USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0679 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.042) USER MOD Single : A 12 ASN : amide:sc= -0.0622 X(o=-0.062,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.206 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.122 F(o=-0.76,f=-0.12) USER MOD Single : A 32 ASN : amide:sc= -0.849 K(o=-0.85,f=-5.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.302 11.565 -3.049 1.00 0.00 N ATOM 2 CA MET A 1 -0.322 10.548 -2.685 1.00 0.00 C ATOM 3 C MET A 1 0.449 10.960 -1.435 1.00 0.00 C ATOM 4 O MET A 1 0.237 12.045 -0.893 1.00 0.00 O ATOM 5 CB MET A 1 0.650 10.308 -3.842 1.00 0.00 C ATOM 6 CG MET A 1 0.892 8.836 -4.136 1.00 0.00 C ATOM 7 SD MET A 1 1.630 8.565 -5.759 1.00 0.00 S ATOM 8 CE MET A 1 1.660 6.776 -5.823 1.00 0.00 C ATOM 0 H1 MET A 1 -2.211 11.109 -3.265 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.426 12.227 -2.256 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.968 12.085 -3.885 1.00 0.00 H new ATOM 0 HA MET A 1 -0.857 9.623 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.261 10.790 -4.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.602 10.785 -3.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.545 8.419 -3.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.054 8.297 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.091 6.453 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.264 6.393 -5.000 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.644 6.392 -5.737 1.00 0.00 H new ATOM 18 N ILE A 2 1.344 10.087 -0.983 1.00 0.00 N ATOM 19 CA ILE A 2 2.146 10.362 0.203 1.00 0.00 C ATOM 20 C ILE A 2 3.160 9.250 0.450 1.00 0.00 C ATOM 21 O ILE A 2 4.289 9.505 0.871 1.00 0.00 O ATOM 22 CB ILE A 2 1.264 10.525 1.455 1.00 0.00 C ATOM 23 CG1 ILE A 2 2.132 10.789 2.686 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.404 9.287 1.661 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.372 11.404 3.841 1.00 0.00 C ATOM 0 H ILE A 2 1.532 9.185 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 2 2.674 11.298 0.017 1.00 0.00 H new ATOM 0 HB ILE A 2 0.605 11.381 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.578 9.850 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.952 11.451 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.214 9.417 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.237 9.140 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.046 8.415 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.050 11.563 4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.948 12.359 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.569 10.733 4.147 1.00 0.00 H new ATOM 37 N THR A 3 2.750 8.013 0.184 1.00 0.00 N ATOM 38 CA THR A 3 3.621 6.861 0.377 1.00 0.00 C ATOM 39 C THR A 3 3.991 6.691 1.846 1.00 0.00 C ATOM 40 O THR A 3 5.094 7.042 2.263 1.00 0.00 O ATOM 41 CB THR A 3 4.912 6.988 -0.454 1.00 0.00 C ATOM 42 OG1 THR A 3 4.616 7.549 -1.737 1.00 0.00 O ATOM 43 CG2 THR A 3 5.578 5.631 -0.629 1.00 0.00 C ATOM 0 H THR A 3 1.820 7.784 -0.166 1.00 0.00 H new ATOM 0 HA THR A 3 3.066 5.985 0.041 1.00 0.00 H new ATOM 0 HB THR A 3 5.598 7.646 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.442 7.628 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.487 5.745 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.829 5.220 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.895 4.954 -1.143 1.00 0.00 H new ATOM 51 N ASP A 4 3.061 6.149 2.626 1.00 0.00 N ATOM 52 CA ASP A 4 3.290 5.931 4.049 1.00 0.00 C ATOM 53 C ASP A 4 3.706 4.487 4.318 1.00 0.00 C ATOM 54 O ASP A 4 3.489 3.960 5.409 1.00 0.00 O ATOM 55 CB ASP A 4 2.031 6.268 4.848 1.00 0.00 C ATOM 56 CG ASP A 4 2.322 7.159 6.040 1.00 0.00 C ATOM 57 OD1 ASP A 4 3.086 8.133 5.879 1.00 0.00 O ATOM 58 OD2 ASP A 4 1.787 6.882 7.134 1.00 0.00 O ATOM 0 H ASP A 4 2.142 5.853 2.296 1.00 0.00 H new ATOM 0 HA ASP A 4 4.099 6.589 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.312 6.763 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.566 5.345 5.193 1.00 0.00 H new ATOM 63 N VAL A 5 4.304 3.853 3.314 1.00 0.00 N ATOM 64 CA VAL A 5 4.750 2.471 3.441 1.00 0.00 C ATOM 65 C VAL A 5 5.981 2.371 4.336 1.00 0.00 C ATOM 66 O VAL A 5 6.347 1.284 4.784 1.00 0.00 O ATOM 67 CB VAL A 5 5.078 1.858 2.067 1.00 0.00 C ATOM 68 CG1 VAL A 5 5.384 0.374 2.203 1.00 0.00 C ATOM 69 CG2 VAL A 5 3.930 2.087 1.095 1.00 0.00 C ATOM 0 H VAL A 5 4.491 4.275 2.404 1.00 0.00 H new ATOM 0 HA VAL A 5 3.929 1.914 3.892 1.00 0.00 H new ATOM 0 HB VAL A 5 5.965 2.352 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.613 -0.042 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.240 