0 H ASP A 16 11.175 -8.548 0.508 1.00 0.00 H new ATOM 0 HA ASP A 16 9.983 -6.561 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.497 -6.901 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.738 -5.499 0.260 1.00 0.00 H new ATOM 262 N ASP A 17 8.711 -7.143 -0.389 1.00 0.00 N ATOM 263 CA ASP A 17 7.792 -6.767 -1.450 1.00 0.00 C ATOM 264 C ASP A 17 6.884 -7.954 -1.778 1.00 0.00 C ATOM 265 O ASP A 17 7.367 -9.028 -2.136 1.00 0.00 O ATOM 266 CB ASP A 17 8.548 -6.383 -2.723 1.00 0.00 C ATOM 267 CG ASP A 17 8.007 -5.150 -3.449 1.00 0.00 C ATOM 268 OD1 ASP A 17 7.034 -4.523 -3.005 1.00 0.00 O ATOM 269 OD2 ASP A 17 8.638 -4.833 -4.530 1.00 0.00 O ATOM 0 H ASP A 17 8.718 -8.138 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 17 7.210 -5.912 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.593 -6.206 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.526 -7.229 -3.410 1.00 0.00 H new ATOM 275 N LEU A 18 5.588 -7.722 -1.645 1.00 0.00 N ATOM 276 CA LEU A 18 4.608 -8.759 -1.923 1.00 0.00 C ATOM 277 C LEU A 18 3.812 -8.380 -3.173 1.00 0.00 C ATOM 278 O LEU A 18 4.096 -7.369 -3.811 1.00 0.00 O ATOM 279 CB LEU A 18 3.736 -9.016 -0.692 1.00 0.00 C ATOM 280 CG LEU A 18 4.396 -9.797 0.446 1.00 0.00 C ATOM 281 CD1 LEU A 18 3.565 -9.707 1.728 1.00 0.00 C ATOM 282 CD2 LEU A 18 4.658 -11.248 0.035 1.00 0.00 C ATOM 0 H LEU A 18 5.192 -6.830 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 18 5.105 -9.706 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.402 -8.055 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.845 -9.558 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 18 5.363 -9.341 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.057 -10.271 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.472 -8.663 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.573 -10.123 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.128 -11.781 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.714 -11.730 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.319 -11.267 -0.831 1.00 0.00 H new ATOM 294 N SER A 19 2.830 -9.214 -3.485 1.00 0.00 N ATOM 295 CA SER A 19 1.990 -8.980 -4.647 1.00 0.00 C ATOM 296 C SER A 19 0.761 -8.160 -4.248 1.00 0.00 C ATOM 297 O SER A 19 0.052 -8.516 -3.309 1.00 0.00 O ATOM 298 CB SER A 19 1.562 -10.299 -5.292 1.00 0.00 C ATOM 299 OG SER A 19 2.528 -11.328 -5.096 1.00 0.00 O ATOM 0 H SER A 19 2.598 -10.053 -2.953 1.00 0.00 H new ATOM 0 HA SER A 19 2.570 -8.420 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.607 -10.614 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.407 -10.147 -6.360 1.00 0.00 H new ATOM 0 HG SER A 19 2.217 -12.154 -5.521 1.00 0.00 H new ATOM 305 N PHE A 20 0.547 -7.078 -4.982 1.00 0.00 N ATOM 306 CA PHE A 20 -0.584 -6.206 -4.717 1.00 0.00 C ATOM 307 C PHE A 20 -1.533 -6.156 -5.917 1.00 0.00 C ATOM 308 O PHE A 20 -1.307 -6.834 -6.918 1.00 0.00 O ATOM 309 CB PHE A 20 -0.020 -4.805 -4.470 1.00 0.00 C ATOM 310 CG PHE A 20 0.174 -4.464 -2.991 1.00 0.00 C ATOM 311 CD1 PHE A 20 -0.887 -4.060 -2.242 1.00 0.00 C ATOM 312 CD2 PHE A 20 1.407 -4.563 -2.426 1.00 0.00 C ATOM 313 CE1 PHE A 20 -0.707 -3.744 -0.869 1.00 0.00 C ATOM 314 CE2 PHE A 20 1.587 -4.247 -1.054 1.00 0.00 C ATOM 315 CZ PHE A 20 0.526 -3.844 -0.304 1.00 0.00 C ATOM 0 H PHE A 20 1.138 -6.786 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.146 -6.577 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.938 -4.715 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.690 -4.071 -4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.866 -3.980 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.250 -4.882 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.549 -3.424 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.566 -4.326 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.663 -3.604 0.740 1.00 0.00 H new ATOM 325 N HIS A 21 -2.572 -5.348 -5.775 1.00 0.00 N ATOM 326 CA HIS A 21 -3.556 -5.202 -6.836 1.00 0.00 C ATOM 327 C HIS A 21 -4.209 -3.821 -6.742 1.00 0.00 C ATOM 328 O HIS A 21 -4.336 -3.262 -5.654 1.00 0.00 O ATOM 329 CB HIS A 21 -4.574 -6.343 -6.794 1.00 0.00 C ATOM 330 CG HIS A 21 -4.317 -7.432 -7.808 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.391 -8.440 -7.607 1.00 0.00 N ATOM 332 CD2 HIS A 21 -4.876 -7.661 -9.030 1.00 0.00 C ATOM 333 CE1 HIS A 21 -3.399 -9.233 -8.668 1.00 0.00 C ATOM 334 NE2 HIS A 21 -4.320 -8.748 -9.550 1.00 0.00 N ATOM 0 H HIS A 21 -2.755 -4.787 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 21 -3.063 -5.268 -7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.572 -6.782 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -5.570 -5.934 -6.960 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -2.802 -8.553 -6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.642 -7.059 -9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.784 -10.110 -8.810 1.00 0.00 H new ATOM 342 N LYS A 22 -4.606 -3.310 -7.899 1.00 0.00 N ATOM 343 CA LYS A 22 -5.243 -2.006 -7.962 1.00 0.00 C ATOM 344 C LYS A 22 -6.739 -2.159 -7.681 1.00 0.00 C ATOM 345 O LYS A 22 -7.331 -3.190 -7.998 1.00 0.00 O ATOM 346 CB LYS A 22 -4.935 -1.324 -9.296 1.00 0.00 C ATOM 347 CG LYS A 22 -5.145 -2.286 -10.466 1.00 0.00 C ATOM 348 CD LYS A 22 -5.234 -1.529 -11.792 1.00 0.00 C ATOM 349 CE LYS A 22 -6.686 -1.186 -12.131 1.00 0.00 C ATOM 350 NZ LYS A 22 -7.554 -1.379 -10.948 1.00 0.00 N ATOM 0 H LYS A 22 -4.499 -3.776 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.840 -1.348 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.576 -0.451 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.906 -0.965 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.322 -3.000 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.058 -2.860 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.645 -0.614 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.804 -2.134 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.752 -0.153 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.033 -1.816 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.497 -0.985 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.639 -2.395 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.137 -0.893 -10.128 1.00 0.00 H new ATOM 363 N GLY A 23 -7.306 -1.119 -7.089 1.00 0.00 N ATOM 364 CA GLY A 23 -8.722 -1.125 -6.761 1.00 0.00 C ATOM 365 C GLY A 23 -8.954 -1.652 -5.343 1.00 0.00 C ATOM 366 O GLY A 23 -10.089 -1.924 -4.956 1.00 0.00 O ATOM 0 H GLY A 23 -6.811 -0.266 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.123 -0.115 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.262 -1.745 -7.476 1.00 0.00 H new ATOM 370 N GLU A 24 -7.860 -1.778 -4.606 1.00 0.00 N ATOM 371 CA GLU A 24 -7.930 -2.267 -3.240 1.00 0.00 C ATOM 372 C GLU A 24 -7.914 -1.095 -2.256 1.00 0.00 C ATOM 373 O GLU A 24 -7.519 0.014 -2.612 1.00 0.00 O ATOM 374 CB GLU A 24 -6.789 -3.244 -2.947 1.00 0.00 C ATOM 375 CG GLU A 24 -7.328 -4.571 -2.411 1.00 0.00 C ATOM 376 CD GLU A 24 -6.424 -5.736 -2.820 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.555 -5.570 -3.687 1.00 0.00 O ATOM 378 OE2 GLU A 24 -6.649 -6.845 -2.200 1.00 0.00 O ATOM 0 H GLU A 24 -6.920 -1.550 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.868 -2.808 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.215 -3.421 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.107 -2.804 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.400 -4.526 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.336 -4.738 -2.790 1.00 0.00 H new ATOM 386 N LYS A 25 -8.349 -1.382 -1.038 1.00 0.00 N ATOM 387 CA LYS A 25 -8.390 -0.366 0.000 1.00 0.00 C ATOM 388 C LYS A 25 -7.059 -0.358 0.754 1.00 0.00 C ATOM 389 O LYS A 25 -6.196 -1.199 0.504 1.00 0.00 O ATOM 390 CB LYS A 25 -9.607 -0.572 0.905 1.00 0.00 C ATOM 391 CG LYS A 25 -10.842 0.122 0.328 1.00 0.00 C ATOM 392 CD LYS A 25 -11.362 -0.619 -0.906 1.00 0.00 C ATOM 393 CE LYS A 25 -12.889 -0.711 -0.889 1.00 0.00 C ATOM 394 NZ LYS A 25 -13.323 -2.126 -0.933 1.00 0.00 N ATOM 0 H LYS A 25 -8.676 -2.303 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.513 0.623 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.804 -1.638 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.396 -0.179 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.625 0.168 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.595 1.150 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.036 -0.103 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.934 -1.621 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.278 -0.233 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.301 -0.171 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.362 -2.171 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.967 -2.571 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.945 -2.631 -0.106 1.00 0.00 H new ATOM 407 N PHE A 26 -6.933 0.601 1.659 1.00 0.00 N ATOM 408 CA PHE A 26 -5.721 0.729 2.450 1.00 0.00 C ATOM 409 C PHE A 26 -5.946 1.645 3.655 1.00 0.00 C ATOM 410 O PHE A 26 -6.207 2.836 3.492 1.00 0.00 O ATOM 411 CB PHE A 26 -4.657 1.351 1.542 1.00 0.00 C ATOM 412 CG PHE A 26 -3.224 0.958 1.902 1.00 0.00 C ATOM 413 CD1 PHE A 26 -2.828 -0.339 1.800 1.00 0.00 C ATOM 414 CD2 PHE A 26 -2.345 1.905 2.327 1.00 0.00 C ATOM 415 CE1 PHE A 26 -1.498 -0.705 2.133 1.00 0.00 C ATOM 416 CE2 PHE A 26 -1.014 1.540 2.661 1.00 0.00 C ATOM 417 CZ PHE A 26 -0.618 0.244 2.557 1.00 0.00 C ATOM 0 H PHE A 26 -7.650 1.297 1.862 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.416 -0.249 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.856 1.056 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.747 