USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=6 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 -10:sc= 0.27 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.9!) USER MOD Single : A 22 ASN : amide:sc= -0.62 K(o=-0.62,f=-5.3!) USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= -0.237 (180deg=-1.7!) 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 -11:sc= 0.176 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : B 22 ASN : amide:sc= -0.36 K(o=-0.36,f=-4.4!) USER MOD Single : B 28 LYS NZ :NH3+ 140:sc= -0.213 (180deg=-1.76!) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 40.593 7.414 -4.559 1.00 0.00 N ATOM 38 CA TYR A 4 39.491 6.922 -3.684 1.00 0.00 C ATOM 39 C TYR A 4 38.335 6.390 -4.536 1.00 0.00 C ATOM 40 O TYR A 4 38.277 6.613 -5.729 1.00 0.00 O ATOM 41 CB TYR A 4 39.049 8.145 -2.876 1.00 0.00 C ATOM 42 CG TYR A 4 38.238 9.070 -3.753 1.00 0.00 C ATOM 43 CD1 TYR A 4 38.884 9.982 -4.596 1.00 0.00 C ATOM 44 CD2 TYR A 4 36.839 9.013 -3.725 1.00 0.00 C ATOM 45 CE1 TYR A 4 38.131 10.838 -5.409 1.00 0.00 C ATOM 46 CE2 TYR A 4 36.087 9.869 -4.538 1.00 0.00 C ATOM 47 CZ TYR A 4 36.733 10.781 -5.380 1.00 0.00 C ATOM 48 OH TYR A 4 35.991 11.624 -6.183 1.00 0.00 O ATOM 0 HA TYR A 4 39.810 6.103 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 4 38.456 7.830 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 4 39.921 8.670 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 4 39.963 10.025 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 4 36.340 8.308 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 4 38.629 11.542 -6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.008 9.826 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 4 35.036 11.454 -6.042 1.00 0.00 H new ATOM 58 N PHE A 5 37.414 5.691 -3.933 1.00 0.00 N ATOM 59 CA PHE A 5 36.262 5.149 -4.708 1.00 0.00 C ATOM 60 C PHE A 5 34.952 5.729 -4.171 1.00 0.00 C ATOM 61 O PHE A 5 34.928 6.400 -3.158 1.00 0.00 O ATOM 62 CB PHE A 5 36.311 3.637 -4.488 1.00 0.00 C ATOM 63 CG PHE A 5 37.355 3.031 -5.395 1.00 0.00 C ATOM 64 CD1 PHE A 5 38.710 3.107 -5.051 1.00 0.00 C ATOM 65 CD2 PHE A 5 36.968 2.395 -6.580 1.00 0.00 C ATOM 66 CE1 PHE A 5 39.678 2.546 -5.893 1.00 0.00 C ATOM 67 CE2 PHE A 5 37.936 1.834 -7.422 1.00 0.00 C ATOM 68 CZ PHE A 5 39.291 1.909 -7.078 1.00 0.00 C ATOM 0 H PHE A 5 37.409 5.471 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 5 36.315 5.406 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 5 36.547 3.418 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 5 35.335 3.197 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 5 39.009 3.598 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 5 35.923 2.337 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 5 40.723 2.605 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 5 37.637 1.344 -8.337 1.00 0.00 H new ATOM 0 HZ PHE A 5 40.038 1.475 -7.727 1.00 0.00 H new ATOM 78 N THR A 6 33.861 5.481 -4.842 1.00 0.00 N ATOM 79 CA THR A 6 32.557 6.024 -4.366 1.00 0.00 C ATOM 80 C THR A 6 31.397 5.217 -4.953 1.00 0.00 C ATOM 81 O THR A 6 31.555 4.492 -5.915 1.00 0.00 O ATOM 82 CB THR A 6 32.521 7.465 -4.877 1.00 0.00 C ATOM 83 OG1 THR A 6 33.531 8.221 -4.224 1.00 0.00 O ATOM 84 CG2 THR A 6 31.151 8.079 -4.586 1.00 0.00 C ATOM 0 H THR A 6 33.816 4.927 -5.697 1.00 0.00 H new ATOM 0 HA THR A 6 32.460 5.971 -3.282 1.00 0.00 H new ATOM 0 HB THR A 6 32.697 7.474 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 6 33.912 7.694 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 6 31.128 9.106 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 6 30.378 7.498 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 6 30.970 8.072 -3.511 1.00 0.00 H new ATOM 92 N LEU A 7 30.231 5.338 -4.381 1.00 0.00 N ATOM 93 CA LEU A 7 29.059 4.581 -4.904 1.00 0.00 C ATOM 94 C LEU A 7 27.774 5.385 -4.690 1.00 0.00 C ATOM 95 O LEU A 7 27.746 6.339 -3.938 1.00 0.00 O ATOM 96 CB LEU A 7 29.025 3.288 -4.087 1.00 0.00 C ATOM 97 CG LEU A 7 29.541 2.130 -4.942 1.00 0.00 C ATOM 98 CD1 LEU A 7 29.936 0.963 -4.037 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.439 1.678 -5.903 1.00 0.00 C ATOM 0 H LEU A 7 30.039 5.930 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 7 29.137 4.385 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 7 29.638 3.395 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 7 28.008 3.083 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 7 30.411 2.458 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 7 30.304 0.138 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 7 30.719 1.284 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 7 29.067 0.634 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.805 0.852 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 7 27.570 1.350 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.156 2.509 -6.549 1.00 0.00 H new ATOM 111 N GLN A 8 26.711 5.009 -5.346 1.00 0.00 N ATOM 112 CA GLN A 8 25.430 5.753 -5.178 1.00 0.00 C ATOM 113 C GLN A 8 24.305 4.784 -4.803 1.00 0.00 C ATOM 114 O GLN A 8 24.108 3.769 -5.441 1.00 0.00 O ATOM 115 CB GLN A 8 25.160 6.390 -6.542 1.00 0.00 C ATOM 116 CG GLN A 8 26.410 7.136 -7.013 1.00 0.00 C ATOM 117 CD GLN A 8 26.008 8.238 -7.995 1.00 0.00 C ATOM 118 OE1 GLN A 8 25.811 7.982 -9.167 1.00 0.00 O ATOM 119 NE2 GLN A 8 25.877 9.463 -7.565 1.00 0.00 N ATOM 0 H GLN A 8 26.674 4.219 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 8 25.484 6.499 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 8 24.887 5.622 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 8 24.317 7.078 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 8 26.932 7.568 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 8 27.101 6.442 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 8 26.042 9.679 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.610 10.205 -8.212 1.00 0.00 H new ATOM 128 N ILE A 9 23.566 5.089 -3.771 1.00 0.00 N ATOM 129 CA ILE A 9 22.457 4.182 -3.355 1.00 0.00 C ATOM 130 C ILE A 9 21.143 4.961 -3.257 1.00 0.00 C ATOM 131 O ILE A 9 21.125 6.131 -2.930 1.00 0.00 O ATOM 132 CB ILE A 9 22.874 3.651 -1.983 1.00 0.00 C ATOM 133 CG1 ILE A 9 23.952 2.579 -2.160 1.00 0.00 C ATOM 134 CG2 ILE A 9 21.662 3.040 -1.278 1.00 0.00 C ATOM 135 CD1 ILE A 9 24.697 2.380 -0.839 1.00 0.00 C ATOM 0 H ILE A 9 23.681 5.925 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 9 22.292 3.376 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 9 23.267 4.471 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.498 1.641 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 9 24.650 2.876 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.962 2.662 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.892 3.801 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.267 2.220 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 9 25.465 1.616 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 9 25.164 3.318 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.994 2.063 -0.069 1.00 0.00 H new ATOM 147 N ARG A 10 20.042 4.319 -3.537 1.00 0.00 N ATOM 148 CA ARG A 10 18.728 5.021 -3.459 1.00 0.00 C ATOM 149 C ARG A 10 17.835 4.355 -2.410 1.00 0.00 C ATOM 150 O ARG A 10 17.202 3.350 -2.667 1.00 0.00 O ATOM 151 CB ARG