0.238 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.518 -0.139 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.178 1.648 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.025 1.620 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.763 3.157 0.975 1.00 0.00 H new ATOM 79 N GLN A 6 6.614 3.511 4.592 1.00 0.00 N ATOM 80 CA GLN A 6 7.804 3.551 5.434 1.00 0.00 C ATOM 81 C GLN A 6 7.476 3.123 6.860 1.00 0.00 C ATOM 82 O GLN A 6 8.207 2.339 7.468 1.00 0.00 O ATOM 83 CB GLN A 6 8.406 4.957 5.436 1.00 0.00 C ATOM 84 CG GLN A 6 8.454 5.600 4.060 1.00 0.00 C ATOM 85 CD GLN A 6 9.088 4.701 3.017 1.00 0.00 C ATOM 86 OE1 GLN A 6 8.396 4.109 2.188 1.00 0.00 O ATOM 87 NE2 GLN A 6 10.411 4.594 3.052 1.00 0.00 N ATOM 0 H GLN A 6 6.323 4.419 4.229 1.00 0.00 H new ATOM 0 HA GLN A 6 8.533 2.852 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.824 5.592 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.417 4.910 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.442 5.855 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.014 6.533 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.945 5.103 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.893 4.003 2.374 1.00 0.00 H new ATOM 96 N LEU A 7 6.374 3.642 7.390 1.00 0.00 N ATOM 97 CA LEU A 7 5.949 3.314 8.746 1.00 0.00 C ATOM 98 C LEU A 7 5.828 1.805 8.929 1.00 0.00 C ATOM 99 O LEU A 7 6.076 1.278 10.013 1.00 0.00 O ATOM 100 CB LEU A 7 4.612 3.987 9.060 1.00 0.00 C ATOM 101 CG LEU A 7 3.913 3.528 10.340 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.755 4.690 11.308 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.560 2.912 10.018 1.00 0.00 C ATOM 0 H LEU A 7 5.758 4.292 6.901 1.00 0.00 H new ATOM 0 HA LEU A 7 6.706 3.685 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.776 5.063 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.937 3.818 8.221 1.00 0.00 H new ATOM 0 HG LEU A 7 4.532 2.767 10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.256 4.344 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.738 5.086 11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.158 5.474 10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.077 2.591 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.933 3.651 9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.698 2.052 9.363 1.00 0.00 H new ATOM 115 N ALA A 8 5.446 1.113 7.860 1.00 0.00 N ATOM 116 CA ALA A 8 5.296 -0.336 7.901 1.00 0.00 C ATOM 117 C ALA A 8 6.547 -1.002 8.463 1.00 0.00 C ATOM 118 O ALA A 8 6.462 -2.005 9.172 1.00 0.00 O ATOM 119 CB ALA A 8 4.988 -0.874 6.511 1.00 0.00 C ATOM 0 H ALA A 8 5.235 1.533 6.955 1.00 0.00 H new ATOM 0 HA ALA A 8 4.463 -0.572 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.878 -1.958 6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.061 -0.431 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.803 -0.620 5.834 1.00 0.00 H new ATOM 125 N ILE A 9 7.707 -0.439 8.141 1.00 0.00 N ATOM 126 CA ILE A 9 8.975 -0.978 8.615 1.00 0.00 C ATOM 127 C ILE A 9 9.107 -0.827 10.126 1.00 0.00 C ATOM 128 O ILE A 9 9.761 -1.635 10.787 1.00 0.00 O ATOM 129 CB ILE A 9 10.171 -0.286 7.935 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.043 -0.377 6.413 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.478 -0.908 8.401 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.087 0.427 5.669 1.00 0.00 C ATOM 0 H ILE A 9 7.794 0.390 7.554 1.00 0.00 H new ATOM 0 HA ILE A 9 8.983 -2.037 8.356 1.00 0.00 H new ATOM 0 HB ILE A 9 10.172 0.767 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.118 -1.422 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.052 -0.031 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.314 -0.408 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.570 -0.795 9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.488 -1.967 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.935 0.316 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.998 1.479 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.081 0.067 5.934 1.00 0.00 H new ATOM 144 N PHE A 10 8.479 0.211 10.668 1.00 0.00 N ATOM 145 CA PHE A 10 8.525 0.468 12.103 1.00 0.00 C ATOM 146 C PHE A 10 7.498 -0.385 12.842 1.00 0.00 C ATOM 147 O PHE A 10 7.690 -0.738 14.005 1.00 0.00 O ATOM 148 CB PHE A 10 8.272 1.950 12.386 1.00 0.00 C ATOM 149 CG PHE A 10 8.536 2.343 13.811 1.00 0.00 C ATOM 150 CD1 PHE A 10 9.822 2.639 14.234 1.00 0.00 C ATOM 151 CD2 PHE A 10 7.500 2.415 14.728 1.00 0.00 C ATOM 152 CE1 PHE A 10 10.069 3.001 15.545 1.00 0.00 C ATOM 153 CE2 PHE A 10 7.741 2.777 16.039 1.00 0.00 C ATOM 154 CZ PHE A 10 9.027 3.069 