USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 377 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 35 ASN : amide:sc= 0 X(o=0.22,f=0.22) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.217 K(o=0.22,f=-4.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= -1.78! (180deg=-3.52!) USER MOD Single : A 29 ASN : amide:sc= -5.31! C(o=-5.3!,f=-9.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.318) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -1.010 -9.250 -2.096 1.00 0.00 N ATOM 21 CA GLU A 2 -1.688 -8.581 -0.988 1.00 0.00 C ATOM 22 C GLU A 2 -0.686 -8.063 0.044 1.00 0.00 C ATOM 23 O GLU A 2 0.360 -8.672 0.271 1.00 0.00 O ATOM 24 CB GLU A 2 -2.674 -9.507 -0.281 1.00 0.00 C ATOM 25 CG GLU A 2 -3.701 -10.113 -1.218 1.00 0.00 C ATOM 26 CD GLU A 2 -4.901 -10.680 -0.485 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.588 -9.905 0.214 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.154 -11.896 -0.609 1.00 0.00 O ATOM 0 HA GLU A 2 -2.233 -7.745 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.122 -10.308 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.189 -8.949 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.037 -9.352 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.231 -10.904 -1.803 1.00 0.00 H new ATOM 35 N ALA A 3 -1.043 -6.970 0.706 1.00 0.00 N ATOM 36 CA ALA A 3 -0.192 -6.393 1.738 1.00 0.00 C ATOM 37 C ALA A 3 -1.018 -5.756 2.848 1.00 0.00 C ATOM 38 O ALA A 3 -2.230 -5.578 2.726 1.00 0.00 O ATOM 39 CB ALA A 3 0.743 -5.360 1.133 1.00 0.00 C ATOM 0 H ALA A 3 -1.915 -6.466 0.547 1.00 0.00 H new ATOM 0 HA ALA A 3 0.396 -7.201 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.373 -4.937 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.371 -5.835 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.157 -4.566 0.670 1.00 0.00 H new ATOM 45 N ILE A 4 -0.327 -5.416 3.931 1.00 0.00 N ATOM 46 CA ILE A 4 -0.977 -4.796 5.080 1.00 0.00 C ATOM 47 C ILE A 4 -0.144 -3.665 5.663 1.00 0.00 C ATOM 48 O ILE A 4 1.073 -3.784 5.811 1.00 0.00 O ATOM 49 CB ILE A 4 -1.263 -5.803 6.210 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.774 -7.119 5.609 1.00 0.00 C ATOM 51 CG2 ILE A 4 -2.261 -5.218 7.197 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.588 -7.986 6.556 1.00 0.00 C ATOM 0 H ILE A 4 0.677 -5.558 4.037 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.919 -4.405 4.696 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.342 -6.010 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.385 -6.889 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.919 -7.696 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.454 -5.940 7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.852 -4.305 7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.193 -4.989 6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.903 -8.892 6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.978 -8.254 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.467 -7.434 6.890 1.00 0.00 H new ATOM 64 N ALA A 5 -0.820 -2.586 6.040 1.00 0.00 N ATOM 65 CA ALA A 5 -0.163 -1.438 6.646 1.00 0.00 C ATOM 66 C ALA A 5 0.335 -1.755 8.056 1.00 0.00 C ATOM 67 O ALA A 5 -0.461 -2.038 8.952 1.00 0.00 O ATOM 68 CB ALA A 5 -1.113 -0.255 6.668 1.00 0.00 C ATOM 0 H ALA A 5 -1.829 -2.484 5.935 1.00 0.00 H new ATOM 0 HA ALA A 5 0.709 -1.187 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.616 0.602 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.407 -0.005 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.999 -0.511 7.249 1.00 0.00 H new ATOM 74 N LYS A 6 1.640 -1.635 8.268 1.00 0.00 N ATOM 75 CA LYS A 6 2.215 -1.856 9.598 1.00 