A 10 18.118 4.876 -4.853 1.00 0.00 C ATOM 152 CG ARG A 10 16.855 5.734 -4.949 1.00 0.00 C ATOM 153 CD ARG A 10 16.013 5.273 -6.140 1.00 0.00 C ATOM 154 NE ARG A 10 16.410 6.171 -7.260 1.00 0.00 N ATOM 155 CZ ARG A 10 16.625 5.677 -8.448 1.00 0.00 C ATOM 156 NH1 ARG A 10 15.628 5.221 -9.156 1.00 0.00 N ATOM 157 NH2 ARG A 10 17.837 5.639 -8.930 1.00 0.00 N ATOM 0 H ARG A 10 19.995 3.339 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 10 18.834 6.066 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.838 5.184 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.877 3.831 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.277 5.653 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.124 6.784 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.210 4.229 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.947 5.355 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 10 16.514 7.173 -7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.680 5.251 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.797 4.835 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.617 5.996 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.005 5.253 -9.859 1.00 0.00 H new ATOM 171 N GLY A 11 17.780 4.906 -1.229 1.00 0.00 N ATOM 172 CA GLY A 11 16.929 4.304 -0.164 1.00 0.00 C ATOM 173 C GLY A 11 17.725 4.224 1.140 1.00 0.00 C ATOM 174 O GLY A 11 18.877 3.839 1.152 1.00 0.00 O ATOM 0 H GLY A 11 18.288 5.747 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.031 4.904 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.602 3.309 -0.464 1.00 0.00 H new ATOM 178 N ARG A 12 17.121 4.587 2.237 1.00 0.00 N ATOM 179 CA ARG A 12 17.846 4.534 3.539 1.00 0.00 C ATOM 180 C ARG A 12 17.795 3.117 4.117 1.00 0.00 C ATOM 181 O ARG A 12 18.604 2.745 4.943 1.00 0.00 O ATOM 182 CB ARG A 12 17.099 5.510 4.447 1.00 0.00 C ATOM 183 CG ARG A 12 18.088 6.173 5.407 1.00 0.00 C ATOM 184 CD ARG A 12 17.600 7.582 5.752 1.00 0.00 C ATOM 185 NE ARG A 12 17.570 7.623 7.240 1.00 0.00 N ATOM 186 CZ ARG A 12 16.504 7.228 7.882 1.00 0.00 C ATOM 187 NH1 ARG A 12 15.415 7.948 7.843 1.00 0.00 N ATOM 188 NH2 ARG A 12 16.526 6.114 8.561 1.00 0.00 N ATOM 0 H ARG A 12 16.158 4.918 2.289 1.00 0.00 H new ATOM 0 HA ARG A 12 18.899 4.796 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 12 16.595 6.268 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 12 16.328 4.983 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 12 18.184 5.578 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.077 6.221 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.270 8.342 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.613 7.772 5.331 1.00 0.00 H new ATOM 0 HE ARG A 12 18.382 7.960 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.398 8.818 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.582 7.640 8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.376 5.551 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.693 5.806 9.062 1.00 0.00 H new ATOM 202 N GLU A 13 16.851 2.324 3.690 1.00 0.00 N ATOM 203 CA GLU A 13 16.750 0.933 4.217 1.00 0.00 C ATOM 204 C GLU A 13 18.019 0.142 3.881 1.00 0.00 C ATOM 205 O GLU A 13 18.599 -0.508 4.728 1.00 0.00 O ATOM 206 CB GLU A 13 15.537 0.328 3.507 1.00 0.00 C ATOM 207 CG GLU A 13 14.261 1.017 3.996 1.00 0.00 C ATOM 208 CD GLU A 13 13.039 0.229 3.521 1.00 0.00 C ATOM 209 OE1 GLU A 13 13.168 -0.500 2.551 1.00 0.00 O ATOM 210 OE2 GLU A 13 11.994 0.367 4.136 1.00 0.00 O ATOM 0 H GLU A 13 16.145 2.579 2.999 1.00 0.00 H new ATOM 0 HA GLU A 13 16.642 0.911 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.637 0.448 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.483 -0.743 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.264 1.081 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.218 2.038 3.616 1.00 0.00 H new ATOM 217 N ARG A 14 18.457 0.198 2.653 1.00 0.00 N ATOM 218 CA ARG A 14 19.687 -0.541 2.261 1.00 0.00 C ATOM 219 C ARG A 14 20.920 0.288 2.615 1.00 0.00 C ATOM 220 O ARG A 14 21.916 -0.225 3.088 1.00 0.00 O ATOM 221 CB ARG A 14 19.574 -0.723 0.746 1.00 0.00 C ATOM 222 CG ARG A 14 19.705 0.637 0.057 1.00 0.00 C ATOM 223 CD ARG A 14 19.299 0.508 -1.413 1.00 0.00 C ATOM 224 NE ARG A 14 20.573 0.271 -2.145 1.00 0.00 N ATOM 225 CZ ARG A 14 20.566 0.149 -3.444 1.00 0.00 C ATOM 226 NH1 ARG A 14 19.796 0.915 -4.167 1.00 0.00 N ATOM 227 NH2 ARG A 14 21.328 -0.740 -4.021 1.00 0.00 N ATOM 0 H ARG A 14 18.013 0.727 1.902 1.00 0.00 H new ATOM 0 HA ARG A 14 19.784 -1.497 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.352 -1.399 0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.617 -1.179 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.073 1.371 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.731 0.996 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.601 -0.316 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.803 1.412 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 14 21.452 0.204 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.200 1.609 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.791 0.820 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.929 -1.340 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.322 -0.835 -5.037 1.00 0.00 H new ATOM 241 N PHE A 15 20.862 1.571 2.390 1.00 0.00 N ATOM 242 CA PHE A 15 22.033 2.423 2.718 1.00 0.00 C ATOM 243 C PHE A 15 22.482 2.152 4.153 1.00 0.00 C ATOM 244 O PHE A 15 23.645 1.915 4.417 1.00 0.00 O ATOM 245 CB PHE A 15 21.548 3.865 2.572 1.00 0.00 C ATOM 246 CG PHE A 15 22.666 4.798 2.965 1.00 0.00 C ATOM 247 CD1 PHE A 15 23.665 5.120 2.038 1.00 0.00 C ATOM 248 CD2 PHE A 15 22.711 5.333 4.257 1.00 0.00 C ATOM 249 CE1 PHE A 15 24.709 5.977 2.404 1.00 0.00 C ATOM 250 CE2 PHE A 15 23.757 6.188 4.624 1.00 0.00 C ATOM 251 CZ PHE A 15 24.755 6.510 3.698 1.00 0.00 C ATOM 0 H PHE A 15 20.059 2.062 1.996 1.00 0.00 H new ATOM 0 HA PHE A 15 22.883 2.222 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.240 4.057 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 15 20.676 4.035 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.630 4.707 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.939 5.086 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 15 25.479 6.227 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 15 23.794 6.599 5.622 1.00 0.00 H new ATOM 0 HZ PHE A 15 25.561 7.170 3.981 1.00 0.00 H new ATOM 261 N GLU A 16 21.567 2.176 5.082 1.00 0.00 N ATOM 262 CA GLU A 16 21.940 1.912 6.499 1.00 0.00 C ATOM 263 C GLU A 16 22.863 0.694 6.571 1.00 0.00 C ATOM 264 O GLU A 16 23.775 0.641 7.373 1.00 0.00 O ATOM 265 CB GLU A 16 20.619 1.628 7.213 1.00 0.00 C ATOM 266 CG GLU A 16 19.768 2.900 7.239 1.00 0.00 C ATOM 267 CD GLU A 16 19.864 3.551 8.619 1.00 0.00 C ATOM 268 OE1 GLU A 16 20.961 3.922 9.003 1.00 0.00 O ATOM 269 OE2 GLU A 16 18.838 3.668 9.270 1.00 0.00 O ATOM 0 H GLU A 16 20.578 2.367 4.921 1.00 0.00 H new ATOM 0 HA GLU A 16 22.472 2.748 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.082 0.829 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.810 1.285 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 16 20.111 3.595 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.730 2.660 7.010 1.00 0.00 H new ATOM 276 N GLN A 17 22.635 -0.285 5.737 1.00 0.00 N ATOM 277 CA GLN A 17 23.507 -1.495 5.762 1.00 0.00 C ATOM 278 C GLN A 17 24.913 -1.139 5.271 1.00 0.00 C ATOM 279 O GLN A 17 25.901 -1.496 5.882 1.00 0.00 O ATOM 280 CB GLN A 17 22.840 -2.491 4.812 1.00 0.00 C ATOM 281 CG GLN A 17 22.130 -3.576 5.625 1.00 0.00 C ATOM 282 CD GLN A 17 20.654 -3.626 5.227 1.00 0.00 C ATOM 283 OE1 GLN A 17 20.112 -2.656 4.736 1.00 0.00 O ATOM 284 NE2 GLN A 17 19.976 -4.724 5.419 1.00 0.00 N ATOM 0 H GLN A 17 21.887 -0.300 5.043 1.00 0.00 H new ATOM 0 HA GLN A 17 23.614 -1.906 6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 17 22.125 -1.975 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 17 23.587 -2.942 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 17 22.599 -4.544 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.224 -3.367 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 17 20.431 -5.539 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.991 -4.768 5.157 1.00 0.00 H new ATOM 293 N PHE A 18 25.013 -0.436 4.174 1.00 0.00 N ATOM 294 CA PHE A 18 26.361 -0.059 3.653 1.00 0.00 C ATOM 295 C PHE A 18 27.071 0.868 4.646 1.00 0.00 C ATOM 296 O PHE A 18 28.169 0.591 5.089 1.00 0.00 O ATOM 297 CB PHE A 18 26.090 0.658 2.330 1.00 0.00 C ATOM 298 CG PHE A 18 25.595 -0.347 1.317 1.00 0.00 C ATOM 299 CD1 PHE A 18 26.509 -1.064 0.535 1.00 0.00 C ATOM 300 CD2 PHE A 18 24.222 -0.568 1.165 1.00 0.00 C ATOM 301 CE1 PHE A 18 26.049 -2.001 -0.398 1.00 0.00 C ATOM 302 CE2 PHE A 18 23.762 -1.504 0.232 1.00 0.00 C ATOM 303 CZ PHE A 18 24.675 -2.221 -0.549 1.00 0.00 C ATOM 0 H PHE A 18 24.224 -0.107 3.618 1.00 0.00 H new ATOM 0 HA PHE A 18 27.010 -0.924 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.349 1.444 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.999 1.139 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.569 -0.894 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 18 23.517 -0.016 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 18 26.754 -2.554 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 18 22.702 -1.673 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.320 -2.944 -1.268 1.00 0.00 H new ATOM 313 N ARG A 19 26.455 1.962 5.008 1.00 0.00 N ATOM 314 CA ARG A 19 27.101 2.891 5.980 1.00 0.00 C ATOM 315 C ARG A 19 27.729 2.094 7.130 1.00 0.00 C ATOM 316 O ARG A 19 28.920 2.170 7.381 1.00 0.00 O ATOM 317 CB ARG A 19 25.963 3.773 6.497 1.00 0.00 C ATOM 318 CG ARG A 19 26.534 4.880 7.384 1.00 0.00 C ATOM 319 CD ARG A 19 27.086 6.005 6.506 1.00 0.00 C ATOM 320 NE ARG A 19 27.943 6.815 7.415 1.00 0.00 N ATOM 321 CZ ARG A 19 29.165 7.111 7.067 1.00 0.00 C ATOM 322 NH1 ARG A 19 30.084 6.184 7.058 1.00 0.00 N ATOM 323 NH2 ARG A 19 29.469 8.334 6.729 1.00 0.00 N ATOM 0 H ARG A 19 25.536 2.252 4.674 1.00 0.00 H new ATOM 0 HA ARG A 19 27.899 3.479 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 19 25.418 4.209 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 19 25.251 3.171 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 19 25.758 5.267 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 19 27.324 4.480 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 19 27.662 5.608 5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 19 26.282 6.606 6.082 1.00 0.00 H new ATOM 0 HE ARG A 19 27.575 7.138 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 19 29.847 5.228 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 19 31.039 6.416 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 19 28.751 9.059 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 19 30.424 8.565 6.457 1.00 0.00 H new ATOM 337 N GLU A 20 26.937 1.326 7.829 1.00 0.00 N ATOM 338 CA GLU A 20 27.488 0.522 8.956 1.00 0.00 C ATOM 339 C GLU A 20 28.758 -0.200 8.506 1.00 0.00 C ATOM 340 O GLU A 20 29.775 -0.161 9.170 1.00 0.00 O ATOM 341 CB GLU A 20 26.392 -0.487 9.302 1.00 0.00 C ATOM 342 CG GLU A 20 26.962 -1.556 10.238 1.00 0.00 C ATOM 343 CD GLU A 20 25.923 -1.913 11.302 1.00 0.00 C ATOM 344 OE1 GLU A 20 24.748 -1.925 10.974 1.00 0.00 O ATOM 345 OE2 GLU A 20 26.320 -2.168 12.427 1.00 0.00 O ATOM 0 H GLU A 20 25.935 1.221 7.668 1.00 0.00 H new ATOM 0 HA GLU A 20 27.754 1.139 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.553 0.020 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.009 -0.951 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.234 -2.445 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.872 -1.190 10.713 1.00 0.00 H new ATOM 352 N ARG A 21 28.709 -0.856 7.378 1.00 0.00 N ATOM 353 CA ARG A 21 29.916 -1.575 6.884 1.00 0.00 C ATOM 354 C ARG A 21 31.078 -0.596 6.729 1.00 0.00 C ATOM 355 O ARG A 21 32.171 -0.841 7.200 1.00 0.00 O ATOM 356 CB ARG A 21 29.517 -2.145 5.525 1.00 0.00 C ATOM 357 CG ARG A 21 28.893 -3.524 5.719 1.00 0.00 C ATOM 358 CD ARG A 21 29.947 -4.606 5.475 1.00 0.00 C ATOM 359 NE ARG A 21 29.444 -5.802 6.207 1.00 0.00 N ATOM 360 CZ ARG A 21 29.688 -6.999 5.747 1.00 0.00 C ATOM 361 NH1 ARG A 21 30.606 -7.173 4.836 1.00 0.00 N ATOM 362 NH2 ARG A 21 29.014 -8.021 6.199 1.00 0.00 N ATOM 0 H ARG A 21 27.886 -0.924 6.779 1.00 0.00 H new ATOM 0 HA ARG A 21 30.240 -2.357 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 21 28.809 -1.479 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 30.391 -2.217 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.493 -3.614 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 28.057 -3.655 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 21 30.062 -4.813 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 21 30.924 -4.297 5.847 1.00 0.00 H new ATOM 0 HE ARG A 21 28.909 -5.686 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.133 -6.374 4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 21 30.797 -8.108 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 21 28.297 -7.884 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.204 -8.957 5.840 1.00 0.00 H new ATOM 376 N ASN A 22 30.850 0.509 6.067 1.00 0.00 N ATOM 377 CA ASN A 22 31.943 1.506 5.878 1.00 0.00 C ATOM 378 C ASN A 22 32.752 1.632 7.167 1.00 0.00 C ATOM 379 O ASN A 22 33.965 1.577 7.158 1.00 0.00 O ATOM 380 CB ASN A 22 31.237 2.823 5.554 1.00 0.00 C ATOM 381 CG ASN A 22 31.941 3.502 4.378 1.00 0.00 C ATOM 382 OD1 ASN A 22 31.980 2.968 3.287 1.00 0.00 O ATOM 383 ND2 ASN A 22 32.505 4.666 4.553 1.00 0.00 N ATOM 0 H ASN A 22 29.954 0.763 5.650 1.00 0.00 H new ATOM 0 HA ASN A 22 32.636 1.219 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 22 30.192 2.637 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 22 31.247 3.478 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 22 32.977 5.126 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 22 32.473 5.116 5.468 1.00 0.00 H new ATOM 390 N GLU A 23 32.089 1.783 8.280 1.00 0.00 N ATOM 391 CA GLU A 23 32.828 1.895 9.569 1.00 0.00 C ATOM 392 C GLU A 23 33.610 0.603 9.834 1.00 0.00 C ATOM 393 O GLU A 23 34.817 0.614 10.006 1.00 0.00 O ATOM 394 CB GLU A 23 31.747 2.097 10.632 1.00 0.00 C ATOM 395 CG GLU A 23 32.394 2.561 11.938 1.00 0.00 C ATOM 396 CD GLU A 23 31.633 3.770 12.485 1.00 0.00 C ATOM 397 OE1 GLU A 23 30.471 3.918 12.143 1.00 0.00 O ATOM 398 OE2 GLU A 23 32.225 4.528 13.236 1.00 0.00 O ATOM 0 H GLU A 23 31.073 1.834 8.353 1.00 0.00 H new ATOM 0 HA GLU A 23 33.549 2.713 