16.449 1.00 0.00 C ATOM 0 H PHE A 10 7.932 0.888 10.136 1.00 0.00 H new ATOM 0 HA PHE A 10 9.519 0.201 12.462 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.903 2.550 11.730 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.237 2.187 12.138 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.641 2.586 13.531 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.492 2.185 14.414 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.076 3.230 15.862 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.924 2.832 16.743 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.217 3.350 17.474 1.00 0.00 H new ATOM 164 N ALA A 11 6.407 -0.712 12.157 1.00 0.00 N ATOM 165 CA ALA A 11 5.350 -1.524 12.746 1.00 0.00 C ATOM 166 C ALA A 11 5.684 -3.009 12.657 1.00 0.00 C ATOM 167 O ALA A 11 5.469 -3.761 13.606 1.00 0.00 O ATOM 168 CB ALA A 11 4.021 -1.238 12.062 1.00 0.00 C ATOM 0 H ALA A 11 6.232 -0.427 11.193 1.00 0.00 H new ATOM 0 HA ALA A 11 5.268 -1.260 13.800 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.241 -1.852 12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.769 -0.184 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.100 -1.473 11.001 1.00 0.00 H new ATOM 174 N ASN A 12 6.211 -3.424 11.509 1.00 0.00 N ATOM 175 CA ASN A 12 6.574 -4.821 11.296 1.00 0.00 C ATOM 176 C ASN A 12 7.697 -5.241 12.240 1.00 0.00 C ATOM 177 O ASN A 12 7.720 -6.370 12.729 1.00 0.00 O ATOM 178 CB ASN A 12 7.003 -5.042 9.844 1.00 0.00 C ATOM 179 CG ASN A 12 6.492 -6.355 9.284 1.00 0.00 C ATOM 180 OD1 ASN A 12 7.274 -7.235 8.923 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.174 -6.493 9.209 1.00 0.00 N ATOM 0 H ASN A 12 6.396 -2.814 10.713 1.00 0.00 H new ATOM 0 HA ASN A 12 5.698 -5.435 11.506 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.634 -4.220 9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.091 -5.023 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.772 -7.355 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.564 -5.737 9.520 1.00 0.00 H new ATOM 188 N MET A 13 8.625 -4.324 12.491 1.00 0.00 N ATOM 189 CA MET A 13 9.750 -4.599 13.378 1.00 0.00 C ATOM 190 C MET A 13 9.297 -4.643 14.834 1.00 0.00 C ATOM 191 O MET A 13 9.827 -5.412 15.637 1.00 0.00 O ATOM 192 CB MET A 13 10.837 -3.537 13.202 1.00 0.00 C ATOM 193 CG MET A 13 11.762 -3.410 14.401 1.00 0.00 C ATOM 194 SD MET A 13 13.118 -2.257 14.113 1.00 0.00 S ATOM 195 CE MET A 13 12.833 -1.066 15.420 1.00 0.00 C ATOM 0 H MET A 13 8.621 -3.385 12.093 1.00 0.00 H new ATOM 0 HA MET A 13 10.159 -5.574 13.114 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.430 -3.779 12.320 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.365 -2.573 13.014 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.186 -3.079 15.266 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.170 -4.391 14.646 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.593 -0.286 15.374 1.00 0.00 H new ATOM 0 HE2 MET A 13 11.847 -0.619 15.296 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.885 -1.567 16.387 1.00 0.00 H new ATOM 205 N LEU A 14 8.314 -3.814 15.168 1.00 0.00 N ATOM 206 CA LEU A 14 7.790 -3.758 16.528 1.00 0.00 C ATOM 207 C LEU A 14 7.197 -5.102 16.938 1.00 0.00 C ATOM 208 O LEU A 14 7.005 -5.371 18.123 1.00 0.00 O ATOM 209 CB LEU A 14 6.727 -2.663 16.641 1.00 0.00 C ATOM 210 CG LEU A 14 6.745 -1.842 17.931 1.00 0.00 C ATOM 211 CD1 LEU A 14 8.043 -1.058 18.047 1.00 0.00 C ATOM 212 CD2 LEU A 14 5.548 -0.904 17.982 1.00 0.00 C ATOM 0 H LEU A 14 7.864 -3.172 14.516 1.00 0.00 H new ATOM 0 HA LEU A 14 8.616 -3.525 17.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.845 -1.982 15.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.745 -3.126 16.542 1.00 0.00 H new ATOM 0 HG LEU A 14 6.682 -2.527 18.776 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.038 -0.480 18.971 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.886 -1.749 18.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.137 -0.382 17.197 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.577 -0.327 18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.581 -0.225 17.130 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.627 -1.487 17.946 1.00 0.00 H new ATOM 224 N GLY A 15 6.910 -5.943 15.950 1.00 0.00 N ATOM 225 CA GLY A 15 6.344 -7.250 16.229 1.00 0.00 C ATOM 226 C GLY A 15 7.312 -8.377 15.928 1.00 0.00 C ATOM 227 O GLY A 15 7.376 -9.363 16.663 1.00 0.00 O ATOM 0 H GLY A 15 7.059 -5.743 14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.049 -7.299 17.277 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.439 -7.385 15.637 1.00 0.00 H new ATOM 231 N VAL A 16 