USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 Set 1.1: A 59 ASN : amide:sc= 0.408 K(o=0.47,f=-3.1) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -125:sc= 0.0609 (180deg=-0.0327) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 179:sc= 0.143 (180deg=-0.000376) USER MOD Set 2.2: A 27 GLN : amide:sc= 0.773 K(o=4.2,f=1.4) USER MOD Set 2.3: A 44 GLN : amide:sc= 0.00163 K(o=4.2,f=1.9) USER MOD Set 2.4: A 45 THR OG1 : rot -36:sc= 1.03 USER MOD Set 2.5: A 48 SER OG : rot 77:sc= 2.26 USER MOD Single : A 11 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= 0.18 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 18 GLN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0464) USER MOD Single : A 26 THR OG1 : rot 132:sc= 0.857 USER MOD Single : A 34 MET CE :methyl 168:sc= -1.51 (180deg=-2.01) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 53:sc= 1.03 USER MOD Single : A 40 ASN : amide:sc= 0.504 K(o=0.5,f=-8.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.383 USER MOD Single : A 46 THR OG1 : rot 45:sc= 0.243 USER MOD Single : A 54 ASN : amide:sc= 1.31 K(o=1.3,f=-5.9!) USER MOD Single : A 56 SER OG : rot -36:sc= 0.694 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0184) USER MOD Single : A 60 MET CE :methyl -170:sc= -0.561 (180deg=-0.906) USER MOD Single : A 61 CYS SG : rot -28:sc= 0.155 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.09) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0.94 (180deg=0.854) USER MOD Single : A 72 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 3.328 5.215 -4.889 1.00 0.00 N ATOM 2 CA ASP A 5 4.008 4.020 -4.406 1.00 0.00 C ATOM 3 C ASP A 5 4.608 4.255 -3.016 1.00 0.00 C ATOM 4 O ASP A 5 5.621 3.652 -2.668 1.00 0.00 O ATOM 5 CB ASP A 5 5.090 3.604 -5.415 1.00 0.00 C ATOM 6 CG ASP A 5 6.289 4.554 -5.408 1.00 0.00 C ATOM 7 OD1 ASP A 5 6.051 5.770 -5.579 1.00 0.00 O ATOM 8 OD2 ASP A 5 7.418 4.050 -5.226 1.00 0.00 O ATOM 0 HA ASP A 5 3.284 3.211 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.429 2.594 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.658 3.575 -6.415 1.00 0.00 H new ATOM 15 N LEU A 6 3.992 5.152 -2.238 1.00 0.00 N ATOM 16 CA LEU A 6 4.504 5.666 -0.972 1.00 0.00 C ATOM 17 C LEU A 6 5.106 4.551 -0.113 1.00 0.00 C ATOM 18 O LEU A 6 6.265 4.627 0.282 1.00 0.00 O ATOM 19 CB LEU A 6 3.393 6.411 -0.217 1.00 0.00 C ATOM 20 CG LEU A 6 3.180 7.852 -0.716 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.577 7.926 -2.123 1.00 0.00 C ATOM 22 CD2 LEU A 6 2.253 8.587 0.261 1.00 0.00 C ATOM 0 H LEU A 6 3.088 5.553 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 6 5.308 6.369 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.460 5.857 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.637 6.434 0.845 1.00 0.00 H new ATOM 0 HG LEU A 6 4.163 8.320 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.454 8.970 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.242 7.430 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.606 7.431 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.097 9.609 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.295 8.070 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.708 8.605 1.251 1.00 0.00 H new ATOM 34 N GLU A 7 4.324 3.499 0.136 1.00 0.00 N ATOM 35 CA GLU A 7 4.713 2.353 0.945 1.00 0.00 C ATOM 36 C GLU A 7 6.060 1.782 0.485 1.00 0.00 C ATOM 37 O GLU A 7 6.937 1.498 1.303 1.00 0.00 O ATOM 38 CB GLU A 7 3.619 1.274 0.881 1.00 0.00 C ATOM 39 CG GLU A 7 2.313 1.663 1.598 1.00 0.00 C ATOM 40 CD GLU A 7 1.505 2.769 0.918 1.00 0.00 C ATOM 41 OE1 GLU A 7 1.668 2.935 -0.311 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.744 3.440 1.646 1.00 0.00 O ATOM 0 H GLU A 7 3.376 3.423 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 7 4.828 2.683 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.397 1.058 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.004 0.354 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.685 0.776 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.554 1.982 2.612 1.00 0.00 H new ATOM 49 N GLU A 8 6.221 1.595 -0.826 1.00 0.00 N ATOM 50 CA GLU A 8 7.450 1.077 -1.406 1.00 0.00 C ATOM 51 C GLU A 8 8.546 2.133 -1.257 1.00 0.00 C ATOM 52 O GLU A 8 9.670 1.813 -0.889 1.00 0.00 O ATOM 53 CB GLU A 8 7.237 0.705 -2.882 1.00 0.00 C ATOM 54 CG GLU A 8 6.258 -0.464 -3.084 1.00 0.00 C ATOM 55 CD GLU A 8 4.821 -0.153 -2.666 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.359 0.965 -2.987 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.217 -1.028 -2.011 1.00 0.00 O ATOM 0 H GLU A 8 5.496 1.801 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 8 7.751 0.170 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.864 1.578 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.198 0.445 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.265 -0.752 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.613 -1.324 -2.515 1.00 0.00 H new ATOM 64 N LEU A 9 8.207 3.389 -1.542 1.00 0.00 N ATOM 65 CA LEU A 9 9.075 4.550 -1.431 1.00 0.00 C ATOM 66 C LEU A 9 9.765 4.624 -0.069 1.00 0.00 C ATOM 67 O LEU A 9 10.984 4.769 -0.034 1.00 0.00 O ATOM 68 CB LEU A 9 8.245 5.818 -1.708 1.00 0.00 C ATOM 69 CG LEU A 9 8.815 6.643 -2.859 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.814 7.737 -3.242 1.00 0.00 C ATOM 71 CD2 LEU A 9 10.150 7.268 -2.453 1.00 0.00 C ATOM 0 H LEU A 9 7.273 3.632 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 9 9.872 4.465 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.219 5.534 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.210 6.431 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 9 8.987 5.993 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.218 8.328 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.875 7.279 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.636 8.384 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.545 7.853 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.000 7.917 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.858 6.480 -2.196 1.00 0.00 H new ATOM 83 N GLU A 10 9.023 4.533 1.042 1.00 0.00 N ATOM 84 CA GLU A 10 9.638 4.699 2.365 1.00 0.00 C ATOM 85 C GLU A 10 10.727 3.645 2.561 1.00 0.00 C ATOM 86 O GLU A 10 11.892 3.951 2.827 1.00 0.00 O ATOM 87 CB GLU A 10 8.636 4.631 3.542 1.00 0.00 C ATOM 88 CG GLU A 10 7.151 4.828 3.225 1.00 0.00 C ATOM 89 CD GLU A 10 6.789 6.207 2.671 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.715 6.947 2.274 1.00 0.00 O ATOM 91 OE2 GLU A 10 5.575 6.502 2.664 1.00 0.00 O ATOM 0 H GLU A 10 8.020 4.350 1.054 1.00 0.00 H new ATOM 0 HA GLU A 10 10.058 5.705 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.750 3.660 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.926 5.386 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.845 4.071 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.574 4.654 4.133 1.00 0.00 H new ATOM 98 N GLN A 11 10.303 2.388 2.417 1.00 0.00 N ATOM 99 CA GLN A 11 11.164 1.224 2.546 1.00 0.00 C ATOM 100 C GLN A 11 12.384 1.393 1.643 1.00 0.00 C ATOM 101 O GLN A 11 13.520 1.315 2.103 1.00 0.00 O ATOM 102 CB GLN A 11 10.373 -0.040 2.185 1.00 0.00 C ATOM 103 CG GLN A 11 9.278 -0.337 3.217 1.00 0.00 C ATOM 104 CD GLN A 11 8.401 -1.496 2.760 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.599 -2.635 3.166 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.424 -1.214 1.905 1.00 0.00 N ATOM 0 H GLN A 11 9.334 2.153 2.204 1.00 0.00 H new ATOM 0 HA GLN A 11 11.511 1.126 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.922 0.082 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.053 -0.889 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.733 -0.577 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.664 0.551 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.286 -0.255 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.812 -1.957 1.567 1.00 0.00 H new ATOM 115 N PHE A 12 12.138 1.651 0.360 1.00 0.00 N ATOM 116 CA PHE A 12 13.159 1.877 -0.647 1.00 0.00 C ATOM 117 C PHE A 12 14.159 2.936 -0.185 1.00 0.00 C ATOM 118 O PHE A 12 15.361 2.694 -0.202 1.00 0.00 O ATOM 119 CB PHE A 12 12.501 2.278 -1.972 1.00 0.00 C ATOM 120 CG PHE A 12 13.507 2.653 -3.036 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.152 1.641 -3.772 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.950 3.986 -3.133 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.227 1.960 -4.616 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.076 4.287 -3.921 1.00 0.00 C ATOM 125 CZ PHE A 12 15.702 3.281 -4.675 1.00 0.00 C ATOM 0 H PHE A 12 11.191 1.709 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 12 13.713 0.951 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.888 1.452 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.831 3.120 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.819 0.617 