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 23 31.021 2.835 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 23 31.203 1.166 10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 23 32.385 1.752 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 23 33.438 2.823 11.766 1.00 0.00 H new ATOM 405 N ALA A 24 32.932 -0.513 9.860 1.00 0.00 N ATOM 406 CA ALA A 24 33.634 -1.804 10.107 1.00 0.00 C ATOM 407 C ALA A 24 34.689 -2.033 9.025 1.00 0.00 C ATOM 408 O ALA A 24 35.834 -2.324 9.312 1.00 0.00 O ATOM 409 CB ALA A 24 32.544 -2.873 10.032 1.00 0.00 C ATOM 0 H ALA A 24 31.924 -0.586 9.721 1.00 0.00 H new ATOM 0 HA ALA A 24 34.148 -1.822 11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 32.985 -3.855 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 24 31.788 -2.676 10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 24 32.080 -2.851 9.046 1.00 0.00 H new ATOM 415 N LEU A 25 34.316 -1.897 7.783 1.00 0.00 N ATOM 416 CA LEU A 25 35.302 -2.099 6.687 1.00 0.00 C ATOM 417 C LEU A 25 36.458 -1.109 6.845 1.00 0.00 C ATOM 418 O LEU A 25 37.613 -1.466 6.726 1.00 0.00 O ATOM 419 CB LEU A 25 34.527 -1.831 5.398 1.00 0.00 C ATOM 420 CG LEU A 25 34.042 -3.158 4.812 1.00 0.00 C ATOM 421 CD1 LEU A 25 35.235 -3.939 4.259 1.00 0.00 C ATOM 422 CD2 LEU A 25 33.361 -3.980 5.909 1.00 0.00 C ATOM 0 H LEU A 25 33.372 -1.655 7.481 1.00 0.00 H new ATOM 0 HA LEU A 25 35.735 -3.099 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 25 33.678 -1.178 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 35.163 -1.314 4.679 1.00 0.00 H new ATOM 0 HG LEU A 25 33.332 -2.962 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 25 34.889 -4.885 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 25 35.722 -3.355 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 25 35.945 -4.135 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 33.015 -4.926 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 34.072 -4.175 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 25 32.511 -3.425 6.305 1.00 0.00 H new ATOM 434 N GLU A 26 36.159 0.132 7.126 1.00 0.00 N ATOM 435 CA GLU A 26 37.250 1.131 7.304 1.00 0.00 C ATOM 436 C GLU A 26 38.348 0.528 8.179 1.00 0.00 C ATOM 437 O GLU A 26 39.519 0.594 7.859 1.00 0.00 O ATOM 438 CB GLU A 26 36.597 2.324 8.003 1.00 0.00 C ATOM 439 CG GLU A 26 37.605 3.471 8.105 1.00 0.00 C ATOM 440 CD GLU A 26 37.975 3.698 9.572 1.00 0.00 C ATOM 441 OE1 GLU A 26 38.771 2.930 10.087 1.00 0.00 O ATOM 442 OE2 GLU A 26 37.455 4.635 10.155 1.00 0.00 O ATOM 0 H GLU A 26 35.212 0.494 7.239 1.00 0.00 H new ATOM 0 HA GLU A 26 37.707 1.427 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 35.717 2.648 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 26 36.257 2.035 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 38.498 3.237 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 37.180 4.381 7.681 1.00 0.00 H new ATOM 449 N LEU A 27 37.976 -0.073 9.277 1.00 0.00 N ATOM 450 CA LEU A 27 39.001 -0.694 10.165 1.00 0.00 C ATOM 451 C LEU A 27 39.652 -1.884 9.452 1.00 0.00 C ATOM 452 O LEU A 27 40.860 -2.014 9.414 1.00 0.00 O ATOM 453 CB LEU A 27 38.227 -1.165 11.397 1.00 0.00 C ATOM 454 CG LEU A 27 37.910 0.034 12.291 1.00 0.00 C ATOM 455 CD1 LEU A 27 36.458 -0.050 12.762 1.00 0.00 C ATOM 456 CD2 LEU A 27 38.841 0.022 13.506 1.00 0.00 C ATOM 0 H LEU A 27 37.011 -0.161 9.597 1.00 0.00 H new ATOM 0 HA LEU A 27 39.799 -0.000 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 27 37.304 -1.659 11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 38.814 -1.899 11.950 1.00 0.00 H new ATOM 0 HG LEU A 27 38.056 0.956 11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 36.232 0.805 13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 35.794 -0.043 11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 27 36.311 -0.971 13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 38.617 0.876 14.145 1.00 0.00 H new ATOM 0 HD22 LEU A 27 38.694 -0.900 14.068 1.00 0.00 H new ATOM 0 HD23 LEU A 27 39.877 0.081 13.171 1.00 0.00 H new ATOM 468 N LYS A 28 38.858 -2.750 8.884 1.00 0.00 N ATOM 469 CA LYS A 28 39.423 -3.932 8.168 1.00 0.00 C ATOM 470 C LYS A 28 40.626 -3.511 7.317 1.00 0.00 C ATOM 471 O LYS A 28 41.592 -4.237 7.190 1.00 0.00 O ATOM 472 CB LYS A 28 38.276 -4.435 7.283 1.00 0.00 C ATOM 473 CG LYS A 28 38.832 -5.275 6.129 1.00 0.00 C ATOM 474 CD LYS A 28 39.691 -6.410 6.688 1.00 0.00 C ATOM 475 CE LYS A 28 39.085 -7.755 6.281 1.00 0.00 C ATOM 476 NZ LYS A 28 39.025 -7.715 4.794 1.00 0.00 N ATOM 0 H LYS A 28 37.840 -2.691 8.884 1.00 0.00 H new ATOM 0 HA LYS A 28 39.780 -4.704 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 28 37.583 -5.031 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 37.712 -3.589 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 28 38.014 -5.683 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 28 39.427 -4.649 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 28 40.710 -6.329 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 28 39.747 -6.338 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 39.698 -8.586 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 38.093 -7.888 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 39.289 -8.645 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 38.059 -7.477 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 39.686 -6.995 4.439 1.00 0.00 H new ATOM 490 N ASP A 29 40.573 -2.347 6.732 1.00 0.00 N ATOM 491 CA ASP A 29 41.711 -1.884 5.888 1.00 0.00 C ATOM 492 C ASP A 29 42.836 -1.329 6.767 1.00 0.00 C ATOM 493 O ASP A 29 44.001 -1.588 6.537 1.00 0.00 O ATOM 494 CB ASP A 29 41.125 -0.780 5.007 1.00 0.00 C ATOM 495 CG ASP A 29 40.763 -1.356 3.637 1.00 0.00 C ATOM 496 OD1 ASP A 29 40.512 -2.548 3.565 1.00 0.00 O ATOM 497 OD2 ASP A 29 40.742 -0.596 2.683 1.00 0.00 O ATOM 0 H ASP A 29 39.791 -1.696 6.801 1.00 0.00 H new ATOM 0 HA ASP A 29 42.142 -2.693 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 29 40.240 -0.355 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 29 41.846 0.030 4.894 1.00 0.00 H new ATOM 502 N ALA A 30 42.499 -0.566 7.770 1.00 0.00 N ATOM 503 CA ALA A 30 43.552 0.007 8.658 1.00 0.00 C ATOM 504 C ALA A 30 43.983 -1.020 9.709 1.00 0.00 C ATOM 505 O ALA A 30 44.727 -0.713 10.620 1.00 0.00 O ATOM 506 CB ALA A 30 42.893 1.214 9.325 1.00 0.00 C ATOM 0 H ALA A 30 41.541 -0.314 8.014 1.00 0.00 H new ATOM 0 HA ALA A 30 44.449 0.285 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 30 43.606 1.693 9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.580 1.926 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.023 0.886 9.893 1.00 0.00 H new ATOM 512 N GLN A 31 43.524 -2.236 9.593 1.00 0.00 N ATOM 513 CA GLN A 31 43.913 -3.276 10.589 1.00 0.00 C ATOM 514 C GLN A 31 44.288 -4.578 9.876 1.00 0.00 C ATOM 515 O GLN A 31 45.449 -4.902 9.727 1.00 0.00 O ATOM 516 CB GLN A 31 42.672 -3.480 11.458 1.00 0.00 C ATOM 517 CG GLN A 31 42.923 -2.898 12.851 1.00 0.00 C ATOM 518 CD GLN A 31 42.322 -3.827 13.908 1.00 0.00 C ATOM 519 OE1 GLN A 31 41.149 -4.141 13.862 1.00 0.00 O ATOM 520 NE2 GLN A 31 43.082 -4.284 14.865 1.00 0.00 N ATOM 0 H GLN A 31 42.898 -2.555 8.854 1.00 0.00 H new ATOM 0 HA GLN A 31 44.779 -2.976 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 