2.436 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.527 -1.091 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.659 2.935 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.184 -1.735 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.316 2.292 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.395 -0.033 2.811 1.00 0.00 H new ATOM 427 N GLN A 27 -5.836 1.055 4.836 1.00 0.00 N ATOM 428 CA GLN A 27 -6.026 1.803 6.066 1.00 0.00 C ATOM 429 C GLN A 27 -4.760 2.593 6.406 1.00 0.00 C ATOM 430 O GLN A 27 -3.660 2.212 6.010 1.00 0.00 O ATOM 431 CB GLN A 27 -6.418 0.875 7.218 1.00 0.00 C ATOM 432 CG GLN A 27 -7.674 0.073 6.872 1.00 0.00 C ATOM 433 CD GLN A 27 -8.866 0.530 7.715 1.00 0.00 C ATOM 434 OE1 GLN A 27 -8.724 1.016 8.825 1.00 0.00 O ATOM 435 NE2 GLN A 27 -10.045 0.346 7.129 1.00 0.00 N ATOM 0 H GLN A 27 -5.618 0.067 4.967 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.844 2.508 5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.596 0.194 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.594 1.462 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.906 0.192 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.490 -0.988 7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.093 -0.067 6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.902 0.617 7.611 1.00 0.00 H new ATOM 444 N ILE A 28 -4.959 3.680 7.137 1.00 0.00 N ATOM 445 CA ILE A 28 -3.847 4.527 7.536 1.00 0.00 C ATOM 446 C ILE A 28 -3.170 3.927 8.769 1.00 0.00 C ATOM 447 O ILE A 28 -3.827 3.654 9.772 1.00 0.00 O ATOM 448 CB ILE A 28 -4.317 5.970 7.733 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.600 6.020 8.567 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.479 6.683 6.389 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.505 7.091 9.655 1.00 0.00 C ATOM 0 H ILE A 28 -5.873 3.994 7.463 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.096 4.565 6.747 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.549 6.506 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.451 6.229 7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.779 5.047 9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.814 7.706 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.523 6.696 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.216 6.155 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.429 7.106 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.668 6.866 10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.350 8.066 9.193 1.00 0.00 H new ATOM 463 N LEU A 29 -1.863 3.739 8.655 1.00 0.00 N ATOM 464 CA LEU A 29 -1.090 3.177 9.748 1.00 0.00 C ATOM 465 C LEU A 29 0.168 4.021 9.965 1.00 0.00 C ATOM 466 O LEU A 29 0.324 4.652 11.009 1.00 0.00 O ATOM 467 CB LEU A 29 -0.800 1.696 9.493 1.00 0.00 C ATOM 468 CG LEU A 29 -0.617 0.824 10.737 1.00 0.00 C ATOM 469 CD1 LEU A 29 -1.811 -0.112 10.932 1.00 0.00 C ATOM 470 CD2 LEU A 29 0.708 0.060 10.681 1.00 0.00 C ATOM 0 H LEU A 29 -1.320 3.966 7.822 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.661 3.212 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.617 1.283 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.102 1.622 8.886 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.575 1.477 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.655 -0.720 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.720 0.478 11.050 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.910 -0.761 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.813 -0.552 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.721 -0.581 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.535 0.769 10.626 1.00 0.00 H new ATOM 482 N ASN A 30 1.034 4.004 8.962 1.00 0.00 N ATOM 483 CA ASN A 30 2.273 4.760 9.029 1.00 0.00 C ATOM 484 C ASN A 30 2.025 6.182 8.522 1.00 0.00 C ATOM 485 O ASN A 30 1.298 6.381 7.550 1.00 0.00 O ATOM 486 CB ASN A 30 3.353 4.126 8.150 1.00 0.00 C ATOM 487 CG ASN A 30 4.661 3.954 8.927 1.00 0.00 C ATOM 488 OD1 ASN A 30 4.815 4.421 10.044 1.00 0.00 O ATOM 489 ND2 ASN A 30 5.589 3.260 8.276 1.00 0.00 N ATOM 0 H ASN A 30 0.902 3.478 8.098 1.00 0.00 H new ATOM 0 HA ASN A 30 2.609 4.766 10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.010 3.156 7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.526 4.750 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.496 3.090 8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.394 2.897 7.343 1.00 0.00 H new ATOM 496 N SER A 31 2.645 7.135 9.204 1.00 0.00 N ATOM 497 CA SER A 31 2.502 8.533 8.835 1.00 0.00 C ATOM 498 C SER A 31 3.604 9.364 9.494 1.00 0.00 C ATOM 499 O SER A 31 3.361 10.048 10.488 1.00 0.00 O ATOM 500 CB SER A 31 1.124 9.069 9.231 1.00 0.00 C ATOM 501 OG SER A 31 0.497 9.771 8.162 1.00 0.00 O ATOM 0 H SER A 31 3.247 6.966 10.010 1.00 0.00 H