USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 56:sc= 0.241 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 12 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.2!) USER MOD Single : A 15 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 162:sc= -1.01 (180deg=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 27 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.3) USER MOD Single : A 29 GLN : amide:sc= -0.08 K(o=-0.08,f=-1) USER MOD Single : A 34 THR OG1 : rot -30:sc= -0.359 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.470 13.652 3.395 1.00 0.00 N ATOM 2 CA GLY A 1 -10.409 14.421 2.163 1.00 0.00 C ATOM 3 C GLY A 1 -8.976 14.871 1.868 1.00 0.00 C ATOM 4 O GLY A 1 -8.311 15.442 2.731 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.452 13.359 3.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.867 12.809 3.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.135 14.237 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.783 13.818 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.059 15.293 2.241 1.00 0.00 H new ATOM 8 N SER A 2 -8.544 14.597 0.646 1.00 0.00 N ATOM 9 CA SER A 2 -7.203 14.967 0.226 1.00 0.00 C ATOM 10 C SER A 2 -7.256 15.682 -1.125 1.00 0.00 C ATOM 11 O SER A 2 -8.224 15.537 -1.871 1.00 0.00 O ATOM 12 CB SER A 2 -6.294 13.739 0.142 1.00 0.00 C ATOM 13 OG SER A 2 -5.181 13.837 1.026 1.00 0.00 O ATOM 0 H SER A 2 -9.099 14.123 -0.067 1.00 0.00 H new ATOM 0 HA SER A 2 -6.786 15.644 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.870 12.845 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.935 13.623 -0.881 1.00 0.00 H new ATOM 0 HG SER A 2 -4.626 13.033 0.944 1.00 0.00 H new ATOM 19 N SER A 3 -6.204 16.439 -1.400 1.00 0.00 N ATOM 20 CA SER A 3 -6.118 17.177 -2.649 1.00 0.00 C ATOM 21 C SER A 3 -4.729 17.003 -3.265 1.00 0.00 C ATOM 22 O SER A 3 -3.724 17.036 -2.557 1.00 0.00 O ATOM 23 CB SER A 3 -6.422 18.661 -2.434 1.00 0.00 C ATOM 24 OG SER A 3 -7.307 19.174 -3.426 1.00 0.00 O ATOM 0 H SER A 3 -5.404 16.557 -0.779 1.00 0.00 H new ATOM 0 HA SER A 3 -6.865 16.777 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.863 18.801 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.491 19.228 -2.451 1.00 0.00 H new ATOM 0 HG SER A 3 -7.478 20.123 -3.253 1.00 0.00 H new ATOM 30 N GLY A 4 -4.717 16.823 -4.578 1.00 0.00 N ATOM 31 CA GLY A 4 -3.467 16.644 -5.297 1.00 0.00 C ATOM 32 C GLY A 4 -2.696 15.435 -4.765 1.00 0.00 C ATOM 33 O GLY A 4 -3.273 14.561 -4.120 1.00 0.00 O ATOM 0 H GLY A 4 -5.553 16.797 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.671 16.511 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.856 17.541 -5.199 1.00 0.00 H new ATOM 37 N SER A 5 -1.403 15.423 -5.054 1.00 0.00 N ATOM 38 CA SER A 5 -0.547 14.336 -4.613 1.00 0.00 C ATOM 39 C SER A 5 0.910 14.639 -4.968 1.00 0.00 C ATOM 40 O SER A 5 1.181 15.378 -5.913 1.00 0.00 O ATOM 41 CB SER A 5 -0.979 13.007 -5.236 1.00 0.00 C ATOM 42 OG SER A 5 -1.626 12.159 -4.290 1.00 0.00 O ATOM 0 H SER A 5 -0.927 16.150 -5.589 1.00 0.00 H new ATOM 0 HA SER A 5 -0.639 14.246 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.653 13.200 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.106 12.497 -5.643 1.00 0.00 H new ATOM 0 HG SER A 5 -2.388 12.631 -3.895 1.00 0.00 H new ATOM 48 N SER A 6 1.809 14.054 -4.191 1.00 0.00 N ATOM 49 CA SER A 6 3.232 14.252 -4.412 1.00 0.00 C ATOM 50 C SER A 6 3.968 12.914 -4.320 1.00 0.00 C ATOM 51 O SER A 6 4.615 12.491 -5.277 1.00 0.00 O ATOM 52 CB SER A 6 3.812 15.247 -3.404 1.00 0.00 C ATOM 53 OG SER A 6 3.909 16.561 -3.947 1.00 0.00 O ATOM 0 H SER A 6 1.580 13.443 -3.407 1.00 0.00 H new ATOM 0 HA SER A 6 3.368 14.666 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.184 15.268 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.800 14.911 -3.090 1.00 0.00 H new ATOM 0 HG SER A 6 4.282 17.167 -3.273 1.00 0.00 H new ATOM 59 N GLY A 7 3.844 12.285 -3.160 1.00 0.00 N ATOM 60 CA GLY A 7 4.489 11.004 -2.932 1.00 0.00 C ATOM 61 C GLY A 7 4.398 10.599 -1.459 1.00 0.00 C ATOM 62 O GLY A 7 5.379 10.698 -0.723 1.00 0.00 O ATOM 0 H GLY A 7 3.306 12.639 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.019 10.241 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.535 11.061 -3.233 1.00 0.00 H new ATOM 66 N HIS A 8 3.212 10.153 -1.073 1.00 0.00 N ATOM 67 CA HIS A 8 2.981 9.733 0.299 1.00 0.00 C ATOM 68 C HIS A 8 2.960 8.205 0.372 1.00 0.00 C ATOM 69 O HIS A 8 3.327 7.529 -0.589 1.00 0.00 O ATOM 70 CB HIS A 8 1.705 10.370 0.854 1.00 0.00 C ATOM 71 CG HIS A 8 1.555 11.835 0.519 1.00 0.00 C ATOM 72 ND1 HIS A 8 2.152 12.839 1.262 1.00 0.00 N ATOM 73 CD2 HIS A 8 0.870 12.454 -0.485 1.00 0.00 C ATOM 74 CE1 HIS A 8 1.834 14.005 0.720 1.00 0.00 C ATOM 75 NE2 HIS A 8 1.039 13.765 -0.362 1.00 0.00 N ATOM 0 H HIS A 8 2.401 10.073 -1.686 1.00 0.00 H new ATOM 0 HA HIS A 8 3.797 10.081 0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.842 9.829 0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.694 10.252 1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.289 11.961 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.149 14.976 1.073 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.640 14.476 -0.975 1.00 0.00 H new ATOM 83 N PHE A 9 2.528 7.705 1.520 1.00 0.00 N ATOM 84 CA PHE A 9 2.454 6.269 1.730 1.00 0.00 C ATOM 85 C PHE A 9 3.732 5.579 1.249 1.00 0.00 C ATOM 86 O PHE A 9 3.720 4.875 0.241 1.00 0.00 O ATOM 87 CB PHE A 9 1.271 5.756 0.907 1.00 0.00 C ATOM 88 CG PHE A 9 -0.019 6.553 1.109 1.00 0.00 C ATOM 89 CD1 PHE A 9 -0.596 6.614 2.339 1.00 0.00 C ATOM 90 CD2 PHE A 9 -0.589 7.202 0.058 1.00 0.00 C ATOM 91 CE1 PHE