31 41.810 -2.995 10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 42.438 -4.542 11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.993 -2.781 13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.478 -1.906 12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.067 -4.021 14.904 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.691 -4.905 15.574 1.00 0.00 H new ATOM 606 N TYR B 4 17.845 10.225 -3.121 1.00 0.00 N ATOM 607 CA TYR B 4 18.796 9.077 -3.141 1.00 0.00 C ATOM 608 C TYR B 4 19.924 9.306 -2.130 1.00 0.00 C ATOM 609 O TYR B 4 20.107 10.397 -1.627 1.00 0.00 O ATOM 610 CB TYR B 4 19.349 9.043 -4.569 1.00 0.00 C ATOM 611 CG TYR B 4 20.348 10.161 -4.755 1.00 0.00 C ATOM 612 CD1 TYR B 4 19.904 11.452 -5.062 1.00 0.00 C ATOM 613 CD2 TYR B 4 21.717 9.906 -4.618 1.00 0.00 C ATOM 614 CE1 TYR B 4 20.829 12.488 -5.233 1.00 0.00 C ATOM 615 CE2 TYR B 4 22.643 10.942 -4.788 1.00 0.00 C ATOM 616 CZ TYR B 4 22.199 12.233 -5.096 1.00 0.00 C ATOM 617 OH TYR B 4 23.111 13.255 -5.264 1.00 0.00 O ATOM 0 HA TYR B 4 18.315 8.137 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR B 4 19.825 8.081 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR B 4 18.535 9.146 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR B 4 18.847 11.649 -5.167 1.00 0.00 H new ATOM 0 HD2 TYR B 4 22.059 8.910 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR B 4 20.486 13.484 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR B 4 23.700 10.745 -4.682 1.00 0.00 H new ATOM 0 HH TYR B 4 24.018 12.908 -5.133 1.00 0.00 H new ATOM 627 N PHE B 5 20.681 8.287 -1.832 1.00 0.00 N ATOM 628 CA PHE B 5 21.797 8.449 -0.856 1.00 0.00 C ATOM 629 C PHE B 5 23.135 8.152 -1.537 1.00 0.00 C ATOM 630 O PHE B 5 23.182 7.704 -2.665 1.00 0.00 O ATOM 631 CB PHE B 5 21.511 7.426 0.243 1.00 0.00 C ATOM 632 CG PHE B 5 20.461 7.975 1.179 1.00 0.00 C ATOM 633 CD1 PHE B 5 19.109 7.933 0.817 1.00 0.00 C ATOM 634 CD2 PHE B 5 20.839 8.527 2.409 1.00 0.00 C ATOM 635 CE1 PHE B 5 18.136 8.442 1.684 1.00 0.00 C ATOM 636 CE2 PHE B 5 19.865 9.037 3.277 1.00 0.00 C ATOM 637 CZ PHE B 5 18.513 8.994 2.914 1.00 0.00 C ATOM 0 H PHE B 5 20.576 7.350 -2.221 1.00 0.00 H new ATOM 0 HA PHE B 5 21.861 9.462 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE B 5 21.168 6.490 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE B 5 22.425 7.203 0.794 1.00 0.00 H new ATOM 0 HD1 PHE B 5 18.817 7.508 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE B 5 21.882 8.560 2.689 1.00 0.00 H new ATOM 0 HE1 PHE B 5 17.093 8.409 1.404 1.00 0.00 H new ATOM 0 HE2 PHE B 5 20.156 9.463 4.226 1.00 0.00 H new ATOM 0 HZ PHE B 5 17.761 9.387 3.583 1.00 0.00 H new ATOM 647 N THR B 6 24.225 8.401 -0.863 1.00 0.00 N ATOM 648 CA THR B 6 25.556 8.133 -1.480 1.00 0.00 C ATOM 649 C THR B 6 26.626 7.992 -0.395 1.00 0.00 C ATOM 650 O THR B 6 26.436 8.392 0.737 1.00 0.00 O ATOM 651 CB THR B 6 25.837 9.355 -2.354 1.00 0.00 C ATOM 652 OG1 THR B 6 24.903 9.395 -3.423 1.00 0.00 O ATOM 653 CG2 THR B 6 27.257 9.268 -2.917 1.00 0.00 C ATOM 0 H THR B 6 24.252 8.777 0.085 1.00 0.00 H new ATOM 0 HA THR B 6 25.566 7.207 -2.055 1.00 0.00 H new ATOM 0 HB THR B 6 25.742 10.260 -1.754 1.00 0.00 H new ATOM 0 HG1 THR B 6 24.407 8.550 -3.456 1.00 0.00 H new ATOM 0 HG21 THR B 6 27.455 10.140 -3.540 1.00 0.00 H new ATOM 0 HG22 THR B 6 27.973 9.238 -2.096 1.00 0.00 H new ATOM 0 HG23 THR B 6 27.356 8.363 -3.517 1.00 0.00 H new ATOM 661 N LEU B 7 27.752 7.426 -0.733 1.00 0.00 N ATOM 662 CA LEU B 7 28.838 7.259 0.275 1.00 0.00 C ATOM 663 C LEU B 7 30.206 7.354 -0.405 1.00 0.00 C ATOM 664 O LEU B 7 30.316 7.275 -1.613 1.00 0.00 O ATOM 665 CB LEU B 7 28.626 5.862 0.860 1.00 0.00 C ATOM 666 CG LEU B 7 28.006 5.981 2.253 1.00 0.00 C ATOM 667 CD1 LEU B 7 27.380 4.642 2.648 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.093 6.352 3.265 1.00 0.00 C ATOM 0 H LEU B 7 27.967 7.071 -1.665 1.00 0.00 H new ATOM 0 HA LEU B 7 28.810 8.030 1.045 1.00 0.00 H new ATOM 0 HB2 LEU B 7 27.975 5.279 0.209 1.00 0.00 H new ATOM 0 HB3 LEU B 7 29.577 5.332 0.918 1.00 0.00 H new ATOM 0 HG LEU B 7 27.238 6.754 2.244 1.00 0.00 H new ATOM 0 HD11 LEU B 7 26.938 4.726 3.641 1.00 0.00 H new ATOM 0 HD12 LEU B 7 26.607 4.375 1.928 1.00 0.00 H new ATOM 0 HD13 LEU B 7 28.149 3.870 2.657 1.00 0.00 H new ATOM 0 HD21 LEU B 7 28.652 6.437 4.258 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.861 5.579 3.274 1.00 0.00 H new ATOM 0 HD23 LEU B 7 29.541 7.305 2.984 1.00 0.00 H new ATOM 680 N GLN B 8 31.249 7.522 0.360 1.00 0.00 N ATOM 681 CA GLN B 8 32.609 7.622 -0.243 1.00 0.00 C ATOM 682 C GLN B 8 33.551 6.611 0.415 1.00 0.00 C ATOM 683 O GLN B 8 33.647 6.535 1.624 1.00 0.00 O ATOM 684 CB GLN B 8 33.065 9.052 0.045 1.00 0.00 C ATOM 685 CG GLN B 8 31.975 10.033 -0.391 1.00 0.00 C ATOM 686 CD GLN B 8 32.603 11.396 -0.689 1.00 0.00 C ATOM 687 OE1 GLN B 8 32.843 12.178 0.210 1.00 0.00 O ATOM 688 NE2 GLN B 8 32.881 11.717 -1.923 1.00 0.00 N ATOM 0 H GLN B 8 31.219 7.594 1.377 1.00 0.00 H new ATOM 0 HA GLN B 8 32.607 7.405 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN B 8 33.273 9.172 1.108 1.00 0.00 H new ATOM 0 HB3 GLN B 8 33.993 9.263 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN B 8 31.464 9.655 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN B 8 31.224 10.131 0.393 1.00 0.00 H new ATOM 0 HE21 GLN B 8 32.680 11.061 -2.678 1.00 0.00 H new ATOM 0 HE22 GLN B 8 33.299 12.623 -2.132 1.00 0.00 H new ATOM 697 N ILE B 9 34.245 5.833 -0.369 1.00 0.00 N ATOM 698 CA ILE B 9 35.177 4.826 0.215 1.00 0.00 C ATOM 699 C ILE B 9 36.581 4.995 -0.376 1.00 0.00 C ATOM 700 O ILE B 9 36.743 5.380 -1.517 1.00 0.00 O ATOM 701 CB ILE B 9 34.587 3.470 -0.175 1.00 0.00 C ATOM 702 CG1 ILE B 9 33.382 3.165 0.718 1.00 0.00 C ATOM 703 CG2 ILE B 9 35.642 2.378 0.007 1.00 0.00 C ATOM 704 CD1 ILE B 9 32.520 2.086 0.062 1.00 0.00 C ATOM 0 H ILE B 9 34.208 5.850 -1.388 1.00 0.00 H new ATOM 0 HA ILE B 9 35.276 4.932 1.295 1.00 0.00 H new ATOM 0 HB ILE B 9 34.273 3.499 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE B 9 33.719 2.830 1.699 1.00 0.00 H new ATOM 0 HG13 ILE B 9 32.794 4.069 0.875 1.00 0.00 H new ATOM 0 HG21 ILE B 9 35.219 1.413 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE B 9 36.502 2.594 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE B 9 35.958 2.348 1.050 1.00 0.00 H new ATOM 0 HD11 ILE B 9 31.662 1.869 0.698 1.00 0.00 H new ATOM 0 HD12 ILE B 9 32.172 2.439 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE B 9 33.111 1.180 -0.072 1.00 0.00 H new ATOM 716 N ARG B 10 37.596 4.707 0.393 1.00 0.00 N ATOM 717 CA ARG B 10 38.988 4.850 -0.123 1.00 0.00 C ATOM 718 C ARG B 10 39.695 3.493 -0.116 1.00 0.00 C ATOM 719 O ARG B 10 40.190 3.046 0.900 1.00 0.00 O ATOM 720 CB ARG B 10 39.671 5.815 0.847 1.00 0.00 C ATOM 721 CG ARG B 10 41.050 6.196 0.302 1.00 0.00 C ATOM 722 CD ARG B 10 41.900 6.788 1.429 1.00 0.00 C ATOM 723 NE ARG B 10 41.720 8.261 1.312 1.00 0.00 N ATOM 724 CZ ARG B 10 41.524 8.983 2.382 1.00 0.00 C ATOM 725 NH1 ARG B 10 42.495 9.160 3.236 1.00 0.00 N ATOM 726 NH2 ARG B 10 40.357 9.526 2.597 1.00 0.00 N ATOM 0 H ARG B 10 37.522 4.379 1.356 1.00 0.00 H new ATOM 0 HA ARG B 10 39.014 5.216 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG B 10 39.060 6.708 