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.429 4.772 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.688 1.192 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.461 5.296 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.549 3.523 -5.300 1.00 0.00 H new ATOM 135 N ALA A 13 13.680 4.111 0.222 1.00 0.00 N ATOM 136 CA ALA A 13 14.536 5.223 0.608 1.00 0.00 C ATOM 137 C ALA A 13 15.458 4.814 1.760 1.00 0.00 C ATOM 138 O ALA A 13 16.672 5.010 1.691 1.00 0.00 O ATOM 139 CB ALA A 13 13.672 6.441 0.946 1.00 0.00 C ATOM 0 H ALA A 13 12.683 4.315 0.292 1.00 0.00 H new ATOM 0 HA ALA A 13 15.183 5.500 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.314 7.273 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.083 6.723 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.003 6.195 1.771 1.00 0.00 H new ATOM 145 N LYS A 14 14.894 4.192 2.798 1.00 0.00 N ATOM 146 CA LYS A 14 15.672 3.676 3.922 1.00 0.00 C ATOM 147 C LYS A 14 16.636 2.570 3.478 1.00 0.00 C ATOM 148 O LYS A 14 17.762 2.468 3.973 1.00 0.00 O ATOM 149 CB LYS A 14 14.698 3.212 5.017 1.00 0.00 C ATOM 150 CG LYS A 14 15.365 2.682 6.293 1.00 0.00 C ATOM 151 CD LYS A 14 16.315 3.707 6.922 1.00 0.00 C ATOM 152 CE LYS A 14 16.829 3.213 8.277 1.00 0.00 C ATOM 153 NZ LYS A 14 17.752 4.192 8.878 1.00 0.00 N ATOM 0 H LYS A 14 13.890 4.033 2.881 1.00 0.00 H new ATOM 0 HA LYS A 14 16.304 4.465 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.049 4.047 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.059 2.430 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.596 2.411 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.918 1.772 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.156 3.888 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.798 4.658 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.988 3.040 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.338 2.257 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.677 3.745 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.865 5.002 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.366 4.521 9.786 1.00 0.00 H new ATOM 167 N THR A 15 16.204 1.732 2.542 1.00 0.00 N ATOM 168 CA THR A 15 17.038 0.682 1.975 1.00 0.00 C ATOM 169 C THR A 15 18.192 1.302 1.191 1.00 0.00 C ATOM 170 O THR A 15 19.296 0.772 1.221 1.00 0.00 O ATOM 171 CB THR A 15 16.205 -0.288 1.127 1.00 0.00 C ATOM 172 OG1 THR A 15 15.177 -0.837 1.925 1.00 0.00 O ATOM 173 CG2 THR A 15 17.042 -1.453 0.591 1.00 0.00 C ATOM 0 H THR A 15 15.261 1.763 2.154 1.00 0.00 H new ATOM 0 HA THR A 15 17.468 0.091 2.783 1.00 0.00 H new ATOM 0 HB THR A 15 15.808 0.279 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.527 -0.138 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.409 -2.113 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.848 -1.065 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.465 -2.011 1.426 1.00 0.00 H new ATOM 181 N PHE A 16 17.961 2.422 0.499 1.00 0.00 N ATOM 182 CA PHE A 16 18.957 3.026 -0.365 1.00 0.00 C ATOM 183 C PHE A 16 20.242 3.335 0.406 1.00 0.00 C ATOM 184 O PHE A 16 21.324 2.994 -0.069 1.00 0.00 O ATOM 185 CB PHE A 16 18.392 4.234 -1.131 1.00 0.00 C ATOM 186 CG PHE A 16 19.405 4.806 -2.101 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.569 4.184 -3.349 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.283 5.839 -1.713 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.593 4.598 -4.214 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.304 6.263 -2.588 1.00 0.00 C ATOM 191 CZ PHE A 16 21.469 5.629 -3.831 1.00 0.00 C ATOM 0 H PHE A 16 17.076 2.928 0.528 1.00 0.00 H new ATOM 0 HA PHE A 16 19.230 2.300 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.497 3.933 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.091 5.006 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.905 3.385 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 16 20.173 6.306 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.709 4.123 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.958 7.074 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.268 5.933 -4.491 1.00 0.00 H new ATOM 201 N LYS A 17 20.148 3.915 1.611 1.00 0.00 N ATOM 202 CA LYS A 17 21.358 4.132 2.405 1.00 0.00 C ATOM 203 C LYS A 17 22.069 2.806 2.698 1.00 0.00 C ATOM 204 O LYS A 17 23.277 2.689 2.511 1.00 0.00 O ATOM 205 CB LYS A 17 21.067 4.876 3.716 1.00 0.00 C ATOM 206 CG LYS A 17 21.043 6.399 3.535 1.00 0.00 C ATOM 207 CD LYS A 17 21.135 7.061 4.920 1.00 0.00 C ATOM 208 CE LYS A 17 20.998 8.586 4.864 1.00 0.00 C ATOM 209 NZ LYS A 17 22.055 9.221 4.060 1.00 0.00 N ATOM 0 H LYS A 17 19.279 4.231 2.042 1.00 0.00 H new ATOM 0 HA LYS A 17 22.016 4.762 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.107 4.545 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 21.824 4.613 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.875 6.718 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 17 20.127 6.705 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.355 6.655 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.091 6.804 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 17 20.025 8.844 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.027 8.987 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.906 10.250 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.983 9.013 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.024 8.849 3.089 1.00 0.00 H new ATOM 223 N GLN A 18 21.330 1.804 3.174 1.00 0.00 N ATOM 224 CA GLN A 18 21.910 0.517 3.537 1.00 0.00 C ATOM 225 C GLN A 18 22.601 -0.122 2.326 1.00 0.00 C ATOM 226 O GLN A 18 23.737 -0.580 2.416 1.00 0.00 O ATOM 227 CB GLN A 18 20.814 -0.382 4.120 1.00 0.00 C ATOM 228 CG GLN A 18 20.319 0.167 5.465 1.00 0.00 C ATOM 229 CD GLN A 18 19.023 -0.512 5.886 1.00 0.00 C ATOM 230 OE1 GLN A 18 19.037 -1.525 6.576 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.890 0.041 5.469 1.00 0.00 N ATOM 0 H GLN A 18 20.322 1.863 3.317 1.00 0.00 H new ATOM 0 HA GLN A 18 22.677 0.656 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.981 -0.448 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.199 -1.393 4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.081 0.010 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.162 1.243 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.915 0.884 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.995 -0.378 5.722 1.00 0.00 H new ATOM 240 N ARG A 19 21.924 -0.131 1.179 1.00 0.00 N ATOM 241 CA ARG A 19 22.446 -0.690 -0.055 1.00 0.00 C ATOM 242 C ARG A 19 23.684 0.089 -0.510 1.00 0.00 C ATOM 243 O ARG A 19 24.689 -0.511 -0.883 1.00 0.00 O ATOM 244 CB ARG A 19 21.339 -0.698 -1.118 1.00 0.00 C ATOM 245 CG ARG A 19 21.757 -1.439 -2.394 1.00 0.00 C ATOM 246 CD ARG A 19 21.783 -2.963 -2.234 1.00 0.00 C ATOM 247 NE ARG A 19 22.389 -3.592 -3.414 1.00 0.00 N ATOM 248 CZ ARG A 19 23.705 -3.746 -3.611 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.587 -3.302 -2.707 1.00 0.00 N ATOM 250 NH2 ARG A 19 24.134 -4.341 -4.728 1.00 0.00 N ATOM 0 H ARG A 19 20.985 0.256 1.085 1.00 0.00 H new ATOM 0 HA ARG A 19 22.762 -1.720 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.446 -1.167 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.073 0.329 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.070 -1.178 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 19 22.747 -1.096 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.347 -3.232 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.769 -3.338 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 19 21.760 -3.938 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.259 -2.841 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.587 -3.425 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.462 -4.672 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.134 -4.464 -4.889 1.00 0.00 H new ATOM 264 N ARG A 20 23.622 1.422 -0.467 1.00 0.00 N ATOM 265 CA ARG A 20 24.757 2.290 -0.755 1.00 0.00 C ATOM 266 C ARG A 20 25.955 1.908 0.126 1.00 0.00 C ATOM 267 O ARG A 20 27.078 1.773 -0.365 1.00 0.00 O ATOM 268 CB ARG A 20 24.332 3.752 -0.546 1.00 0.00 C ATOM 269 CG ARG A 20 25.511 4.710 -0.715 1.00 0.00 C ATOM 270 CD ARG A 20 25.137 6.156 -0.366 1.00 0.00 C ATOM 271 NE ARG A 20 24.785 6.305 1.053 1.00 0.00 N ATOM 272 CZ ARG A 20 25.653 6.277 2.076 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.960 6.083 1.868 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.199 6.452 3.321 1.00 0.00 N ATOM 0 H ARG A 20 22.771 1.931 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 20 25.071 2.168 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.548 4.009 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.907 3.869 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.334 4.386 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.867 4.667 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.973 