A 9 -1.794 7.354 2.526 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.786 7.942 0.245 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.363 8.002 1.474 1.00 0.00 C ATOM 0 H PHE A 9 2.226 8.268 2.315 1.00 0.00 H new ATOM 0 HA PHE A 9 2.334 6.054 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.539 5.780 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.086 4.713 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.143 6.100 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.131 7.154 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.253 7.402 3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.238 8.457 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.274 8.565 1.616 1.00 0.00 H new ATOM 103 N GLN A 10 4.805 5.804 1.994 1.00 0.00 N ATOM 104 CA GLN A 10 6.088 5.212 1.656 1.00 0.00 C ATOM 105 C GLN A 10 6.275 3.889 2.402 1.00 0.00 C ATOM 106 O GLN A 10 6.242 2.820 1.794 1.00 0.00 O ATOM 107 CB GLN A 10 7.234 6.179 1.960 1.00 0.00 C ATOM 108 CG GLN A 10 8.535 5.420 2.231 1.00 0.00 C ATOM 109 CD GLN A 10 9.753 6.309 1.970 1.00 0.00 C ATOM 110 OE1 GLN A 10 10.034 6.708 0.852 1.00 0.00 O ATOM 111 NE2 GLN A 10 10.458 6.594 3.061 1.00 0.00 N ATOM 0 H GLN A 10 4.812 6.388 2.830 1.00 0.00 H new ATOM 0 HA GLN A 10 6.102 5.008 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.374 6.859 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.979 6.791 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.549 5.072 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.583 4.535 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.167 6.227 3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.290 7.180 2.992 1.00 0.00 H new ATOM 120 N VAL A 11 6.468 4.005 3.708 1.00 0.00 N ATOM 121 CA VAL A 11 6.661 2.831 4.542 1.00 0.00 C ATOM 122 C VAL A 11 5.652 1.753 4.139 1.00 0.00 C ATOM 123 O VAL A 11 5.999 0.576 4.050 1.00 0.00 O ATOM 124 CB VAL A 11 6.564 3.217 6.019 1.00 0.00 C ATOM 125 CG1 VAL A 11 6.790 2.002 6.920 1.00 0.00 C ATOM 126 CG2 VAL A 11 7.545 4.341 6.357 1.00 0.00 C ATOM 0 H VAL A 11 6.495 4.893 4.209 1.00 0.00 H new ATOM 0 HA VAL A 11 7.658 2.416 4.393 1.00 0.00 H new ATOM 0 HB VAL A 11 5.555 3.586 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.716 2.305 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.035 1.245 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.781 1.589 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.456 4.596 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.563 4.011 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.317 5.218 5.751 1.00 0.00 H new ATOM 136 N GLN A 12 4.425 2.193 3.906 1.00 0.00 N ATOM 137 CA GLN A 12 3.364 1.281 3.514 1.00 0.00 C ATOM 138 C GLN A 12 3.637 0.717 2.118 1.00 0.00 C ATOM 139 O GLN A 12 3.544 -0.490 1.903 1.00 0.00 O ATOM 140 CB GLN A 12 1.999 1.970 3.570 1.00 0.00 C ATOM 141 CG GLN A 12 1.655 2.390 5.000 1.00 0.00 C ATOM 142 CD GLN A 12 1.617 3.914 5.130 1.00 0.00 C ATOM 143 OE1 GLN A 12 2.333 4.638 4.458 1.00 0.00 O ATOM 144 NE2 GLN A 12 0.744 4.359 6.030 1.00 0.00 N ATOM 0 H GLN A 12 4.141 3.170 3.981 1.00 0.00 H new ATOM 0 HA GLN A 12 3.345 0.452 4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.003 2.846 2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.231 1.295 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.688 1.973 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.393 1.981 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.175 3.698 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.644 5.361 6.191 1.00 0.00 H new ATOM 153 N LEU A 13 3.969 1.619 1.206 1.00 0.00 N ATOM 154 CA LEU A 13 4.257 1.226 -0.164 1.00 0.00 C ATOM 155 C LEU A 13 5.467 0.290 -0.178 1.00 0.00 C ATOM 156 O LEU A 13 5.597 -0.548 -1.069 1.00 0.00 O ATOM 157 CB LEU A 13 4.424 2.462 -1.051 1.00 0.00 C ATOM 158 CG LEU A 13 3.132 3.091 -1.575 1.00 0.00 C ATOM 159 CD1 LEU A 13 3.417 4.409 -2.298 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.363 2.108 -2.460 1.00 0.00 C ATOM 0 H LEU A 13 4.045 2.620 1.388 1.00 0.00 H new ATOM 0 HA LEU A 13 3.420 0.670 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.970 3.218 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.045 2.191 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 13 2.495 3.323 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.481 4.835 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.890 5.108 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.083 4.225 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.449 2.580 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.982 1.823 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.109 1.220 -1.882 1.00 0.00 H new ATOM 172 N GLU A 14 6.322 0.465 0.818 1.00 0.00 N ATOM 173 CA GLU A 14 7.517 -0.353 0.932 1.00 0.00 C ATOM 174 C GLU A 14 7.173 -1.713 1.543 1.00 0.00 C ATOM 175 O GLU A 14 7.445 -2.753 0.945 1.00 0.00 O ATOM 176 CB GLU A 14 8.595 0.359 1.751 1.00 0.00 C ATOM 177 CG GLU A 14 9.512 -0.649 2.446 1.00 0.00 C ATOM 178 CD GLU A 14 10.901 -0.053 2.685 1.00 0.00 C ATOM 179 OE1 GLU A 14 10.955 1.021 3.323 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.876 -0.684 2.225 1.00 0.00 O ATOM 0 H GLU A 14 6.211 1.162 1.554 1.00 0.00 H new ATOM 0 HA GLU A 14 7.917 -0.516 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.185 1.004 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.126 1.002 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.073 -0.950 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.598 -1.548 1.836 1.00 0.00 H new ATOM 187 N GLN A 15 6.580 -1.661 2.726 1.00 0.00 N ATOM 188 CA GLN A 15 6.197 -2.876 3.425 1.00 0.00 C ATOM 