8.066 -8.234 14.843 1.00 0.00 N ATOM 232 CA VAL A 16 9.035 -9.248 14.446 1.00 0.00 C ATOM 233 C VAL A 16 9.961 -9.606 15.603 1.00 0.00 C ATOM 234 O VAL A 16 10.525 -10.700 15.645 1.00 0.00 O ATOM 235 CB VAL A 16 9.884 -8.776 13.251 1.00 0.00 C ATOM 236 CG1 VAL A 16 11.123 -9.645 13.100 1.00 0.00 C ATOM 237 CG2 VAL A 16 9.057 -8.786 11.974 1.00 0.00 C ATOM 0 H VAL A 16 8.024 -7.425 14.223 1.00 0.00 H new ATOM 0 HA VAL A 16 8.467 -10.131 14.152 1.00 0.00 H new ATOM 0 HB VAL A 16 10.208 -7.753 13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.711 -9.296 12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.724 -9.582 14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.824 -10.680 12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.672 -8.450 11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.702 -9.798 11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.204 -8.118 12.088 1.00 0.00 H new ATOM 247 N SER A 17 10.113 -8.677 16.542 1.00 0.00 N ATOM 248 CA SER A 17 10.974 -8.893 17.699 1.00 0.00 C ATOM 249 C SER A 17 10.433 -10.019 18.575 1.00 0.00 C ATOM 250 O SER A 17 11.131 -10.996 18.852 1.00 0.00 O ATOM 251 CB SER A 17 11.095 -7.607 18.518 1.00 0.00 C ATOM 252 OG SER A 17 11.767 -6.597 17.785 1.00 0.00 O ATOM 0 H SER A 17 9.651 -7.768 16.524 1.00 0.00 H new ATOM 0 HA SER A 17 11.962 -9.179 17.338 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.102 -7.257 18.800 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.635 -7.810 19.443 1.00 0.00 H new ATOM 0 HG SER A 17 11.167 -6.236 17.099 1.00 0.00 H new ATOM 258 N LEU A 18 9.186 -9.875 19.010 1.00 0.00 N ATOM 259 CA LEU A 18 8.550 -10.879 19.855 1.00 0.00 C ATOM 260 C LEU A 18 8.386 -12.197 19.106 1.00 0.00 C ATOM 261 O LEU A 18 8.339 -13.267 19.714 1.00 0.00 O ATOM 262 CB LEU A 18 7.186 -10.379 20.336 1.00 0.00 C ATOM 263 CG LEU A 18 7.121 -8.912 20.764 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.739 -8.573 21.299 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.188 -8.614 21.807 1.00 0.00 C ATOM 0 H LEU A 18 8.595 -9.073 18.791 1.00 0.00 H new ATOM 0 HA LEU A 18 9.192 -11.051 20.719 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.462 -10.536 19.537 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.871 -10.996 21.177 1.00 0.00 H new ATOM 0 HG LEU A 18 7.312 -8.289 19.890 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.712 -7.525 21.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.995 -8.748 20.522 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.518 -9.203 22.161 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.127 -7.566 22.100 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.029 -9.245 22.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.173 -8.817 21.388 1.00 0.00 H new ATOM 277 N PHE A 19 8.302 -12.113 17.783 1.00 0.00 N ATOM 278 CA PHE A 19 8.145 -13.300 16.950 1.00 0.00 C ATOM 279 C PHE A 19 9.473 -14.036 16.795 1.00 0.00 C ATOM 280 O PHE A 19 9.638 -15.154 17.286 1.00 0.00 O ATOM 281 CB PHE A 19 7.600 -12.915 15.573 1.00 0.00 C ATOM 282 CG PHE A 19 7.324 -14.095 14.686 1.00 0.00 C ATOM 283 CD1 PHE A 19 6.930 -15.308 15.227 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.457 -13.990 13.311 1.00 0.00 C ATOM 285 CE1 PHE A 19 6.677 -16.395 14.413 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.204 -15.074 12.491 1.00 0.00 C ATOM 287 CZ PHE A 19 6.812 -16.278 13.043 1.00 0.00 C ATOM 0 H PHE A 19 8.340 -11.236 17.264 1.00 0.00 H new ATOM 0 HA PHE A 19 7.435 -13.966 17.441 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.680 -12.344 15.702 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.316 -12.258 15.078 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.819 -15.405 16.297 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.762 -13.050 12.875 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.374 -17.336 14.847 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.313 -14.980 11.421 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.611 -17.126 12.405 1.00 0.00 H new ATOM 297 N LEU A 20 10.418 -13.401 16.110 1.00 0.00 N ATOM 298 CA LEU A 20 11.732 -13.994 15.890 1.00 0.00 C ATOM 299 C LEU A 20 12.332 -14.492 17.201 1.00 0.00 C ATOM 300 O LEU A 20 13.051 -15.492 17.227 1.00 0.00 O ATOM 301 CB LEU A 20 12.671 -12.975 15.240 1.00 0.00 C ATOM 302 CG LEU A 20 13.322 -11.965 16.185 1.00 0.00 C ATOM 303 CD1 LEU A 20 14.637 -12.507 16.722 1.00 0.00 C ATOM 304 CD2 LEU A 20 13.539 -10.635 15.477 1.00 0.00 C ATOM 0 H LEU A 20 10.298 -12.476 15.698 1.00 0.00 H new ATOM 0 HA LEU A 20 11.611 -14.846 15.221 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.461 -13.518 14.