6.814 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.296 6.472 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 20 23.800 6.441 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.312 5.953 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.605 6.065 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.204 6.604 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.848 6.433 4.108 1.00 0.00 H new ATOM 288 N ILE A 21 25.723 1.750 1.430 1.00 0.00 N ATOM 289 CA ILE A 21 26.752 1.341 2.376 1.00 0.00 C ATOM 290 C ILE A 21 27.273 -0.054 2.007 1.00 0.00 C ATOM 291 O ILE A 21 28.478 -0.283 2.054 1.00 0.00 O ATOM 292 CB ILE A 21 26.219 1.448 3.819 1.00 0.00 C ATOM 293 CG1 ILE A 21 26.029 2.934 4.182 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.180 0.786 4.820 1.00 0.00 C ATOM 295 CD1 ILE A 21 25.128 3.137 5.404 1.00 0.00 C ATOM 0 H ILE A 21 24.810 1.904 1.858 1.00 0.00 H new ATOM 0 HA ILE A 21 27.608 2.013 2.321 1.00 0.00 H new ATOM 0 HB ILE A 21 25.264 0.925 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 27.003 3.383 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.600 3.460 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.776 0.878 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.295 -0.269 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.151 1.278 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 21 25.031 4.203 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 21 24.143 2.715 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.568 2.638 6.267 1.00 0.00 H new ATOM 307 N LYS A 22 26.393 -0.977 1.607 1.00 0.00 N ATOM 308 CA LYS A 22 26.799 -2.303 1.153 1.00 0.00 C ATOM 309 C LYS A 22 27.703 -2.215 -0.086 1.00 0.00 C ATOM 310 O LYS A 22 28.702 -2.925 -0.161 1.00 0.00 O ATOM 311 CB LYS A 22 25.564 -3.191 0.933 1.00 0.00 C ATOM 312 CG LYS A 22 25.886 -4.610 0.440 1.00 0.00 C ATOM 313 CD LYS A 22 26.778 -5.383 1.422 1.00 0.00 C ATOM 314 CE LYS A 22 26.952 -6.845 0.994 1.00 0.00 C ATOM 315 NZ LYS A 22 27.648 -6.957 -0.302 1.00 0.00 N ATOM 0 H LYS A 22 25.385 -0.824 1.590 1.00 0.00 H new ATOM 0 HA LYS A 22 27.400 -2.776 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.010 -3.261 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 22 24.908 -2.708 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.956 -5.159 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 26.383 -4.551 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.754 -4.902 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.341 -5.345 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.515 -7.383 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.974 -7.322 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.822 -7.960 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.058 -6.540 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.555 -6.451 -0.254 1.00 0.00 H new ATOM 329 N LEU A 23 27.370 -1.358 -1.059 1.00 0.00 N ATOM 330 CA LEU A 23 28.278 -1.068 -2.172 1.00 0.00 C ATOM 331 C LEU A 23 29.579 -0.452 -1.648 1.00 0.00 C ATOM 332 O LEU A 23 30.658 -0.725 -2.169 1.00 0.00 O ATOM 333 CB LEU A 23 27.637 -0.117 -3.197 1.00 0.00 C ATOM 334 CG LEU A 23 26.414 -0.686 -3.929 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.772 0.409 -4.788 1.00 0.00 C ATOM 336 CD2 LEU A 23 26.784 -1.867 -4.835 1.00 0.00 C ATOM 0 H LEU A 23 26.483 -0.856 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 23 28.493 -2.013 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.343 0.800 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.389 0.158 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 23 25.717 -1.041 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.904 0.002 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.459 1.235 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.496 0.769 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.888 -2.238 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.506 -1.539 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.221 -2.664 -4.234 1.00 0.00 H new ATOM 348 N GLY A 24 29.463 0.397 -0.627 1.00 0.00 N ATOM 349 CA GLY A 24 30.572 1.102 -0.010 1.00 0.00 C ATOM 350 C GLY A 24 30.842 2.409 -0.744 1.00 0.00 C ATOM 351 O GLY A 24 31.993 2.827 -0.858 1.00 0.00 O ATOM 0 H GLY A 24 28.564 0.616 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.345 1.305 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.464 0.476 -0.027 1.00 0.00 H new ATOM 355 N PHE A 25 29.782 3.067 -1.226 1.00 0.00 N ATOM 356 CA PHE A 25 29.898 4.336 -1.934 1.00 0.00 C ATOM 357 C PHE A 25 29.474 5.479 -1.021 1.00 0.00 C ATOM 358 O PHE A 25 28.426 5.434 -0.381 1.00 0.00 O ATOM 359 CB PHE A 25 29.096 4.296 -3.241 1.00 0.00 C ATOM 360 CG PHE A 25 29.598 3.315 -4.291 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.978 3.090 -4.484 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.677 2.710 -5.166 1.00 0.00 C ATOM 363 CE1 PHE A 25 31.420 2.215 -5.491 1.00 0.00 C ATOM 364 CE2 PHE A 25 29.121 1.853 -6.188 1.00 0.00 C ATOM 365 CZ PHE A 25 30.492 1.591 -6.340 1.00 0.00 C ATOM 0 H PHE A 25 28.823 2.731 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 25 30.938 4.509 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.061 4.049 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 25 29.093 5.296 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.698 3.593 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.621 2.906 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 25 32.476 2.022 -5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.407 1.396 -6.857 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.832 0.912 -7.108 1.00 0.00 H new ATOM 375 N THR A 26 30.312 6.507 -0.931 1.00 0.00 N ATOM 376 CA THR A 26 30.099 7.625 -0.039 1.00 0.00 C ATOM 377 C THR A 26 28.972 8.516 -0.558 1.00 0.00 C ATOM 378 O THR A 26 28.658 8.516 -1.756 1.00 0.00 O ATOM 379 CB THR A 26 31.418 8.407 0.059 1.00 0.00 C ATOM 380 OG1 THR A 26 31.812 8.829 -1.233 1.00 0.00 O ATOM 381 CG2 THR A 26 32.529 7.529 0.646 1.00 0.00 C ATOM 0 H THR A 26 31.166 6.581 -1.485 1.00 0.00 H new ATOM 0 HA THR A 26 29.803 7.272 0.949 1.00 0.00 H new ATOM 0 HB THR A 26 31.259 9.266 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 26 32.051 9.779 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 26 33.453 8.104 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.242 7.198 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.683 6.660 0.006 1.00 0.00 H new ATOM 389 N GLN A 27 28.401 9.322 0.342 1.00 0.00 N ATOM 390 CA GLN A 27 27.499 10.411 -0.005 1.00 0.00 C ATOM 391 C GLN A 27 28.351 11.526 -0.625 1.00 0.00 C ATOM 392 O GLN A 27 28.582 12.576 -0.028 1.00 0.00 O ATOM 393 CB GLN A 27 26.746 10.870 1.249 1.00 0.00 C ATOM 394 CG GLN A 27 25.760 9.797 1.729 1.00 0.00 C ATOM 395 CD GLN A 27 24.860 10.300 2.854 1.00 0.00 C ATOM 396 OE1 GLN A 27 24.951 9.835 3.986 1.00 0.00 O ATOM 397 NE2 GLN A 27 23.962 11.235 2.555 1.00 0.00 N ATOM 0 H GLN A 27 28.558 9.230 1.346 1.00 0.00 H new ATOM 0 HA GLN A 27 26.742 10.103 -0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 27 27.459 11.094 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 27 26.207 11.793 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 27 25.143 9.472 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 27 26.315 8.924 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 27 23.907 11.605 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 27 23.328 11.582 3.275 1.00 0.00 H new ATOM 406 N GLY A 28 28.879 11.230 -1.811 1.00 0.00 N ATOM 407 CA GLY A 28 29.890 11.991 -2.518 1.00 0.00 C ATOM 408 C GLY A 28 30.236 11.198 -3.773 1.00 0.00 C ATOM 409 O GLY A 28 30.015 11.677 -4.883 1.00 0.00 O ATOM 0 H GLY A 28 28.590 10.401 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 28 29.518 12.982 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 28 30.773 12.134 -1.895 1.00 0.00 H new ATOM 413 N ASP A 29 30.684 9.947 -3.604 1.00 0.00 N ATOM 414 CA ASP A 29 30.830 9.019 -4.720 1.00 0.00 C ATOM 415 C ASP A 29 29.484 8.859 -5.427 1.00 0.00 C ATOM 416 O ASP A 29 29.399 9.021 -6.644 1.00 0.00 O ATOM 417 CB ASP A 29 31.345 7.661 -4.232 1.00 0.00 C ATOM 418 CG ASP A 29 31.494 6.684 -5.394 1.00 0.00 C ATOM 419 OD1 ASP A 29 30.460 6.096 -5.778 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.638 6.549 -5.879 1.00 0.00 O ATOM 0 H ASP A 29 30.951 9.559 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 29 31.560 9.421 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 29 32.306 7.790 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.656 7.251 -3.493 1.00 0.00 H new ATOM 425 N VAL A 30 28.422 8.585 -4.658 1.00 0.00 N ATOM 426 CA VAL A 30 27.077 8.526 -5.219 1.00 0.00 C ATOM 427 C VAL A 30 26.758 9.836 -5.937 1.00 0.00 C ATOM 428 O VAL A 30 26.223 9.814 -7.040 1.00 0.00 O ATOM 429 CB VAL A 30 26.033 8.184 -4.141 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.602 