USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.013) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 22 ASN : amide:sc= -0.666 X(o=-0.67,f=-0.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.024) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 22 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.41) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 19.596 -10.824 1.948 1.00 0.00 N ATOM 38 CA TYR A 4 20.917 -10.270 1.530 1.00 0.00 C ATOM 39 C TYR A 4 20.722 -8.984 0.724 1.00 0.00 C ATOM 40 O TYR A 4 19.642 -8.697 0.246 1.00 0.00 O ATOM 41 CB TYR A 4 21.544 -11.359 0.659 1.00 0.00 C ATOM 42 CG TYR A 4 22.728 -11.961 1.377 1.00 0.00 C ATOM 43 CD1 TYR A 4 23.987 -11.355 1.279 1.00 0.00 C ATOM 44 CD2 TYR A 4 22.568 -13.124 2.140 1.00 0.00 C ATOM 45 CE1 TYR A 4 25.085 -11.913 1.945 1.00 0.00 C ATOM 46 CE2 TYR A 4 23.667 -13.681 2.806 1.00 0.00 C ATOM 47 CZ TYR A 4 24.925 -13.076 2.708 1.00 0.00 C ATOM 48 OH TYR A 4 26.008 -13.625 3.364 1.00 0.00 O ATOM 0 HA TYR A 4 21.547 -10.016 2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 4 20.808 -12.132 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 4 21.860 -10.939 -0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.111 -10.458 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 4 21.597 -13.591 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.056 -11.446 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 4 23.544 -14.578 3.395 1.00 0.00 H new ATOM 0 HH TYR A 4 25.724 -14.428 3.848 1.00 0.00 H new ATOM 58 N PHE A 5 21.759 -8.207 0.569 1.00 0.00 N ATOM 59 CA PHE A 5 21.634 -6.940 -0.208 1.00 0.00 C ATOM 60 C PHE A 5 22.807 -6.800 -1.181 1.00 0.00 C ATOM 61 O PHE A 5 23.751 -7.563 -1.143 1.00 0.00 O ATOM 62 CB PHE A 5 21.671 -5.828 0.840 1.00 0.00 C ATOM 63 CG PHE A 5 20.568 -6.050 1.848 1.00 0.00 C ATOM 64 CD1 PHE A 5 20.782 -6.892 2.946 1.00 0.00 C ATOM 65 CD2 PHE A 5 19.332 -5.413 1.685 1.00 0.00 C ATOM 66 CE1 PHE A 5 19.760 -7.097 3.880 1.00 0.00 C ATOM 67 CE2 PHE A 5 18.310 -5.619 2.619 1.00 0.00 C ATOM 68 CZ PHE A 5 18.524 -6.461 3.717 1.00 0.00 C ATOM 0 H PHE A 5 22.688 -8.394 0.947 1.00 0.00 H new ATOM 0 HA PHE A 5 20.722 -6.908 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 5 22.639 -5.817 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 5 21.550 -4.857 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 5 21.736 -7.383 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 5 19.167 -4.763 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.925 -7.746 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 5 17.356 -5.128 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 5 17.736 -6.620 4.438 1.00 0.00 H new ATOM 78 N THR A 6 22.757 -5.831 -2.054 1.00 0.00 N ATOM 79 CA THR A 6 23.873 -5.648 -3.026 1.00 0.00 C ATOM 80 C THR A 6 24.025 -4.170 -3.393 1.00 0.00 C ATOM 81 O THR A 6 23.059 -3.483 -3.659 1.00 0.00 O ATOM 82 CB THR A 6 23.468 -6.463 -4.255 1.00 0.00 C ATOM 83 OG1 THR A 6 24.285 -6.093 -5.356 1.00 0.00 O ATOM 84 CG2 THR A 6 22.001 -6.190 -4.591 1.00 0.00 C ATOM 0 H THR A 6 21.994 -5.159 -2.136 1.00 0.00 H new ATOM 0 HA THR A 6 24.829 -5.973 -2.616 1.00 0.00 H new ATOM 0 HB THR A 6 23.598 -7.525 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 6 24.028 -6.615 -6.144 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.714 -6.772 -5.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.375 -6.475 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 6 21.867 -5.129 -4.800 1.00 0.00 H new ATOM 92 N LEU A 7 25.233 -3.680 -3.416 1.00 0.00 N ATOM 93 CA LEU A 7 25.454 -2.250 -3.773 1.00 0.00 C ATOM 94 C LEU A 7 26.538 -2.144 -4.848 1.00 0.00 C ATOM 95 O LEU A 7 27.434 -2.960 -4.920 1.00 0.00 O ATOM 96 CB LEU A 7 25.914 -1.582 -2.476 1.00 0.00 C ATOM 97 CG LEU A 7 25.579 -0.090 -2.522 1.00 0.00 C ATOM 98 CD1 LEU A 7 24.310 0.174 -1.708 1.00 0.00 C ATOM 99 CD2 LEU A 7 26.740 0.711 -1.928 1.00 0.00 C ATOM 0 H LEU A 7 26.079 -4.209 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 7 24.557 -1.778 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 7 25.425 -2.049 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.987 -1.720 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 7 25.417 0.214 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.071 1.237 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.482 -0.397 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.471 -0.130 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.503 1.774 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.901 0.406 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.645 0.524 -2.506 1.00 0.00 H new ATOM 111 N GLN A 8 26.463 -1.148 -5.687 1.00 0.00 N ATOM 112 CA GLN A 8 27.491 -1.000 -6.755 1.00 0.00 C ATOM 113 C GLN A 8 27.959 0.456 -6.841 1.00 0.00 C ATOM 114 O GLN A 8 27.203 1.376 -6.602 1.00 0.00 O ATOM 115 CB GLN A 8 26.783 -1.416 -8.045 1.00 0.00 C ATOM 116 CG GLN A 8 26.086 -2.763 -7.832 1.00 0.00 C ATOM 117 CD GLN A 8 26.088 -3.551 -9.143 1.00 0.00 C ATOM 118 OE1 GLN A 8 25.045 -3.919 -9.646 1.00 0.00 O ATOM 119 NE2 GLN A 8 27.225 -3.827 -9.722 1.00 0.00 N ATOM 0 H GLN A 8 25.736 -0.432 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 8 28.377 -1.605 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 8 26.054 -0.659 -8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 27.503 -1.492 -8.860 1.00 0.00 H new ATOM 0 HG2 GLN A 8 26.597 -3.330 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 8 25.063 -2.605 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 8 28.101 -3.518 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 8 27.238 -4.352 -10.597 1.00 0.00 H new ATOM 128 N ILE A 9 29.202 0.670 -7.179 1.00 0.00 N ATOM 129 CA ILE A 9 29.718 2.066 -7.277 1.00 0.00 C ATOM 130 C ILE A 9 30.344 2.305 -8.654 1.00 0.00 C ATOM 131 O ILE A 9 30.767 1.382 -9.322 1.00 0.00 O ATOM 132 CB ILE A 9 30.778 2.173 -6.181 1.00 0.00 C ATOM 133 CG1 ILE A 9 30.165 1.769 -4.839 1.00 0.00 C ATOM 134 CG2 ILE A 9 31.283 3.614 -6.096 1.00 0.00 C ATOM 135 CD1 ILE A 9 28.923 2.621 -4.567 1.00 0.00 C ATOM 0 H ILE A 9 29.882 -0.060 -7.391 1.00 0.00 H new ATOM 0 HA ILE A 9 28.928 2.807 -7.155 1.00 0.00 H new ATOM 0 HB ILE A 9 31.611 1.510 -6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 9 29.898 0.712 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 9 30.893 1.904 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 9 32.039 3.689 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 9 31.720 3.903 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 9 30.451 4.278 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 28.486 2.333 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 9 29.204 3.674 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 9 28.193 2.464 -5.361 1.00 0.00 H new ATOM 147 N ARG A 10 30.406 3.536 -9.083 1.00 0.00 N ATOM 148 CA ARG A 10 31.005 3.832 -10.416 1.00 0.00 C ATOM 149 C ARG A 10 32.262 4.690 -10.252 1.00 0.00 C ATOM 150 O ARG A 10 32.623 5.455 -11.125 1.00 0.00 O ATOM 151 CB ARG A 10 29.923 4.604 -11.173 1.00 0.00 C ATOM 152 CG ARG A 10 29.578 5.882 -10.407 1.00 0.00 C ATOM 153 CD ARG A 10 29.323 7.019 -11.399 1.00 0.00 C ATOM 154 NE ARG A 10 28.549 8.033 -10.630 1.00 0.00 N ATOM 155 CZ ARG A 10 27.942 9.003 -11.257 1.00 0.00 C ATOM 156 NH1 ARG A 10 28.521 9.587 -12.270 1.00 0.00 N ATOM 157 NH2 ARG A 10 26.757 9.389 -10.871 1.00 0.00 N ATOM 0 H ARG A 10 30.068 4.349 -8.569 1.00 0.00 H new ATOM 0 HA ARG A 10 31.306 2.927 -10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.272 4.851 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.033 3.985 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.695 5.721 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.394 6.148 -9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.259 7.436 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.763 6.669 -12.266 1.00 0.00 H new ATOM 0 HE ARG A 10 28.494 7.969 -9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.448 9.285 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.047 10.345 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 10 26.305 8.932 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.283 10.147 -11.361 1.00 0.00 H new ATOM 171 N GLY A 11 32.933 4.569 -9.139 1.00 0.00 N ATOM 172 CA GLY A 11 34.166 5.377 -8.919 1.00 0.00 C ATOM 173 C GLY A 11 34.927 4.830 -7.710 1.00 0.00 C ATOM 174 O GLY A 11 34.359 4.202 -6.839 1.00 0.00 O ATOM 0 H GLY A 11 32.681 3.945 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.799 5.343 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.904 6.422 -8.754 1.00 0.00 H new ATOM 178 N ARG A 12 36.210 5.064 -7.650 1.00 0.00 N ATOM 179 CA ARG A 12 37.008 4.557 -6.496 1.00 0.00 C ATOM 180 C ARG A 12 36.978 5.566 -5.344 1.00 0.00 C ATOM 181 O ARG A 12 37.128 5.212 -4.192 1.00 0.00 O ATOM 182 CB ARG A 12 38.430 4.403 -7.037 1.00 0.00 C ATOM 183 CG ARG A 12 39.141 3.272 -6.293 1.00 0.00 C ATOM 184 CD ARG A 12 40.308 2.760 -7.140 1.00 0.00 C ATOM 185 NE ARG A 12 41.378 2.428 -6.159 1.00 0.00 N ATOM 186 CZ ARG A 12 42.180 1.424 -6.384 1.00 0.00 C ATOM 187 NH1 ARG A 12 41.693 0.224 -6.549 1.00 0.00 N ATOM 188 NH2 ARG A 12 43.470 1.618 -6.444 1.00 0.00 N ATOM 0 H ARG A 12 36.740 5.584 -8.349 1.00 0.00 H new ATOM 0 HA ARG A 12 36.616 3.619 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 12 38.402 4.188 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 12 38.980 5.336 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 12 39.506 3.629 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 12 38.442 2.461 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.020 1.884 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.643 3.517 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 12 41.484 2.985 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 12 40.686 0.072 -6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.320 -0.561 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 12 43.851 2.555 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 12 44.096 0.832 -6.620 1.00 0.00 H new ATOM 202 N GLU A 13 36.787 6.821 -5.647 1.00 0.00 N ATOM 203 CA GLU A 13 36.751 7.852 -4.570 1.00 0.00 C ATOM 204 C GLU A 13 35.595 7.574 -3.603 1.00 0.00 C ATOM 205 O GLU A 13 35.735 7.698 -2.403 1.00 0.00 O ATOM 206 CB GLU A 13 36.534 9.178 -5.300 1.00 0.00 C ATOM 207 CG GLU A 13 37.888 9.794 -5.654 1.00 0.00 C ATOM 208 CD GLU A 13 38.219 10.908 -4.659 1.00 0.00 C ATOM 209 OE1 GLU A 13 37.792 10.805 -3.521 1.00 0.00 O ATOM 210 OE2 GLU A 13 38.894 11.846 -5.052 1.00 0.00 O ATOM 0 H GLU A 13 36.654 7.177 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 13 37.664 7.858 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 13 35.949 9.015 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 13 35.965 9.862 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 38.664 9.029 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 13 37.864 10.193 -6.668 1.00 0.00 H new ATOM 217 N ARG A 14 34.457 7.194 -4.116 1.00 0.00 N ATOM 218 CA ARG A 14 33.299 6.903 -3.231 1.00 0.00 C ATOM 219 C ARG A 14 33.411 5.475 -2.700 1.00 0.00 C ATOM 220 O ARG A 14 33.156 5.206 -1.542 1.00 0.00 O ATOM 221 CB ARG A 14 32.067 7.053 -4.123 1.00 0.00 C ATOM 222 CG ARG A 14 31.045 7.956 -3.429 1.00 0.00 C ATOM 223 CD ARG A 14 31.712 9.277 -3.037 1.00 0.00 C ATOM 224 NE ARG A 14 31.494 9.396 -1.569 1.00 0.00 N ATOM 225 CZ ARG A 14 31.867 10.476 -0.939 1.00 0.00 C ATOM 226 NH1 ARG A 14 33.126 10.661 -0.650 1.00 0.00 N ATOM 227 NH2 ARG A 14 30.981 11.373 -0.599 1.00 0.00 N ATOM 0 H ARG A 14 34.281 7.073 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 14 33.251 7.568 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 14 32.351 7.479 -5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 14 31.628 6.076 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 14 30.202 8.145 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 14 30.648 7.460 -2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 14 32.775 9.270 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 14 31.269 10.117 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 14 31.053 8.633 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 14 33.819 9.961 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 14 33.417 11.505 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 14 29.997 11.229 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 14 31.273 12.217 -0.106 1.00 0.00 H new ATOM 241 N PHE A 15 33.798 4.554 -3.541 1.00 0.00 N ATOM 242 CA PHE A 15 33.931 3.149 -3.076 1.00 0.00 C ATOM 243 C PHE A 15 34.737 3.121 -1.779 1.00 0.00 C ATOM 244 O PHE A 15 34.368 2.473 -0.820 1.00 0.00 O ATOM 245 CB PHE A 15 34.676 2.416 -4.191 1.00 0.00 C ATOM 246 CG PHE A 15 34.617 0.929 -3.932 1.00 0.00 C ATOM 247 CD1 PHE A 15 33.431 0.224 -4.173 1.00 0.00 C ATOM 248 CD2 PHE A 15 35.745 0.257 -3.446 1.00 0.00 C ATOM 249 CE1 PHE A 15 33.374 -1.153 -3.928 1.00 0.00 C ATOM 250 CE2 PHE A 15 35.687 -1.121 -3.202 1.00 0.00 C ATOM 251 CZ PHE A 15 34.502 -1.825 -3.442 1.00 0.00 C ATOM 0 H PHE A 15 34.026 4.714 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 15 32.967 2.683 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 15 34.228 2.647 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.713 2.749 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 15 32.561 0.743 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 15 36.659 0.801 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 32.460 -1.697 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 15 36.557 -1.640 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 15 34.457 -2.887 -3.252 1.00 0.00 H new ATOM 261 N GLU A 16 35.830 3.833 -1.738 1.00 0.00 N ATOM 262 CA GLU A 16 36.647 3.859 -0.495 1.00 0.00 C ATOM 263 C GLU A 16 35.724 4.044 0.707 1.00 0.00 C ATOM 264 O GLU A 16 35.958 3.509 1.773 1.00 0.00 O ATOM 265 CB GLU A 16 37.578 5.061 -0.653 1.00 0.00 C ATOM 266 CG GLU A 16 38.793 4.659 -1.491 1.00 0.00 C ATOM 267 CD GLU A 16 40.023 4.548 -0.588 1.00 0.00 C ATOM 268 OE1 GLU A 16 39.848 4.541 0.620 1.00 0.00 O ATOM 269 OE2 GLU A 16 41.118 4.471 -1.119 1.00 0.00 O ATOM 0 H GLU A 16 36.190 4.395 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 16 37.210 2.939 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.048 5.884 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.900 5.416 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.606 