new ATOM 0 HA SER A 31 2.595 8.612 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.488 8.240 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.226 9.732 10.090 1.00 0.00 H new ATOM 0 HG SER A 31 -0.380 10.096 8.454 1.00 0.00 H new ATOM 507 N SER A 32 4.792 9.277 8.915 1.00 0.00 N ATOM 508 CA SER A 32 5.933 10.013 9.434 1.00 0.00 C ATOM 509 C SER A 32 6.063 11.355 8.710 1.00 0.00 C ATOM 510 O SER A 32 5.604 12.381 9.211 1.00 0.00 O ATOM 511 CB SER A 32 7.223 9.204 9.287 1.00 0.00 C ATOM 512 OG SER A 32 7.900 9.049 10.531 1.00 0.00 O ATOM 0 H SER A 32 4.990 8.708 8.092 1.00 0.00 H new ATOM 0 HA SER A 32 5.769 10.194 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.990 8.222 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.883 9.699 8.574 1.00 0.00 H new ATOM 0 HG SER A 32 8.717 8.526 10.396 1.00 0.00 H new ATOM 518 N GLU A 33 6.690 11.304 7.545 1.00 0.00 N ATOM 519 CA GLU A 33 6.887 12.503 6.747 1.00 0.00 C ATOM 520 C GLU A 33 6.639 12.203 5.268 1.00 0.00 C ATOM 521 O GLU A 33 5.635 12.635 4.703 1.00 0.00 O ATOM 522 CB GLU A 33 8.286 13.081 6.962 1.00 0.00 C ATOM 523 CG GLU A 33 8.277 14.144 8.064 1.00 0.00 C ATOM 524 CD GLU A 33 9.165 15.331 7.686 1.00 0.00 C ATOM 525 OE1 GLU A 33 9.157 15.769 6.526 1.00 0.00 O ATOM 526 OE2 GLU A 33 9.883 15.803 8.650 1.00 0.00 O ATOM 0 H GLU A 33 7.069 10.451 7.133 1.00 0.00 H new ATOM 0 HA GLU A 33 6.166 13.254 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.977 12.281 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.649 13.519 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.257 14.488 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.627 13.707 8.999 1.00 0.00 H new ATOM 534 N GLY A 34 7.571 11.465 4.682 1.00 0.00 N ATOM 535 CA GLY A 34 7.466 11.103 3.279 1.00 0.00 C ATOM 536 C GLY A 34 8.593 10.152 2.872 1.00 0.00 C ATOM 537 O GLY A 34 9.702 10.590 2.573 1.00 0.00 O ATOM 0 H GLY A 34 8.402 11.108 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.502 10.630 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.504 12.002 2.664 1.00 0.00 H new ATOM 541 N ASP A 35 8.270 8.867 2.877 1.00 0.00 N ATOM 542 CA ASP A 35 9.243 7.850 2.512 1.00 0.00 C ATOM 543 C ASP A 35 8.507 6.587 2.056 1.00 0.00 C ATOM 544 O ASP A 35 8.244 6.414 0.867 1.00 0.00 O ATOM 545 CB ASP A 35 10.124 7.477 3.706 1.00 0.00 C ATOM 546 CG ASP A 35 11.443 8.246 3.800 1.00 0.00 C ATOM 547 OD1 ASP A 35 11.833 8.715 4.879 1.00 0.00 O ATOM 548 OD2 ASP A 35 12.090 8.358 2.689 1.00 0.00 O ATOM 0 H ASP A 35 7.349 8.507 3.128 1.00 0.00 H new ATOM 0 HA ASP A 35 9.867 8.252 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.558 7.643 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.345 6.411 3.657 1.00 0.00 H new ATOM 554 N TRP A 36 8.196 5.740 3.024 1.00 0.00 N ATOM 555 CA TRP A 36 7.497 4.499 2.738 1.00 0.00 C ATOM 556 C TRP A 36 6.161 4.526 3.483 1.00 0.00 C ATOM 557 O TRP A 36 5.899 5.442 4.262 1.00 0.00 O ATOM 558 CB TRP A 36 8.357 3.287 3.099 1.00 0.00 C ATOM 559 CG TRP A 36 9.858 3.509 2.900 1.00 0.00 C ATOM 560 CD1 TRP A 36 10.713 4.147 3.712 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.652 3.064 1.779 1.00 0.00 C ATOM 562 NE1 TRP A 36 11.995 4.146 3.198 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.956 3.467 1.986 1.00 0.00 C ATOM 564 CE3 TRP A 36 10.280 2.347 0.629 1.00 0.00 C ATOM 565 CZ2 TRP A 36 12.993 3.198 1.084 1.00 0.00 C ATOM 566 CZ3 TRP A 36 11.328 2.086 -0.262 1.00 0.00 C ATOM 567 CH2 TRP A 36 12.646 2.484 -0.069 1.00 0.00 C ATOM 0 H TRP A 36 8.415 5.888 4.009 1.00 0.00 H new ATOM 0 HA TRP A 36 7.299 4.407 1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.174 3.021 4.140 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.042 2.437 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.434 4.604 4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 36 12.819 4.566 3.629 1.00 0.00 H new ATOM 0 HE3 TRP A 36 9.266 2.023 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 14.006 3.524 1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 11.096 1.537 -1.163 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.399 2.243 -0.805 1.00 0.00 H new ATOM 578 N TRP A 37 5.350 3.513 3.217 1.00 0.00 N ATOM 579 CA TRP A 37 4.048 3.408 3.853 1.00 0.00 C ATOM 580 C TRP A 37 3.759 1.926 4.101 1.00 0.00 C ATOM 581 O TRP A 37 3.913 1.101 3.201 1.00 0.00 O ATOM 582 CB TRP A 37 2.970 4.094 3.010 1.00 0.00 C ATOM 583 CG TRP A 37 1.907 4.823 3.834 1.00 0.00 C ATOM 584 CD1 TRP A 37 1.165 4.338 4.839 1.00 0.00 C ATOM 585 CD2 TRP A 37 1.494 6.198 3.681 1.00 0.00 C ATOM 586 NE1 TRP A 37 0.307 5.295 5.343 1.00 0.00 N ATOM 587 CE2 TRP A 37 0.515 6.462 4.616 1.00 0.00 C ATOM 588 CE3 TRP A 37 1.935 7.186 2.783 1.00 0.00 C ATOM 589 CZ2 TRP A 37 -0.108 7.710 4.744 1.00 0.00 C ATOM 590 CZ3 TRP A 37 1.303 8.428 2.923 1.00 0.00 C ATOM 591 CH2 