8.274 -4.691 1.00 0.00 C ATOM 431 CG2 VAL A 30 26.265 6.758 -3.631 1.00 0.00 C ATOM 0 H VAL A 30 28.472 8.403 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 30 27.035 7.720 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 30 26.147 8.907 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.893 8.026 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.411 9.287 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.485 7.573 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.524 6.519 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 26.172 6.056 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 30 27.264 6.683 -3.202 1.00 0.00 H new ATOM 441 N GLY A 31 27.110 10.972 -5.333 1.00 0.00 N ATOM 442 CA GLY A 31 26.946 12.275 -5.952 1.00 0.00 C ATOM 443 C GLY A 31 27.604 12.334 -7.332 1.00 0.00 C ATOM 444 O GLY A 31 26.973 12.737 -8.305 1.00 0.00 O ATOM 0 H GLY A 31 27.517 11.007 -4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.884 12.502 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.380 13.040 -5.309 1.00 0.00 H new ATOM 448 N LEU A 32 28.873 11.931 -7.423 1.00 0.00 N ATOM 449 CA LEU A 32 29.634 11.935 -8.667 1.00 0.00 C ATOM 450 C LEU A 32 28.954 11.049 -9.706 1.00 0.00 C ATOM 451 O LEU A 32 28.688 11.468 -10.832 1.00 0.00 O ATOM 452 CB LEU A 32 31.057 11.440 -8.387 1.00 0.00 C ATOM 453 CG LEU A 32 32.005 11.523 -9.596 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.211 12.964 -10.078 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.359 10.924 -9.204 1.00 0.00 C ATOM 0 H LEU A 32 29.405 11.589 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 32 29.678 12.949 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.478 12.024 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 31.009 10.405 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 32 31.552 10.966 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.888 12.969 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.252 13.390 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.640 13.559 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 34.040 10.977 -10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.777 11.485 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.225 9.883 -8.911 1.00 0.00 H new ATOM 467 N ALA A 33 28.685 9.807 -9.309 1.00 0.00 N ATOM 468 CA ALA A 33 28.032 8.822 -10.158 1.00 0.00 C ATOM 469 C ALA A 33 26.696 9.360 -10.684 1.00 0.00 C ATOM 470 O ALA A 33 26.417 9.294 -11.880 1.00 0.00 O ATOM 471 CB ALA A 33 27.865 7.515 -9.378 1.00 0.00 C ATOM 0 H ALA A 33 28.918 9.456 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 33 28.651 8.619 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.376 6.774 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.844 7.144 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.256 7.695 -8.492 1.00 0.00 H new ATOM 477 N MET A 34 25.869 9.918 -9.798 1.00 0.00 N ATOM 478 CA MET A 34 24.621 10.558 -10.184 1.00 0.00 C ATOM 479 C MET A 34 24.894 11.702 -11.150 1.00 0.00 C ATOM 480 O MET A 34 24.208 11.820 -12.157 1.00 0.00 O ATOM 481 CB MET A 34 23.875 11.074 -8.950 1.00 0.00 C ATOM 482 CG MET A 34 23.383 9.925 -8.061 1.00 0.00 C ATOM 483 SD MET A 34 21.630 9.493 -8.159 1.00 0.00 S ATOM 484 CE MET A 34 21.335 9.466 -9.934 1.00 0.00 C ATOM 0 H MET A 34 26.050 9.936 -8.794 1.00 0.00 H new ATOM 0 HA MET A 34 23.994 9.818 -10.682 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.533 11.724 -8.373 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.025 11.679 -9.266 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.964 9.036 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.611 10.178 -7.026 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.365 9.011 -10.135 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.344 10.485 -10.320 1.00 0.00 H new ATOM 0 HE3 MET A 34 22.117 8.886 -10.424 1.00 0.00 H new ATOM 494 N GLY A 35 25.897 12.526 -10.852 1.00 0.00 N ATOM 495 CA GLY A 35 26.438 13.536 -11.750 1.00 0.00 C ATOM 496 C GLY A 35 26.605 12.991 -13.162 1.00 0.00 C ATOM 497 O GLY A 35 26.089 13.568 -14.116 1.00 0.00 O ATOM 0 H GLY A 35 26.369 12.506 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.776 14.401 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.402 13.880 -11.375 1.00 0.00 H new ATOM 501 N LYS A 36 27.321 11.874 -13.287 1.00 0.00 N ATOM 502 CA LYS A 36 27.567 11.240 -14.572 1.00 0.00 C ATOM 503 C LYS A 36 26.263 10.775 -15.230 1.00 0.00 C ATOM 504 O LYS A 36 26.033 11.055 -16.404 1.00 0.00 O ATOM 505 CB LYS A 36 28.571 10.099 -14.410 1.00 0.00 C ATOM 506 CG LYS A 36 29.952 10.701 -14.123 1.00 0.00 C ATOM 507 CD LYS A 36 30.923 9.649 -13.598 1.00 0.00 C ATOM 508 CE LYS A 36 31.180 8.523 -14.605 1.00 0.00 C ATOM 509 NZ LYS A 36 32.197 7.583 -14.104 1.00 0.00 N ATOM 0 H LYS A 36 27.745 11.387 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 36 28.003 11.978 -15.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.268 9.441 -13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.603 9.492 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.353 11.145 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.855 11.505 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 31.869 10.128 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.526 9.223 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 36 30.251 7.988 -14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 36 31.509 8.948 -15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 32.351 6.831 -14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 33.089 8.092 -13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.870 7.161 -13.211 1.00 0.00 H new ATOM 523 N LEU A 37 25.426 10.030 -14.498 1.00 0.00 N ATOM 524 CA LEU A 37 24.271 9.358 -15.096 1.00 0.00 C ATOM 525 C LEU A 37 23.048 10.269 -15.295 1.00 0.00 C ATOM 526 O LEU A 37 22.212 9.969 -16.145 1.00 0.00 O ATOM 527 CB LEU A 37 23.908 8.099 -14.292 1.00 0.00 C ATOM 528 CG LEU A 37 25.040 7.064 -14.158 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.469 5.761 -13.584 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.732 6.748 -15.490 1.00 0.00 C ATOM 0 H LEU A 37 25.528 9.879 -13.494 1.00 0.00 H new ATOM 0 HA LEU A 37 24.575 9.067 -16.101 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.593 8.402 -13.293 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.051 7.619 -14.765 1.00 0.00 H new ATOM 0 HG LEU A 37 25.788 7.501 -13.496 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.267 5.025 -13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.034 5.955 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.699 5.375 -14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.519 6.012 -15.325 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.002 6.347 -16.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 26.167 7.660 -15.899 1.00 0.00 H new ATOM 542 N TYR A 38 22.906 11.340 -14.507 1.00 0.00 N ATOM 543 CA TYR A 38 21.751 12.241 -14.529 1.00 0.00 C ATOM 544 C TYR A 38 22.189 13.692 -14.304 1.00 0.00 C ATOM 545 O TYR A 38 21.930 14.567 -15.125 1.00 0.00 O ATOM 546 CB TYR A 38 20.743 11.866 -13.424 1.00 0.00 C ATOM 547 CG TYR A 38 20.074 10.509 -13.532 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.759 9.370 -13.076 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.701 10.415 -13.838 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.094 8.139 -12.955 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.025 9.193 -13.681 1.00 0.00 C ATOM 552 CZ TYR A 38 18.728 8.052 -13.263 1.00 0.00 C ATOM 553 OH TYR A 38 18.037 6.918 -12.983 1.00 0.00 O ATOM 0 H TYR A 38 23.609 11.610 -13.819 1.00 0.00 H new ATOM 0 HA TYR A 38 21.282 12.142 -15.508 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.259 11.914 -12.465 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.963 12.627 -13.405 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.805 9.442 -12.817 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.168 11.284 -14.194 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.632 7.262 -12.626 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.966 9.132 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 38 18.169 6.678 -12.042 1.00 0.00 H new ATOM 563 N GLY A 39 22.796 13.942 -13.144 1.00 0.00 N ATOM 564 CA GLY A 39 23.105 15.251 -12.599 1.00 0.00 C ATOM 565 C GLY A 39 23.170 15.099 -11.079 1.00 0.00 C ATOM 566 O GLY A 39 22.375 14.359 -10.498 1.00 0.00 O ATOM 0 H GLY A 39 23.100 13.188 -12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.054 15.618 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.342 15.976 -12.882 1.00 0.00 H new ATOM 570 N ASN A 40 24.132 15.747 -10.414 1.00 0.00 N ATOM 571 CA ASN A 40 24.385 15.501 -8.999 1.00 0.00 C ATOM 572 C ASN A 40 23.412 16.300 -8.139 1.00 0.00 C ATOM 573 O ASN A 40 23.809 17.214 -7.421 1.00 0.00 O ATOM 574 CB ASN A 40 25.841 15.799 -8.623 1.00 0.00 C ATOM 575 CG ASN A 40 26.124 15.435 -7.162 1.00 0.00 C ATOM 576 OD1 ASN A 40 25.269 14.912 -6.447 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.346 15.695 -6.700 1.00 0.00 N ATOM 0 H ASN A 40 24.745 16.444 -10.836 1.00 0.00 H new ATOM 0 HA ASN A 40 24.220 14.441 -8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.510 15.238 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.051 16.856 -8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.588 15.460 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.040 16.129 -7.309 1.00 0.00 H new ATOM 584 N ASP A 41 22.139 15.911 -8.173 1.00 0.00 N ATOM 585 CA ASP A 41 21.124 16.431 -7.262 1.00 0.00 C ATOM 586 C ASP A 41 21.006 15.534 -6.023 1.00 0.00 C ATOM 587 O ASP A 41 19.920 15.378 -5.471 1.00 0.00 O ATOM 588 CB ASP A 41 19.791 16.588 -8.014 1.00 0.00 C ATOM 589 CG ASP A 41 18.698 17.241 -7.167 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.016 18.251 -6.501 1.00 0.00 O ATOM 591 OD2 ASP A 41 17.558 16.727 -7.209 1.00 0.00 O ATOM 0 H ASP A 41 21.782 15.223 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 41 21.416 17.418 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.954 17.187 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.449 15.607 -8.344 1.00 0.00 H new ATOM 596 N PHE A 42 22.121 14.960 -5.550 1.00 0.00 N ATOM 597 CA PHE A 42 22.093 13.893 -4.547 1.00 0.00 C ATOM 598 C PHE A 42 23.114 14.129 -3.443 1.00 0.00 C ATOM 599 O PHE A 42 22.748 14.121 -2.267 1.00 0.00 O ATOM 600 CB PHE A 42 22.288 12.547 -5.258 1.00 0.00 C ATOM 601 CG PHE A 42 21.183 12.318 -6.267 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.908 11.938 -5.811 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.320 12.840 -7.567 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.783 12.117 -6.631 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.204 12.962 -8.410 1.00 0.00 C ATOM 606 CZ PHE A 42 18.925 12.659 -7.918 1.00 0.00 C ATOM 0 H PHE A 42 23.060 15.222 -5.851 1.00 0.00 H new ATOM 0 HA PHE A 42 21.125 13.885 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.256 12.530 -5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.294 11.739 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.794 11.507 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.293 13.150 -7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.804 11.837 -6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.329 13.287 -9.432 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.053 12.842 -8.528 1.00 0.00 H new ATOM 616 N SER A 43 24.372 14.347 -3.851 1.00 0.00 N ATOM 617 CA SER A 43 25.535 14.623 -3.017 1.00 0.00 C ATOM 618 C SER A 43 25.441 13.960 -1.639 1.00 0.00 C ATOM 619 O SER A 43 25.717 12.769 -1.497 1.00 0.00 O ATOM 620 CB SER A 43 25.761 16.143 -2.953 1.00 0.00 C ATOM 621 OG SER A 43 24.624 16.803 -2.421 1.00 0.00 O ATOM 0 H SER A 43 24.613 14.333 -4.842 1.00 0.00 H new ATOM 0 HA SER A 43 26.416 14.170 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.633 16.359 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.974 16.525 -3.951 1.00 0.00 H new ATOM 0 HG SER A 43 24.791 17.768 -2.388 1.00 0.00 H new ATOM 627 N GLN A 44 25.028 14.752 -0.650 1.00 0.00 N ATOM 628 CA GLN A 44 24.719 14.330 0.701 1.00 0.00 C ATOM 629 C GLN A 44 23.309 14.780 1.045 1.00 0.00 C ATOM 630 O GLN A 44 22.460 13.959 1.390 1.00 0.00 O ATOM 631 CB GLN A 44 25.779 14.895 1.663 1.00 0.00 C ATOM 632 CG GLN A 44 25.468 14.681 3.155 1.00 0.00 C ATOM 633 CD GLN A 44 24.473 15.696 3.725 1.00 0.00 C ATOM 634 OE1 GLN A 44 24.594 16.898 3.501 1.00 0.00 O ATOM 635 NE2 GLN A 44 23.448 15.236 4.436 1.00 0.00 N ATOM 0 H GLN A 44 24.896 15.754 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 44 24.748 13.244 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.740 14.434 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.887 15.964 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 44 25.069 13.676 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 44 26.397 14.737 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.359 14.236 4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.750 15.883 4.803 1.00 0.00 H new ATOM 644 N THR A 45 23.084 16.091 0.999 1.00 0.00 N ATOM 645 CA THR A 45 21.899 16.727 1.535 1.00 0.00 C ATOM 646 C THR A 45 20.607 16.131 0.981 1.00 0.00 C ATOM 647 O THR A 45 19.793 15.631 1.752 1.00 0.00 O ATOM 648 CB THR A 45 22.047 18.238 1.327 1.00 0.00 C ATOM 649 OG1 THR A 45 23.401 18.583 1.573 1.00 0.00 O ATOM 650 CG2 THR A 45 21.138 19.032 2.267 1.00 0.00 C ATOM 0 H THR A 45 23.739 16.749 0.577 1.00 0.00 H new ATOM 0 HA THR A 45 21.814 16.534 2.605 1.00 0.00 H new ATOM 0 HB THR A 45 21.756 18.485 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.752 18.030 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.273 20.099 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.098 18.761 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.394 18.802 3.301 1.00 0.00 H new ATOM 658 N THR A 46 20.408 16.146 -0.337 1.00 0.00 N ATOM 659 CA THR A 46 19.188 15.641 -0.943 1.00 0.00 C ATOM 660 C THR A 46 19.011 14.144 -0.675 1.00 0.00 C ATOM 661 O THR A 46 17.905 13.718 -0.350 1.00 0.00 O ATOM 662 CB THR A 46 19.193 15.981 -2.436 1.00 0.00 C ATOM 663 OG1 THR A 46 20.527 16.108 -2.879 1.00 0.00 O ATOM 664 CG2 THR A 46 18.492 17.318 -2.696 1.00 0.00 C ATOM 0 H THR A 46 21.087 16.508 -1.007 1.00 0.00 H new ATOM 0 HA THR A 46 18.324 16.126 -0.488 1.00 0.00 H new ATOM 0 HB THR A 46 18.672 15.183 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.061 15.365 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.509 17.536 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.459 17.260 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.009 18.111 -2.155 1.00 0.00 H new ATOM 672 N ILE A 47 20.075 13.341 -0.762 1.00 0.00 N ATOM 673 CA ILE A 47 19.997 11.926 -0.393 1.00 0.00 C ATOM 674 C ILE A 47 19.530 11.765 1.058 1.00 0.00 C ATOM 675 O ILE A 47 18.634 10.970 1.347 1.00 0.00 O ATOM 676 CB ILE A 47 21.343 11.229 -0.670 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.489 10.932 -2.166 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.565 9.959 0.166 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.567 9.842 -2.720 1.00 0.00 C ATOM 0 H ILE A 47 20.995 13.644 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 47 19.248 11.434 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 47 22.121 11.926 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.306 11.853 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.522 10.642 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.533 9.524 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.544 10.213 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.776 9.238 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.754 9.714 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.762 8.903 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.528 10.132 -2.567 1.00 0.00 H new ATOM 691 N SER A 48 20.125 12.521 1.978 1.00 0.00 N ATOM 692 CA SER A 48 19.770 12.440 3.385 1.00 0.00 C ATOM 693 C SER A 48 18.308 12.861 3.587 1.00 0.00 C ATOM 694 O SER A 48 17.553 12.168 4.262 1.00 0.00 O ATOM 695 CB SER A 48 20.756 13.258 4.223 1.00 0.00 C ATOM 696 OG SER A 48 22.087 12.883 3.897 1.00 0.00 O ATOM 0 H SER A 48 20.858 13.198 1.769 1.00 0.00 H new ATOM 0 HA SER A 48 19.847 11.409 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.612 14.322 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.571 13.093 5.284 1.00 0.00 H new ATOM 0 HG SER A 48 22.342 13.291 3.044 1.00 0.00 H new ATOM 702 N ARG A 49 17.893 13.970 2.968 1.00 0.00 N ATOM 703 CA ARG A 49 16.513 14.442 2.995 1.00 0.00 C ATOM 704 C ARG A 49 15.553 13.401 2.414 1.00 0.00 C ATOM 705 O ARG A 49 14.455 13.220 2.937 1.00 0.00 O ATOM 706 CB ARG A 49 16.392 15.765 2.230 1.00 0.00 C ATOM 707 CG ARG A 49 17.030 16.928 3.003 1.00 0.00 C ATOM 708 CD ARG A 49 16.941 18.225 2.191 1.00 0.00 C ATOM 709 NE ARG A 49 15.545 18.648 2.024 1.00 0.00 N ATOM 710 CZ ARG A 49 15.120 19.628 1.217 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.978 20.302 0.444 1.00 0.00 N ATOM 712 NH2 ARG A 49 13.817 19.923 1.207 1.00 0.00 N ATOM 0 H ARG A 49 18.517 14.570 2.428 1.00 0.00 H new ATOM 0 HA ARG A 49 16.235 14.605 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.873 15.668 1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.340 15.984 2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.525 17.056 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.073 16.699 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.505 19.011 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.399 18.078 1.213 1.00 0.00 H new ATOM 0 HE ARG A 49 14.839 18.153 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.972 20.072 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.639 21.046 