3.707 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.969 5.397 -2.273 1.00 0.00 H new ATOM 276 N GLN A 17 34.665 4.790 0.539 1.00 0.00 N ATOM 277 CA GLN A 17 33.719 4.995 1.672 1.00 0.00 C ATOM 278 C GLN A 17 32.920 3.711 1.911 1.00 0.00 C ATOM 279 O GLN A 17 32.773 3.256 3.029 1.00 0.00 O ATOM 280 CB GLN A 17 32.794 6.129 1.226 1.00 0.00 C ATOM 281 CG GLN A 17 33.597 7.426 1.107 1.00 0.00 C ATOM 282 CD GLN A 17 33.268 8.339 2.290 1.00 0.00 C ATOM 283 OE1 GLN A 17 32.411 9.195 2.192 1.00 0.00 O ATOM 284 NE2 GLN A 17 33.918 8.192 3.412 1.00 0.00 N ATOM 0 H GLN A 17 34.416 5.264 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 17 34.230 5.239 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 17 32.336 5.883 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 17 31.984 6.255 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.664 7.205 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 17 33.360 7.928 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.637 7.474 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.707 8.796 4.207 1.00 0.00 H new ATOM 293 N PHE A 18 32.410 3.121 0.865 1.00 0.00 N ATOM 294 CA PHE A 18 31.627 1.862 1.029 1.00 0.00 C ATOM 295 C PHE A 18 32.537 0.740 1.537 1.00 0.00 C ATOM 296 O PHE A 18 32.310 0.173 2.587 1.00 0.00 O ATOM 297 CB PHE A 18 31.097 1.538 -0.369 1.00 0.00 C ATOM 298 CG PHE A 18 30.085 2.582 -0.774 1.00 0.00 C ATOM 299 CD1 PHE A 18 28.731 2.403 -0.466 1.00 0.00 C ATOM 300 CD2 PHE A 18 30.500 3.731 -1.458 1.00 0.00 C ATOM 301 CE1 PHE A 18 27.793 3.373 -0.840 1.00 0.00 C ATOM 302 CE2 PHE A 18 29.563 4.700 -1.833 1.00 0.00 C ATOM 303 CZ PHE A 18 28.209 4.522 -1.524 1.00 0.00 C ATOM 0 H PHE A 18 32.501 3.455 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 18 30.819 1.967 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.918 1.514 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.639 0.549 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.410 1.516 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 31.544 3.869 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 18 26.749 3.235 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 18 29.884 5.586 -2.361 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.486 5.270 -1.813 1.00 0.00 H new ATOM 313 N ARG A 19 33.568 0.418 0.803 1.00 0.00 N ATOM 314 CA ARG A 19 34.492 -0.664 1.252 1.00 0.00 C ATOM 315 C ARG A 19 34.826 -0.482 2.736 1.00 0.00 C ATOM 316 O ARG A 19 34.740 -1.407 3.522 1.00 0.00 O ATOM 317 CB ARG A 19 35.746 -0.495 0.393 1.00 0.00 C ATOM 318 CG ARG A 19 36.686 -1.680 0.620 1.00 0.00 C ATOM 319 CD ARG A 19 36.315 -2.816 -0.334 1.00 0.00 C ATOM 320 NE ARG A 19 36.048 -3.986 0.547 1.00 0.00 N ATOM 321 CZ ARG A 19 36.078 -5.194 0.055 1.00 0.00 C ATOM 322 NH1 ARG A 19 37.212 -5.716 -0.324 1.00 0.00 N ATOM 323 NH2 ARG A 19 34.974 -5.880 -0.057 1.00 0.00 N ATOM 0 H ARG A 19 33.810 0.856 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 19 34.056 -1.657 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 19 35.472 -0.432 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 19 36.251 0.437 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 19 37.719 -1.375 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 19 36.616 -2.021 1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 19 35.438 -2.561 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 19 37.125 -3.025 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 19 35.842 -3.843 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 19 38.075 -5.180 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.235 -6.660 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.088 -5.472 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 19 34.997 -6.824 -0.442 1.00 0.00 H new ATOM 337 N GLU A 20 35.200 0.706 3.125 1.00 0.00 N ATOM 338 CA GLU A 20 35.533 0.952 4.556 1.00 0.00 C ATOM 339 C GLU A 20 34.410 0.421 5.448 1.00 0.00 C ATOM 340 O GLU A 20 34.644 -0.324 6.379 1.00 0.00 O ATOM 341 CB GLU A 20 35.646 2.472 4.683 1.00 0.00 C ATOM 342 CG GLU A 20 36.111 2.834 6.095 1.00 0.00 C ATOM 343 CD GLU A 20 37.109 3.991 6.025 1.00 0.00 C ATOM 344 OE1 GLU A 20 37.837 4.061 5.048 1.00 0.00 O ATOM 345 OE2 GLU A 20 37.129 4.788 6.948 1.00 0.00 O ATOM 0 H GLU A 20 35.289 1.517 2.513 1.00 0.00 H new ATOM 0 HA GLU A 20 36.452 0.452 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 20 36.351 2.857 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 20 34.682 2.937 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 20 35.256 3.115 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 20 36.574 1.969 6.569 1.00 0.00 H new ATOM 352 N ARG A 21 33.190 0.793 5.168 1.00 0.00 N ATOM 353 CA ARG A 21 32.057 0.300 6.000 1.00 0.00 C ATOM 354 C ARG A 21 32.010 -1.229 5.959 1.00 0.00 C ATOM 355 O ARG A 21 31.836 -1.881 6.970 1.00 0.00 O ATOM 356 CB ARG A 21 30.802 0.897 5.363 1.00 0.00 C ATOM 357 CG ARG A 21 30.694 2.372 5.747 1.00 0.00 C ATOM 358 CD ARG A 21 29.489 2.574 6.668 1.00 0.00 C ATOM 359 NE ARG A 21 30.055 2.571 8.046 1.00 0.00 N ATOM 360 CZ ARG A 21 30.566 3.664 8.544 1.00 0.00 C ATOM 361 NH1 ARG A 21 29.844 4.749 8.613 1.00 0.00 N ATOM 362 NH2 ARG A 21 31.798 3.672 8.973 1.00 0.00 N ATOM 0 H ARG A 21 32.930 1.415 4.402 1.00 0.00 H new ATOM 0 HA ARG A 21 32.152 0.590 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.846 0.794 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.917 0.356 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 21 31.606 2.696 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 21 30.587 2.985 4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 21 28.980 3.513 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 28.756 1.777 6.540 1.00 0.00 H new ATOM 0 HE ARG A 21 30.043 1.715 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 21 28.881 4.743 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 21 30.243 5.603 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.362 2.824 8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.197 4.526 9.362 1.00 0.00 H new ATOM 376 N ASN A 22 32.170 -1.808 4.798 1.00 0.00 N ATOM 377 CA ASN A 22 32.141 -3.295 4.700 1.00 0.00 C ATOM 378 C ASN A 22 32.958 -3.899 5.842 1.00 0.00 C ATOM 379 O ASN A 22 32.489 -4.748 6.576 1.00 0.00 O ATOM 380 CB ASN A 22 32.780 -3.617 3.349 1.00 0.00 C ATOM 381 CG ASN A 22 32.732 -5.126 3.109 1.00 0.00 C ATOM 382 OD1 ASN A 22 33.670 -5.701 2.594 1.00 0.00 O ATOM 383 ND2 ASN A 22 31.670 -5.797 3.462 1.00 0.00 N ATOM 0 H ASN A 22 32.319 -1.316 3.917 1.00 0.00 H new ATOM 0 HA ASN A 22 31.132 -3.702 4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 22 32.252 -3.094 2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 22 33.812 -3.268 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 22 31.628 -6.804 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 22 30.882 -5.314 3.894 1.00 0.00 H new ATOM 390 N GLU A 23 34.174 -3.458 6.007 1.00 0.00 N ATOM 391 CA GLU A 23 35.015 -3.997 7.112 1.00 0.00 C ATOM 392 C GLU A 23 34.331 -3.721 8.454 1.00 0.00 C ATOM 393 O GLU A 23 34.209 -4.592 9.296 1.00 0.00 O ATOM 394 CB GLU A 23 36.338 -3.236 7.010 1.00 0.00 C ATOM 395 CG GLU A 23 37.452 -4.061 7.658 1.00 0.00 C ATOM 396 