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.111 -12.426 14.483 1.00 0.00 H new ATOM 0 HG LEU A 20 12.651 -11.799 17.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.086 -11.774 17.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.453 -13.433 17.267 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.316 -12.703 15.892 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.003 -9.928 16.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.190 -10.783 14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.580 -10.240 15.143 1.00 0.00 H new ATOM 316 N LEU A 21 12.031 -13.789 18.287 1.00 0.00 N ATOM 317 CA LEU A 21 12.539 -14.161 19.603 1.00 0.00 C ATOM 318 C LEU A 21 12.004 -15.524 20.028 1.00 0.00 C ATOM 319 O LEU A 21 12.765 -16.405 20.429 1.00 0.00 O ATOM 320 CB LEU A 21 12.151 -13.103 20.638 1.00 0.00 C ATOM 321 CG LEU A 21 13.102 -11.913 20.770 1.00 0.00 C ATOM 322 CD1 LEU A 21 12.508 -10.854 21.686 1.00 0.00 C ATOM 323 CD2 LEU A 21 14.458 -12.369 21.289 1.00 0.00 C ATOM 0 H LEU A 21 11.438 -12.959 18.283 1.00 0.00 H new ATOM 0 HA LEU A 21 13.626 -14.221 19.542 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.160 -12.725 20.387 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.070 -13.588 21.611 1.00 0.00 H new ATOM 0 HG LEU A 21 13.242 -11.473 19.783 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.199 -10.015 21.768 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.561 -10.506 21.273 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.338 -11.282 22.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.122 -11.509 21.377 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.336 -12.834 22.267 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.889 -13.091 20.595 1.00 0.00 H new ATOM 335 N VAL A 22 10.688 -15.693 19.936 1.00 0.00 N ATOM 336 CA VAL A 22 10.051 -16.951 20.308 1.00 0.00 C ATOM 337 C VAL A 22 10.464 -18.076 19.365 1.00 0.00 C ATOM 338 O VAL A 22 10.780 -19.182 19.802 1.00 0.00 O ATOM 339 CB VAL A 22 8.516 -16.827 20.299 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.871 -18.148 20.689 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.067 -15.710 21.230 1.00 0.00 C ATOM 0 H VAL A 22 10.043 -14.975 19.607 1.00 0.00 H new ATOM 0 HA VAL A 22 10.383 -17.187 21.319 1.00 0.00 H new ATOM 0 HB VAL A 22 8.195 -16.578 19.288 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.786 -18.041 20.677 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.167 -18.921 19.980 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.197 -18.430 21.690 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.980 -15.636 21.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.399 -15.927 22.245 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.500 -14.766 20.901 1.00 0.00 H new ATOM 351 N VAL A 23 10.459 -17.785 18.068 1.00 0.00 N ATOM 352 CA VAL A 23 10.835 -18.771 17.062 1.00 0.00 C ATOM 353 C VAL A 23 12.228 -19.329 17.332 1.00 0.00 C ATOM 354 O VAL A 23 12.422 -20.543 17.397 1.00 0.00 O ATOM 355 CB VAL A 23 10.801 -18.169 15.645 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.010 -19.253 14.599 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.490 -17.435 15.410 1.00 0.00 C ATOM 0 H VAL A 23 10.199 -16.874 17.689 1.00 0.00 H new ATOM 0 HA VAL A 23 10.105 -19.578 17.123 1.00 0.00 H new ATOM 0 HB VAL A 23 11.615 -17.450 15.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.983 -18.809 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.977 -19.730 14.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.220 -19.999 14.685 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.483 -17.016 14.404 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.659 -18.131 15.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.388 -16.631 16.139 1.00 0.00 H new ATOM 367 N LEU A 24 13.197 -18.433 17.490 1.00 0.00 N ATOM 368 CA LEU A 24 14.574 -18.835 17.754 1.00 0.00 C ATOM 369 C LEU A 24 14.702 -19.465 19.137 1.00 0.00 C ATOM 370 O LEU A 24 15.596 -20.276 19.381 1.00 0.00 O ATOM 371 CB LEU A 24 15.508 -17.629 17.643 1.00 0.00 C ATOM 372 CG LEU A 24 16.696 -17.784 16.692 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.626 -16.753 15.577 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.008 -17.662 17.453 1.00 0.00 C ATOM 0 H LEU A 24 13.054 -17.424 17.440 1.00 0.00 H new ATOM 0 HA LEU A 24 14.859 -19.578 17.009 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.921 -16.769 17.321 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.892 -17.399 18.637 1.00 0.00 H new ATOM 0 HG LEU A 24 16.650 -18.776 16.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.479 -16.879 14.