TRP A 37 0.315 8.708 3.859 1.00 0.00 C ATOM 0 H TRP A 37 5.570 2.757 2.569 1.00 0.00 H new ATOM 0 HA TRP A 37 4.044 3.928 4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.448 4.808 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.481 3.346 2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.230 3.325 5.208 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.357 5.169 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.701 7.002 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.873 7.892 5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.604 9.223 2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.125 9.693 3.903 1.00 0.00 H new ATOM 602 N GLU A 38 3.347 1.633 5.326 1.00 0.00 N ATOM 603 CA GLU A 38 3.036 0.265 5.703 1.00 0.00 C ATOM 604 C GLU A 38 1.655 0.196 6.358 1.00 0.00 C ATOM 605 O GLU A 38 1.372 0.939 7.297 1.00 0.00 O ATOM 606 CB GLU A 38 4.112 -0.306 6.629 1.00 0.00 C ATOM 607 CG GLU A 38 4.183 -1.830 6.510 1.00 0.00 C ATOM 608 CD GLU A 38 3.608 -2.505 7.758 1.00 0.00 C ATOM 609 OE1 GLU A 38 2.467 -2.989 7.730 1.00 0.00 O ATOM 610 OE2 GLU A 38 4.392 -2.514 8.782 1.00 0.00 O ATOM 0 H GLU A 38 3.221 2.320 6.070 1.00 0.00 H new ATOM 0 HA GLU A 38 3.019 -0.346 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.080 0.128 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.895 -0.028 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.630 -2.156 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.219 -2.140 6.369 1.00 0.00 H new ATOM 618 N ALA A 39 0.833 -0.702 5.838 1.00 0.00 N ATOM 619 CA ALA A 39 -0.512 -0.878 6.361 1.00 0.00 C ATOM 620 C ALA A 39 -1.077 -2.210 5.865 1.00 0.00 C ATOM 621 O ALA A 39 -0.325 -3.101 5.475 1.00 0.00 O ATOM 622 CB ALA A 39 -1.379 0.313 5.951 1.00 0.00 C ATOM 0 H ALA A 39 1.072 -1.316 5.059 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.499 -0.911 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.387 0.181 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.950 1.231 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.418 0.377 4.864 1.00 0.00 H new ATOM 628 N ARG A 40 -2.399 -2.304 5.897 1.00 0.00 N ATOM 629 CA ARG A 40 -3.074 -3.511 5.455 1.00 0.00 C ATOM 630 C ARG A 40 -4.291 -3.156 4.598 1.00 0.00 C ATOM 631 O ARG A 40 -4.441 -2.012 4.171 1.00 0.00 O ATOM 632 CB ARG A 40 -3.528 -4.356 6.647 1.00 0.00 C ATOM 633 CG ARG A 40 -2.531 -5.481 6.933 1.00 0.00 C ATOM 634 CD ARG A 40 -3.228 -6.679 7.582 1.00 0.00 C ATOM 635 NE ARG A 40 -3.891 -6.259 8.836 1.00 0.00 N ATOM 636 CZ ARG A 40 -3.320 -6.330 10.057 1.00 0.00 C ATOM 637 NH1 ARG A 40 -2.065 -6.807 10.198 1.00 0.00 N ATOM 638 NH2 ARG A 40 -4.006 -5.928 11.110 1.00 0.00 N ATOM 0 H ARG A 40 -3.020 -1.563 6.222 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.365 -4.089 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.630 -3.723 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.511 -4.780 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.053 -5.793 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.742 -5.115 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.963 -7.099 6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.501 -7.464 7.790 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.841 -5.892 8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.542 -7.117 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.640 -6.858 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.954 -5.570 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.588 -5.975 12.039 1.00 0.00 H new ATOM 651 N SER A 41 -5.129 -4.158 4.373 1.00 0.00 N ATOM 652 CA SER A 41 -6.328 -3.964 3.574 1.00 0.00 C ATOM 653 C SER A 41 -7.523 -4.637 4.254 1.00 0.00 C ATOM 654 O SER A 41 -7.349 -5.445 5.164 1.00 0.00 O ATOM 655 CB SER A 41 -6.142 -4.518 2.160 1.00 0.00 C ATOM 656 OG SER A 41 -5.468 -3.593 1.310 1.00 0.00 O ATOM 0 H SER A 41 -5.002 -5.105 4.729 1.00 0.00 H new ATOM 0 HA SER A 41 -6.518 -2.894 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.575 -5.448 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.116 -4.759 1.734 1.00 0.00 H new ATOM 0 HG SER A 41 -5.941 -2.735 1.320 1.00 0.00 H new ATOM 662 N LEU A 42 -8.709 -4.278 3.785 1.00 0.00 N ATOM 663 CA LEU A 42 -9.932 -4.835 4.336 1.00 0.00 C ATOM 664 C LEU A 42 -10.494 -5.876 3.367 1.00 0.00 C ATOM 665 O LEU A 42 -11.683 -6.189 3.407 1.00 0.00 O ATOM 666 CB LEU A 42 -10.921 -3.720 4.683 1.00 0.00 C ATOM 667 CG LEU A 42 -11.137 -3.456 6.175 1.00 0.00 C ATOM 668 CD1 LEU A 42 -9.833 -3.028 6.850 1.00 0.00 C ATOM 669 CD2 LEU A 42 -12.258 -2.438 6.393 1.00 0.00 C ATOM 0 H LEU A 42 -8.849 -3.608 3.029 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.727 -5.350 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.576 -2.797 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.884 -3.963 4.234 