CD GLU A 23 38.809 -3.595 7.129 1.00 0.00 C ATOM 397 OE1 GLU A 23 39.035 -2.396 7.109 1.00 0.00 O ATOM 398 OE2 GLU A 23 39.600 -4.444 6.754 1.00 0.00 O ATOM 0 H GLU A 23 34.621 -2.749 5.426 1.00 0.00 H new ATOM 0 HA GLU A 23 35.167 -5.074 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 36.577 -3.040 5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 23 36.252 -2.269 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 23 37.416 -3.952 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 23 37.309 -5.119 7.439 1.00 0.00 H new ATOM 405 N ALA A 24 33.871 -2.515 8.653 1.00 0.00 N ATOM 406 CA ALA A 24 33.182 -2.184 9.931 1.00 0.00 C ATOM 407 C ALA A 24 31.965 -3.092 10.108 1.00 0.00 C ATOM 408 O ALA A 24 31.699 -3.589 11.184 1.00 0.00 O ATOM 409 CB ALA A 24 32.748 -0.725 9.783 1.00 0.00 C ATOM 0 H ALA A 24 33.943 -1.747 7.986 1.00 0.00 H new ATOM 0 HA ALA A 24 33.822 -2.327 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 32.231 -0.406 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 33.626 -0.098 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 32.077 -0.630 8.929 1.00 0.00 H new ATOM 415 N LEU A 25 31.228 -3.321 9.054 1.00 0.00 N ATOM 416 CA LEU A 25 30.036 -4.208 9.161 1.00 0.00 C ATOM 417 C LEU A 25 30.434 -5.512 9.852 1.00 0.00 C ATOM 418 O LEU A 25 29.891 -5.875 10.877 1.00 0.00 O ATOM 419 CB LEU A 25 29.604 -4.474 7.719 1.00 0.00 C ATOM 420 CG LEU A 25 28.585 -5.614 7.694 1.00 0.00 C ATOM 421 CD1 LEU A 25 27.542 -5.342 6.609 1.00 0.00 C ATOM 422 CD2 LEU A 25 29.303 -6.932 7.390 1.00 0.00 C ATOM 0 H LEU A 25 31.400 -2.933 8.127 1.00 0.00 H new ATOM 0 HA LEU A 25 29.231 -3.761 9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 29.169 -3.573 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 25 30.470 -4.733 7.110 1.00 0.00 H new ATOM 0 HG LEU A 25 28.092 -5.682 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.815 -6.154 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 25 27.031 -4.403 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 25 28.035 -5.274 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 28.578 -7.746 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 29.795 -6.863 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 30.048 -7.127 8.162 1.00 0.00 H new ATOM 434 N GLU A 26 31.390 -6.212 9.306 1.00 0.00 N ATOM 435 CA GLU A 26 31.830 -7.483 9.943 1.00 0.00 C ATOM 436 C GLU A 26 32.040 -7.254 11.441 1.00 0.00 C ATOM 437 O GLU A 26 31.557 -8.000 12.270 1.00 0.00 O ATOM 438 CB GLU A 26 33.154 -7.831 9.261 1.00 0.00 C ATOM 439 CG GLU A 26 33.346 -9.349 9.256 1.00 0.00 C ATOM 440 CD GLU A 26 34.344 -9.734 8.162 1.00 0.00 C ATOM 441 OE1 GLU A 26 34.875 -8.835 7.529 1.00 0.00 O ATOM 442 OE2 GLU A 26 34.559 -10.919 7.974 1.00 0.00 O ATOM 0 H GLU A 26 31.883 -5.959 8.450 1.00 0.00 H new ATOM 0 HA GLU A 26 31.100 -8.285 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 26 33.160 -7.450 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 26 33.981 -7.351 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 33.709 -9.683 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 32.392 -9.846 9.084 1.00 0.00 H new ATOM 449 N LEU A 27 32.753 -6.217 11.791 1.00 0.00 N ATOM 450 CA LEU A 27 32.989 -5.929 13.235 1.00 0.00 C ATOM 451 C LEU A 27 31.691 -5.458 13.896 1.00 0.00 C ATOM 452 O LEU A 27 31.485 -5.635 15.080 1.00 0.00 O ATOM 453 CB LEU A 27 34.035 -4.814 13.250 1.00 0.00 C ATOM 454 CG LEU A 27 35.114 -5.141 14.284 1.00 0.00 C ATOM 455 CD1 LEU A 27 34.466 -5.328 15.657 1.00 0.00 C ATOM 456 CD2 LEU A 27 35.833 -6.430 13.880 1.00 0.00 C ATOM 0 H LEU A 27 33.181 -5.558 11.141 1.00 0.00 H new ATOM 0 HA LEU A 27 33.325 -6.809 13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 27 34.483 -4.708 12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 27 33.563 -3.861 13.490 1.00 0.00 H new ATOM 0 HG LEU A 27 35.832 -4.323 14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 27 35.235 -5.561 16.394 1.00 0.00 H new ATOM 0 HD12 LEU A 27 33.953 -4.410 15.945 1.00 0.00 H new ATOM 0 HD13 LEU A 27 33.747 -6.146 15.612 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.602 -6.664 14.616 1.00 0.00 H new ATOM 0 HD22 LEU A 27 35.114 -7.248 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 36.295 -6.297 12.902 1.00 0.00 H new ATOM 468 N LYS A 28 30.812 -4.860 13.137 1.00 0.00 N ATOM 469 CA LYS A 28 29.526 -4.381 13.721 1.00 0.00 C ATOM 470 C LYS A 28 28.546 -5.548 13.860 1.00 0.00 C ATOM 471 O LYS A 28 27.861 -5.681 14.855 1.00 0.00 O ATOM 472 CB LYS A 28 28.996 -3.348 12.725 1.00 0.00 C ATOM 473 CG LYS A 28 27.534 -3.022 13.047 1.00 0.00 C ATOM 474 CD LYS A 28 27.368 -2.810 14.554 1.00 0.00 C ATOM 475 CE LYS A 28 26.332 -1.713 14.804 1.00 0.00 C ATOM 476 NZ LYS A 28 25.040 -2.435 14.966 1.00 0.00 N ATOM 0 H LYS A 28 30.929 -4.683 12.139 1.00 0.00 H new ATOM 0 HA LYS A 28 29.656 -3.954 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 28 29.599 -2.441 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 28 29.077 -3.734 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.225 -2.126 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.889 -3.834 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.052 -3.738 15.030 1.00 0.00 H new ATOM 0 HD3 LYS A 28 28.323 -2.532 15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.576 -1.135 15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.291 -1.011 13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.278 -1.749 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.831 -2.971 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.107 -3.090 15.771 1.00 0.00 H new ATOM 490 N ASP A 29 28.476 -6.397 12.871 1.00 0.00 N ATOM 491 CA ASP A 29 27.543 -7.557 12.952 1.00 0.00 C ATOM 492 C ASP A 29 27.877 -8.409 14.178 1.00 0.00 C ATOM 493 O ASP A 29 27.007 -8.801 14.930 1.00 0.00 O ATOM 494 CB ASP A 29 27.780 -8.349 11.666 1.00 0.00 C ATOM 495 CG ASP A 29 26.849 -7.832 10.568 1.00 0.00 C ATOM 496 OD1 ASP A 29 25.650 -7.818 10.793 1.00 0.00 O ATOM 497 OD2 ASP A 29 27.350 -7.459 9.520 1.00 0.00 O ATOM 0 H ASP A 29 29.023 -6.338 12.012 1.00 0.00 H new ATOM 0 HA ASP A 29 26.502 -7.248 13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 29 28.819 -8.251 11.352 1.00 0.00 H new ATOM 0 HB3 ASP A 29 27.599 -9.410 11.841 1.00 0.00 H new ATOM 502 N ALA A 30 29.134 -8.695 14.387 1.00 0.00 N ATOM 503 CA ALA A 30 29.522 -9.518 15.568 1.00 0.00 C ATOM 504 C ALA A 30 28.838 -8.981 16.828 1.00 0.00 C ATOM 505 O ALA A 30 28.523 -9.720 17.740 1.00 0.00 O ATOM 506 CB ALA A 30 31.040 -9.366 15.674 1.00 0.00 C ATOM 0 H ALA A 30 29.907 -8.395 13.793 1.00 0.00 H new ATOM 0 HA ALA A 30 29.225 -10.561 15.464 1.00 0.00 H new ATOM 0 HB1 ALA A 30 31.405 -9.944 16.523 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.507 -9.730 14.