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.703 -16.888 15.014 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.646 -15.751 16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.842 -17.775 16.760 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.062 -16.683 17.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.061 -18.440 18.214 1.00 0.00 H new ATOM 386 N TYR A 25 13.801 -19.090 20.038 1.00 0.00 N ATOM 387 CA TYR A 25 13.813 -19.618 21.397 1.00 0.00 C ATOM 388 C TYR A 25 13.391 -21.084 21.416 1.00 0.00 C ATOM 389 O TYR A 25 14.057 -21.927 22.018 1.00 0.00 O ATOM 390 CB TYR A 25 12.884 -18.798 22.294 1.00 0.00 C ATOM 391 CG TYR A 25 12.924 -19.212 23.748 1.00 0.00 C ATOM 392 CD1 TYR A 25 12.093 -20.216 24.228 1.00 0.00 C ATOM 393 CD2 TYR A 25 13.795 -18.599 24.641 1.00 0.00 C ATOM 394 CE1 TYR A 25 12.126 -20.597 25.555 1.00 0.00 C ATOM 395 CE2 TYR A 25 13.835 -18.974 25.970 1.00 0.00 C ATOM 396 CZ TYR A 25 12.999 -19.974 26.422 1.00 0.00 C ATOM 397 OH TYR A 25 13.036 -20.351 27.745 1.00 0.00 O ATOM 0 H TYR A 25 13.053 -18.422 19.852 1.00 0.00 H new ATOM 0 HA TYR A 25 14.832 -19.546 21.778 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.155 -17.745 22.217 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.862 -18.892 21.926 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.409 -20.707 23.552 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.451 -17.816 24.290 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.472 -21.379 25.912 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.517 -18.487 26.651 1.00 0.00 H new ATOM 0 HH TYR A 25 13.705 -19.815 28.219 1.00 0.00 H new ATOM 407 N HIS A 26 12.280 -21.382 20.750 1.00 0.00 N ATOM 408 CA HIS A 26 11.768 -22.746 20.687 1.00 0.00 C ATOM 409 C HIS A 26 12.738 -23.656 19.940 1.00 0.00 C ATOM 410 O HIS A 26 12.988 -24.788 20.355 1.00 0.00 O ATOM 411 CB HIS A 26 10.400 -22.770 20.005 1.00 0.00 C ATOM 412 CG HIS A 26 9.280 -23.153 20.922 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.714 -22.278 21.825 1.00 0.00 N ATOM 414 CD2 HIS A 26 8.619 -24.325 21.071 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.755 -22.896 22.491 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.677 -24.139 22.052 1.00 0.00 N ATOM 0 H HIS A 26 11.717 -20.697 20.246 1.00 0.00 H new ATOM 0 HA HIS A 26 11.663 -23.115 21.707 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.195 -21.785 19.586 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.431 -23.471 19.171 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.799 -25.237 20.521 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.139 -22.459 23.263 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.023 -24.846 22.387 1.00 0.00 H new ATOM 424 N TYR A 27 13.281 -23.155 18.836 1.00 0.00 N ATOM 425 CA TYR A 27 14.221 -23.924 18.030 1.00 0.00 C ATOM 426 C TYR A 27 15.486 -24.243 18.822 1.00 0.00 C ATOM 427 O TYR A 27 15.863 -25.405 18.971 1.00 0.00 O ATOM 428 CB TYR A 27 14.584 -23.154 16.758 1.00 0.00 C ATOM 429 CG TYR A 27 15.797 -23.704 16.043 1.00 0.00 C ATOM 430 CD1 TYR A 27 15.669 -24.699 15.081 1.00 0.00 C ATOM 431 CD2 TYR A 27 17.071 -23.230 16.329 1.00 0.00 C ATOM 432 CE1 TYR A 27 16.774 -25.204 14.424 1.00 0.00 C ATOM 433 CE2 TYR A 27 18.182 -23.729 15.676 1.00 0.00 C ATOM 434 CZ TYR A 27 18.028 -24.716 14.725 1.00 0.00 C ATOM 435 OH TYR A 27 19.133 -25.216 14.075 1.00 0.00 O ATOM 0 H TYR A 27 13.086 -22.220 18.479 1.00 0.00 H new ATOM 0 HA TYR A 27 13.740 -24.863 17.755 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.733 -23.171 16.077 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.766 -22.110 17.015 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.688 -25.084 14.843 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.195 -22.458 17.074 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.656 -25.977 13.679 1.00 0.00 H new ATOM 0 HE2 TYR A 27 19.165 -23.348 15.909 1.00 0.00 H new ATOM 0 HH TYR A 27 19.938 -24.764 14.403 1.00 0.00 H new ATOM 445 N VAL A 28 16.136 -23.201 19.330 1.00 0.00 N ATOM 446 CA VAL A 28 17.357 -23.368 20.109 1.00 0.00 C ATOM 447 C VAL A 28 17.100 -24.195 21.363 1.00 0.00 C ATOM 448 O VAL A 28 17.939 -24.996 21.774 1.00 0.00 O ATOM 449 CB VAL A 28 17.953 -22.008 20.518 1.00 0.00 C ATOM 450 CG1 VAL A 28 19.150 -22.203 21.436 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.341 -21.205 19.286 1.00 0.00 C ATOM 0 H VAL A 28 15.837 -22.232 19.216 1.00 0.00 H new ATOM 0 HA VAL A 28 18.069 -23.891 19.471 1.00 0.00 H new ATOM 0 HB VAL A 28 17.194 -21.448 21.