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.451 -4.387 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.014 -2.847 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.090 -3.817 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.465 -2.114 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.392 -2.268 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.996 -1.499 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.185 -2.821 5.968 1.00 0.00 H new ATOM 681 N THR A 43 -9.613 -6.385 2.518 1.00 0.00 N ATOM 682 CA THR A 43 -10.007 -7.385 1.540 1.00 0.00 C ATOM 683 C THR A 43 -9.373 -8.737 1.875 1.00 0.00 C ATOM 684 O THR A 43 -10.079 -9.709 2.138 1.00 0.00 O ATOM 685 CB THR A 43 -9.629 -6.864 0.153 1.00 0.00 C ATOM 686 OG1 THR A 43 -10.160 -5.541 0.122 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.375 -7.590 -0.968 1.00 0.00 C ATOM 0 H THR A 43 -8.628 -6.124 2.487 1.00 0.00 H new ATOM 0 HA THR A 43 -11.084 -7.553 1.558 1.00 0.00 H new ATOM 0 HB THR A 43 -8.555 -6.973 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.958 -5.128 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.070 -7.182 -1.932 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.139 -8.653 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.449 -7.453 -0.839 1.00 0.00 H new ATOM 695 N THR A 44 -8.048 -8.755 1.853 1.00 0.00 N ATOM 696 CA THR A 44 -7.311 -9.971 2.150 1.00 0.00 C ATOM 697 C THR A 44 -6.507 -9.805 3.440 1.00 0.00 C ATOM 698 O THR A 44 -6.664 -10.584 4.379 1.00 0.00 O ATOM 699 CB THR A 44 -6.447 -10.310 0.934 1.00 0.00 C ATOM 700 OG1 THR A 44 -6.419 -9.100 0.180 1.00 0.00 O ATOM 701 CG2 THR A 44 -7.121 -11.316 -0.002 1.00 0.00 C ATOM 0 H THR A 44 -7.466 -7.946 1.634 1.00 0.00 H new ATOM 0 HA THR A 44 -7.985 -10.808 2.330 1.00 0.00 H new ATOM 0 HB THR A 44 -5.490 -10.711 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.878 -9.230 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.465 -11.522 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.316 -12.242 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.062 -10.902 -0.364 1.00 0.00 H new ATOM 709 N GLY A 45 -5.660 -8.785 3.446 1.00 0.00 N ATOM 710 CA GLY A 45 -4.830 -8.506 4.604 1.00 0.00 C ATOM 711 C GLY A 45 -3.365 -8.848 4.324 1.00 0.00 C ATOM 712 O GLY A 45 -2.829 -9.805 4.879 1.00 0.00 O ATOM 0 H GLY A 45 -5.532 -8.141 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.916 -7.453 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.185 -9.083 5.458 1.00 0.00 H new ATOM 716 N GLU A 46 -2.758 -8.044 3.463 1.00 0.00 N ATOM 717 CA GLU A 46 -1.365 -8.249 3.103 1.00 0.00 C ATOM 718 C GLU A 46 -0.525 -7.040 3.521 1.00 0.00 C ATOM 719 O GLU A 46 -0.846 -5.905 3.172 1.00 0.00 O ATOM 720 CB GLU A 46 -1.221 -8.524 1.604 1.00 0.00 C ATOM 721 CG GLU A 46 -2.283 -7.767 0.803 1.00 0.00 C ATOM 722 CD GLU A 46 -2.271 -8.195 -0.665 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.777 -9.276 -1.001 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.711 -7.358 -1.472 1.00 0.00 O ATOM 0 H GLU A 46 -3.205 -7.250 3.005 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.997 -9.125 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.227 -8.226 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.313 -9.594 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.268 -7.953 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.102 -6.695 0.874 1.00 0.00 H new ATOM 732 N THR A 47 0.533 -7.326 4.264 1.00 0.00 N ATOM 733 CA THR A 47 1.421 -6.276 4.735 1.00 0.00 C ATOM 734 C THR A 47 2.782 -6.379 4.042 1.00 0.00 C ATOM 735 O THR A 47 3.449 -7.408 4.126 1.00 0.00 O ATOM 736 CB THR A 47 1.507 -6.376 6.259 1.00 0.00 C ATOM 737 OG1 THR A 47 2.508 -5.427 6.614 1.00 0.00 O ATOM 738 CG2 THR A 47 2.081 -7.715 6.727 1.00 0.00 C ATOM 0 H THR A 47 0.796 -8.269 4.552 1.00 0.00 H new ATOM 0 HA THR A 47 1.035 -5.289 4.482 1.00 0.00 H new ATOM 0 HB THR A 47 0.515 -6.237 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.085 -4.642 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.120 -7.733 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.446 -8.527 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.087 -7.840 6.326 1.00 0.00 H new ATOM 746 N GLY A 48 3.153 -5.296 3.374 1.00 0.00 N ATOM 747 CA GLY A 48 4.422 -5.251 2.667 1.00 0.00 C ATOM 748 C GLY A 48 4.968 -3.823 2.610 1.00 0.00 C ATOM 749 O GLY A 48 4.419 -2.920 3.239 1.00 0.00 O ATOM 0 H GLY A 48 2.597 -4.443 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.143 -5.900 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.292 -5.635 1.655 1.00 0.00 H new ATOM 753 N TYR A 49 6.042 -3.664 1.851 1.00 0.00 N ATOM 754 CA TYR A 49 6.668 -2.361 1.705 1.00 0.00 C ATOM 755 C TYR A 49 6.640 -1.901 0.245 1.00 0.00 C ATOM 756 O TYR A 49 7.163 -2.583 -0.634 1.00 0.00 O ATOM 