0.00 C ATOM 76 C LYS A 6 2.147 -0.562 10.415 1.00 0.00 C ATOM 77 O LYS A 6 2.076 -0.587 11.643 1.00 0.00 O ATOM 78 CB LYS A 6 3.657 -2.365 9.500 1.00 0.00 C ATOM 79 CG LYS A 6 4.616 -1.379 8.852 1.00 0.00 C ATOM 80 CD LYS A 6 5.298 -0.498 9.887 1.00 0.00 C ATOM 81 CE LYS A 6 6.766 -0.856 10.060 1.00 0.00 C ATOM 82 NZ LYS A 6 6.952 -2.067 10.906 1.00 0.00 N ATOM 0 H LYS A 6 2.318 -1.389 7.547 1.00 0.00 H new ATOM 0 HA LYS A 6 1.631 -2.624 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.017 -2.602 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.666 -3.294 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.370 -1.924 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.072 -0.754 8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.212 0.546 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.785 -0.598 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.215 -1.026 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.293 -0.015 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.967 -2.274 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.547 -1.897 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.472 -2.877 10.464 1.00 0.00 H new ATOM 96 N HIS A 7 2.145 0.561 9.706 1.00 0.00 N ATOM 97 CA HIS A 7 2.057 1.861 10.351 1.00 0.00 C ATOM 98 C HIS A 7 1.376 2.835 9.390 1.00 0.00 C ATOM 99 O HIS A 7 1.806 3.013 8.251 1.00 0.00 O ATOM 100 CB HIS A 7 3.459 2.314 10.776 1.00 0.00 C ATOM 101 CG HIS A 7 3.794 3.726 10.450 1.00 0.00 C ATOM 102 ND1 HIS A 7 2.938 4.775 10.683 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.909 4.262 9.905 1.00 0.00 C ATOM 104 CE1 HIS A 7 3.506 5.894 10.293 1.00 0.00 C ATOM 105 NE2 HIS A 7 4.705 5.614 9.818 1.00 0.00 N ATOM 0 H HIS A 7 2.203 0.595 8.688 1.00 0.00 H new ATOM 0 HA HIS A 7 1.454 1.817 11.258 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.558 2.173 11.852 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.193 1.664 10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.794 3.725 9.596 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.065 6.878 10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.370 6.292 9.447 1.00 0.00 H new ATOM 114 N ASP A 8 0.399 3.569 9.939 1.00 0.00 N ATOM 115 CA ASP A 8 -0.347 4.596 9.195 1.00 0.00 C ATOM 116 C ASP A 8 0.492 5.285 8.120 1.00 0.00 C ATOM 117 O ASP A 8 1.697 5.482 8.282 1.00 0.00 O ATOM 118 CB ASP A 8 -0.942 5.647 10.147 1.00 0.00 C ATOM 119 CG ASP A 8 -0.206 5.751 11.471 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.361 4.838 12.309 1.00 0.00 O ATOM 121 OD2 ASP A 8 0.519 6.749 11.672 1.00 0.00 O ATOM 0 H ASP A 8 0.103 3.469 10.910 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.155 4.069 8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.928 6.620 9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.986 5.402 10.339 1.00 0.00 H new ATOM 126 N PHE A 9 -0.163 5.624 7.008 1.00 0.00 N ATOM 127 CA PHE A 9 0.531 6.278 5.907 1.00 0.00 C ATOM 128 C PHE A 9 -0.308 7.371 5.243 1.00 0.00 C ATOM 129 O PHE A 9 -1.390 7.112 4.716 1.00 0.00 O ATOM 130 CB PHE A 9 0.967 5.278 4.827 1.00 0.00 C ATOM 131 CG PHE A 9 0.343 5.433 3.466 1.00 0.00 C ATOM 132 CD1 PHE A 9 0.659 6.510 2.650 1.00 0.00 C ATOM 133 CD2 PHE A 9 -0.518 4.466 2.986 1.00 0.00 C ATOM 134 CE1 PHE A 9 0.131 6.610 1.378 1.00 0.00 C ATOM 135 CE2 PHE A 9 -1.058 4.565 1.720 1.00 0.00 C ATOM 136 CZ PHE A 9 -0.730 5.636 0.914 1.00 0.00 C ATOM 0 H PHE A 9 -1.157 5.458 6.851 1.00 0.00 H new ATOM 0 HA PHE A 9 1.410 6.736 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.049 5.350 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.750 4.273 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.325 