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.557 -21.231 21.714 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.837 -22.736 22.334 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.915 -22.782 20.919 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.760 -20.247 19.593 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.083 -21.758 18.710 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.458 -21.034 18.670 1.00 0.00 H new ATOM 461 N ALA A 29 15.933 -23.996 21.968 1.00 0.00 N ATOM 462 CA ALA A 29 15.563 -24.726 23.174 1.00 0.00 C ATOM 463 C ALA A 29 15.379 -26.211 22.883 1.00 0.00 C ATOM 464 O ALA A 29 15.679 -27.060 23.722 1.00 0.00 O ATOM 465 CB ALA A 29 14.293 -24.143 23.775 1.00 0.00 C ATOM 0 H ALA A 29 15.228 -23.335 21.642 1.00 0.00 H new ATOM 0 HA ALA A 29 16.374 -24.622 23.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.028 -24.698 24.675 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.458 -23.096 24.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.481 -24.217 23.052 1.00 0.00 H new ATOM 471 N VAL A 30 14.884 -26.519 21.689 1.00 0.00 N ATOM 472 CA VAL A 30 14.660 -27.902 21.287 1.00 0.00 C ATOM 473 C VAL A 30 15.918 -28.506 20.672 1.00 0.00 C ATOM 474 O VAL A 30 16.077 -29.725 20.631 1.00 0.00 O ATOM 475 CB VAL A 30 13.504 -28.013 20.275 1.00 0.00 C ATOM 476 CG1 VAL A 30 13.349 -29.448 19.795 1.00 0.00 C ATOM 477 CG2 VAL A 30 12.208 -27.505 20.890 1.00 0.00 C ATOM 0 H VAL A 30 14.630 -25.829 20.982 1.00 0.00 H new ATOM 0 HA VAL A 30 14.398 -28.455 22.189 1.00 0.00 H new ATOM 0 HB VAL A 30 13.739 -27.391 19.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.528 -29.506 19.081 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.272 -29.772 19.314 1.00 0.00 H new ATOM 0 HG13 VAL A 30 13.137 -30.095 20.646 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.402 -27.591 20.162 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.966 -28.099 21.771 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.327 -26.461 21.179 1.00 0.00 H new ATOM 487 N ASN A 31 16.810 -27.643 20.196 1.00 0.00 N ATOM 488 CA ASN A 31 18.055 -28.092 19.583 1.00 0.00 C ATOM 489 C ASN A 31 19.183 -28.130 20.609 1.00 0.00 C ATOM 490 O ASN A 31 20.198 -28.795 20.405 1.00 0.00 O ATOM 491 CB ASN A 31 18.437 -27.171 18.422 1.00 0.00 C ATOM 492 CG ASN A 31 18.185 -27.810 17.070 1.00 0.00 C ATOM 493 OD1 ASN A 31 17.064 -27.460 16.450 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 18.989 -28.608 16.589 1.00 0.00 N flip ATOM 0 H ASN A 31 16.694 -26.630 20.223 1.00 0.00 H new ATOM 0 HA ASN A 31 17.900 -29.101 19.202 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.868 -26.244 18.495 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.491 -26.905 18.504 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.838 -28.848 17.101 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.806 -29.029 15.678 1.00 0.00 H new ATOM 501 N ASN A 32 18.998 -27.413 21.712 1.00 0.00 N ATOM 502 CA ASN A 32 20.000 -27.365 22.770 1.00 0.00 C ATOM 503 C ASN A 32 19.500 -28.075 24.025 1.00 0.00 C ATOM 504 O ASN A 32 18.415 -27.798 24.535 1.00 0.00 O ATOM 505 CB ASN A 32 20.354 -25.913 23.100 1.00 0.00 C ATOM 506 CG ASN A 32 20.992 -25.193 21.927 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.931 -25.661 20.790 1.00 0.00 O ATOM 508 ND2 ASN A 32 21.608 -24.049 22.200 1.00 0.00 N ATOM 0 H ASN A 32 18.163 -26.857 21.897 1.00 0.00 H new ATOM 0 HA ASN A 32 20.893 -27.879 22.414 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.452 -25.381 23.402 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.036 -25.892 23.950 1.00 0.00 H new ATOM 0 HD21 ASN A 32 22.056 -23.520 21.452 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.633 -23.699 23.158 1.00 0.00 H new ATOM 515 N PRO A 33 20.311 -29.014 24.535 1.00 0.00 N ATOM 516 CA PRO A 33 19.974 -29.783 25.736 1.00 0.00 C ATOM 517 C PRO A 33 20.006 -28.930 26.999 1.00 0.00 C ATOM 518 O PRO A 33 19.452 -29.308 28.032 1.00 0.00 O ATOM 519 CB PRO A 33 21.064 -30.857 25.788 1.00 0.00 C ATOM 520 CG PRO A 33 22.216 -30.262 25.054 1.00 0.00 C ATOM 521 CD PRO A 33 21.620 -29.397 23.979 1.00 0.00 C ATOM 0 HA PRO A 33 18.962 -30.185 25.691 1.00 0.00 H new ATOM 0 HB2 PRO A 33 21.332 -31.100 26.816 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.731 -31.783 25.319 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.844 -29.675 25.724 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.848 -31.039 24.624 1.00 0.00 H new ATOM 0 HD2 PRO A 33 22.241 -28.524 23.775 1.00 0.00 H new ATOM 0 HD3 PRO A 33 21.514 -29.939 23.039 1.00 0.00 H new ATOM 529 N LYS A 34 20.659 -27.776 26.911 1.00 0.00 N ATOM 530 CA LYS A 34 20.763 -26.866 28.046 1.00 0.00 C ATOM 531 C LYS A 34 20.135 -25.515 27.720 1.00 0.00 C ATOM 532 O LYS A 34 20.808 -24.485 27.740 1.00 0.00 O ATOM 533 CB LYS A 34 22.229 -26.677 28.441 1.00 0.00 C ATOM 534 CG LYS A 34 22.825 -27.874 29.162 1.00 0.00 C ATOM 535 CD LYS A 34 23.112 -29.016 28.202 1.00 0.00 C ATOM 536 CE LYS A 34 24.124 -29.991 28.783 1.00 0.00 C ATOM 537 NZ LYS A 34 24.270 -31.209 27.938 1.00 0.00 N ATOM 0 H LYS A 34 21.125 -27.449 26.065 1.00 0.00 H new ATOM 0 HA LYS A 34 20.221 -27.306 28.883 1.00 0.00 H new ATOM 0 HB2 LYS A 34 22.815 -26.475 27.544 1.00 0.00 H new ATOM 0 HB3 LYS A 34 22.314 -25.799 29.081 1.00 0.00 H new ATOM 0 HG2 LYS A 34 23.747 -27.577 29.