757 CB TYR A 49 8.123 -2.541 2.142 1.00 0.00 C ATOM 758 CG TYR A 49 8.284 -3.221 3.503 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.858 -2.580 4.649 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.855 -4.474 3.586 1.00 0.00 C ATOM 761 CE1 TYR A 49 8.009 -3.220 5.930 1.00 0.00 C ATOM 762 CE2 TYR A 49 9.006 -5.114 4.866 1.00 0.00 C ATOM 763 CZ TYR A 49 8.576 -4.455 5.975 1.00 0.00 C ATOM 764 OH TYR A 49 8.719 -5.060 7.186 1.00 0.00 O ATOM 0 H TYR A 49 6.495 -4.416 1.331 1.00 0.00 H new ATOM 0 HA TYR A 49 6.142 -1.613 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.648 -3.129 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.605 -1.564 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.412 -1.599 4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.189 -4.975 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.679 -2.730 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.451 -6.095 4.944 1.00 0.00 H new ATOM 0 HH TYR A 49 9.138 -5.938 7.066 1.00 0.00 H new ATOM 774 N ILE A 50 6.024 -0.746 0.034 1.00 0.00 N ATOM 775 CA ILE A 50 5.921 -0.187 -1.303 1.00 0.00 C ATOM 776 C ILE A 50 6.186 1.319 -1.243 1.00 0.00 C ATOM 777 O ILE A 50 6.341 1.882 -0.161 1.00 0.00 O ATOM 778 CB ILE A 50 4.575 -0.550 -1.933 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.414 -0.043 -1.076 1.00 0.00 C ATOM 780 CG2 ILE A 50 4.481 -2.055 -2.195 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.547 0.946 -1.858 1.00 0.00 C ATOM 0 H ILE A 50 5.592 -0.183 0.766 1.00 0.00 H new ATOM 0 HA ILE A 50 6.679 -0.619 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 50 4.503 -0.050 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.805 -0.885 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.803 0.439 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.515 -2.287 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.278 -2.356 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.583 -2.595 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.729 1.291 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.153 1.798 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.140 0.454 -2.741 1.00 0.00 H new ATOM 793 N PRO A 51 6.231 1.942 -2.451 1.00 0.00 N ATOM 794 CA PRO A 51 6.475 3.372 -2.545 1.00 0.00 C ATOM 795 C PRO A 51 5.164 4.157 -2.477 1.00 0.00 C ATOM 796 O PRO A 51 4.101 3.625 -2.790 1.00 0.00 O ATOM 797 CB PRO A 51 7.212 3.559 -3.861 1.00 0.00 C ATOM 798 CG PRO A 51 6.943 2.300 -4.671 1.00 0.00 C ATOM 799 CD PRO A 51 6.370 1.254 -3.731 1.00 0.00 C ATOM 0 HA PRO A 51 7.068 3.754 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.855 4.445 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.281 3.696 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.244 2.509 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.863 1.938 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.409 0.885 -4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.032 0.392 -3.647 1.00 0.00 H new ATOM 807 N SER A 52 5.283 5.411 -2.064 1.00 0.00 N ATOM 808 CA SER A 52 4.120 6.275 -1.950 1.00 0.00 C ATOM 809 C SER A 52 4.133 7.319 -3.069 1.00 0.00 C ATOM 810 O SER A 52 3.671 8.443 -2.879 1.00 0.00 O ATOM 811 CB SER A 52 4.076 6.962 -0.584 1.00 0.00 C ATOM 812 OG SER A 52 5.227 7.769 -0.354 1.00 0.00 O ATOM 0 H SER A 52 6.167 5.849 -1.804 1.00 0.00 H new ATOM 0 HA SER A 52 3.226 5.659 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.181 7.580 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.000 6.207 0.199 1.00 0.00 H new ATOM 0 HG SER A 52 5.160 8.191 0.528 1.00 0.00 H new ATOM 818 N ASN A 53 4.668 6.910 -4.210 1.00 0.00 N ATOM 819 CA ASN A 53 4.746 7.797 -5.359 1.00 0.00 C ATOM 820 C ASN A 53 3.608 7.471 -6.328 1.00 0.00 C ATOM 821 O ASN A 53 3.324 8.246 -7.241 1.00 0.00 O ATOM 822 CB ASN A 53 6.069 7.615 -6.105 1.00 0.00 C ATOM 823 CG ASN A 53 6.344 8.803 -7.030 1.00 0.00 C ATOM 824 OD1 ASN A 53 6.803 9.853 -6.613 1.00 0.00 O ATOM 825 ND2 ASN A 53 6.041 8.577 -8.305 1.00 0.00 N ATOM 0 H ASN A 53 5.051 5.977 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 53 4.673 8.823 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.884 7.511 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.038 6.695 -6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.190 9.307 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.660 7.674 -8.586 1.00 0.00 H new ATOM 832 N TYR A 54 2.986 6.324 -6.097 1.00 0.00 N ATOM 833 CA TYR A 54 1.886 5.887 -6.938 1.00 0.00 C ATOM 834 C TYR A 54 0.556 5.964 -6.185 1.00 0.00 C ATOM 835 O TYR A 54 -0.278 5.066 -6.296 1.00 0.00 O ATOM 836 CB TYR A 54 2.176 4.426 -7.286 1.00 0.00 C ATOM 837 CG TYR A 54 3.532 4.205 -7.959 1.00 0.00 C ATOM 838 CD1 TYR A 54 3.652 4.325 -9.329 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.637 3.883 -7.195 1.00 0.00 C