7.278 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.772 3.621 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.391 7.448 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.736 3.805 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.147 5.712 -0.079 1.00 0.00 H new ATOM 146 N SER A 10 0.273 8.559 5.170 1.00 0.00 N ATOM 147 CA SER A 10 -0.342 9.692 4.494 1.00 0.00 C ATOM 148 C SER A 10 0.558 10.119 3.338 1.00 0.00 C ATOM 149 O SER A 10 1.768 10.297 3.497 1.00 0.00 O ATOM 150 CB SER A 10 -0.591 10.830 5.487 1.00 0.00 C ATOM 151 OG SER A 10 0.563 11.638 5.647 1.00 0.00 O ATOM 0 H SER A 10 1.185 8.765 5.578 1.00 0.00 H new ATOM 0 HA SER A 10 -1.314 9.412 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.422 11.444 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.884 10.416 6.452 1.00 0.00 H new ATOM 0 HG SER A 10 0.373 12.357 6.285 1.00 0.00 H new ATOM 157 N ALA A 11 -0.052 10.227 2.159 1.00 0.00 N ATOM 158 CA ALA A 11 0.643 10.565 0.936 1.00 0.00 C ATOM 159 C ALA A 11 1.451 11.845 1.041 1.00 0.00 C ATOM 160 O ALA A 11 1.046 12.818 1.679 1.00 0.00 O ATOM 161 CB ALA A 11 -0.377 10.714 -0.183 1.00 0.00 C ATOM 0 H ALA A 11 -1.053 10.079 2.034 1.00 0.00 H new ATOM 0 HA ALA A 11 1.347 9.759 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.135 10.969 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.915 9.775 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.083 11.505 0.071 1.00 0.00 H new ATOM 167 N THR A 12 2.641 11.788 0.460 1.00 0.00 N ATOM 168 CA THR A 12 3.563 12.907 0.482 1.00 0.00 C ATOM 169 C THR A 12 3.668 13.498 -0.928 1.00 0.00 C ATOM 170 O THR A 12 4.473 14.393 -1.194 1.00 0.00 O ATOM 171 CB THR A 12 4.911 12.474 1.096 1.00 0.00 C ATOM 172 OG1 THR A 12 4.896 12.653 2.500 1.00 0.00 O ATOM 173 CG2 THR A 12 6.119 13.213 0.556 1.00 0.00 C ATOM 0 H THR A 12 2.990 10.968 -0.036 1.00 0.00 H new ATOM 0 HA THR A 12 3.196 13.706 1.126 1.00 0.00 H new ATOM 0 HB THR A 12 5.013 11.425 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.757 12.372 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.020 12.843 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.195 13.049 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.011 14.280 0.753 1.00 0.00 H new ATOM 181 N ALA A 13 2.795 13.018 -1.803 1.00 0.00 N ATOM 182 CA ALA A 13 2.724 13.496 -3.172 1.00 0.00 C ATOM 183 C ALA A 13 1.314 13.299 -3.712 1.00 0.00 C ATOM 184 O ALA A 13 0.485 12.622 -3.103 1.00 0.00 O ATOM 185 CB ALA A 13 3.750 12.763 -4.025 1.00 0.00 C ATOM 0 H ALA A 13 2.118 12.288 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 13 2.954 14.561 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.694 13.124 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.749 12.946 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.542 11.693 -4.005 1.00 0.00 H new ATOM 191 N ASP A 14 1.043 13.941 -4.836 1.00 0.00 N ATOM 192 CA ASP A 14 -0.277 13.907 -5.455 1.00 0.00 C ATOM 193 C ASP A 14 -0.656 12.533 -5.977 1.00 0.00 C ATOM 194 O ASP A 14 -1.839 12.213 -6.104 1.00 0.00 O ATOM 195 CB ASP A 14 -0.347 14.923 -6.595 1.00 0.00 C ATOM 196 CG ASP A 14 -0.199 16.351 -6.106 1.00 0.00 C ATOM 197 OD1 ASP A 14 -1.145 16.860 -5.470 1.00 0.00 O ATOM 198 OD2 ASP A 14 0.863 16.958 -6.362 1.00 0.00 O ATOM 0 H ASP A 14 1.727 14.500 -5.346 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.993 14.162 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.438 14.707 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.299 14.817 -7.115 1.00 0.00 H new ATOM 203 N ASP A 15 0.340 11.763 -6.367 1.00 0.00 N ATOM 204 CA ASP A 15 0.095 10.462 -6.955 1.00 0.00 C ATOM 205 C ASP A 