189 C GLN A 15 5.300 -3.739 2.535 1.00 0.00 C ATOM 190 O GLN A 15 5.413 -4.964 2.536 1.00 0.00 O ATOM 191 CB GLN A 15 5.504 -2.551 4.750 1.00 0.00 C ATOM 192 CG GLN A 15 6.526 -2.388 5.877 1.00 0.00 C ATOM 193 CD GLN A 15 5.845 -2.440 7.246 1.00 0.00 C ATOM 194 OE1 GLN A 15 5.868 -3.442 7.942 1.00 0.00 O ATOM 195 NE2 GLN A 15 5.239 -1.308 7.593 1.00 0.00 N ATOM 0 H GLN A 15 6.355 -0.797 3.219 1.00 0.00 H new ATOM 0 HA GLN A 15 7.101 -3.441 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.923 -1.635 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.803 -3.346 5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.276 -3.176 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.050 -1.439 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.258 -0.506 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.756 -1.242 8.489 1.00 0.00 H new ATOM 204 N LEU A 16 4.429 -3.067 1.798 1.00 0.00 N ATOM 205 CA LEU A 16 3.513 -3.757 0.905 1.00 0.00 C ATOM 206 C LEU A 16 4.308 -4.417 -0.224 1.00 0.00 C ATOM 207 O LEU A 16 4.118 -5.597 -0.514 1.00 0.00 O ATOM 208 CB LEU A 16 2.423 -2.803 0.413 1.00 0.00 C ATOM 209 CG LEU A 16 1.430 -2.318 1.471 1.00 0.00 C ATOM 210 CD1 LEU A 16 0.635 -1.112 0.964 1.00 0.00 C ATOM 211 CD2 LEU A 16 0.515 -3.456 1.927 1.00 0.00 C ATOM 0 H LEU A 16 4.338 -2.051 1.801 1.00 0.00 H new ATOM 0 HA LEU A 16 2.991 -4.553 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.904 -1.932 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.865 -3.299 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 16 1.994 -1.989 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.064 -0.787 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.320 -0.298 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.082 -1.392 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.181 -3.084 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.044 -3.838 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.117 -4.258 2.355 1.00 0.00 H new ATOM 223 N ARG A 17 5.182 -3.626 -0.829 1.00 0.00 N ATOM 224 CA ARG A 17 6.007 -4.118 -1.919 1.00 0.00 C ATOM 225 C ARG A 17 6.557 -5.506 -1.584 1.00 0.00 C ATOM 226 O ARG A 17 6.501 -6.416 -2.410 1.00 0.00 O ATOM 227 CB ARG A 17 7.173 -3.169 -2.200 1.00 0.00 C ATOM 228 CG ARG A 17 7.596 -3.239 -3.669 1.00 0.00 C ATOM 229 CD ARG A 17 8.032 -1.864 -4.180 1.00 0.00 C ATOM 230 NE ARG A 17 9.500 -1.834 -4.363 1.00 0.00 N ATOM 231 CZ ARG A 17 10.208 -0.717 -4.578 1.00 0.00 C ATOM 232 NH1 ARG A 17 9.587 0.469 -4.639 1.00 0.00 N ATOM 233 NH2 ARG A 17 11.537 -0.785 -4.734 1.00 0.00 N ATOM 0 H ARG A 17 5.337 -2.648 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 17 5.380 -4.177 -2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.884 -2.148 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.018 -3.427 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.415 -3.949 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.767 -3.609 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.535 -1.644 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.730 -1.092 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 17 10.005 -2.719 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.575 0.521 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.126 1.319 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.010 -1.687 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.075 0.066 -4.898 1.00 0.00 H new ATOM 247 N SER A 18 7.076 -5.624 -0.371 1.00 0.00 N ATOM 248 CA SER A 18 7.636 -6.885 0.084 1.00 0.00 C ATOM 249 C SER A 18 6.564 -7.976 0.052 1.00 0.00 C ATOM 250 O SER A 18 6.780 -9.048 -0.511 1.00 0.00 O ATOM 251 CB SER A 18 8.218 -6.754 1.493 1.00 0.00 C ATOM 252 OG SER A 18 9.619 -7.016 1.519 1.00 0.00 O ATOM 0 H SER A 18 7.121 -4.867 0.311 1.00 0.00 H new ATOM 0 HA SER A 18 8.447 -7.161 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.030 -5.749 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.707 -7.447 2.162 1.00 0.00 H new ATOM 0 HG SER A 18 9.953 -6.920 2.435 1.00 0.00 H new ATOM 258 N MET A 19 5.431 -7.665 0.664 1.00 0.00 N ATOM 259 CA MET A 19 4.324 -8.605 0.713 1.00 0.00 C ATOM 260 C MET A 19 4.002 -9.146 -0.681 1.00 0.00 C ATOM 261 O MET A 19 3.432 -10.228 -0.814 1.00 0.00 O ATOM 262 CB MET A 19 3.088 -7.910 1.289 1.00 0.00 C ATOM 263 CG MET A 19 3.125 -7.903 2.818 1.00 0.00 C ATOM 264 SD MET A 19 1.765 -8.860 3.466 1.00 0.00 S ATOM 265 CE MET A 19 0.847 -7.572 4.294 1.00 0.00 C ATOM 0 H MET A 19 5.256 -6.775 1.130 1.00 0.00 H new ATOM 0 HA MET A 19 4.611 -9.442 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.036 -6.886 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.187 -8.419 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.071 -8.316 3.169 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.068 -6.879 3.187 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.172 -7.912 4.477 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.327 -7.336 5.244 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.825 -6.680 3.667 1.00 0.00 H new ATOM 275 N GLY A 20 4.383 -8.369 -1.685 1.00 0.00 N ATOM 276 CA GLY A 20 4.142 -8.758 -3.064 1.00 0.00 C ATOM 277 C GLY A 20 3.112 -7.836 -3.721 1.00 0.00 C ATOM 278 O GLY A 20 2.491 -8.204 -4.717 1.00 0.00 O ATOM 0 H GLY A 20 4.856 -7.473 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.076 -8.723 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.788 -9.788 -3.099 1.00 0.00 H new ATOM 282 N PHE A 21 2.964 -6.656 -3.137 1.00 0.00 N ATOM 283 CA PHE A 21 2.021 -5.679 -3.654 1.00 0.00 C ATOM 284 C PHE A 21 2.692 -4.752 -4.669 1.00 0.00 C ATOM 285 O PHE A 21 2.986 -3.598 -4.361 1.00 