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.172 19.406 1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.467 20.665 0.601 1.00 0.00 H new ATOM 726 N PHE A 50 15.946 12.730 1.329 1.00 0.00 N ATOM 727 CA PHE A 50 15.156 11.674 0.718 1.00 0.00 C ATOM 728 C PHE A 50 14.941 10.547 1.712 1.00 0.00 C ATOM 729 O PHE A 50 13.810 10.172 1.998 1.00 0.00 O ATOM 730 CB PHE A 50 15.865 11.123 -0.522 1.00 0.00 C ATOM 731 CG PHE A 50 15.119 9.995 -1.210 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.763 10.149 -1.547 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.758 8.764 -1.451 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.074 9.111 -2.193 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.074 7.732 -2.110 1.00 0.00 C ATOM 736 CZ PHE A 50 13.738 7.912 -2.506 1.00 0.00 C ATOM 0 H PHE A 50 16.829 12.910 0.851 1.00 0.00 H new ATOM 0 HA PHE A 50 14.194 12.092 0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.012 11.935 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.855 10.768 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.250 11.069 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.777 8.614 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.032 9.233 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.575 6.797 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.223 7.133 -3.048 1.00 0.00 H new ATOM 746 N GLU A 51 16.039 10.018 2.245 1.00 0.00 N ATOM 747 CA GLU A 51 15.975 8.935 3.220 1.00 0.00 C ATOM 748 C GLU A 51 15.180 9.343 4.468 1.00 0.00 C ATOM 749 O GLU A 51 14.398 8.551 4.986 1.00 0.00 O ATOM 750 CB GLU A 51 17.384 8.435 3.538 1.00 0.00 C ATOM 751 CG GLU A 51 17.340 7.180 4.431 1.00 0.00 C ATOM 752 CD GLU A 51 17.560 7.455 5.919 1.00 0.00 C ATOM 753 OE1 GLU A 51 17.483 8.636 6.321 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.828 6.465 6.635 1.00 0.00 O ATOM 0 H GLU A 51 16.985 10.323 2.017 1.00 0.00 H new ATOM 0 HA GLU A 51 15.426 8.099 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.910 8.207 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.948 9.222 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.374 6.692 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.100 6.478 4.088 1.00 0.00 H new ATOM 761 N ALA A 52 15.344 10.587 4.926 1.00 0.00 N ATOM 762 CA ALA A 52 14.551 11.155 6.013 1.00 0.00 C ATOM 763 C ALA A 52 13.106 11.456 5.585 1.00 0.00 C ATOM 764 O ALA A 52 12.291 11.855 6.413 1.00 0.00 O ATOM 765 CB ALA A 52 15.237 12.423 6.528 1.00 0.00 C ATOM 0 H ALA A 52 16.038 11.232 4.548 1.00 0.00 H new ATOM 0 HA ALA A 52 14.492 10.416 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.649 12.851 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.233 12.175 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.318 13.148 5.718 1.00 0.00 H new ATOM 771 N LEU A 53 12.791 11.289 4.299 1.00 0.00 N ATOM 772 CA LEU A 53 11.479 11.454 3.698 1.00 0.00 C ATOM 773 C LEU A 53 10.928 12.864 3.914 1.00 0.00 C ATOM 774 O LEU A 53 9.741 13.066 4.150 1.00 0.00 O ATOM 775 CB LEU A 53 10.544 10.315 4.123 1.00 0.00 C ATOM 776 CG LEU A 53 11.054 8.961 3.590 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.447 7.837 4.433 1.00 0.00 C ATOM 778 CD2 LEU A 53 10.705 8.753 2.109 1.00 0.00 C ATOM 0 H LEU A 53 13.494 11.018 3.612 1.00 0.00 H new ATOM 0 HA LEU A 53 11.566 11.368 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.476 10.281 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.539 10.504 3.747 1.00 0.00 H new ATOM 0 HG LEU A 53 12.141 8.952 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.801 6.874 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.747 7.960 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.360 7.875 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.084 7.786 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.623 8.781 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.160 9.544 1.513 1.00 0.00 H new ATOM 790 N ASN A 54 11.807 13.855 3.749 1.00 0.00 N ATOM 791 CA ASN A 54 11.467 15.266 3.855 1.00 0.00 C ATOM 792 C ASN A 54 10.802 15.788 2.579 1.00 0.00 C ATOM 793 O ASN A 54 9.963 16.682 2.638 1.00 0.00 O ATOM 794 CB ASN A 54 12.741 16.061 4.156 1.00 0.00 C ATOM 795 CG ASN A 54 12.492 17.566 4.103 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.847 18.220 3.126 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.889 18.127 5.145 1.00 0.00 N ATOM 0 H ASN A 54 12.791 13.691 3.534 1.00 0.00 H new ATOM 0 HA ASN A 54 10.748 15.391 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.116 15.788 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.515 15.794 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.708 19.131 5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.607 17.554 5.940 1.00 0.00 H new ATOM 804 N LEU A 55 11.162 15.238 1.415 1.00 0.00 N ATOM 805 CA LEU A 55 10.810 15.784 0.101 1.00 0.00 C ATOM 806 C LEU A 55 9.336 15.593 -0.309 1.00 0.00 C ATOM 807 O LEU A 55 9.043 15.507 -1.504 1.00 0.00 O ATOM 808 CB LEU A 55 11.747 15.186 -0.965 1.00 0.00 C ATOM 809 CG LEU A 55 13.248 15.300 -0.645 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.061 14.629 -1.758 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.695 16.758 -0.493 1.00 0.00 C ATOM 0 H LEU A 55 11.717 14.384 1.359 1.00 0.00 H new ATOM 0 HA LEU A 55 10.941 16.863 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.498 14.133 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.554 15.682 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 55 13.423 14.799 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.124 14.710 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.784 13.577 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.854 15.122 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.761 16.790 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.504 17.296 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.138 17.226 0.319 1.00 0.00 H new ATOM 823 N SER A 56 8.401 15.572 0.647 1.00 0.00 N ATOM 824 CA SER A 56 6.961 15.370 0.481 1.00 0.00 C ATOM 825 C SER A 56 6.604 14.078 -0.267 1.00 0.00 C ATOM 826 O SER A 56 6.222 13.085 0.343 1.00 0.00 O ATOM 827 CB SER A 56 6.296 16.616 -0.132 1.00 0.00 C ATOM 828 OG SER A 56 6.739 16.870 -1.454 1.00 0.00 O ATOM 0 H SER A 56 8.651 15.706 1.627 1.00 0.00 H new ATOM 0 HA SER A 56 6.548 15.233 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.214 16.483 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.510 17.483 0.493 1.00 0.00 H new ATOM 0 HG SER A 56 7.690 16.644 -1.530 1.00 0.00 H new ATOM 834 N PHE A 57 6.696 14.128 -1.595 1.00 0.00 N ATOM 835 CA PHE A 57 6.359 13.080 -2.550 1.00 0.00 C ATOM 836 C PHE A 57 6.748 13.535 -3.961 1.00 0.00 C ATOM 837 O PHE A 57 7.249 12.747 -4.764 1.00 0.00 O ATOM 838 CB PHE A 57 4.867 12.725 -2.483 1.00 0.00 C ATOM 839 CG PHE A 57 4.442 11.704 -3.525 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.978 10.402 -3.490 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.598 12.082 -4.587 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.673 9.485 -4.511 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.277 11.156 -5.596 1.00 0.00 C ATOM 844 CZ PHE A 57 3.809 9.857 -5.555 1.00 0.00 C ATOM 0 H PHE A 57 7.034 14.968 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 57 6.918 12.179 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.638 12.337 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.279 13.633 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.625 10.107 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.197 13.084 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.103 8.494 -4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.620 11.444 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.554 9.144 -6.325 1.00 0.00 H new ATOM 854 N LYS A 58 6.527 14.825 -4.253 1.00 0.00 N ATOM 855 CA LYS A 58 6.726 15.422 -5.567 1.00 0.00 C ATOM 856 C LYS A 58 8.044 14.994 -6.218 1.00 0.00 C ATOM 857 O LYS A 58 8.059 14.524 -7.353 1.00 0.00 O ATOM 858 CB LYS A 58 6.587 16.951 -5.465 1.00 0.00 C ATOM 859 CG LYS A 58 7.674 17.640 -4.619 1.00 0.00 C ATOM 860 CD LYS A 58 7.247 19.049 -4.182 1.00 0.00 C ATOM 861 CE LYS A 58 6.894 19.977 -5.352 1.00 0.00 C ATOM 862 NZ LYS A 58 8.011 20.122 -6.302 1.00 0.00 N ATOM 0 H LYS A 58 6.196 15.494 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 58 5.948 15.049 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.607 17.372 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.611 17.186 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.887 17.035 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.598 17.702 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.385 18.969 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.053 19.500 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.022 19.584 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.618 20.958 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.747 