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 22.137 -28.213 29.937 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.186 -29.544 27.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.489 -28.616 27.261 1.00 0.00 H new ATOM 0 HE2 LYS A 34 25.091 -29.497 28.878 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.814 -30.281 29.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.969 -31.848 28.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.353 -31.695 27.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.590 -30.935 26.987 1.00 0.00 H new ATOM 551 N LYS A 35 18.840 -25.527 27.422 1.00 0.00 N ATOM 552 CA LYS A 35 18.119 -24.303 27.094 1.00 0.00 C ATOM 553 C LYS A 35 18.409 -23.210 28.118 1.00 0.00 C ATOM 554 O LYS A 35 18.921 -23.484 29.203 1.00 0.00 O ATOM 555 CB LYS A 35 16.614 -24.573 27.034 1.00 0.00 C ATOM 556 CG LYS A 35 16.251 -25.816 26.240 1.00 0.00 C ATOM 557 CD LYS A 35 15.900 -26.978 27.154 1.00 0.00 C ATOM 558 CE LYS A 35 16.437 -28.294 26.614 1.00 0.00 C ATOM 559 NZ LYS A 35 15.895 -29.464 27.360 1.00 0.00 N ATOM 0 H LYS A 35 18.268 -26.371 27.401 1.00 0.00 H new ATOM 0 HA LYS A 35 18.460 -23.961 26.117 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.231 -24.676 28.049 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.116 -23.711 26.591 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.406 -25.598 25.587 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.086 -26.096 25.598 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.310 -26.797 28.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.817 -27.043 27.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.179 -28.385 25.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.525 -28.295 26.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.286 -30.341 26.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.162 -29.391 28.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.858 -29.478 27.278 1.00 0.00 H new ATOM 573 N GLN A 36 18.078 -21.972 27.765 1.00 0.00 N ATOM 574 CA GLN A 36 18.303 -20.838 28.655 1.00 0.00 C ATOM 575 C GLN A 36 17.582 -21.038 29.984 1.00 0.00 C ATOM 576 O GLN A 36 18.149 -20.799 31.049 1.00 0.00 O ATOM 577 CB GLN A 36 17.830 -19.543 27.994 1.00 0.00 C ATOM 578 CG GLN A 36 18.691 -18.337 28.333 1.00 0.00 C ATOM 579 CD GLN A 36 18.800 -18.100 29.827 1.00 0.00 C ATOM 580 OE1 GLN A 36 17.825 -17.727 30.481 1.00 0.00 O ATOM 581 NE2 GLN A 36 19.990 -18.315 30.375 1.00 0.00 N ATOM 0 H GLN A 36 17.654 -21.728 26.870 1.00 0.00 H new ATOM 0 HA GLN A 36 19.373 -20.768 28.850 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.820 -19.679 26.913 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.803 -19.343 28.299 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.689 -18.479 27.918 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.271 -17.450 27.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.770 -18.624 29.795 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.124 -18.172 31.376 1.00 0.00 H new ATOM 590 N GLU A 37 16.330 -21.478 29.912 1.00 0.00 N ATOM 591 CA GLU A 37 15.532 -21.708 31.111 1.00 0.00 C ATOM 592 C GLU A 37 14.588 -22.892 30.917 1.00 0.00 C ATOM 593 O GLU A 37 14.848 -23.778 30.104 1.00 0.00 O ATOM 594 CB GLU A 37 14.729 -20.454 31.464 1.00 0.00 C ATOM 595 CG GLU A 37 14.582 -20.228 32.960 1.00 0.00 C ATOM 596 CD GLU A 37 14.467 -18.759 33.318 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.528 -18.099 32.827 1.00 0.00 O ATOM 598 OE2 GLU A 37 15.317 -18.269 34.091 1.00 0.00 O ATOM 0 H GLU A 37 15.847 -21.682 29.037 1.00 0.00 H new ATOM 0 HA GLU A 37 16.212 -21.938 31.931 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.214 -19.585 31.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.738 -20.529 31.017 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.698 -20.756 33.319 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.441 -20.658 33.475 1.00 0.00 H new TER 605 GLU A 37