0.00 O ATOM 286 CB PHE A 21 1.540 -4.848 -2.462 1.00 0.00 C ATOM 287 CG PHE A 21 0.549 -5.579 -1.554 1.00 0.00 C ATOM 288 CD1 PHE A 21 -0.639 -6.012 -2.053 1.00 0.00 C ATOM 289 CD2 PHE A 21 0.857 -5.794 -0.247 1.00 0.00 C ATOM 290 CE1 PHE A 21 -1.559 -6.690 -1.210 1.00 0.00 C ATOM 291 CE2 PHE A 21 -0.063 -6.472 0.597 1.00 0.00 C ATOM 292 CZ PHE A 21 -1.251 -6.906 0.097 1.00 0.00 C ATOM 0 H PHE A 21 3.481 -6.355 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 21 1.197 -6.187 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.404 -4.546 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.073 -3.936 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.883 -5.840 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.801 -5.449 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.503 -7.034 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.181 -6.643 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.950 -7.422 0.738 1.00 0.00 H new ATOM 302 N LEU A 22 2.915 -5.291 -5.858 1.00 0.00 N ATOM 303 CA LEU A 22 3.546 -4.527 -6.920 1.00 0.00 C ATOM 304 C LEU A 22 2.476 -3.749 -7.689 1.00 0.00 C ATOM 305 O LEU A 22 2.446 -3.776 -8.918 1.00 0.00 O ATOM 306 CB LEU A 22 4.397 -5.441 -7.806 1.00 0.00 C ATOM 307 CG LEU A 22 5.200 -6.521 -7.078 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.657 -6.031 -5.703 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.408 -7.826 -6.988 1.00 0.00 C ATOM 0 H LEU A 22 2.670 -6.249 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 22 4.236 -3.794 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.741 -5.928 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.091 -4.821 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 22 6.098 -6.730 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.225 -6.818 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.286 -5.149 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.786 -5.777 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.002 -8.577 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.481 -7.652 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.176 -8.181 -7.992 1.00 0.00 H new ATOM 321 N ASN A 23 1.623 -3.074 -6.932 1.00 0.00 N ATOM 322 CA ASN A 23 0.554 -2.290 -7.526 1.00 0.00 C ATOM 323 C ASN A 23 0.394 -0.982 -6.749 1.00 0.00 C ATOM 324 O ASN A 23 -0.668 -0.715 -6.188 1.00 0.00 O ATOM 325 CB ASN A 23 -0.777 -3.041 -7.468 1.00 0.00 C ATOM 326 CG ASN A 23 -1.664 -2.678 -8.661 1.00 0.00 C ATOM 327 OD1 ASN A 23 -1.329 -1.845 -9.486 1.00 0.00 O ATOM 328 ND2 ASN A 23 -2.812 -3.349 -8.705 1.00 0.00 N ATOM 0 H ASN A 23 1.651 -3.054 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 23 0.815 -2.098 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.592 -4.115 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.294 -2.800 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.473 -3.179 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.031 -4.034 -7.981 1.00 0.00 H new ATOM 335 N ARG A 24 1.464 -0.201 -6.740 1.00 0.00 N ATOM 336 CA ARG A 24 1.455 1.073 -6.041 1.00 0.00 C ATOM 337 C ARG A 24 0.141 1.812 -6.301 1.00 0.00 C ATOM 338 O ARG A 24 -0.587 2.140 -5.365 1.00 0.00 O ATOM 339 CB ARG A 24 2.625 1.953 -6.485 1.00 0.00 C ATOM 340 CG ARG A 24 3.962 1.349 -6.052 1.00 0.00 C ATOM 341 CD ARG A 24 4.921 2.436 -5.562 1.00 0.00 C ATOM 342 NE ARG A 24 6.314 2.075 -5.909 1.00 0.00 N ATOM 343 CZ ARG A 24 7.375 2.856 -5.666 1.00 0.00 C ATOM 344 NH1 ARG A 24 7.209 4.047 -5.074 1.00 0.00 N ATOM 345 NH2 ARG A 24 8.602 2.447 -6.016 1.00 0.00 N ATOM 0 H ARG A 24 2.343 -0.426 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 24 1.555 0.867 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.608 2.067 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.517 2.950 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.796 0.621 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.411 0.813 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.661 3.393 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.826 2.557 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 24 6.476 1.175 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.275 4.359 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.017 4.642 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.728 1.541 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.410 3.042 -5.831 1.00 0.00 H new ATOM 359 N GLU A 25 -0.122 2.054 -7.576 1.00 0.00 N ATOM 360 CA GLU A 25 -1.336 2.749 -7.971 1.00 0.00 C ATOM 361 C GLU A 25 -2.513 2.296 -7.105 1.00 0.00 C ATOM 362 O GLU A 25 -3.226 3.124 -6.539 1.00 0.00 O ATOM 363 CB GLU A 25 -1.633 2.532 -9.456 1.00 0.00 C ATOM 364 CG GLU A 25 -2.659 3.547 -9.964 1.00 0.00 C ATOM 365 CD GLU A 25 -3.903 2.843 -10.510 1.00 0.00 C ATOM 366 OE1 GLU A 25 -4.519 2.090 -9.726 1.00 0.00 O ATOM 367 OE2 GLU A 25 -4.210 3.075 -11.700 1.00 0.00 O ATOM 0 H GLU A 25 0.484 1.781 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.186 3.818 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.712 2.622 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.009 1.521 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.943 4.219 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.212 4.161 -10.746 1.00 0.00 H new ATOM 374 N ALA A 26 -2.679 0.984 -7.027 1.00 0.00 N ATOM 375 CA ALA A 26 -3.757 0.412 -6.239 1.00 0.00 C ATOM 376 C ALA A 26 -3.470 0.635 -4.753 1.00 0.00 C ATOM 377 O ALA A 26 -4.328 1.122 -4.018 1.00 0.00 O ATOM 378 CB ALA A 26 -3.913 -1.070 -6.587 1.00 0.00 C ATOM 0 H ALA A 26 -2.085 0.301 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.703 0.902 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.722 -1.499 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.145 -1.172 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.984 -1.595 -6.366 1.00 0.00 H new ATOM 384 N ASN A 27 -2.261 0.267 -4.354 1.00 0.00 N ATOM 385 CA ASN A 27 -1.851 0.421 -2.969 1.00 0.00 C ATOM 386 C ASN A 27 -2.205 1.830 -2.490 1.00 0.00 C ATOM 387 O ASN A 27 -2.828 1.995 -1.442 1.00 0.00 O ATOM 388 CB ASN A 27 -0.340 0.237 -2.819 1.00 0.00 C ATOM 389 CG ASN A 27 0.098 -1.139 -3.324 1.00 0.00 C ATOM 390 OD1 ASN A 27 -0.686 -2.067 -3.436 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.392 -1.219 -3.623 1.00 0.00 N ATOM 0 H ASN A 27 -1.552 -0.137 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.367 -0.336 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.182 1.016 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.058 0.351 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.782 -2.096 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.994 -0.404 -3.506 1.00 0.00 H new ATOM 398 N LEU A 28 -1.794 2.810 -3.281 1.00 0.00 N ATOM 399 CA LEU A 28 -2.060 4.200 -2.951 1.00 0.00 C ATOM 400 C LEU A 28 -3.553 4.375 -2.666 1.00 0.00 C ATOM 401 O LEU A 28 -3.947 4.621 -1.527 1.00 0.00 O ATOM 402 CB LEU A 28 -1.532 5.123 -4.051 1.00 0.00 C ATOM 403 CG LEU A 28 -1.019 6.489 -3.591 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.509 6.547 -3.640 1.00 0.00 C ATOM 405 CD2 LEU A 28 -1.661 7.617 -4.402 1.00 0.00 C ATOM 0 H LEU A 28 -1.279 2.669 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.526 4.485 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.723 4.610 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.329 5.282 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.313 6.631 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.847 7.529 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.923 5.780 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.847 6.373 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.279 8.577 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.419 7.490 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.743 7.588 -4.272 1.00 0.00 H new ATOM 417 N GLN A 29 -4.344 4.242 -3.721 1.00 0.00 N ATOM 418 CA GLN A 29 -5.785 4.382 -3.598 1.00 0.00 C ATOM 419 C GLN A 29 -6.278 3.701 -2.320 1.00 0.00 C ATOM 420 O GLN A 29 -6.965 4.319 -1.508 1.00 0.00 O ATOM 421 CB GLN A 29 -6.497 3.818 -4.829 1.00 0.00 C ATOM 422 CG GLN A 29 -6.692 4.900 -5.893 1.00 0.00 C ATOM 423 CD GLN A 29 -7.861 5.819 -5.534 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.855 5.406 -4.958 1.00 0.00 O ATOM 425 NE2 GLN A 29 -7.688 7.085 -5.904 1.00 0.00 N ATOM 0 H GLN A 29 -4.014 4.039 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.023 5.444 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.916 2.995 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.465 3.410 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.779 5.488 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.875 4.434 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.832 7.364 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.412 7.777 -5.709 1.00 0.00 H new ATOM 434 N ALA A 30 -5.907 2.437 -2.180 1.00 0.00 N ATOM 435 CA ALA A 30 -6.303 1.665 -1.014 1.00 0.00 C ATOM 436 C ALA A 30 -5.849 2.394 0.252 1.00 0.00 C ATOM 437 O ALA A 30 -6.654 2.655 1.145 1.00 0.00 O ATOM 438 CB ALA A 30 -5.722 0.253 -1.115 1.00 0.00 C ATOM 0 H ALA A 30 -5.336 1.928 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.388 1.568 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.019 -0.326 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.098 -0.232 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.634 0.309 -1.161 1.00 0.00 H new ATOM 444 N LEU A 31 -4.561 2.701 0.290 1.00 0.00 N ATOM 445 CA LEU A 31 -3.990 3.394 1.433 1.00 0.00 C ATOM 446 C LEU A 31 -4.765 4.691 1.676 1.00 0.00 C ATOM 447 O LEU A 31 -5.078 5.027 2.817 1.00 0.00 O ATOM 448 CB LEU A 31 -2.487 3.603 1.237 1.00 0.00 C ATOM 449 CG LEU A 31 -1.588 2.436 1.650 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.268 2.460 0.876 1.00 0.00 C ATOM 451 CD2 LEU A 31 -1.365 2.425 3.163 1.00 0.00 C ATOM 0 H LEU A 31 -3.896 2.483 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.089 2.789 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.305 3.821 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.186 4.485 1.802 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.095 1.506 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.352 1.620 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.471 2.383 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.256 3.394 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.723 1.586 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.889 3.357 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.324 2.324 3.671 1.00 0.00 H new ATOM 463 N ILE A 32 -5.050 5.386 0.584 1.00 0.00 N ATOM 464 CA ILE A 32 -5.782 6.638 0.664 1.00 0.00 C ATOM 465 C ILE A 32 -7.119 6.399 1.369 1.00 0.00 C ATOM 466 O ILE A 32 -7.483 7.135 2.284 1.00 0.00 O ATOM 467 CB ILE A 32 -5.923 7.267 -0.724 1.00 0.00 C ATOM 468 CG1 ILE A 32 -4.552 7.602 -1.315 1.00 0.00 C ATOM 469 CG2 ILE A 32 -6.843 8.488 -0.682 1.00 0.00 C ATOM 470 CD1 ILE A 32 -4.595 7.584 -2.844 1.00 0.00 C ATOM 0 H ILE A 32 -4.787 5.105 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.230 7.363 1.263 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.389 6.536 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.233 8.585 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.813 6.883 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.926 