0.978 1.00 0.00 H new ATOM 0 HB3 ARG B 10 39.771 5.351 1.828 1.00 0.00 H new ATOM 0 HG2 ARG B 10 41.542 5.318 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG B 10 40.946 6.919 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG B 10 41.572 6.426 2.403 1.00 0.00 H new ATOM 0 HD3 ARG B 10 42.948 6.508 1.322 1.00 0.00 H new ATOM 0 HE ARG B 10 41.750 8.707 0.395 1.00 0.00 H new ATOM 0 HH11 ARG B 10 43.406 8.734 3.067 1.00 0.00 H new ATOM 0 HH12 ARG B 10 42.342 9.724 4.072 1.00 0.00 H new ATOM 0 HH21 ARG B 10 39.599 9.386 1.929 1.00 0.00 H new ATOM 0 HH22 ARG B 10 40.203 10.090 3.433 1.00 0.00 H new ATOM 740 N GLY B 11 39.746 2.834 -1.240 1.00 0.00 N ATOM 741 CA GLY B 11 40.421 1.506 -1.296 1.00 0.00 C ATOM 742 C GLY B 11 39.530 0.511 -2.042 1.00 0.00 C ATOM 743 O GLY B 11 38.337 0.444 -1.819 1.00 0.00 O ATOM 0 H GLY B 11 39.350 3.157 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY B 11 41.384 1.597 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY B 11 40.621 1.145 -0.287 1.00 0.00 H new ATOM 747 N ARG B 12 40.098 -0.263 -2.926 1.00 0.00 N ATOM 748 CA ARG B 12 39.281 -1.253 -3.685 1.00 0.00 C ATOM 749 C ARG B 12 39.086 -2.525 -2.856 1.00 0.00 C ATOM 750 O ARG B 12 38.167 -3.288 -3.079 1.00 0.00 O ATOM 751 CB ARG B 12 40.091 -1.552 -4.947 1.00 0.00 C ATOM 752 CG ARG B 12 39.138 -1.814 -6.115 1.00 0.00 C ATOM 753 CD ARG B 12 39.797 -1.371 -7.423 1.00 0.00 C ATOM 754 NE ARG B 12 39.725 -2.563 -8.312 1.00 0.00 N ATOM 755 CZ ARG B 12 40.670 -3.461 -8.276 1.00 0.00 C ATOM 756 NH1 ARG B 12 41.854 -3.182 -8.750 1.00 0.00 N ATOM 757 NH2 ARG B 12 40.433 -4.638 -7.766 1.00 0.00 N ATOM 0 H ARG B 12 41.092 -0.253 -3.156 1.00 0.00 H new ATOM 0 HA ARG B 12 38.287 -0.874 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG B 12 40.746 -0.712 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG B 12 40.731 -2.419 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG B 12 38.888 -2.874 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG B 12 38.204 -1.272 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG B 12 39.274 -0.520 -7.860 1.00 0.00 H new ATOM 0 HD3 ARG B 12 40.829 -1.062 -7.260 1.00 0.00 H new ATOM 0 HE ARG B 12 38.937 -2.677 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG B 12 42.040 -2.262 -9.148 1.00 0.00 H new ATOM 0 HH12 ARG B 12 42.593 -3.884 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG B 12 39.508 -4.856 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG B 12 41.172 -5.340 -7.738 1.00 0.00 H new ATOM 771 N GLU B 13 39.943 -2.759 -1.899 1.00 0.00 N ATOM 772 CA GLU B 13 39.803 -3.983 -1.058 1.00 0.00 C ATOM 773 C GLU B 13 38.461 -3.962 -0.322 1.00 0.00 C ATOM 774 O GLU B 13 37.723 -4.927 -0.330 1.00 0.00 O ATOM 775 CB GLU B 13 40.962 -3.917 -0.063 1.00 0.00 C ATOM 776 CG GLU B 13 42.285 -4.113 -0.805 1.00 0.00 C ATOM 777 CD GLU B 13 43.408 -4.349 0.206 1.00 0.00 C ATOM 778 OE1 GLU B 13 43.245 -3.947 1.347 1.00 0.00 O ATOM 779 OE2 GLU B 13 44.412 -4.927 -0.177 1.00 0.00 O ATOM 0 H GLU B 13 40.732 -2.157 -1.663 1.00 0.00 H new ATOM 0 HA GLU B 13 39.829 -4.898 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU B 13 40.960 -2.955 0.450 1.00 0.00 H new ATOM 0 HB3 GLU B 13 40.844 -4.686 0.700 1.00 0.00 H new ATOM 0 HG2 GLU B 13 42.210 -4.961 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU B 13 42.507 -3.236 -1.412 1.00 0.00 H new ATOM 786 N ARG B 14 38.138 -2.868 0.311 1.00 0.00 N ATOM 787 CA ARG B 14 36.843 -2.787 1.043 1.00 0.00 C ATOM 788 C ARG B 14 35.713 -2.435 0.073 1.00 0.00 C ATOM 789 O ARG B 14 34.626 -2.970 0.152 1.00 0.00 O ATOM 790 CB ARG B 14 37.035 -1.671 2.071 1.00 0.00 C ATOM 791 CG ARG B 14 37.141 -0.326 1.350 1.00 0.00 C ATOM 792 CD ARG B 14 37.628 0.741 2.333 1.00 0.00 C ATOM 793 NE ARG B 14 36.387 1.380 2.851 1.00 0.00 N ATOM 794 CZ ARG B 14 36.467 2.369 3.698 1.00 0.00 C ATOM 795 NH1 ARG B 14 37.389 3.281 3.552 1.00 0.00 N ATOM 796 NH2 ARG B 14 35.625 2.445 4.692 1.00 0.00 N ATOM 0 H ARG B 14 38.714 -2.027 0.353 1.00 0.00 H new ATOM 0 HA ARG B 14 36.575 -3.732 1.516 1.00 0.00 H new ATOM 0 HB2 ARG B 14 36.198 -1.657 2.769 1.00 0.00 H new ATOM 0 HB3 ARG B 14 37.935 -1.853 2.658 1.00 0.00 H new ATOM 0 HG2 ARG B 14 37.831 -0.405 0.510 1.00 0.00 H new ATOM 0 HG3 ARG B 14 36.171 -0.043 0.940 1.00 0.00 H new ATOM 0 HD2 ARG B 14 38.211 0.298 3.140 1.00 0.00 H new ATOM 0 HD3 ARG B 14 38.271 1.469 1.839 1.00 0.00 H new ATOM 0 HE ARG B 14 35.474 1.044 2.544 1.00 0.00 H new ATOM 0 HH11 ARG B 14 38.047 3.221 2.775 1.00 0.00 H new ATOM 0 HH12 ARG B 14 37.451 4.054 4.215 1.00 0.00 H new ATOM 0 HH21 ARG B 14 34.905 1.732 4.806 1.00 0.00 H new ATOM 0 HH22 ARG B 14 35.687 3.218 5.355 1.00 0.00 H new ATOM 810 N PHE B 15 35.960 -1.540 -0.844 1.00 0.00 N ATOM 811 CA PHE B 15 34.893 -1.165 -1.815 1.00 0.00 C ATOM 812 C PHE B 15 34.303 -2.423 -2.454 1.00 0.00 C ATOM 813 O PHE B 15 33.102 -2.602 -2.505 1.00 0.00 O ATOM 814 CB PHE B 15 35.591 -0.306 -2.869 1.00 0.00 C ATOM 815 CG PHE B 15 34.598 0.065 -3.943 1.00 0.00 C ATOM 816 CD1 PHE B 15 33.731 1.148 -3.750 1.00 0.00 C ATOM 817 CD2 PHE B 15 34.538 -0.677 -5.129 1.00 0.00 C ATOM 818 CE1 PHE B 15 32.806 1.489 -4.744 1.00 0.00 C ATOM 819 CE2 PHE B 15 33.612 -0.336 -6.122 1.00 0.00 C ATOM 820 CZ PHE B 15 32.747 0.747 -5.930 1.00 0.00 C ATOM 0 H PHE B 15 36.849 -1.055 -0.963 1.00 0.00 H new ATOM 0 HA PHE B 15 34.071 -0.630 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE B 15 36.001 0.593 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE B 15 36.428 -0.852 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE B 15 33.776 1.720 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE B 15 35.206 -1.512 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE B 15 32.138 2.324 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE B 15 33.565 -0.909 -7.036 1.00 0.00 H new ATOM 0 HZ PHE B 15 32.034 1.011 -6.697 1.00 0.00 H new ATOM 830 N GLU B 16 35.139 -3.299 -2.939 1.00 0.00 N ATOM 831 CA GLU B 16 34.626 -4.547 -3.571 1.00 0.00 C ATOM 832 C GLU B 16 33.529 -5.161 -2.698 1.00 0.00 C ATOM 833 O GLU B 16 32.565 -5.712 -3.190 1.00 0.00 O ATOM 834 CB GLU B 16 35.836 -5.480 -3.648 1.00 0.00 C ATOM 835 CG GLU B 16 36.862 -4.909 -4.628 1.00 0.00 C ATOM 836 CD GLU B 16 36.765 -5.652 -5.961 1.00 0.00 C ATOM 837 OE1 GLU B 16 35.710 -5.598 -6.571 1.00 0.00 O ATOM 838 OE2 GLU B 16 37.747 -6.262 -6.350 1.00 0.00 O ATOM 0 H GLU B 16 36.155 -3.205 -2.925 1.00 0.00 H new ATOM 0 HA GLU B 16 34.190 -4.366 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU B 16 36.284 -5.593 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU B 16 35.523 -6.473 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU B 16 36.683 -3.845 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU B 16 37.867 -5.008 -4.217 1.00 0.00 H new ATOM 845 N GLN B 17 33.669 -5.067 -1.403 1.00 0.00 N ATOM 846 CA GLN B 17 32.634 -5.644 -0.500 1.00 0.00 C ATOM 847 C GLN B 17 31.332 -4.845 -0.612 1.00 0.00 C ATOM 848 O GLN B 17 30.261 -5.404 -0.741 1.00 0.00 O ATOM 849 CB GLN B 17 33.222 -5.526 0.907 1.00 0.00 C ATOM 850 CG GLN B 17 33.710 -6.899 1.374 1.00 0.00 C ATOM 851 CD GLN B 17 35.188 -6.813 1.759 1.00 0.00 C ATOM 852 OE1 GLN B 17 35.900 -5.947 1.292 1.00 0.00 O ATOM 853 NE2 GLN B 17 35.683 -7.682 2.598 1.00 0.00 N