15 0.096 9.301 -5.956 1.00 0.00 C ATOM 206 O ASP A 15 0.224 8.134 -6.329 1.00 0.00 O ATOM 207 CB ASP A 15 1.140 10.188 -8.039 1.00 0.00 C ATOM 208 CG ASP A 15 2.555 10.412 -7.547 1.00 0.00 C ATOM 209 OD1 ASP A 15 3.049 9.581 -6.756 1.00 0.00 O ATOM 210 OD2 ASP A 15 3.173 11.420 -7.953 1.00 0.00 O ATOM 0 H ASP A 15 1.325 12.015 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.913 10.508 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.038 9.160 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.949 10.835 -8.895 1.00 0.00 H new ATOM 215 N GLU A 16 -0.048 9.657 -4.666 1.00 0.00 N ATOM 216 CA GLU A 16 -0.069 8.695 -3.574 1.00 0.00 C ATOM 217 C GLU A 16 -1.443 8.633 -2.901 1.00 0.00 C ATOM 218 O GLU A 16 -2.285 9.512 -3.089 1.00 0.00 O ATOM 219 CB GLU A 16 1.003 9.061 -2.544 1.00 0.00 C ATOM 220 CG GLU A 16 2.402 8.620 -2.945 1.00 0.00 C ATOM 221 CD GLU A 16 3.471 9.645 -2.619 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.460 10.180 -1.491 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.325 9.907 -3.494 1.00 0.00 O ATOM 0 H GLU A 16 -0.153 10.625 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 16 0.141 7.709 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.999 10.141 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.747 8.606 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.639 7.684 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.418 8.416 -4.016 1.00 0.00 H new ATOM 230 N LEU A 17 -1.635 7.597 -2.095 1.00 0.00 N ATOM 231 CA LEU A 17 -2.900 7.437 -1.379 1.00 0.00 C ATOM 232 C LEU A 17 -2.700 7.624 0.132 1.00 0.00 C ATOM 233 O LEU A 17 -1.848 8.409 0.552 1.00 0.00 O ATOM 234 CB LEU A 17 -3.528 6.076 -1.705 1.00 0.00 C ATOM 235 CG LEU A 17 -5.049 6.109 -1.918 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.439 5.359 -3.174 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.789 5.508 -0.744 1.00 0.00 C ATOM 0 H LEU A 17 -0.946 6.865 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.591 8.211 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.057 5.679 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.303 5.383 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.328 7.158 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.521 5.398 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.956 5.818 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.121 4.320 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.862 5.549 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.483 4.470 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.556 6.071 0.160 1.00 0.00 H new ATOM 249 N SER A 18 -3.460 6.892 0.950 1.00 0.00 N ATOM 250 CA SER A 18 -3.351 6.960 2.403 1.00 0.00 C ATOM 251 C SER A 18 -3.870 5.652 3.005 1.00 0.00 C ATOM 252 O SER A 18 -4.697 4.975 2.393 1.00 0.00 O ATOM 253 CB SER A 18 -4.158 8.129 2.977 1.00 0.00 C ATOM 254 OG SER A 18 -4.061 9.273 2.145 1.00 0.00 O ATOM 0 H SER A 18 -4.168 6.236 0.620 1.00 0.00 H new ATOM 0 HA SER A 18 -2.302 7.114 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.203 7.838 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.795 8.370 3.976 1.00 0.00 H new ATOM 0 HG SER A 18 -4.586 10.005 2.532 1.00 0.00 H new ATOM 260 N PHE A 19 -3.380 5.285 4.187 1.00 0.00 N ATOM 261 CA PHE A 19 -3.806 4.041 4.829 1.00 0.00 C ATOM 262 C PHE A 19 -3.421 4.017 6.307 1.00 0.00 C ATOM 263 O PHE A 19 -2.616 4.830 6.762 1.00 0.00 O ATOM 264 CB PHE A 19 -3.176 2.856 4.094 1.00 0.00 C ATOM 265 CG PHE A 19 -4.105 1.704 3.841 1.00 0.00 C ATOM 266 CD1 PHE A 19 -5.429 1.909 3.480 1.00 0.00 C ATOM 267 CD2 PHE A 19 -3.638 0.408 3.944 1.00 0.00 C ATOM 268 CE1 PHE A 19 -6.265 0.834 3.235 