8.916 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.831 8.187 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.429 9.232 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.608 7.825 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.891 6.593 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.317 8.321 -3.196 1.00 0.00 H new ATOM 482 N ALA A 33 -7.814 5.366 0.915 1.00 0.00 N ATOM 483 CA ALA A 33 -9.103 5.020 1.491 1.00 0.00 C ATOM 484 C ALA A 33 -8.941 4.797 2.996 1.00 0.00 C ATOM 485 O ALA A 33 -9.566 5.487 3.800 1.00 0.00 O ATOM 486 CB ALA A 33 -9.667 3.790 0.777 1.00 0.00 C ATOM 0 H ALA A 33 -7.509 4.758 0.155 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.816 5.833 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.634 3.530 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.790 4.010 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.979 2.953 0.897 1.00 0.00 H new ATOM 492 N THR A 34 -8.098 3.832 3.332 1.00 0.00 N ATOM 493 CA THR A 34 -7.847 3.509 4.726 1.00 0.00 C ATOM 494 C THR A 34 -7.407 4.759 5.491 1.00 0.00 C ATOM 495 O THR A 34 -7.868 5.004 6.605 1.00 0.00 O ATOM 496 CB THR A 34 -6.820 2.376 4.771 1.00 0.00 C ATOM 497 OG1 THR A 34 -5.662 2.931 4.153 1.00 0.00 O ATOM 498 CG2 THR A 34 -7.201 1.204 3.865 1.00 0.00 C ATOM 0 H THR A 34 -7.580 3.263 2.663 1.00 0.00 H new ATOM 0 HA THR A 34 -8.754 3.164 5.222 1.00 0.00 H new ATOM 0 HB THR A 34 -6.715 2.022 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.934 3.601 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.439 0.428 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.162 0.798 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.274 1.550 2.834 1.00 0.00 H new ATOM 506 N GLY A 35 -6.520 5.517 4.863 1.00 0.00 N ATOM 507 CA GLY A 35 -6.012 6.735 5.470 1.00 0.00 C ATOM 508 C GLY A 35 -4.540 6.582 5.859 1.00 0.00 C ATOM 509 O GLY A 35 -4.087 7.178 6.835 1.00 0.00 O ATOM 0 H GLY A 35 -6.140 5.311 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.123 7.566 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.602 6.978 6.354 1.00 0.00 H new ATOM 513 N GLY A 36 -3.834 5.781 5.074 1.00 0.00 N ATOM 514 CA GLY A 36 -2.423 5.543 5.324 1.00 0.00 C ATOM 515 C GLY A 36 -2.227 4.359 6.274 1.00 0.00 C ATOM 516 O GLY A 36 -1.450 4.444 7.224 1.00 0.00 O ATOM 0 H GLY A 36 -4.213 5.289 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.911 5.347 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.970 6.437 5.753 1.00 0.00 H new ATOM 520 N ASP A 37 -2.944 3.284 5.984 1.00 0.00 N ATOM 521 CA ASP A 37 -2.859 2.085 6.801 1.00 0.00 C ATOM 522 C ASP A 37 -2.556 0.883 5.904 1.00 0.00 C ATOM 523 O ASP A 37 -3.081 0.783 4.796 1.00 0.00 O ATOM 524 CB ASP A 37 -4.180 1.815 7.524 1.00 0.00 C ATOM 525 CG ASP A 37 -4.064 0.961 8.787 1.00 0.00 C ATOM 526 OD1 ASP A 37 -3.440 1.455 9.751 1.00 0.00 O ATOM 527 OD2 ASP A 37 -4.600 -0.168 8.760 1.00 0.00 O ATOM 0 H ASP A 37 -3.587 3.218 5.195 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.070 2.234 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.633 2.770 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.861 1.321 6.831 1.00 0.00 H new ATOM 532 N VAL A 38 -1.711 0.001 6.417 1.00 0.00 N ATOM 533 CA VAL A 38 -1.333 -1.191 5.676 1.00 0.00 C ATOM 534 C VAL A 38 -2.328 -2.313 5.980 1.00 0.00 C ATOM 535 O VAL A 38 -3.006 -2.807 5.080 1.00 0.00 O ATOM 536 CB VAL A 38 0.114 -1.571 6.000 1.00 0.00 C ATOM 537 CG1 VAL A 38 0.443 -2.971 5.477 1.00 0.00 C ATOM 538 CG2 VAL A 38 1.091 -0.534 5.444 1.00 0.00 C ATOM 0 H VAL A 38 -1.277 0.088 7.336 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.374 -1.003 4.603 1.00 0.00 H new ATOM 0 HB VAL A 38 0.222 -1.585 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.477 -3.217 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.222 -3.699 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.309 -2.996 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.112 -0.828 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.980 -0.473 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.878 0.440 5.886 1.00 0.00 H new ATOM 548 N ASP A 39 -2.384 -2.682 7.251 1.00 0.00 N ATOM 549 CA ASP A 39 -3.285 -3.736 7.685 1.00 0.00 C ATOM 550 C ASP A 39 -4.633 -3.571 6.980 1.00 0.00 C ATOM 551 O ASP A 39 -5.137 -4.511 6.367 1.00 0.00 O ATOM 552 CB ASP A 39 -3.529 -3.667 9.193 1.00 0.00 C ATOM 553 CG ASP A 39 -3.698 -5.021 9.884 1.00 0.00 C ATOM 554 OD1 ASP A 39 -2.758 -5.837 9.772 1.00 0.00 O ATOM 555 OD2 ASP A 39 -4.764 -5.211 10.509 1.00 0.00 O ATOM 0 H ASP A 39 -1.820 -2.270 7.994 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.827 -4.694 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.695 -3.141 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.423 -3.070 9.374 1.00 0.00 H new ATOM 560 N ALA A 40 -5.179 -2.369 7.090 1.00 0.00 N ATOM 561 CA ALA A 40 -6.459 -2.068 6.471 1.00 0.00 C ATOM 562 C ALA A 40 -6.339 -2.238 4.955 1.00 0.00 C ATOM 563 O ALA A 40 -7.148 -2.931 4.339 1.00 0.00 O ATOM 564 CB ALA A 40 -6.899 -0.658 6.867 1.00 0.00 C ATOM 0 H ALA A 40 -4.758 -1.592 7.599 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.227 -2.758 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.859 -0.433 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.997 -0.599 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.155 0.063 6.530 1.00 0.00 H new ATOM 570 N ALA A 41 -5.325 -1.593 4.398 1.00 0.00 N ATOM 571 CA ALA A 41 -5.090 -1.663 2.966 1.00 0.00 C ATOM 572 C ALA A 41 -5.065 -3.129 2.529 1.00 0.00 C ATOM 573 O ALA A 41 -5.841 -3.536 1.665 1.00 0.00 O ATOM 574 CB ALA A 41 -3.789 -0.932 2.625 1.00 0.00 C ATOM 