20.796 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.851 20.473 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.225 19.199 -6.730 1.00 0.00 H new ATOM 876 N ASN A 59 9.154 15.148 -5.492 1.00 0.00 N ATOM 877 CA ASN A 59 10.463 14.752 -5.988 1.00 0.00 C ATOM 878 C ASN A 59 10.592 13.238 -5.894 1.00 0.00 C ATOM 879 O ASN A 59 11.011 12.579 -6.841 1.00 0.00 O ATOM 880 CB ASN A 59 11.566 15.439 -5.174 1.00 0.00 C ATOM 881 CG ASN A 59 12.913 15.438 -5.900 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.079 14.816 -6.943 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.898 16.148 -5.357 1.00 0.00 N ATOM 0 H ASN A 59 9.166 15.547 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 59 10.570 15.058 -7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.271 16.467 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.673 14.934 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.812 16.182 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.740 16.659 -4.488 1.00 0.00 H new ATOM 890 N MET A 60 10.215 12.698 -4.728 1.00 0.00 N ATOM 891 CA MET A 60 10.303 11.281 -4.390 1.00 0.00 C ATOM 892 C MET A 60 9.887 10.382 -5.549 1.00 0.00 C ATOM 893 O MET A 60 10.566 9.405 -5.851 1.00 0.00 O ATOM 894 CB MET A 60 9.431 10.929 -3.188 1.00 0.00 C ATOM 895 CG MET A 60 9.757 11.707 -1.922 1.00 0.00 C ATOM 896 SD MET A 60 8.949 10.980 -0.482 1.00 0.00 S ATOM 897 CE MET A 60 9.693 12.012 0.780 1.00 0.00 C ATOM 0 H MET A 60 9.827 13.260 -3.970 1.00 0.00 H new ATOM 0 HA MET A 60 11.352 11.106 -4.153 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.387 11.105 -3.449 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.533 9.864 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.836 11.721 -1.768 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.438 12.743 -2.037 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.459 11.608 1.765 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.774 12.032 0.643 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.299 13.025 0.701 1.00 0.00 H new ATOM 907 N CYS A 61 8.759 10.697 -6.183 1.00 0.00 N ATOM 908 CA CYS A 61 8.223 9.855 -7.246 1.00 0.00 C ATOM 909 C CYS A 61 9.169 9.726 -8.442 1.00 0.00 C ATOM 910 O CYS A 61 9.131 8.722 -9.149 1.00 0.00 O ATOM 911 CB CYS A 61 6.855 10.379 -7.686 1.00 0.00 C ATOM 912 SG CYS A 61 6.064 9.139 -8.742 1.00 0.00 S ATOM 0 H CYS A 61 8.202 11.526 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 61 8.113 8.851 -6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.232 10.585 -6.815 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.967 11.319 -8.227 1.00 0.00 H new ATOM 0 HG CYS A 61 6.977 8.432 -9.340 1.00 0.00 H new ATOM 917 N LYS A 62 10.018 10.728 -8.681 1.00 0.00 N ATOM 918 CA LYS A 62 11.115 10.633 -9.636 1.00 0.00 C ATOM 919 C LYS A 62 12.292 9.941 -8.944 1.00 0.00 C ATOM 920 O LYS A 62 12.861 8.983 -9.463 1.00 0.00 O ATOM 921 CB LYS A 62 11.491 12.044 -10.106 1.00 0.00 C ATOM 922 CG LYS A 62 12.675 12.020 -11.080 1.00 0.00 C ATOM 923 CD LYS A 62 12.951 13.414 -11.653 1.00 0.00 C ATOM 924 CE LYS A 62 13.191 14.490 -10.581 1.00 0.00 C ATOM 925 NZ LYS A 62 14.212 14.087 -9.597 1.00 0.00 N ATOM 0 H LYS A 62 9.960 11.632 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 62 10.829 10.050 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.631 12.508 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.742 12.660 -9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.564 11.653 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.466 11.325 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.823 13.363 -12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.107 13.715 -12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.502 15.417 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.254 14.699 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.815 14.152 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.507 13.107 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.036 14.717 -9.674 1.00 0.00 H new ATOM 939 N LEU A 63 12.650 10.453 -7.765 1.00 0.00 N ATOM 940 CA LEU A 63 13.773 10.037 -6.936 1.00 0.00 C ATOM 941 C LEU A 63 13.863 8.507 -6.823 1.00 0.00 C ATOM 942 O LEU A 63 14.945 7.937 -6.946 1.00 0.00 O ATOM 943 CB LEU A 63 13.587 10.665 -5.544 1.00 0.00 C ATOM 944 CG LEU A 63 14.822 11.189 -4.800 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.973 10.190 -4.807 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.273 12.535 -5.374 1.00 0.00 C ATOM 0 H LEU A 63 12.127 11.219 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 63 14.704 10.374 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.887 11.494 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.109 9.921 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 63 14.528 11.331 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.822 10.610 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.656 9.266 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.265 9.979 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.150 12.887 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.523 12.416 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.467 13.262 -5.272 1.00 0.00 H new ATOM 958 N LYS A 64 12.738 7.833 -6.562 1.00 0.00 N ATOM 959 CA LYS A 64 12.723 6.395 -6.328 1.00 0.00 C ATOM 960 C LYS A 64 13.160 5.606 -7.570 1.00 0.00 C ATOM 961 O LYS A 64 14.202 4.953 -7.514 1.00 0.00 O ATOM 962 CB LYS A 64 11.380 5.978 -5.713 1.00 0.00 C ATOM 963 CG LYS A 64 11.269 4.479 -5.392 1.00 0.00 C ATOM 964 CD LYS A 64 10.581 3.666 -6.498 1.00 0.00 C ATOM 965 CE LYS A 64 10.196 2.269 -5.996 1.00 0.00 C ATOM 966 NZ LYS A 64 11.375 1.478 -5.604 1.00 0.00 N ATOM 0 H LYS A 64 11.819 8.272 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 64 13.478 6.133 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.221 6.546 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.579 6.251 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.268 4.076 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.714 4.355 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.689 4.192 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.247 3.577 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.523 2.363 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.649 1.741 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.065 0.582 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.955 1.279 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.939 2.014 -4.914 1.00 0.00 H new ATOM 980 N PRO A 65 12.427 5.649 -8.698 1.00 0.00 N ATOM 981 CA PRO A 65 12.864 4.980 -9.914 1.00 0.00 C ATOM 982 C PRO A 65 14.243 5.482 -10.354 1.00 0.00 C ATOM 983 O PRO A 65 15.064 4.688 -10.804 1.00 0.00 O ATOM 984 CB PRO A 65 11.772 5.226 -10.960 1.00 0.00 C ATOM 985 CG PRO A 65 11.036 6.461 -10.446 1.00 0.00 C ATOM 986 CD PRO A 65 11.169 6.339 -8.928 1.00 0.00 C ATOM 0 HA PRO A 65 12.992 3.908 -9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.198 5.398 -11.948 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.103 4.370 -11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.486 7.382 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.992 6.468 -10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.169 7.321 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.333 5.781 -8.505 1.00 0.00 H new ATOM 994 N LEU A 66 14.520 6.781 -10.193 1.00 0.00 N ATOM 995 CA LEU A 66 15.823 7.362 -10.488 1.00 0.00 C ATOM 996 C LEU A 66 16.941 6.602 -9.764 1.00 0.00 C ATOM 997 O LEU A 66 17.871 6.100 -10.404 1.00 0.00 O ATOM 998 CB LEU A 66 15.778 8.859 -10.131 1.00 0.00 C ATOM 999 CG LEU A 66 17.092 9.628 -10.329 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.814 11.032 -10.878 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.834 9.766 -9.000 1.00 0.00 C ATOM 0 H LEU A 66 13.838 7.458 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 66 16.051 7.271 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.005 9.335 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.474 8.957 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 66 17.703 9.069 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.756 11.563 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.302 10.953 -11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.186 11.580 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.763 10.313 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.210 10.308 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.059 8.776 -8.604 1.00 0.00 H new ATOM 1013 N LEU A 67 16.856 6.505 -8.435 1.00 0.00 N ATOM 1014 CA LEU A 67 17.858 5.815 -7.650 1.00 0.00 C ATOM 1015 C LEU A 67 17.834 4.320 -7.924 1.00 0.00 C ATOM 1016 O LEU A 67 18.890 3.699 -7.917 1.00 0.00 O ATOM 1017 CB LEU A 67 17.678 6.082 -6.157 1.00 0.00 C ATOM 1018 CG LEU A 67 18.093 7.487 -5.702 1.00 0.00 C ATOM 