1.00 0.00 C ATOM 269 CE2 PHE A 19 -4.465 -0.667 3.697 1.00 0.00 C ATOM 270 CZ PHE A 19 -5.781 -0.455 3.341 1.00 0.00 C ATOM 0 H PHE A 19 -2.695 5.824 4.716 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.892 3.973 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.785 3.206 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.326 2.498 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.810 2.916 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.609 0.234 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.296 1.003 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.083 -1.674 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.431 -1.295 3.146 1.00 0.00 H new ATOM 280 N ARG A 20 -4.023 3.098 7.064 1.00 0.00 N ATOM 281 CA ARG A 20 -3.764 2.991 8.500 1.00 0.00 C ATOM 282 C ARG A 20 -3.431 1.554 8.919 1.00 0.00 C ATOM 283 O ARG A 20 -3.764 0.594 8.224 1.00 0.00 O ATOM 284 CB ARG A 20 -4.968 3.529 9.292 1.00 0.00 C ATOM 285 CG ARG A 20 -6.146 2.570 9.400 1.00 0.00 C ATOM 286 CD ARG A 20 -6.628 2.094 8.037 1.00 0.00 C ATOM 287 NE ARG A 20 -6.875 3.197 7.109 1.00 0.00 N ATOM 288 CZ ARG A 20 -7.914 4.023 7.187 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.800 3.899 8.169 1.00 0.00 N ATOM 290 NH2 ARG A 20 -8.067 4.977 6.278 1.00 0.00 N ATOM 0 H ARG A 20 -4.693 2.417 6.706 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.888 3.598 8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.636 3.788 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.311 4.451 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.857 1.709 10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.966 3.063 9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.884 1.423 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.544 1.517 8.161 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.206 3.342 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.686 3.166 8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.595 4.536 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.389 5.075 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.863 5.612 6.335 1.00 0.00 H new ATOM 304 N LYS A 21 -2.759 1.432 10.064 1.00 0.00 N ATOM 305 CA LYS A 21 -2.357 0.129 10.596 1.00 0.00 C ATOM 306 C LYS A 21 -3.551 -0.807 10.749 1.00 0.00 C ATOM 307 O LYS A 21 -4.586 -0.436 11.303 1.00 0.00 O ATOM 308 CB LYS A 21 -1.629 0.302 11.937 1.00 0.00 C ATOM 309 CG LYS A 21 -2.541 0.612 13.120 1.00 0.00 C ATOM 310 CD LYS A 21 -3.082 -0.649 13.789 1.00 0.00 C ATOM 311 CE LYS A 21 -1.971 -1.551 14.305 1.00 0.00 C ATOM 312 NZ LYS A 21 -2.413 -2.969 14.397 1.00 0.00 N ATOM 0 H LYS A 21 -2.480 2.224 10.644 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.673 -0.327 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.072 -0.610 12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.899 1.105 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.991 1.201 13.854 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.375 1.225 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.733 -0.368 14.617 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.694 -1.202 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.108 -1.481 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.648 -1.206 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.630 -3.554 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.221 -3.039 15.