0 H ALA A 41 -4.657 -1.019 4.912 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.894 -1.169 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.613 -0.985 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.868 0.112 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.959 -1.402 3.152 1.00 0.00 H new ATOM 580 N VAL A 42 -4.167 -3.883 3.146 1.00 0.00 N ATOM 581 CA VAL A 42 -4.032 -5.295 2.831 1.00 0.00 C ATOM 582 C VAL A 42 -5.421 -5.932 2.758 1.00 0.00 C ATOM 583 O VAL A 42 -5.758 -6.583 1.771 1.00 0.00 O ATOM 584 CB VAL A 42 -3.115 -5.973 3.852 1.00 0.00 C ATOM 585 CG1 VAL A 42 -3.089 -7.488 3.643 1.00 0.00 C ATOM 586 CG2 VAL A 42 -1.703 -5.387 3.796 1.00 0.00 C ATOM 0 H VAL A 42 -3.526 -3.543 3.862 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.563 -5.426 1.856 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.518 -5.778 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.430 -7.946 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.096 -7.888 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.722 -7.711 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.072 -5.887 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.286 -5.536 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.743 -4.320 4.017 1.00 0.00 H new ATOM 596 N GLU A 43 -6.189 -5.722 3.817 1.00 0.00 N ATOM 597 CA GLU A 43 -7.534 -6.268 3.885 1.00 0.00 C ATOM 598 C GLU A 43 -8.313 -5.922 2.614 1.00 0.00 C ATOM 599 O GLU A 43 -9.125 -6.716 2.144 1.00 0.00 O ATOM 600 CB GLU A 43 -8.267 -5.766 5.131 1.00 0.00 C ATOM 601 CG GLU A 43 -7.656 -6.359 6.402 1.00 0.00 C ATOM 602 CD GLU A 43 -8.277 -7.719 6.726 1.00 0.00 C ATOM 603 OE1 GLU A 43 -9.507 -7.743 6.947 1.00 0.00 O ATOM 604 OE2 GLU A 43 -7.508 -8.704 6.744 1.00 0.00 O ATOM 0 H GLU A 43 -5.906 -5.182 4.634 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.461 -7.353 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.218 -4.678 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.322 -6.035 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.579 -6.468 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.811 -5.676 7.237 1.00 0.00 H new ATOM 611 N LYS A 44 -8.037 -4.734 2.095 1.00 0.00 N ATOM 612 CA LYS A 44 -8.702 -4.273 0.887 1.00 0.00 C ATOM 613 C LYS A 44 -7.994 -4.861 -0.335 1.00 0.00 C ATOM 614 O LYS A 44 -8.599 -5.594 -1.115 1.00 0.00 O ATOM 615 CB LYS A 44 -8.788 -2.746 0.873 1.00 0.00 C ATOM 616 CG LYS A 44 -10.195 -2.273 1.244 1.00 0.00 C ATOM 617 CD LYS A 44 -10.285 -1.933 2.733 1.00 0.00 C ATOM 618 CE LYS A 44 -11.714 -1.552 3.123 1.00 0.00 C ATOM 619 NZ LYS A 44 -11.908 -1.693 4.584 1.00 0.00 N ATOM 0 H LYS A 44 -7.363 -4.077 2.488 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.732 -4.627 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.064 -2.331 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.524 -2.372 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.456 -1.396 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.920 -3.050 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.958 -2.788 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.610 -1.109 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.918 -0.525 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.424 -2.187 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.883 -1.430 4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.733 -2.679 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.244 -1.068 5.084 1.00 0.00 H new ATOM 633 N LEU A 45 -6.721 -4.516 -0.465 1.00 0.00 N ATOM 634 CA LEU A 45 -5.924 -4.999 -1.579 1.00 0.00 C ATOM 635 C LEU A 45 -6.248 -6.473 -1.831 1.00 0.00 C ATOM 636 O LEU A 45 -6.388 -6.895 -2.978 1.00 0.00 O ATOM 637 CB LEU A 45 -4.438 -4.730 -1.332 1.00 0.00 C ATOM 638 CG LEU A 45 -3.956 -3.309 -1.628 1.00 0.00 C ATOM 639 CD1 LEU A 45 -2.604 -3.040 -0.965 1.00 0.00 C ATOM 640 CD2 LEU A 45 -3.919 -3.044 -3.134 1.00 0.00 C ATOM 0 H LEU A 45 -6.222 -3.907 0.184 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.175 -4.456 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.216 -4.958 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.857 -5.424 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.672 -2.609 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.284 -2.023 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.698 -3.159 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.865 -3.746 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.573 -2.027 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.239 -3.750 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.919 -3.167 -3.550 1.00 0.00 H new ATOM 652 N ARG A 46 -6.359 -7.216 -0.739 1.00 0.00 N ATOM 653 CA ARG A 46 -6.664 -8.634 -0.827 1.00 0.00 C ATOM 654 C ARG A 46 -8.045 -8.842 -1.451 1.00 0.00 C ATOM 655 O ARG A 46 -8.176 -9.528 -2.464 1.00 0.00 O ATOM 656 CB ARG A 46 -6.633 -9.291 0.555 1.00 0.00 C ATOM 657 CG ARG A 46 -5.194 -9.545 1.009 1.00 0.00 C ATOM 658 CD ARG A 46 -5.161 -10.422 2.262 1.00 0.00 C ATOM 659 NE ARG A 46 -4.072 -11.419 2.153 1.00 0.00 N ATOM 660 CZ ARG A 46 -3.740 -12.277 3.127 1.00 0.00 C ATOM 661 NH1 ARG A 46 -4.410 -12.266 4.288 1.00 0.00 N ATOM 662 NH2 ARG A 46 -2.738 -13.147 2.940 1.00 0.00 N ATOM 0 H ARG A 46 -6.243 -6.863 0.211 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.904 -9.098 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.138 -8.650 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.181 -10.233 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.636 -10.029 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.700 -8.595 1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.011 -9.802 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.118 -10.929 2.387 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.542 -11.455 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.173 -11.604 4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.157 -12.919 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.228 -13.156 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.485 -13.800 3.681 1.00 0.00 H new ATOM 676 N GLN A 47 -9.042 -8.238 -0.821 1.00 0.00 N ATOM 677 CA GLN A 47 -10.408 -8.348 -1.303 1.00 0.00 C ATOM 678 C GLN A 47 -10.463 -8.090 -2.810 1.00 0.00 C ATOM 679 O GLN A 47 -10.954 -8.924 -3.568 1.00 0.00 O ATOM 680 CB GLN A 47 -11.334 -7.391 -0.549 1.00 0.00 C ATOM 681 CG GLN A 47 -12.051 -8.109 0.595 1.00 0.00 C ATOM 682 CD GLN A 47 -11.637 -7.532 1.951 1.00 0.00 C ATOM 683 OE1 GLN A 47 -11.701 -6.338 2.192 1.00 0.00 O ATOM 684 NE2 GLN A 47 -11.209 -8.445 2.819 1.00 0.00 N ATOM 0 H GLN A 47 -8.931 -7.671 0.019 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.757 -9.363 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.756 -6.556 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.068 -6.972 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.130 -8.014 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.819 -9.174 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.181 -9.429 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.909 -8.161 3.752 1.00 0.00 H new ATOM 693 N SER A 48 -9.951 -6.931 -3.199 1.00 0.00 N ATOM 694 CA SER A 48 -9.935 -6.554 -4.602 1.00 0.00 C ATOM 695 C SER A 48 -9.381 -7.702 -5.447 1.00 0.00 C ATOM 696 O SER A 48 -10.065 -8.212 -6.333 1.00 0.00 O ATOM 697 CB SER A 48 -9.107 -5.286 -4.821 1.00 0.00 C ATOM 698 OG SER A 48 -9.762 -4.364 -5.688 1.00 0.00 O ATOM 0 H SER A 48 -9.544 -6.241 -2.567 1.00 0.00 H new ATOM 0 HA SER A 48 -10.959 -6.346 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.916 -4.807 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.138 -5.554 -5.242 1.00 0.00 H new ATOM 0 HG SER A 48 -9.203 -3.567 -5.801 1.00 0.00 H new ATOM 704 N SER A 49 -8.147 -8.076 -5.143 1.00 0.00 N ATOM 705 CA SER A 49 -7.493 -9.155 -5.864 1.00 0.00 C ATOM 706 C SER A 49 -6.230 -9.592 -5.118 1.00 0.00 C ATOM 707 O SER A 49 -5.183 -8.958 -5.239 1.00 0.00 O ATOM 708 CB SER A 49 -7.146 -8.732 -7.293 1.00 0.00 C ATOM 709 OG SER A 49 -7.577 -9.693 -8.253 1.00 0.00 O ATOM 0 H SER A 49 -7.583 -7.651 -4.407 1.00 0.00 H new ATOM 0 HA SER A 49 -8.184 -9.996 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.610 -7.770 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.068 -8.592 -7.378 1.00 0.00 H new ATOM 0 HG SER A 49 -7.339 -9.386 -9.153 1.00 0.00 H new ATOM 715 N GLY A 50 -6.371 -10.673 -4.364 1.00 0.00 N ATOM 716 CA GLY A 50 -5.254 -11.202 -3.600 1.00 0.00 C ATOM 717 C GLY A 50 -4.788 -12.544 -4.168 1.00 0.00 C ATOM 718 O GLY A 50 -5.371 -13.585 -3.869 1.00 0.00 O ATOM 0 H GLY A 50 -7.241 -11.196 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.429 -10.490 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.548 -11.327 -2.558 1.00 0.00 H new ATOM 722 N PRO A 51 -3.713 -12.474 -4.998 1.00 0.00 N ATOM 723 CA PRO A 51 -3.162 -13.671 -5.611 1.00 0.00 C ATOM 724 C PRO A 51 -2.366 -14.491 -4.594 1.00 0.00 C ATOM 725 O PRO A 51 -1.242 -14.132 -4.245 1.00 0.00 O ATOM 726 CB PRO A 51 -2.310 -13.166 -6.764 1.00 0.00 C ATOM 727 CG PRO A 51 -2.042 -11.698 -6.473 1.00 0.00 C ATOM 728 CD PRO A 51 -2.998 -11.259 -5.375 1.00 0.00 C ATOM 0 HA PRO A 51 -3.933 -14.352 -5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.378 -13.726 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.829 -13.287 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.008 -11.553 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.190 -11.098 -7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.459 -10.837 -4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.684 -10.490 -5.731 1.00 0.00 H new ATOM 736 N SER A 52 -2.980 -15.576 -4.146 1.00 0.00 N ATOM 737 CA SER A 52 -2.342 -16.450 -3.176 1.00 0.00 C ATOM 738 C SER A 52 -1.107 -17.107 -3.795 1.00 0.00 C ATOM 739 O SER A 52 -1.082 -17.386 -4.993 1.00 0.00 O ATOM 740 CB SER A 52 -3.316 -17.518 -2.673 1.00 0.00 C ATOM 741 OG SER A 52 -2.793 -18.234 -1.558 1.00 0.00 O ATOM 0 H SER A 52 -3.912 -15.870 -4.437 1.00 0.00 H new ATOM 0 HA SER A 52 -2.034 -15.846 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.258 -17.046 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.538 -18.216 -3.480 1.00 0.00 H new ATOM 0 HG SER A 52 -3.445 -18.905 -1.265 1.00 0.00 H new ATOM 747 N SER A 53 -0.111 -17.334 -2.951 1.00 0.00 N ATOM 748 CA SER A 53 1.124 -17.953 -3.400 1.00 0.00 C ATOM 749 C SER A 53 1.607 -17.283 -4.688 1.00 0.00 C ATOM 750 O SER A 53 1.355 -17.783 -5.784 1.00 0.00 O ATOM 751 CB SER A 53 0.940 -19.456 -3.620 1.00 0.00 C ATOM 752 OG SER A 53 0.858 -20.169 -2.390 1.00 0.00 O ATOM 0 H SER A 53 -0.135 -17.100 -1.958 1.00 0.00 H new ATOM 0 HA SER A 53 1.876 -17.817 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.034 -19.629 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.773 -19.841 -4.207 1.00 0.00 H new ATOM 0 HG SER A 53 0.739 -21.124 -2.573 1.00 0.00 H new ATOM 758 N GLY A 54 2.291 -16.162 -4.515 1.00 0.00 N ATOM 759 CA GLY A 54 2.811 -15.419 -5.650 1.00 0.00 C ATOM 760 C GLY A 54 3.995 -16.148 -6.287 1.00 0.00 C ATOM 761 O GLY A 54 4.638 -15.621 -7.194 1.00 0.00 O ATOM 0 H GLY A 54 2.497 -15.750 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.023 -15.281 -6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.122 -14.426 -5.327 1.00 0.00 H new TER 765 GLY A 54