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.291 -8.315 15.816 1.00 0.00 H new ATOM 512 N GLN A 31 28.604 -7.698 16.883 1.00 0.00 N ATOM 513 CA GLN A 31 27.939 -7.111 18.081 1.00 0.00 C ATOM 514 C GLN A 31 26.541 -6.607 17.711 1.00 0.00 C ATOM 515 O GLN A 31 26.344 -5.996 16.680 1.00 0.00 O ATOM 516 CB GLN A 31 28.834 -5.945 18.500 1.00 0.00 C ATOM 517 CG GLN A 31 29.833 -6.421 19.556 1.00 0.00 C ATOM 518 CD GLN A 31 30.839 -5.306 19.846 1.00 0.00 C ATOM 519 OE1 GLN A 31 32.013 -5.443 19.566 1.00 0.00 O ATOM 520 NE2 GLN A 31 30.425 -4.199 20.400 1.00 0.00 N ATOM 0 H GLN A 31 28.845 -7.031 16.150 1.00 0.00 H new ATOM 0 HA GLN A 31 27.815 -7.838 18.884 1.00 0.00 H new ATOM 0 HB2 GLN A 31 29.365 -5.551 17.633 1.00 0.00 H new ATOM 0 HB3 GLN A 31 28.227 -5.132 18.899 1.00 0.00 H new ATOM 0 HG2 GLN A 31 29.308 -6.698 20.470 1.00 0.00 H new ATOM 0 HG3 GLN A 31 30.353 -7.312 19.204 1.00 0.00 H new ATOM 0 HE21 GLN A 31 29.439 -4.084 20.635 1.00 0.00 H new ATOM 0 HE22 GLN A 31 31.087 -3.449 20.598 1.00 0.00 H new ATOM 606 N TYR B 4 34.329 -0.147 -12.591 1.00 0.00 N ATOM 607 CA TYR B 4 33.126 -0.225 -11.714 1.00 0.00 C ATOM 608 C TYR B 4 33.428 -1.067 -10.472 1.00 0.00 C ATOM 609 O TYR B 4 34.394 -1.802 -10.428 1.00 0.00 O ATOM 610 CB TYR B 4 32.053 -0.900 -12.570 1.00 0.00 C ATOM 611 CG TYR B 4 30.973 0.100 -12.906 1.00 0.00 C ATOM 612 CD1 TYR B 4 29.917 0.317 -12.012 1.00 0.00 C ATOM 613 CD2 TYR B 4 31.027 0.811 -14.111 1.00 0.00 C ATOM 614 CE1 TYR B 4 28.916 1.244 -12.323 1.00 0.00 C ATOM 615 CE2 TYR B 4 30.025 1.738 -14.422 1.00 0.00 C ATOM 616 CZ TYR B 4 28.970 1.954 -13.528 1.00 0.00 C ATOM 617 OH TYR B 4 27.982 2.868 -13.835 1.00 0.00 O ATOM 0 HA TYR B 4 32.809 0.757 -11.362 1.00 0.00 H new ATOM 0 HB2 TYR B 4 32.497 -1.293 -13.485 1.00 0.00 H new ATOM 0 HB3 TYR B 4 31.625 -1.747 -12.034 1.00 0.00 H new ATOM 0 HD1 TYR B 4 29.875 -0.231 -11.082 1.00 0.00 H new ATOM 0 HD2 TYR B 4 31.841 0.644 -14.800 1.00 0.00 H new ATOM 0 HE1 TYR B 4 28.102 1.412 -11.633 1.00 0.00 H new ATOM 0 HE2 TYR B 4 30.066 2.286 -15.352 1.00 0.00 H new ATOM 0 HH TYR B 4 28.171 3.274 -14.707 1.00 0.00 H new ATOM 627 N PHE B 5 32.607 -0.965 -9.462 1.00 0.00 N ATOM 628 CA PHE B 5 32.845 -1.759 -8.223 1.00 0.00 C ATOM 629 C PHE B 5 31.541 -2.411 -7.757 1.00 0.00 C ATOM 630 O PHE B 5 30.478 -2.133 -8.275 1.00 0.00 O ATOM 631 CB PHE B 5 33.338 -0.745 -7.191 1.00 0.00 C ATOM 632 CG PHE B 5 34.566 -0.045 -7.722 1.00 0.00 C ATOM 633 CD1 PHE B 5 34.431 1.081 -8.543 1.00 0.00 C ATOM 634 CD2 PHE B 5 35.841 -0.524 -7.394 1.00 0.00 C ATOM 635 CE1 PHE B 5 35.570 1.728 -9.036 1.00 0.00 C ATOM 636 CE2 PHE B 5 36.980 0.124 -7.887 1.00 0.00 C ATOM 637 CZ PHE B 5 36.844 1.250 -8.708 1.00 0.00 C ATOM 0 H PHE B 5 31.782 -0.366 -9.441 1.00 0.00 H new ATOM 0 HA PHE B 5 33.564 -2.563 -8.378 1.00 0.00 H new ATOM 0 HB2 PHE B 5 32.555 -0.017 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE B 5 33.570 -1.248 -6.253 1.00 0.00 H new ATOM 0 HD1 PHE B 5 33.448 1.450 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE B 5 35.945 -1.393 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE B 5 35.466 2.596 -9.670 1.00 0.00 H new ATOM 0 HE2 PHE B 5 37.963 -0.245 -7.634 1.00 0.00 H new ATOM 0 HZ PHE B 5 37.723 1.750 -9.088 1.00 0.00 H new ATOM 647 N THR B 6 31.612 -3.278 -6.784 1.00 0.00 N ATOM 648 CA THR B 6 30.372 -3.944 -6.291 1.00 0.00 C ATOM 649 C THR B 6 30.502 -4.282 -4.804 1.00 0.00 C ATOM 650 O THR B 6 31.511 -4.791 -4.357 1.00 0.00 O ATOM 651 CB THR B 6 30.253 -5.223 -7.122 1.00 0.00 C ATOM 652 OG1 THR B 6 29.299 -6.088 -6.523 1.00 0.00 O ATOM 653 CG2 THR B 6 31.612 -5.922 -7.183 1.00 0.00 C ATOM 0 H THR B 6 32.472 -3.554 -6.310 1.00 0.00 H new ATOM 0 HA THR B 6 29.495 -3.305 -6.393 1.00 0.00 H new ATOM 0 HB THR B 6 29.931 -4.972 -8.133 1.00 0.00 H new ATOM 0 HG1 THR B 6 29.221 -6.907 -7.055 1.00 0.00 H new ATOM 0 HG21 THR B 6 31.526 -6.833 -7.775 1.00 0.00 H new ATOM 0 HG22 THR B 6 32.343 -5.257 -7.644 1.00 0.00 H new ATOM 0 HG23 THR B 6 31.937 -6.175 -6.174 1.00 0.00 H new ATOM 661 N LEU B 7 29.484 -4.006 -4.037 1.00 0.00 N ATOM 662 CA LEU B 7 29.540 -4.312 -2.579 1.00 0.00 C ATOM 663 C LEU B 7 28.283 -5.078 -2.159 1.00 0.00 C ATOM 664 O LEU B 7 27.221 -4.905 -2.724 1.00 0.00 O ATOM 665 CB LEU B 7 29.594 -2.949 -1.888 1.00 0.00 C ATOM 666 CG LEU B 7 30.262 -3.094 -0.520 1.00 0.00 C ATOM 667 CD1 LEU B 7 31.716 -2.628 -0.609 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.515 -2.237 0.505 1.00 0.00 C ATOM 0 H LEU B 7 28.614 -3.581 -4.357 1.00 0.00 H new ATOM 0 HA LEU B 7 30.397 -4.933 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU B 7 30.150 -2.240 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU B 7 28.587 -2.549 -1.772 1.00 0.00 H new ATOM 0 HG LEU B 7 30.234 -4.139 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU B 7 32.192 -2.732 0.366 1.00 0.00 H new ATOM 0 HD12 LEU B 7 32.249 -3.237 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU B 7 31.745 -1.583 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU B 7 29.990 -2.340 1.481 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.543 -1.192 0.196 1.00 0.00 H new ATOM 0 HD23 LEU B 7 28.479 -2.568 0.570 1.00 0.00 H new ATOM 680 N GLN B 8 28.392 -5.925 -1.173 1.00 0.00 N ATOM 681 CA GLN B 8 27.200 -6.699 -0.723 1.00 0.00 C ATOM 682 C GLN B 8 27.101 -6.678 0.804 1.00 0.00 C ATOM 683 O GLN B 8 28.095 -6.643 1.501 1.00 0.00 O ATOM 684 CB GLN B 8 27.441 -8.122 -1.228 1.00 0.00 C ATOM 685 CG GLN B 8 27.824 -8.081 -2.708 1.00 0.00 C ATOM 686 CD GLN B 8 27.305 -9.340 -3.405 1.00 0.00 C ATOM 687 OE1 GLN B 8 28.068 -10.086 -3.985 1.00 0.00 O ATOM 688 NE2 GLN B 8 26.028 -9.609 -3.372 1.00 0.00 N ATOM 0 H GLN B 8 29.253 -6.115 -0.660 1.00 0.00 H new ATOM 0 HA GLN B 8 26.268 -6.283 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN B 8 28.234 -8.595 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN B 8 26.543 -8.725 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN B 8 27.403 -7.192 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN B 8 28.907 -8.015 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN B 8 25.387 -8.982 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN B 8 25.671 -10.446 -3.833 1.00 0.00 H new ATOM 697 N ILE B 9 25.906 -6.699 1.329 1.00 0.00 N ATOM 698 CA ILE B 9 25.743 -6.681 2.811 1.00 0.00 C ATOM 699 C ILE B 9 24.877 -7.860 3.261 1.00 0.00 C ATOM 700 O ILE B 9 24.092 -8.392 2.501 1.00 0.00 O ATOM 701 CB ILE B 9 25.045 -5.355 3.115 1.00 0.00 C ATOM 702 CG1 ILE B 9 25.851 -4.205 2.506 1.00 0.00 C ATOM 703 CG2 ILE B 9 24.950 -5.163 4.630 1.00 0.00 C ATOM 704 CD1 ILE B 9 27.292 -4.264 3.016 1.00 0.00 C ATOM 0 H ILE B 9 25.036 -6.728 0.797 1.00 0.00 H new ATOM 0 HA ILE B 9 26.695 -6.769 3.334 1.00 0.00 H new ATOM 0 HB ILE B 9 24.043 -5.365 2.687 1.00 0.00 H new ATOM 0 HG12 ILE B 9 25.836 -4.273 1.418 1.00 0.00 H new ATOM 0 HG13 ILE B 9 25.399 -3.249 2.772 1.00 0.00 H new ATOM 0 HG21 ILE B 9 24.452 -4.218 4.846 1.00 0.00 H new ATOM 0 HG22 ILE B 9 24.378 -5.982 5.065 1.00 0.00 H new ATOM 0 HG23 ILE B 9 25.952 -5.152 5.059 1.00 0.00 H new ATOM 0 HD11 ILE B 9 27.865 -3.445 2.582 1.00 0.00 H new ATOM 0 HD12 ILE B 9 27.297 -4.175 4.102 1.00 0.00 H new ATOM 0 HD13 ILE B 9 27.741 -5.214 2.728 1.00 0.00 H new ATOM 716 N ARG B 10 25.014 -8.273 4.491 1.00 0.00 N ATOM 717 CA ARG B 10 24.199 -9.418 4.989 1.00 0.00 C ATOM 718 C ARG B 10 23.272 -8.955 6.115 1.00 0.00 C ATOM 719 O ARG B 10 22.912 -9.718 6.990 1.00 0.00 O ATOM 720 CB ARG B 10 25.218 -10.430 5.514 1.00 0.00 C ATOM 721 CG ARG B 10 26.040 -9.789 6.634 1.00 0.00 C ATOM 722 CD ARG B 10 26.317 -10.827 7.724 1.00 