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.697 -3.306 13.455 1.00 0.00 H new ATOM 326 N GLY A 22 -3.363 -2.045 10.293 1.00 0.00 N ATOM 327 CA GLY A 22 -4.395 -3.059 10.405 1.00 0.00 C ATOM 328 C GLY A 22 -5.224 -3.219 9.150 1.00 0.00 C ATOM 329 O GLY A 22 -5.899 -4.234 8.981 1.00 0.00 O ATOM 0 H GLY A 22 -2.504 -2.364 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.929 -4.014 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.053 -2.805 11.236 1.00 0.00 H new ATOM 333 N GLN A 23 -5.190 -2.233 8.266 1.00 0.00 N ATOM 334 CA GLN A 23 -5.981 -2.302 7.048 1.00 0.00 C ATOM 335 C GLN A 23 -5.353 -3.138 5.935 1.00 0.00 C ATOM 336 O GLN A 23 -4.150 -3.393 5.954 1.00 0.00 O ATOM 337 CB GLN A 23 -6.225 -0.911 6.474 1.00 0.00 C ATOM 338 CG GLN A 23 -7.596 -0.730 5.845 1.00 0.00 C ATOM 339 CD GLN A 23 -8.679 -0.460 6.873 1.00 0.00 C ATOM 340 OE1 GLN A 23 -9.299 0.603 6.871 1.00 0.00 O ATOM 341 NE2 GLN A 23 -8.917 -1.424 7.757 1.00 0.00 N ATOM 0 H GLN A 23 -4.631 -1.386 8.367 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.908 -2.783 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.102 -0.175 7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.463 -0.701 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.560 0.097 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.853 -1.625 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.380 -2.291 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.637 -1.297 8.469 1.00 0.00 H new ATOM 350 N ILE A 24 -6.164 -3.606 4.993 1.00 0.00 N ATOM 351 CA ILE A 24 -5.665 -4.448 3.915 1.00 0.00 C ATOM 352 C ILE A 24 -5.590 -3.715 2.577 1.00 0.00 C ATOM 353 O ILE A 24 -6.611 -3.404 1.963 1.00 0.00 O ATOM 354 CB ILE A 24 -6.535 -5.713 3.763 1.00 0.00 C ATOM 355 CG1 ILE A 24 -5.897 -6.683 2.766 1.00 0.00 C ATOM 356 CG2 ILE A 24 -7.950 -5.347 3.338 1.00 0.00 C ATOM 357 CD1 ILE A 24 -5.160 -7.827 3.430 1.00 0.00 C ATOM 0 H ILE A 24 -7.166 -3.417 4.955 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.649 -4.730 4.192 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.595 -6.209 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.673 -7.088 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.203 -6.134 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.546 -6.254 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.400 -4.699 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.919 -4.825 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.732 -8.476 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.362 -7.430 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.855 -8.399 4.045 1.00 0.00 H new ATOM 369 N LEU A 25 -4.364 -3.444 2.136 1.00 0.00 N ATOM 370 CA LEU A 25 -4.130 -2.751 0.874 1.00 0.00 C ATOM 371 C LEU A 25 -3.812 -3.750 -0.240 1.00 0.00 C ATOM 372 O LEU A 25 -3.010 -4.663 -0.046 1.00 0.00 O ATOM 373 CB LEU A 25 -2.968 -1.767 1.032 1.00 0.00 C ATOM 374 CG LEU A 25 -1.716 -2.328 1.714 1.00 0.00 C ATOM 375 CD1 LEU A 25 -0.486 -2.051 0.867 1.00 0.00 C ATOM 376 CD2 LEU A 25 -1.534 -1.727 3.097 1.00 0.00 C ATOM 0 H LEU A 25 -3.513 -3.696 2.639 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.035 -2.206 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.689 -1.400 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.318 -0.908 1.604 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.844 -3.405 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.396 -2.455 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.602 -2.524 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.368 -0.975 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.638 -2.142 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.431 -0.645 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.402 -1.962 3.713 1.00 0.00 H new ATOM 388 N LYS A 26 -4.417 -3.562 -1.414 1.00 0.00 N ATOM 389 CA LYS A 26 -4.188 -4.456 -2.551 1.00 0.00 C ATOM 390 C LYS A 26 -3.068 -3.949 -3.453 