1019 CD1 LEU A 67 18.020 7.555 -4.182 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.505 7.902 -6.119 1.00 0.00 C ATOM 0 H LEU A 67 16.094 6.902 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 67 18.830 6.206 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.631 5.925 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.258 5.348 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 67 17.402 8.173 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.313 8.550 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.000 7.349 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.694 6.815 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.711 8.908 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.229 7.207 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.582 7.887 -7.206 1.00 0.00 H new ATOM 1032 N GLU A 68 16.663 3.728 -8.157 1.00 0.00 N ATOM 1033 CA GLU A 68 16.569 2.318 -8.502 1.00 0.00 C ATOM 1034 C GLU A 68 17.383 2.034 -9.770 1.00 0.00 C ATOM 1035 O GLU A 68 18.203 1.116 -9.800 1.00 0.00 O ATOM 1036 CB GLU A 68 15.094 1.929 -8.653 1.00 0.00 C ATOM 1037 CG GLU A 68 14.904 0.411 -8.733 1.00 0.00 C ATOM 1038 CD GLU A 68 13.425 0.056 -8.835 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.720 0.287 -7.830 1.00 0.00 O ATOM 1040 OE2 GLU A 68 13.024 -0.424 -9.918 1.00 0.00 O ATOM 0 H GLU A 68 15.765 4.209 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 68 16.993 1.705 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.528 2.321 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.687 2.393 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.438 0.018 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.336 -0.061 -7.851 1.00 0.00 H new ATOM 1047 N LYS A 69 17.175 2.836 -10.819 1.00 0.00 N ATOM 1048 CA LYS A 69 17.863 2.659 -12.088 1.00 0.00 C ATOM 1049 C LYS A 69 19.357 2.950 -11.909 1.00 0.00 C ATOM 1050 O LYS A 69 20.201 2.200 -12.402 1.00 0.00 O ATOM 1051 CB LYS A 69 17.164 3.516 -13.152 1.00 0.00 C ATOM 1052 CG LYS A 69 17.638 3.268 -14.592 1.00 0.00 C ATOM 1053 CD LYS A 69 18.835 4.143 -14.989 1.00 0.00 C ATOM 1054 CE LYS A 69 19.137 3.971 -16.482 1.00 0.00 C ATOM 1055 NZ LYS A 69 20.267 4.818 -16.898 1.00 0.00 N ATOM 0 H LYS A 69 16.525 3.622 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 69 17.808 1.628 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.091 3.330 -13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.318 4.568 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.910 2.218 -14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.813 3.458 -15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.620 5.189 -14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.709 3.868 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.366 2.926 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.253 4.227 -17.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.331 4.826 -17.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.119 5.788 -16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 21.150 4.439 -16.499 1.00 0.00 H new ATOM 1069 N TRP A 70 19.697 4.005 -11.159 1.00 0.00 N ATOM 1070 CA TRP A 70 21.080 4.244 -10.761 1.00 0.00 C ATOM 1071 C TRP A 70 21.673 2.992 -10.107 1.00 0.00 C ATOM 1072 O TRP A 70 22.781 2.586 -10.447 1.00 0.00 O ATOM 1073 CB TRP A 70 21.172 5.445 -9.814 1.00 0.00 C ATOM 1074 CG TRP A 70 22.543 5.716 -9.275 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.465 6.520 -9.842 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.191 5.139 -8.102 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.635 6.474 -9.117 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.532 5.618 -8.040 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.785 4.241 -7.095 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.428 5.210 -7.041 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.669 3.834 -6.080 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.988 4.313 -6.054 1.00 0.00 C ATOM 0 H TRP A 70 19.033 4.701 -10.819 1.00 0.00 H new ATOM 0 HA TRP A 70 21.660 4.472 -11.655 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.822 6.333 -10.341 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.493 5.283 -8.977 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.309 7.112 -10.732 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.474 7.007 -9.348 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.775 3.858 -7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.442 5.581 -7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.331 3.149 -5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.664 3.992 -5.275 1.00 0.00 H new ATOM 1093 N LEU A 71 20.945 2.382 -9.166 1.00 0.00 N ATOM 1094 CA LEU A 71 21.414 1.230 -8.411 1.00 0.00 C ATOM 1095 C LEU A 71 21.693 0.087 -9.376 1.00 0.00 C ATOM 1096 O LEU A 71 22.800 -0.440 -9.387 1.00 0.00 O ATOM 1097 CB LEU A 71 20.394 0.806 -7.337 1.00 0.00 C ATOM 1098 CG LEU A 71 20.981 0.910 -5.924 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.857 0.759 -4.893 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.054 -0.159 -5.694 1.00 0.00 C ATOM 0 H LEU A 71 20.005 2.682 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 71 22.332 1.499 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.507 1.435 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.074 -0.219 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 71 21.451 1.887 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.273 0.833 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.120 1.549 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.378 -0.212 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.453 -0.062 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.614 -1.149 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.859 -0.028 -6.417 1.00 0.00 H new ATOM 1112 N ASN A 72 20.698 -0.253 -10.203 1.00 0.00 N ATOM 1113 CA ASN A 72 20.826 -1.245 -11.265 1.00 0.00 C ATOM 1114 C ASN A 72 22.119 -1.024 -12.048 1.00 0.00 C ATOM 1115 O ASN A 72 22.920 -1.942 -12.204 1.00 0.00 O ATOM 1116 CB ASN A 72 19.608 -1.171 -12.194 1.00 0.00 C ATOM 1117 CG ASN A 72 19.816 -1.976 -13.474 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.500 -3.159 -13.523 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.335 -1.350 -14.530 1.00 0.00 N ATOM 0 H ASN A 72 19.768 0.163 -10.148 1.00 0.00 H new ATOM 0 HA ASN A 72 20.866 -2.239 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.729 -1.545 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.409 -0.130 -12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.477 -1.856 -15.404 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.590 -0.365 -14.464 1.00 0.00 H new ATOM 1126 N ASP A 73 22.313 0.202 -12.540 1.00 0.00 N ATOM 1127 CA ASP A 73 23.469 0.538 -13.358 1.00 0.00 C ATOM 1128 C ASP A 73 24.765 0.367 -12.563 1.00 0.00 C ATOM 1129 O ASP A 73 25.738 -0.185 -13.068 1.00 0.00 O ATOM 1130 CB ASP A 73 23.343 1.973 -13.889 1.00 0.00 C ATOM 1131 CG ASP A 73 22.199 2.171 -14.881 1.00 0.00 C ATOM 1132 OD1 ASP A 73 21.372 1.242 -15.036 1.00 0.00 O ATOM 1133 OD2 ASP A 73 22.178 3.267 -15.480 1.00 0.00 O ATOM 0 H ASP A 73 21.675 0.982 -12.381 1.00 0.00 H new ATOM 0 HA ASP A 73 23.503 -0.145 -14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.201 2.650 -13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 73 24.280 2.255 -14.370 1.00 0.00 H new ATOM 1138 N ALA A 74 24.787 0.869 -11.325 1.00 0.00 N ATOM 1139 CA ALA A 74 25.960 0.850 -10.467 1.00 0.00 C ATOM 1140 C ALA A 74 26.375 -0.585 -10.131 1.00 0.00 C ATOM 1141 O ALA A 74 27.541 -0.943 -10.273 1.00 0.00 O ATOM 1142 CB ALA A 74 25.681 1.661 -9.198 1.00 0.00 C ATOM 0 H ALA A 74 23.974 1.305 -10.890 1.00 0.00 H new ATOM 0 HA ALA A 74 26.794 1.308 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.561 1.646 -8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.447 2.691 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.836 1.224 -8.666 1.00 0.00 H new ATOM 1148 N GLU A 75 25.433 -1.405 -9.658 1.00 0.00 N ATOM 1149 CA GLU A 75 25.721 -2.770 -9.247 1.00 0.00 C ATOM 1150 C GLU A 75 25.878 -3.666 -10.476 1.00 0.00 C ATOM 1151 O GLU A 75 25.977 -4.885 -10.345 1.00 0.00 O ATOM 1152 CB GLU A 75 24.658 -3.264 -8.253 1.00 0.00 C ATOM 1153 CG GLU A 75 23.304 -3.598 -8.898 1.00 0.00 C ATOM 1154 CD GLU A 75 22.192 -3.644 -7.852 1.00 0.00 C ATOM 1155 OE1 GLU A 75 22.359 -4.418 -6.885 1.00 0.00 O ATOM 1156 OE2 GLU A 75 21.205 -2.897 -8.029 1.00 0.00 O ATOM 0 H GLU A 75 24.455 -1.137 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 75 26.672 -2.808 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.035 -4.152 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.507 -2.500 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.064 -2.851 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 75 23.368 -4.559 -9.408 1.00 0.00 H new TER 1163 GLU A 75