0.00 C ATOM 723 NE ARG B 10 27.480 -10.288 8.480 1.00 0.00 N ATOM 724 CZ ARG B 10 28.134 -11.057 9.307 1.00 0.00 C ATOM 725 NH1 ARG B 10 27.485 -11.900 10.064 1.00 0.00 N ATOM 726 NH2 ARG B 10 29.435 -10.984 9.377 1.00 0.00 N ATOM 0 H ARG B 10 25.655 -7.867 5.173 1.00 0.00 H new ATOM 0 HA ARG B 10 23.565 -9.844 4.211 1.00 0.00 H new ATOM 0 HB2 ARG B 10 24.707 -11.318 5.886 1.00 0.00 H new ATOM 0 HB3 ARG B 10 25.874 -10.754 4.706 1.00 0.00 H new ATOM 0 HG2 ARG B 10 26.979 -9.405 6.236 1.00 0.00 H new ATOM 0 HG3 ARG B 10 25.501 -8.940 7.054 1.00 0.00 H new ATOM 0 HD2 ARG B 10 25.451 -10.959 8.373 1.00 0.00 H new ATOM 0 HD3 ARG B 10 26.544 -11.802 7.293 1.00 0.00 H new ATOM 0 HE ARG B 10 27.766 -9.317 8.352 1.00 0.00 H new ATOM 0 HH11 ARG B 10 26.468 -11.957 10.008 1.00 0.00 H new ATOM 0 HH12 ARG B 10 27.995 -12.502 10.711 1.00 0.00 H new ATOM 0 HH21 ARG B 10 29.941 -10.326 8.785 1.00 0.00 H new ATOM 0 HH22 ARG B 10 29.945 -11.585 10.024 1.00 0.00 H new ATOM 740 N GLY B 11 22.884 -7.709 6.102 1.00 0.00 N ATOM 741 CA GLY B 11 21.981 -7.198 7.172 1.00 0.00 C ATOM 742 C GLY B 11 21.428 -5.831 6.765 1.00 0.00 C ATOM 743 O GLY B 11 22.018 -5.122 5.974 1.00 0.00 O ATOM 0 H GLY B 11 23.153 -7.023 5.397 1.00 0.00 H new ATOM 0 HA2 GLY B 11 21.162 -7.899 7.337 1.00 0.00 H new ATOM 0 HA3 GLY B 11 22.525 -7.116 8.113 1.00 0.00 H new ATOM 747 N ARG B 12 20.298 -5.455 7.299 1.00 0.00 N ATOM 748 CA ARG B 12 19.708 -4.132 6.943 1.00 0.00 C ATOM 749 C ARG B 12 20.269 -3.040 7.858 1.00 0.00 C ATOM 750 O ARG B 12 20.337 -1.884 7.490 1.00 0.00 O ATOM 751 CB ARG B 12 18.204 -4.297 7.164 1.00 0.00 C ATOM 752 CG ARG B 12 17.444 -3.384 6.199 1.00 0.00 C ATOM 753 CD ARG B 12 16.015 -3.904 6.024 1.00 0.00 C ATOM 754 NE ARG B 12 15.173 -2.681 5.908 1.00 0.00 N ATOM 755 CZ ARG B 12 14.119 -2.685 5.140 1.00 0.00 C ATOM 756 NH1 ARG B 12 14.239 -2.952 3.868 1.00 0.00 N ATOM 757 NH2 ARG B 12 12.944 -2.423 5.643 1.00 0.00 N ATOM 0 H ARG B 12 19.758 -6.006 7.966 1.00 0.00 H new ATOM 0 HA ARG B 12 19.939 -3.838 5.919 1.00 0.00 H new ATOM 0 HB2 ARG B 12 17.914 -5.335 7.004 1.00 0.00 H new ATOM 0 HB3 ARG B 12 17.948 -4.049 8.194 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.427 -2.364 6.584 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.952 -3.353 5.235 1.00 0.00 H new ATOM 0 HD2 ARG B 12 15.928 -4.529 5.135 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.710 -4.514 6.874 1.00 0.00 H new ATOM 0 HE ARG B 12 15.421 -1.840 6.429 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.157 -3.158 3.474 1.00 0.00 H new ATOM 0 HH12 ARG B 12 13.414 -2.955 3.268 1.00 0.00 H new ATOM 0 HH21 ARG B 12 12.850 -2.215 6.637 1.00 0.00 H new ATOM 0 HH22 ARG B 12 12.120 -2.426 5.042 1.00 0.00 H new ATOM 771 N GLU B 13 20.670 -3.396 9.047 1.00 0.00 N ATOM 772 CA GLU B 13 21.226 -2.376 9.982 1.00 0.00 C ATOM 773 C GLU B 13 22.474 -1.732 9.375 1.00 0.00 C ATOM 774 O GLU B 13 22.661 -0.533 9.446 1.00 0.00 O ATOM 775 CB GLU B 13 21.582 -3.151 11.251 1.00 0.00 C ATOM 776 CG GLU B 13 20.379 -3.160 12.197 1.00 0.00 C ATOM 777 CD GLU B 13 20.588 -2.121 13.300 1.00 0.00 C ATOM 778 OE1 GLU B 13 21.241 -1.125 13.033 1.00 0.00 O ATOM 779 OE2 GLU B 13 20.091 -2.338 14.393 1.00 0.00 O ATOM 0 H GLU B 13 20.637 -4.348 9.412 1.00 0.00 H new ATOM 0 HA GLU B 13 20.520 -1.571 10.185 1.00 0.00 H new ATOM 0 HB2 GLU B 13 21.867 -4.172 10.998 1.00 0.00 H new ATOM 0 HB3 GLU B 13 22.441 -2.692 11.741 1.00 0.00 H new ATOM 0 HG2 GLU B 13 19.466 -2.939 11.643 1.00 0.00 H new ATOM 0 HG3 GLU B 13 20.255 -4.150 12.635 1.00 0.00 H new ATOM 786 N ARG B 14 23.328 -2.516 8.775 1.00 0.00 N ATOM 787 CA ARG B 14 24.558 -1.941 8.160 1.00 0.00 C ATOM 788 C ARG B 14 24.233 -1.379 6.776 1.00 0.00 C ATOM 789 O ARG B 14 24.688 -0.314 6.406 1.00 0.00 O ATOM 790 CB ARG B 14 25.537 -3.109 8.051 1.00 0.00 C ATOM 791 CG ARG B 14 26.892 -2.690 8.625 1.00 0.00 C ATOM 792 CD ARG B 14 26.700 -2.167 10.050 1.00 0.00 C ATOM 793 NE ARG B 14 27.289 -0.799 10.043 1.00 0.00 N ATOM 794 CZ ARG B 14 27.355 -0.111 11.151 1.00 0.00 C ATOM 795 NH1 ARG B 14 26.289 0.480 11.617 1.00 0.00 N ATOM 796 NH2 ARG B 14 28.488 -0.014 11.792 1.00 0.00 N ATOM 0 H ARG B 14 23.228 -3.527 8.684 1.00 0.00 H new ATOM 0 HA ARG B 14 24.973 -1.123 8.749 1.00 0.00 H new ATOM 0 HB2 ARG B 14 25.152 -3.973 8.592 1.00 0.00 H new ATOM 0 HB3 ARG B 14 25.648 -3.409 7.009 1.00 0.00 H new ATOM 0 HG2 ARG B 14 27.577 -3.538 8.626 1.00 0.00 H new ATOM 0 HG3 ARG B 14 27.341 -1.918 8.000 1.00 0.00 H new ATOM 0 HD2 ARG B 14 25.645 -2.141 10.322 1.00 0.00 H new ATOM 0 HD3 ARG B 14 27.200 -2.808 10.776 1.00 0.00 H new ATOM 0 HE ARG B 14 27.641 -0.400 9.173 1.00 0.00 H new ATOM 0 HH11 ARG B 14 25.404 0.405 11.116 1.00 0.00 H new ATOM 0 HH12 ARG B 14 26.341 1.017 12.482 1.00 0.00 H new ATOM 0 HH21 ARG B 14 29.321 -0.475 11.427 1.00 0.00 H new ATOM 0 HH22 ARG B 14 28.540 0.523 12.657 1.00 0.00 H new ATOM 810 N PHE B 15 23.444 -2.080 6.007 1.00 0.00 N ATOM 811 CA PHE B 15 23.091 -1.570 4.653 1.00 0.00 C ATOM 812 C PHE B 15 22.651 -0.110 4.757 1.00 0.00 C ATOM 813 O PHE B 15 23.076 0.733 3.992 1.00 0.00 O ATOM 814 CB PHE B 15 21.936 -2.449 4.176 1.00 0.00 C ATOM 815 CG PHE B 15 21.691 -2.196 2.708 1.00 0.00 C ATOM 816 CD1 PHE B 15 22.573 -2.713 1.751 1.00 0.00 C ATOM 817 CD2 PHE B 15 20.585 -1.439 2.302 1.00 0.00 C ATOM 818 CE1 PHE B 15 22.349 -2.475 0.390 1.00 0.00 C ATOM 819 CE2 PHE B 15 20.360 -1.201 0.941 1.00 0.00 C ATOM 820 CZ PHE B 15 21.242 -1.719 -0.015 1.00 0.00 C ATOM 0 H PHE B 15 23.031 -2.979 6.257 1.00 0.00 H new ATOM 0 HA PHE B 15 23.932 -1.609 3.960 1.00 0.00 H new ATOM 0 HB2 PHE B 15 22.171 -3.500 4.341 1.00 0.00 H new ATOM 0 HB3 PHE B 15 21.036 -2.230 4.750 1.00 0.00 H new ATOM 0 HD1 PHE B 15 23.427 -3.296 2.063 1.00 0.00 H new ATOM 0 HD2 PHE B 15 19.905 -1.039 3.039 1.00 0.00 H new ATOM 0 HE1 PHE B 15 23.030 -2.874 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE B 15 19.506 -0.618 0.629 1.00 0.00 H new ATOM 0 HZ PHE B 15 21.069 -1.535 -1.065 1.00 0.00 H new ATOM 830 N GLU B 16 21.808 0.199 5.705 1.00 0.00 N ATOM 831 CA GLU B 16 21.355 1.609 5.861 1.00 0.00 C ATOM 832 C GLU B 16 22.561 2.544 5.752 1.00 0.00 C ATOM 833 O GLU B 16 22.467 3.639 5.235 1.00 0.00 O ATOM 834 CB GLU B 16 20.740 1.680 7.259 1.00 0.00 C ATOM 835 CG GLU B 16 19.298 1.172 7.210 1.00 0.00 C ATOM 836 CD GLU B 16 18.335 2.353 7.354 1.00 0.00 C ATOM 837 OE1 GLU B 16 18.790 3.479 7.243 1.00 0.00 O ATOM 838 OE2 GLU B 16 17.160 2.110 7.574 1.00 0.00 O ATOM 0 H GLU B 16 21.415 -0.462 6.375 1.00 0.00 H new ATOM 0 HA GLU B 16 20.639 1.909 5.095 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.325 1.079 7.956 1.00 0.00 H new ATOM 0 HB3 GLU B 16 20.763 2.706 7.626 1.00 0.00 H new ATOM 0 HG2 GLU B 16 19.116 0.653 6.269 1.00 0.00 H new ATOM 0 HG3 GLU B 16 19.128 0.451 8.009 1.00 0.00 H new ATOM 845 N GLN B 17 23.697 2.110 6.228 1.00 0.00 N ATOM 846 CA GLN B 17 24.915 2.964 6.144 1.00 0.00 C ATOM 847 C GLN B 17 25.414 3.008 4.698 1.00 0.00 C ATOM 848 O GLN B 17 25.735 4.054 4.171 1.00 0.00 O ATOM 849 CB GLN B 17 25.945 2.283 7.046 1.00 0.00 C ATOM 850 CG GLN B 17 25.480 2.353 8.501 1.00 0.00 C ATOM 851 CD GLN B 17 26.304 3.401 9.250 1.00 0.00 C ATOM 852 OE1 GLN B 17 27.294 3.078 