ATOM 0 H GLN B 17 34.454 -4.616 -0.933 1.00 0.00 H new ATOM 0 HA GLN B 17 32.394 -6.677 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN B 17 34.048 -4.815 0.909 1.00 0.00 H new ATOM 0 HB3 GLN B 17 32.470 -5.142 1.596 1.00 0.00 H new ATOM 0 HG2 GLN B 17 33.120 -7.235 2.227 1.00 0.00 H new ATOM 0 HG3 GLN B 17 33.572 -7.634 0.581 1.00 0.00 H new ATOM 0 HE21 GLN B 17 35.085 -8.410 2.991 1.00 0.00 H new ATOM 0 HE22 GLN B 17 36.667 -7.633 2.861 1.00 0.00 H new ATOM 862 N PHE B 18 31.413 -3.542 -0.566 1.00 0.00 N ATOM 863 CA PHE B 18 30.174 -2.718 -0.673 1.00 0.00 C ATOM 864 C PHE B 18 29.547 -2.890 -2.059 1.00 0.00 C ATOM 865 O PHE B 18 28.384 -3.217 -2.187 1.00 0.00 O ATOM 866 CB PHE B 18 30.627 -1.273 -0.458 1.00 0.00 C ATOM 867 CG PHE B 18 31.051 -1.093 0.978 1.00 0.00 C ATOM 868 CD1 PHE B 18 30.107 -0.721 1.941 1.00 0.00 C ATOM 869 CD2 PHE B 18 32.383 -1.307 1.349 1.00 0.00 C ATOM 870 CE1 PHE B 18 30.492 -0.565 3.275 1.00 0.00 C ATOM 871 CE2 PHE B 18 32.770 -1.148 2.685 1.00 0.00 C ATOM 872 CZ PHE B 18 31.823 -0.779 3.648 1.00 0.00 C ATOM 0 H PHE B 18 32.279 -3.014 -0.459 1.00 0.00 H new ATOM 0 HA PHE B 18 29.419 -3.013 0.056 1.00 0.00 H new ATOM 0 HB2 PHE B 18 31.455 -1.036 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE B 18 29.816 -0.586 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.080 -0.554 1.653 1.00 0.00 H new ATOM 0 HD2 PHE B 18 33.112 -1.595 0.606 1.00 0.00 H new ATOM 0 HE1 PHE B 18 29.762 -0.279 4.018 1.00 0.00 H new ATOM 0 HE2 PHE B 18 33.798 -1.310 2.973 1.00 0.00 H new ATOM 0 HZ PHE B 18 32.120 -0.660 4.679 1.00 0.00 H new ATOM 882 N ARG B 19 30.308 -2.679 -3.100 1.00 0.00 N ATOM 883 CA ARG B 19 29.746 -2.841 -4.471 1.00 0.00 C ATOM 884 C ARG B 19 28.926 -4.130 -4.546 1.00 0.00 C ATOM 885 O ARG B 19 27.757 -4.116 -4.878 1.00 0.00 O ATOM 886 CB ARG B 19 30.961 -2.923 -5.396 1.00 0.00 C ATOM 887 CG ARG B 19 30.494 -2.942 -6.853 1.00 0.00 C ATOM 888 CD ARG B 19 30.163 -1.517 -7.302 1.00 0.00 C ATOM 889 NE ARG B 19 29.365 -1.681 -8.549 1.00 0.00 N ATOM 890 CZ ARG B 19 28.228 -1.055 -8.683 1.00 0.00 C ATOM 891 NH1 ARG B 19 27.188 -1.437 -7.995 1.00 0.00 N ATOM 892 NH2 ARG B 19 28.131 -0.047 -9.507 1.00 0.00 N ATOM 0 H ARG B 19 31.289 -2.403 -3.060 1.00 0.00 H new ATOM 0 HA ARG B 19 29.084 -2.021 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG B 19 31.619 -2.071 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG B 19 31.538 -3.821 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG B 19 31.272 -3.364 -7.490 1.00 0.00 H new ATOM 0 HG3 ARG B 19 29.616 -3.580 -6.956 1.00 0.00 H new ATOM 0 HD2 ARG B 19 29.597 -0.984 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG B 19 31.070 -0.941 -7.487 1.00 0.00 H new ATOM 0 HE ARG B 19 29.707 -2.283 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG B 19 27.263 -2.225 -7.352 1.00 0.00 H new ATOM 0 HH12 ARG B 19 26.299 -0.948 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG B 19 28.944 0.251 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG B 19 27.242 0.442 -9.612 1.00 0.00 H new ATOM 906 N GLU B 20 29.528 -5.245 -4.232 1.00 0.00 N ATOM 907 CA GLU B 20 28.780 -6.534 -4.278 1.00 0.00 C ATOM 908 C GLU B 20 27.456 -6.394 -3.524 1.00 0.00 C ATOM 909 O GLU B 20 26.410 -6.777 -4.009 1.00 0.00 O ATOM 910 CB GLU B 20 29.690 -7.546 -3.582 1.00 0.00 C ATOM 911 CG GLU B 20 28.903 -8.826 -3.294 1.00 0.00 C ATOM 912 CD GLU B 20 29.801 -10.042 -3.532 1.00 0.00 C ATOM 913 OE1 GLU B 20 30.982 -9.947 -3.241 1.00 0.00 O ATOM 914 OE2 GLU B 20 29.292 -11.047 -4.000 1.00 0.00 O ATOM 0 H GLU B 20 30.504 -5.319 -3.946 1.00 0.00 H new ATOM 0 HA GLU B 20 28.539 -6.840 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU B 20 30.551 -7.770 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU B 20 30.075 -7.126 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU B 20 28.545 -8.821 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU B 20 28.025 -8.878 -3.937 1.00 0.00 H new ATOM 921 N ARG B 21 27.493 -5.844 -2.341 1.00 0.00 N ATOM 922 CA ARG B 21 26.236 -5.675 -1.558 1.00 0.00 C ATOM 923 C ARG B 21 25.238 -4.829 -2.350 1.00 0.00 C ATOM 924 O ARG B 21 24.084 -5.185 -2.490 1.00 0.00 O ATOM 925 CB ARG B 21 26.655 -4.949 -0.281 1.00 0.00 C ATOM 926 CG ARG B 21 27.059 -5.974 0.780 1.00 0.00 C ATOM 927 CD ARG B 21 25.874 -6.240 1.710 1.00 0.00 C ATOM 928 NE ARG B 21 26.142 -7.580 2.300 1.00 0.00 N ATOM 929 CZ ARG B 21 25.758 -7.844 3.518 1.00 0.00 C ATOM 930 NH1 ARG B 21 24.891 -7.070 4.112 1.00 0.00 N ATOM 931 NH2 ARG B 21 26.240 -8.884 4.143 1.00 0.00 N ATOM 0 H ARG B 21 28.339 -5.505 -1.883 1.00 0.00 H new ATOM 0 HA ARG B 21 25.752 -6.627 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG B 21 27.488 -4.277 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG B 21 25.834 -4.334 0.086 1.00 0.00 H new ATOM 0 HG2 ARG B 21 27.376 -6.901 0.303 1.00 0.00 H new ATOM 0 HG3 ARG B 21 27.909 -5.604 1.353 1.00 0.00 H new ATOM 0 HD2 ARG B 21 25.800 -5.476 2.484 1.00 0.00 H new ATOM 0 HD3 ARG B 21 24.932 -6.231 1.162 1.00 0.00 H new ATOM 0 HE ARG B 21 26.626 -8.291 1.752 1.00 0.00 H new ATOM 0 HH11 ARG B 21 24.513 -6.258 3.624 1.00 0.00 H new ATOM 0 HH12 ARG B 21 24.591 -7.277 5.065 1.00 0.00 H new ATOM 0 HH21 ARG B 21 26.917 -9.490 3.679 1.00 0.00 H new ATOM 0 HH22 ARG B 21 25.940 -9.091 5.096 1.00 0.00 H new ATOM 945 N ASN B 22 25.675 -3.713 -2.870 1.00 0.00 N ATOM 946 CA ASN B 22 24.752 -2.845 -3.656 1.00 0.00 C ATOM 947 C ASN B 22 23.878 -3.708 -4.568 1.00 0.00 C ATOM 948 O ASN B 22 22.676 -3.546 -4.624 1.00 0.00 O ATOM 949 CB ASN B 22 25.664 -1.937 -4.483 1.00 0.00 C ATOM 950 CG ASN B 22 25.150 -0.498 -4.411 1.00 0.00 C ATOM 951 OD1 ASN B 22 25.110 0.093 -3.350 1.00 0.00 O ATOM 952 ND2 ASN B 22 24.753 0.096 -5.503 1.00 0.00 N ATOM 0 H ASN B 22 26.630 -3.366 -2.784 1.00 0.00 H new ATOM 0 HA ASN B 22 24.080 -2.268 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN B 22 26.686 -1.989 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN B 22 25.689 -2.274 -5.519 1.00 0.00 H new ATOM 0 HD21 ASN B 22 24.409 1.056 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN B 22 24.786 -0.399 -6.394 1.00 0.00 H new ATOM 959 N GLU B 23 24.471 -4.632 -5.273 1.00 0.00 N ATOM 960 CA GLU B 23 23.669 -5.511 -6.169 1.00 0.00 C ATOM 961 C GLU B 23 22.695 -6.347 -5.336 1.00 0.00 C ATOM 962 O GLU B 23 21.499 -6.322 -5.550 1.00 0.00 O ATOM 963 CB GLU B 23 24.689 -6.411 -6.865 1.00 0.00 C ATOM 964 CG GLU B 23 24.021 -7.118 -8.046 1.00 0.00 C ATOM 965 CD GLU B 23 24.905 -6.985 -9.288 1.00 0.00 C ATOM 966 OE1 GLU B 23 26.097 -6.787 -9.124 1.00 0.00 O ATOM 967 OE2 GLU B 23 24.373 -7.082 -10.382 1.00 0.00 O ATOM 0 H GLU B 23 25.474 -4.816 -5.267 1.00 0.00 H new ATOM 0 HA GLU B 23 23.077 -4.944 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU B 23 25.535 -5.819 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU B 23 25.082 -7.146 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU B 23 23.862 -8.170 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU B 23 23.040 -6.682 -8.237 1.00 0.00 H new ATOM 974 N ALA B 24 23.197 -7.081 -4.380 1.00 0.00 N ATOM 975 CA ALA B 24 22.298 -7.909 -3.527 1.00 0.00 C ATOM 976 C ALA B 24 21.301 -7.006 -2.799 1.00 0.00 C ATOM 977 O ALA B 24 20.109 -7.243 -2.812 1.00 0.00 O ATOM 978 