ATOM 840 CE1 TYR A 54 4.928 4.117 -9.961 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.913 3.675 -7.828 1.00 0.00 C ATOM 842 CZ TYR A 54 5.996 3.802 -9.179 1.00 0.00 C ATOM 843 OH TYR A 54 7.202 3.605 -9.776 1.00 0.00 O ATOM 0 H TYR A 54 3.224 5.684 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 54 1.804 6.520 -7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.133 3.830 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.390 4.057 -7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.788 4.575 -9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.544 3.787 -6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.035 4.209 -11.032 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.785 3.424 -7.243 1.00 0.00 H new ATOM 0 HH TYR A 54 7.873 3.388 -9.095 1.00 0.00 H new ATOM 853 N VAL A 55 0.399 7.046 -5.436 1.00 0.00 N ATOM 854 CA VAL A 55 -0.816 7.252 -4.665 1.00 0.00 C ATOM 855 C VAL A 55 -1.844 7.986 -5.527 1.00 0.00 C ATOM 856 O VAL A 55 -1.512 8.498 -6.595 1.00 0.00 O ATOM 857 CB VAL A 55 -0.490 7.990 -3.364 1.00 0.00 C ATOM 858 CG1 VAL A 55 0.259 7.080 -2.389 1.00 0.00 C ATOM 859 CG2 VAL A 55 0.305 9.268 -3.643 1.00 0.00 C ATOM 0 H VAL A 55 1.092 7.789 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.255 6.296 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.432 8.277 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.478 7.630 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.358 6.213 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.192 6.748 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.524 9.773 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.239 9.013 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.281 9.929 -4.282 1.00 0.00 H new ATOM 869 N ALA A 56 -3.073 8.012 -5.032 1.00 0.00 N ATOM 870 CA ALA A 56 -4.152 8.674 -5.745 1.00 0.00 C ATOM 871 C ALA A 56 -5.178 9.199 -4.737 1.00 0.00 C ATOM 872 O ALA A 56 -5.826 8.418 -4.043 1.00 0.00 O ATOM 873 CB ALA A 56 -4.770 7.704 -6.753 1.00 0.00 C ATOM 0 H ALA A 56 -3.345 7.586 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.773 9.528 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.579 8.201 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.008 7.384 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.163 6.834 -6.227 1.00 0.00 H new ATOM 879 N PRO A 57 -5.294 10.553 -4.687 1.00 0.00 N ATOM 880 CA PRO A 57 -6.228 11.190 -3.775 1.00 0.00 C ATOM 881 C PRO A 57 -7.577 11.435 -4.456 1.00 0.00 C ATOM 882 O PRO A 57 -7.780 12.472 -5.084 1.00 0.00 O ATOM 883 CB PRO A 57 -5.540 12.474 -3.341 1.00 0.00 C ATOM 884 CG PRO A 57 -4.458 12.737 -4.375 1.00 0.00 C ATOM 885 CD PRO A 57 -4.273 11.468 -5.190 1.00 0.00 C ATOM 0 HA PRO A 57 -6.463 10.569 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.248 13.301 -3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.111 12.370 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.742 13.568 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.524 13.017 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.402 11.659 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.273 11.056 -5.059 1.00 0.00 H new ATOM 893 N VAL A 58 -8.464 10.462 -4.305 1.00 0.00 N ATOM 894 CA VAL A 58 -9.787 10.559 -4.897 1.00 0.00 C ATOM 895 C VAL A 58 -10.738 11.230 -3.903 1.00 0.00 C ATOM 896 O VAL A 58 -10.429 11.336 -2.718 1.00 0.00 O ATOM 897 CB VAL A 58 -10.266 9.174 -5.340 1.00 0.00 C ATOM 898 CG1 VAL A 58 -9.719 8.822 -6.724 1.00 0.00 C ATOM 899 CG2 VAL A 58 -9.883 8.108 -4.311 1.00 0.00 C ATOM 0 H VAL A 58 -8.292 9.603 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.760 11.181 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.354 9.200 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.074 7.833 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.063 9.559 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.629 8.822 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.235 7.133 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.799 8.084 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.342 8.347 -3.352 1.00 0.00 H new ATOM 909 N ASP A 59 -11.876 11.666 -4.424 1.00 0.00 N ATOM 910 CA ASP A 59 -12.874 12.324 -3.597 1.00 0.00 C ATOM 911 C ASP A 59 -13.881 11.286 -3.099 1.00 0.00 C ATOM 912 O ASP A 59 -14.662 10.748 -3.883 1.00 0.00 O ATOM 913 CB ASP A 59 -13.639 13.382 -4.394 1.00 0.00 C ATOM 914 CG ASP A 59 -14.224 14.522 -3.560 1.00 0.00 C ATOM 915 OD1 ASP A 59 -15.434 14.790 -3.604 1.00 0.00 O ATOM 916 OD2 ASP A 59 -13.370 15.158 -2.831 1.00 0.00 O ATOM 0 H ASP A 59 -12.129 11.577 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.360 12.803 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.969 13.806 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.450 12.893 -4.933 1.00 0.00 H new TER 922 ASP A 59