9.877 1.00 0.00 O ATOM 853 NE2 GLN B 17 25.936 4.653 9.211 1.00 0.00 N ATOM 0 H GLN B 17 23.833 1.201 6.671 1.00 0.00 H new ATOM 0 HA GLN B 17 24.726 3.992 6.454 1.00 0.00 H new ATOM 0 HB2 GLN B 17 26.076 1.244 6.745 1.00 0.00 H new ATOM 0 HB3 GLN B 17 26.914 2.770 6.940 1.00 0.00 H new ATOM 0 HG2 GLN B 17 24.421 2.609 8.544 1.00 0.00 H new ATOM 0 HG3 GLN B 17 25.592 1.379 8.977 1.00 0.00 H new ATOM 0 HE21 GLN B 17 25.105 4.924 8.685 1.00 0.00 H new ATOM 0 HE22 GLN B 17 26.479 5.360 9.707 1.00 0.00 H new ATOM 862 N PHE B 18 25.474 1.875 4.050 1.00 0.00 N ATOM 863 CA PHE B 18 25.943 1.848 2.636 1.00 0.00 C ATOM 864 C PHE B 18 24.937 2.574 1.741 1.00 0.00 C ATOM 865 O PHE B 18 25.266 3.534 1.072 1.00 0.00 O ATOM 866 CB PHE B 18 26.020 0.366 2.271 1.00 0.00 C ATOM 867 CG PHE B 18 27.123 -0.289 3.065 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.425 -0.329 2.552 1.00 0.00 C ATOM 869 CD2 PHE B 18 26.846 -0.854 4.316 1.00 0.00 C ATOM 870 CE1 PHE B 18 29.450 -0.933 3.289 1.00 0.00 C ATOM 871 CE2 PHE B 18 27.871 -1.458 5.053 1.00 0.00 C ATOM 872 CZ PHE B 18 29.172 -1.497 4.540 1.00 0.00 C ATOM 0 H PHE B 18 25.218 0.968 4.440 1.00 0.00 H new ATOM 0 HA PHE B 18 26.904 2.345 2.506 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.068 -0.121 2.480 1.00 0.00 H new ATOM 0 HB3 PHE B 18 26.209 0.252 1.203 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.639 0.106 1.587 1.00 0.00 H new ATOM 0 HD2 PHE B 18 25.842 -0.824 4.712 1.00 0.00 H new ATOM 0 HE1 PHE B 18 30.454 -0.964 2.893 1.00 0.00 H new ATOM 0 HE2 PHE B 18 27.658 -1.894 6.018 1.00 0.00 H new ATOM 0 HZ PHE B 18 29.963 -1.963 5.110 1.00 0.00 H new ATOM 882 N ARG B 19 23.711 2.127 1.728 1.00 0.00 N ATOM 883 CA ARG B 19 22.685 2.799 0.881 1.00 0.00 C ATOM 884 C ARG B 19 22.775 4.315 1.064 1.00 0.00 C ATOM 885 O ARG B 19 22.800 5.066 0.108 1.00 0.00 O ATOM 886 CB ARG B 19 21.342 2.274 1.390 1.00 0.00 C ATOM 887 CG ARG B 19 20.224 2.743 0.457 1.00 0.00 C ATOM 888 CD ARG B 19 20.059 1.741 -0.687 1.00 0.00 C ATOM 889 NE ARG B 19 20.240 2.544 -1.929 1.00 0.00 N ATOM 890 CZ ARG B 19 19.794 2.091 -3.069 1.00 0.00 C ATOM 891 NH1 ARG B 19 18.509 2.016 -3.283 1.00 0.00 N ATOM 892 NH2 ARG B 19 20.633 1.715 -3.995 1.00 0.00 N ATOM 0 H ARG B 19 23.376 1.328 2.266 1.00 0.00 H new ATOM 0 HA ARG B 19 22.821 2.594 -0.181 1.00 0.00 H new ATOM 0 HB2 ARG B 19 21.359 1.185 1.436 1.00 0.00 H new ATOM 0 HB3 ARG B 19 21.159 2.633 2.403 1.00 0.00 H new ATOM 0 HG2 ARG B 19 19.290 2.836 1.010 1.00 0.00 H new ATOM 0 HG3 ARG B 19 20.459 3.730 0.059 1.00 0.00 H new ATOM 0 HD2 ARG B 19 20.798 0.942 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG B 19 19.076 1.270 -0.661 1.00 0.00 H new ATOM 0 HE ARG B 19 20.712 3.447 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG B 19 17.853 2.311 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG B 19 18.160 1.662 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG B 19 21.637 1.775 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG B 19 20.284 1.361 -4.886 1.00 0.00 H new ATOM 906 N GLU B 20 22.830 4.771 2.286 1.00 0.00 N ATOM 907 CA GLU B 20 22.925 6.237 2.531 1.00 0.00 C ATOM 908 C GLU B 20 24.066 6.830 1.701 1.00 0.00 C ATOM 909 O GLU B 20 23.892 7.802 0.993 1.00 0.00 O ATOM 910 CB GLU B 20 23.221 6.372 4.025 1.00 0.00 C ATOM 911 CG GLU B 20 23.223 7.851 4.414 1.00 0.00 C ATOM 912 CD GLU B 20 22.554 8.021 5.779 1.00 0.00 C ATOM 913 OE1 GLU B 20 21.647 7.260 6.072 1.00 0.00 O ATOM 914 OE2 GLU B 20 22.960 8.910 6.509 1.00 0.00 O ATOM 0 H GLU B 20 22.813 4.191 3.125 1.00 0.00 H new ATOM 0 HA GLU B 20 22.014 6.766 2.250 1.00 0.00 H new ATOM 0 HB2 GLU B 20 22.471 5.834 4.605 1.00 0.00 H new ATOM 0 HB3 GLU B 20 24.187 5.923 4.257 1.00 0.00 H new ATOM 0 HG2 GLU B 20 24.245 8.227 4.449 1.00 0.00 H new ATOM 0 HG3 GLU B 20 22.693 8.436 3.662 1.00 0.00 H new ATOM 921 N ARG B 21 25.232 6.248 1.778 1.00 0.00 N ATOM 922 CA ARG B 21 26.379 6.776 0.987 1.00 0.00 C ATOM 923 C ARG B 21 26.041 6.739 -0.505 1.00 0.00 C ATOM 924 O ARG B 21 26.303 7.674 -1.235 1.00 0.00 O ATOM 925 CB ARG B 21 27.545 5.838 1.299 1.00 0.00 C ATOM 926 CG ARG B 21 28.106 6.166 2.684 1.00 0.00 C ATOM 927 CD ARG B 21 29.511 6.755 2.539 1.00 0.00 C ATOM 928 NE ARG B 21 29.317 8.231 2.601 1.00 0.00 N ATOM 929 CZ ARG B 21 29.228 8.829 3.758 1.00 0.00 C ATOM 930 NH1 ARG B 21 30.188 8.703 4.633 1.00 0.00 N ATOM 931 NH2 ARG B 21 28.180 9.553 4.039 1.00 0.00 N ATOM 0 H ARG B 21 25.439 5.432 2.353 1.00 0.00 H new ATOM 0 HA ARG B 21 26.617 7.810 1.237 1.00 0.00 H new ATOM 0 HB2 ARG B 21 27.210 4.801 1.266 1.00 0.00 H new ATOM 0 HB3 ARG B 21 28.324 5.945 0.544 1.00 0.00 H new ATOM 0 HG2 ARG B 21 27.454 6.875 3.194 1.00 0.00 H new ATOM 0 HG3 ARG B 21 28.139 5.266 3.297 1.00 0.00 H new ATOM 0 HD2 ARG B 21 30.168 6.409 3.337 1.00 0.00 H new ATOM 0 HD3 ARG B 21 29.969 6.456 1.596 1.00 0.00 H new ATOM 0 HE ARG B 21 29.254 8.774 1.740 1.00 0.00 H new ATOM 0 HH11 ARG B 21 31.008 8.137 4.413 1.00 0.00 H new ATOM 0 HH12 ARG B 21 30.119 9.170 5.537 1.00 0.00 H new ATOM 0 HH21 ARG B 21 27.430 9.652 3.355 1.00 0.00 H new ATOM 0 HH22 ARG B 21 28.110 10.020 4.943 1.00 0.00 H new ATOM 945 N ASN B 22 25.453 5.666 -0.962 1.00 0.00 N ATOM 946 CA ASN B 22 25.092 5.577 -2.405 1.00 0.00 C ATOM 947 C ASN B 22 24.456 6.893 -2.857 1.00 0.00 C ATOM 948 O ASN B 22 24.861 7.487 -3.836 1.00 0.00 O ATOM 949 CB ASN B 22 24.083 4.432 -2.494 1.00 0.00 C ATOM 950 CG ASN B 22 23.696 4.206 -3.956 1.00 0.00 C ATOM 951 OD1 ASN B 22 22.548 3.950 -4.261 1.00 0.00 O ATOM 952 ND2 ASN B 22 24.612 4.290 -4.882 1.00 0.00 N ATOM 0 H ASN B 22 25.208 4.851 -0.400 1.00 0.00 H new ATOM 0 HA ASN B 22 25.958 5.400 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN B 22 24.512 3.522 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN B 22 23.197 4.667 -1.904 1.00 0.00 H new ATOM 0 HD21 ASN B 22 24.364 4.141 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN B 22 25.576 4.505 -4.628 1.00 0.00 H new ATOM 959 N GLU B 23 23.469 7.358 -2.141 1.00 0.00 N ATOM 960 CA GLU B 23 22.816 8.642 -2.521 1.00 0.00 C ATOM 961 C GLU B 23 23.849 9.770 -2.483 1.00 0.00 C ATOM 962 O GLU B 23 23.938 10.576 -3.389 1.00 0.00 O ATOM 963 CB GLU B 23 21.733 8.866 -1.466 1.00 0.00 C ATOM 964 CG GLU B 23 20.648 9.783 -2.034 1.00 0.00 C ATOM 965 CD GLU B 23 19.360 9.610 -1.228 1.00 0.00 C ATOM 966 OE1 GLU B 23 19.438 9.637 -0.010 1.00 0.00 O ATOM 967 OE2 GLU B 23 18.317 9.454 -1.841 1.00 0.00 O ATOM 0 H GLU B 23 23.087 6.905 -1.311 1.00 0.00 H new ATOM 0 HA GLU B 23 22.396 8.619 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU B 23 21.298 7.912 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU B 23 22.169 9.311 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.977 10.821 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.468 9.545 -3.082 1.00 0.00 H new ATOM 974 N ALA B 24 24.639 9.824 -1.445 1.00 0.00 N ATOM 975 CA ALA B 24 25.675 10.890 -1.353 1.00 0.00 C ATOM 976 C ALA B 24 26.639 10.770 -2.535 1.00 0.00 C ATOM 977 O ALA B 24 27.036 11.752 -3.129 1.00 0.00 O ATOM 978 CB ALA B 24 26.403 10.626 -0.035 1.00 0.00 C ATOM 0 H ALA B 24 24.611 9.176 -0.658 1.00 0.00 H new ATOM 0 HA ALA B 24 25.249 11.893 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA B 24 27.184 11.373 0.105 1.00 0.00 H new ATOM 0 HB2 ALA B 24 25.694 10.684 0.790 1.00 0.00 H new ATOM 0 HB3 ALA B 24 26.851 9.633 -0.059 1.00 0.00 H new ATOM 984 N LEU B 25 27.009 9.568 -2.887 1.00 0.00 N ATOM 985 CA LEU B 25 27.936 9.383 -4.038 1.00 0.00 C ATOM 986 C LEU B 25 27.417 10.170 -5.242 1.00 0.00 C ATOM 987 O LEU B 25 28.094 11.025 -5.778 1.00 0.00 O ATOM 988 CB LEU B 25 27.919 7.882 -4.328 1.00 0.00 C ATOM 989 CG LEU B 25 28.589 7.615 -5.677 1.00 0.00 C ATOM 990 CD1 LEU B 25 29.369 6.301 -5.609 1.00 0.00 C ATOM 991 CD2 LEU B 25 27.518 7.518 -6.766 1.00 0.00 C ATOM 0 H LEU B 25 26.709 8.708 -2.427 1.00 0.00 H new ATOM 0 HA LEU B 25 28.944 9.738 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU B 25 28.441 7.342 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU B 25 26.893 7.515 -4.341 1.00 0.00 H new ATOM 0 HG LEU B 25 29.273 8.430 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU B 25 29.846 6.111 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU B 25 30.131 6.370 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU B 25 28.686 5.484 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU B 25 27.994 7.328 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU B 25 26.834 6.702 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU B 25 26.963 8.455 -6.815 1.00 0.00 H new ATOM 1003 N GLU B 26 26.212 9.895 -5.662 1.00 0.00 N ATOM 1004 CA GLU B 26 25.643 10.636 -6.822 1.00 0.00 C ATOM 1005 C GLU B 26 25.870 12.136 -6.629 1.00 0.00 C ATOM 1006 O GLU B 26 26.329 12.827 -7.517 1.00 0.00 O ATOM 1007 CB GLU B 26 24.149 10.311 -6.805 1.00 0.00 C ATOM 1008 CG GLU B 26 23.597 10.365 -8.230 1.00 0.00 C ATOM 1009 CD GLU B 26 22.298 9.560 -8.305 1.00 0.00 C ATOM 1010 OE1 GLU B 26 21.867 9.071 -7.274 1.00 0.00 O ATOM 1011 OE2 GLU B 26 21.756 9.446 -9.393 1.00 0.00 O ATOM 0 H GLU B 26 25.599 9.191 -5.252 1.00 0.00 H new ATOM 0 HA GLU B 26 26.105 10.356 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU B 26 23.987 9.321 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU B 26 23.619 11.022 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU B 26 23.414 11.399 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU B 26 24.328 9.961 -8.930 1.00 0.00 H new ATOM 1018 N LEU B 27 25.560 12.640 -5.466 1.00 0.00 N ATOM 1019 CA LEU B 27 25.763 14.092 -5.202 1.00 0.00 C ATOM 1020 C LEU B 27 27.259 14.394 -5.088 1.00 0.00 C ATOM 1021 O LEU B 27 27.706 15.489 -5.368 1.00 0.00 O ATOM 1022 CB LEU B 27 25.059 14.355 -3.870 1.00 0.00 C ATOM 1023 CG LEU B 27 24.217 15.626 -3.979 1.00 0.00 C ATOM 1024 CD1 LEU B 27 25.112 16.797 -4.387 1.00 0.00 C ATOM 1025 CD2 LEU B 27 23.127 15.427 -5.034 1.00 0.00 C ATOM 0 H LEU B 27 25.174 12.108 -4.686 1.00 0.00 H new ATOM 0 HA LEU B 27 25.367 14.721 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU B 27 24.425 13.508 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU B 27 25.795 14.461 -3.073 1.00 0.00 H new ATOM 0 HG LEU B 27 23.755 15.839 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU B 27 24.512 17.704 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU B 27 25.889 16.940 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU B 27 25.574 16.583 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU B 27 22.526 16.333 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU B 27 23.588 15.213 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU B 27 22.489 14.592 -4.745 1.00 0.00 H new ATOM 1037 N LYS B 28 28.037 13.428 -4.681 1.00 0.00 N ATOM 1038 CA LYS B 28 29.505 13.653 -4.551 1.00 0.00 C ATOM 1039 C LYS B 28 30.172 13.558 -5.925 1.00 0.00 C ATOM 1040 O LYS B 28 31.031 14.347 -6.265 1.00 0.00 O ATOM 1041 CB LYS B 28 29.998 12.534 -3.627 1.00 0.00 C ATOM 1042 CG LYS B 28 31.531 12.468 -3.650 1.00 0.00 C ATOM 1043 CD LYS B 28 32.115 13.883 -3.602 1.00 0.00 C ATOM 1044 CE LYS B 28 33.417 13.872 -2.797 1.00 0.00 C ATOM 1045 NZ LYS B 28 34.495 13.721 -3.814 1.00 0.00 N ATOM 0 H LYS B 28 27.719 12.491 -4.433 1.00 0.00 H new ATOM 0 HA LYS B 28 29.742 14.639 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS B 28 29.649 12.712 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS B 28 29.580 11.579 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS B 28 31.891 11.888 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS B 28 31.868 11.957 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS B 28 32.303 14.244 -4.613 1.00 0.00 H new ATOM 0 HD3 LYS B 28 31.399 14.568 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS B 28 33.537 14.794 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS B 28 33.432 13.051 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 35.420 13.705 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 34.358 12.832 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 34.460 14.521 -4.478 1.00 0.00 H new ATOM 1059 N ASP B 29 29.780 12.601 -6.721 1.00 0.00 N ATOM 1060 CA ASP B 29 30.390 12.463 -8.074 1.00 0.00 C ATOM 1061 C ASP B 29 30.169 13.745 -8.881 1.00 0.00 C ATOM 1062 O ASP B 29 31.074 14.261 -9.506 1.00 0.00 O ATOM 1063 CB ASP B 29 29.660 11.286 -8.721 1.00 0.00 C ATOM 1064 CG ASP B 29 30.391 9.986 -8.384 1.00 0.00 C ATOM 1065 OD1 ASP B 29 31.575 9.904 -8.667 1.00 0.00 O ATOM 1066 OD2 ASP B 29 29.755 9.094 -7.847 1.00 0.00 O ATOM 0 H ASP B 29 29.065 11.910 -6.494 1.00 0.00 H new ATOM 0 HA ASP B 29 31.466 12.296 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP B 29 28.631 11.241 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP B 29 29.616 11.421 -9.802 1.00 0.00 H new ATOM 1071 N ALA B 30 28.972 14.266 -8.869 1.00 0.00 N ATOM 1072 CA ALA B 30 28.697 15.517 -9.632 1.00 0.00 C ATOM 1073 C ALA B 30 29.780 16.557 -9.340 1.00 0.00 C ATOM 1074 O ALA B 30 30.121 17.368 -10.178 1.00 0.00 O ATOM 1075 CB ALA B 30 27.338 15.999 -9.122 1.00 0.00 C ATOM 0 H ALA B 30 28.174 13.880 -8.365 1.00 0.00 H new ATOM 0 HA ALA B 30 28.693 15.355 -10.710 1.00 0.00 H new ATOM 0 HB1 ALA B 30 27.062 16.920 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA B 30 26.585 15.235 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA B 30 27.397 16.186 -8.050 1.00 0.00 H new ATOM 1081 N GLN B 31 30.326 16.538 -8.154 1.00 0.00 N ATOM 1082 CA GLN B 31 31.389 17.523 -7.804 1.00 0.00 C ATOM 1083 C GLN B 31 32.732 16.808 -7.633 1.00 0.00 C ATOM 1084 O GLN B 31 32.814 15.756 -7.032 1.00 0.00 O ATOM 1085 CB GLN B 31 30.935 18.139 -6.480 1.00 0.00 C ATOM 1086 CG GLN B 31 30.142 19.418 -6.755 1.00 0.00 C ATOM 1087 CD GLN B 31 29.545 19.939 -5.447 1.00 0.00 C ATOM 1088 OE1 GLN B 31 28.342 19.965 -5.283 1.00 0.00 O ATOM 1089 NE2 GLN B 31 30.341 20.359 -4.502 1.00 0.00 N ATOM 0 H GLN B 31 30.081 15.882 -7.412 1.00 0.00 H new ATOM 0 HA GLN B 31 31.527 18.278 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN B 31 30.319 17.428 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN B 31 31.800 18.362 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN B 31 30.792 20.173 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN B 31 29.349 19.219 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN B 31 31.351 20.337 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN B 31 29.953 20.709 -3.626 1.00 0.00 H new