CB ALA B 24 23.223 -8.605 -2.528 1.00 0.00 C ATOM 0 H ALA B 24 24.190 -7.143 -4.153 1.00 0.00 H new ATOM 0 HA ALA B 24 21.719 -8.628 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA B 24 22.632 -9.235 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA B 24 23.943 -9.221 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA B 24 23.754 -7.856 -1.941 1.00 0.00 H new ATOM 984 N LEU B 25 21.778 -5.967 -2.169 1.00 0.00 N ATOM 985 CA LEU B 25 20.855 -5.046 -1.449 1.00 0.00 C ATOM 986 C LEU B 25 19.844 -4.453 -2.433 1.00 0.00 C ATOM 987 O LEU B 25 18.662 -4.389 -2.158 1.00 0.00 O ATOM 988 CB LEU B 25 21.753 -3.951 -0.870 1.00 0.00 C ATOM 989 CG LEU B 25 22.086 -4.281 0.586 1.00 0.00 C ATOM 990 CD1 LEU B 25 20.838 -4.099 1.452 1.00 0.00 C ATOM 991 CD2 LEU B 25 22.564 -5.732 0.683 1.00 0.00 C ATOM 0 H LEU B 25 22.766 -5.717 -2.122 1.00 0.00 H new ATOM 0 HA LEU B 25 20.286 -5.552 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU B 25 22.669 -3.871 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU B 25 21.251 -2.985 -0.930 1.00 0.00 H new ATOM 0 HG LEU B 25 22.872 -3.613 0.937 1.00 0.00 H new ATOM 0 HD11 LEU B 25 21.077 -4.335 2.489 1.00 0.00 H new ATOM 0 HD12 LEU B 25 20.495 -3.066 1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 25 20.051 -4.766 1.101 1.00 0.00 H new ATOM 0 HD21 LEU B 25 22.802 -5.968 1.720 1.00 0.00 H new ATOM 0 HD22 LEU B 25 21.777 -6.399 0.330 1.00 0.00 H new ATOM 0 HD23 LEU B 25 23.454 -5.864 0.068 1.00 0.00 H new ATOM 1003 N GLU B 26 20.296 -4.027 -3.582 1.00 0.00 N ATOM 1004 CA GLU B 26 19.350 -3.450 -4.580 1.00 0.00 C ATOM 1005 C GLU B 26 18.110 -4.339 -4.678 1.00 0.00 C ATOM 1006 O GLU B 26 16.991 -3.869 -4.648 1.00 0.00 O ATOM 1007 CB GLU B 26 20.115 -3.443 -5.905 1.00 0.00 C ATOM 1008 CG GLU B 26 19.280 -2.737 -6.976 1.00 0.00 C ATOM 1009 CD GLU B 26 18.841 -3.751 -8.033 1.00 0.00 C ATOM 1010 OE1 GLU B 26 17.905 -4.487 -7.767 1.00 0.00 O ATOM 1011 OE2 GLU B 26 19.448 -3.775 -9.091 1.00 0.00 O ATOM 0 H GLU B 26 21.274 -4.053 -3.872 1.00 0.00 H new ATOM 0 HA GLU B 26 19.014 -2.449 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU B 26 21.071 -2.935 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU B 26 20.334 -4.465 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU B 26 18.407 -2.269 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU B 26 19.863 -1.941 -7.440 1.00 0.00 H new ATOM 1018 N LEU B 27 18.304 -5.626 -4.783 1.00 0.00 N ATOM 1019 CA LEU B 27 17.140 -6.551 -4.868 1.00 0.00 C ATOM 1020 C LEU B 27 16.381 -6.548 -3.539 1.00 0.00 C ATOM 1021 O LEU B 27 15.174 -6.414 -3.500 1.00 0.00 O ATOM 1022 CB LEU B 27 17.746 -7.930 -5.137 1.00 0.00 C ATOM 1023 CG LEU B 27 18.171 -8.028 -6.604 1.00 0.00 C ATOM 1024 CD1 LEU B 27 19.560 -8.663 -6.693 1.00 0.00 C ATOM 1025 CD2 LEU B 27 17.168 -8.894 -7.368 1.00 0.00 C ATOM 0 H LEU B 27 19.219 -6.076 -4.814 1.00 0.00 H new ATOM 0 HA LEU B 27 16.433 -6.262 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU B 27 18.606 -8.093 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU B 27 17.019 -8.709 -4.906 1.00 0.00 H new ATOM 0 HG LEU B 27 18.199 -7.030 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 27 19.862 -8.732 -7.738 1.00 0.00 H new ATOM 0 HD12 LEU B 27 20.277 -8.048 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU B 27 19.532 -9.661 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU B 27 17.470 -8.964 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU B 27 17.141 -9.892 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU B 27 16.177 -8.444 -7.306 1.00 0.00 H new ATOM 1037 N LYS B 28 17.084 -6.688 -2.448 1.00 0.00 N ATOM 1038 CA LYS B 28 16.411 -6.689 -1.116 1.00 0.00 C ATOM 1039 C LYS B 28 15.349 -5.585 -1.061 1.00 0.00 C ATOM 1040 O LYS B 28 14.302 -5.748 -0.468 1.00 0.00 O ATOM 1041 CB LYS B 28 17.537 -6.416 -0.112 1.00 0.00 C ATOM 1042 CG LYS B 28 16.954 -5.868 1.195 1.00 0.00 C ATOM 1043 CD LYS B 28 15.899 -6.836 1.732 1.00 0.00 C ATOM 1044 CE LYS B 28 16.333 -7.350 3.107 1.00 0.00 C ATOM 1045 NZ LYS B 28 16.510 -6.126 3.936 1.00 0.00 N ATOM 0 H LYS B 28 18.097 -6.802 -2.421 1.00 0.00 H new ATOM 0 HA LYS B 28 15.897 -7.627 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS B 28 18.091 -7.334 0.084 1.00 0.00 H new ATOM 0 HB3 LYS B 28 18.244 -5.701 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.747 -5.734 1.931 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.509 -4.888 1.024 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.934 -6.335 1.807 1.00 0.00 H new ATOM 0 HD3 LYS B 28 15.772 -7.671 1.043 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.581 -8.012 3.536 1.00 0.00 H new ATOM 0 HE3 LYS B 28 17.260 -7.920 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.144 -6.300 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 17.521 -5.886 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.989 -5.336 3.504 1.00 0.00 H new ATOM 1059 N ASP B 29 15.613 -4.464 -1.673 1.00 0.00 N ATOM 1060 CA ASP B 29 14.620 -3.352 -1.652 1.00 0.00 C ATOM 1061 C ASP B 29 13.527 -3.593 -2.697 1.00 0.00 C ATOM 1062 O ASP B 29 12.358 -3.381 -2.445 1.00 0.00 O ATOM 1063 CB ASP B 29 15.424 -2.098 -1.997 1.00 0.00 C ATOM 1064 CG ASP B 29 15.798 -1.360 -0.711 1.00 0.00 C ATOM 1065 OD1 ASP B 29 15.875 -2.008 0.320 1.00 0.00 O ATOM 1066 OD2 ASP B 29 16.000 -0.159 -0.778 1.00 0.00 O ATOM 0 H ASP B 29 16.473 -4.269 -2.187 1.00 0.00 H new ATOM 0 HA ASP B 29 14.120 -3.265 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP B 29 16.325 -2.371 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP B 29 14.840 -1.446 -2.646 1.00 0.00 H new ATOM 1071 N ALA B 30 13.899 -4.031 -3.869 1.00 0.00 N ATOM 1072 CA ALA B 30 12.879 -4.280 -4.929 1.00 0.00 C ATOM 1073 C ALA B 30 12.227 -5.652 -4.732 1.00 0.00 C ATOM 1074 O ALA B 30 11.468 -6.112 -5.561 1.00 0.00 O ATOM 1075 CB ALA B 30 13.657 -4.240 -6.244 1.00 0.00 C ATOM 0 H ALA B 30 14.863 -4.227 -4.139 1.00 0.00 H new ATOM 0 HA ALA B 30 12.075 -3.544 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA B 30 12.975 -4.415 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA B 30 14.127 -3.263 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA B 30 14.425 -5.013 -6.236 1.00 0.00 H new ATOM 1081 N GLN B 31 12.514 -6.308 -3.641 1.00 0.00 N ATOM 1082 CA GLN B 31 11.906 -7.648 -3.397 1.00 0.00 C ATOM 1083 C GLN B 31 11.398 -7.746 -1.956 1.00 0.00 C ATOM 1084 O GLN B 31 10.216 -7.641 -1.697 1.00 0.00 O ATOM 1085 CB GLN B 31 13.037 -8.649 -3.636 1.00 0.00 C ATOM 1086 CG GLN B 31 12.771 -9.421 -4.930 1.00 0.00 C ATOM 1087 CD GLN B 31 13.148 -10.891 -4.734 1.00 0.00 C ATOM 1088 OE1 GLN B 31 14.262 -11.199 -4.359 1.00 0.00 O ATOM 1089 NE2 GLN B 31 12.261 -11.817 -4.974 1.00 0.00 N ATOM 0 H GLN B 31 13.142 -5.975 -2.909 1.00 0.00 H new ATOM 0 HA GLN B 31 11.052 -7.836 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.991 -8.127 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN B 31 13.109 -9.340 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN B 31 11.720 -9.338 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.350 -8.992 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN B 31 11.326 -11.558 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN B 31 12.503 -12.800 -4.847 1.00 0.00 H new