1.00 0.00 C ATOM 391 O LYS A 26 -3.163 -2.864 -4.026 1.00 0.00 O ATOM 392 CB LYS A 26 -5.474 -4.607 -3.358 1.00 0.00 C ATOM 393 CG LYS A 26 -5.447 -5.775 -4.329 1.00 0.00 C ATOM 394 CD LYS A 26 -6.292 -6.936 -3.831 1.00 0.00 C ATOM 395 CE LYS A 26 -5.991 -8.219 -4.592 1.00 0.00 C ATOM 396 NZ LYS A 26 -5.514 -9.303 -3.688 1.00 0.00 N ATOM 0 H LYS A 26 -5.068 -2.800 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.884 -5.425 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.311 -4.735 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.655 -3.687 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.814 -5.448 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.419 -6.107 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.107 -7.091 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.348 -6.689 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.889 -8.550 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.235 -8.021 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.986 -10.196 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.485 -9.414 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.737 -9.057 -2.703 1.00 0.00 H new ATOM 410 N ILE A 27 -2.081 -4.810 -3.692 1.00 0.00 N ATOM 411 CA ILE A 27 -0.982 -4.480 -4.593 1.00 0.00 C ATOM 412 C ILE A 27 -1.277 -4.862 -6.045 1.00 0.00 C ATOM 413 O ILE A 27 -1.582 -6.015 -6.354 1.00 0.00 O ATOM 414 CB ILE A 27 0.323 -5.181 -4.169 1.00 0.00 C ATOM 415 CG1 ILE A 27 0.508 -5.123 -2.653 1.00 0.00 C ATOM 416 CG2 ILE A 27 1.516 -4.552 -4.869 1.00 0.00 C ATOM 417 CD1 ILE A 27 1.351 -6.257 -2.119 1.00 0.00 C ATOM 0 H ILE A 27 -2.021 -5.739 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.867 -3.398 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 27 0.255 -6.228 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.973 -4.174 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.470 -5.146 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.429 -5.059 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.397 -4.648 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.579 -3.497 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.446 -6.161 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.875 -7.208 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.340 -6.221 -2.575 1.00 0.00 H new ATOM 429 N LEU A 28 -1.151 -3.875 -6.926 1.00 0.00 N ATOM 430 CA LEU A 28 -1.365 -4.058 -8.360 1.00 0.00 C ATOM 431 C LEU A 28 -0.047 -3.880 -9.108 1.00 0.00 C ATOM 432 O LEU A 28 0.245 -4.593 -10.068 1.00 0.00 O ATOM 433 CB LEU A 28 -2.397 -3.057 -8.876 1.00 0.00 C ATOM 434 CG LEU A 28 -3.795 -3.212 -8.277 1.00 0.00 C ATOM 435 CD1 LEU A 28 -4.635 -1.977 -8.559 1.00 0.00 C ATOM 436 CD2 LEU A 28 -4.476 -4.458 -8.825 1.00 0.00 C ATOM 0 H LEU A 28 -0.897 -2.922 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.741 -5.066 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.039 -2.048 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.468 -3.155 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.696 -3.322 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.627 -2.105 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.156 -1.103 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.725 -1.837 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.470 -4.552 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.563 -4.378 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.884 -5.337 -8.572 1.00 0.00 H new ATOM 448 N ASN A 29 0.756 -2.936 -8.629 1.00 0.00 N ATOM 449 CA ASN A 29 2.058 -2.659 -9.221 1.00 0.00 C ATOM 450 C ASN A 29 3.022 -2.128 -8.171 1.00 0.00 C ATOM 451 O ASN A 29 2.665 -1.263 -7.371 1.00 0.00 O ATOM 452 CB ASN A 29 1.938 -1.652 -10.378 1.00 0.00 C ATOM 453 CG ASN A 29 0.698 -0.786 -10.299 1.00 0.00 C ATOM 454 OD1 ASN A 29 -0.419 -1.285 -10.166 1.00 0.00 O ATOM 455 ND2 ASN A 29 0.895 0.520 -10.389 1.00 0.00 N ATOM 0 H ASN A 29 0.526 -2.348 -7.828 1.00 0.00 H new ATOM 0 HA ASN A 29 2.447 -3.596 -9.618 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.819 -1.011 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.933 -2.195 -11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.101 1.159 -10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.840 0.887 -10.499 1.00 0.00 H new ATOM 529 N ASN A 35 11.108 2.751 -3.459 1.00 0.00 N ATOM 530 CA ASN A 35 10.493 3.225 -2.216 1.00 0.00 C ATOM 531 C ASN A 35 8.979 3.410 -2.280 1.00 0.00 C ATOM 532 O ASN A 35 8.307 3.320 -1.253 1.00 0.00 O ATOM 533 CB ASN A 35 11.151 4.528 -1.759 1.00 0.00 C ATOM 534 CG ASN A 35 11.536 4.503 -0.294 1.00 0.00 C ATOM 535 OD1 ASN A 35 12.540 3.900 0.086 1.00 0.00 O ATOM 536 ND2 ASN A 35 10.736 5.158 0.539 1.00 0.00 N ATOM 0 HA ASN A 35 10.667 2.429 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.040 4.713 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.467 5.358 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.943 5.175 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.914 5.644 0.180 1.00 0.00 H new ATOM 543 N TRP A 36 8.429 3.652 -3.457 1.00 0.00 N ATOM 544 CA TRP A 36 6.984 3.824 -3.570 1.00 0.00 C ATOM 545 C TRP A 36 6.348 2.650 -4.315 1.00 0.00 C ATOM 546 O TRP A 36 6.845 2.229 -5.359 1.00 0.00 O ATOM 547 CB TRP A 36 6.671 5.120 -4.310 1.00 0.00 C ATOM 548 CG TRP A 36 6.990 6.333 -3.492 1.00 0.00 C ATOM 549 CD1 TRP A 36 8.066 7.160 -3.635 1.00 0.00 C ATOM 550 CD2 TRP A 36 6.233 6.846 -2.388 1.00 0.00 C ATOM 551 NE1 TRP A 36 8.024 8.157 -2.692 1.00 0.00 N ATOM 552 CE2 TRP A 36 6.908 7.987 -1.914 1.00 0.00 C ATOM 553 CE3 TRP A 36 5.048 6.453 -1.756 1.00 0.00 C ATOM 554 CZ2 TRP A 36 6.438 8.736 -0.838 1.00 0.00 C ATOM 555 CZ3 TRP A 36 4.584 7.199 -0.689 1.00 0.00 C ATOM 556 CH2 TRP A 36 5.278 8.329 -0.240 1.00 0.00 C ATOM 0 H TRP A 36 8.945 3.733 -4.333 1.00 0.00 H new ATOM 0 HA TRP A 36 6.569 3.864 -2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.240 5.151 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.615 5.135 -4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.838 7.047 -4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.712 8.903 -2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.506 5.583 -2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.971 9.608 -0.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.671 6.905 -0.193 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.889 8.891 0.596 1.00 0.00 H new ATOM 567 N TYR A 37 5.241 2.128 -3.777 1.00 0.00 N ATOM 568 CA TYR A 37 4.515 1.007 -4.376 1.00 0.00 C ATOM 569 C TYR A 37 3.084 1.433 -4.694 1.00 0.00 C ATOM 570 O TYR A 37 2.552 2.338 -4.053 1.00 0.00 O ATOM 571 CB TYR A 37 4.494 -0.188 -3.412 1.00 0.00 C ATOM 572 CG TYR A 37 5.717 -1.085 -3.477 1.00 0.00 C ATOM 573 CD1 TYR A 37 6.805 -0.778 -4.289 1.00 0.00 C ATOM 574 CD2 TYR A 37 5.778 -2.248 -2.718 1.00 0.00 C ATOM 575 CE1 TYR A 37 7.913 -1.602 -4.339 1.00 0.00 C ATOM 576 CE2 TYR A 37 6.883 -3.076 -2.763 1.00 0.00 C ATOM 577 CZ TYR A 37 7.948 -2.749 -3.574 1.00 0.00 C ATOM 578 OH TYR A 37 9.048 -3.573 -3.623 1.00 0.00 O ATOM 0 H TYR A 37 4.824 2.473 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 37 5.020 0.711 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.391 0.187 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.609 -0.789 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.783 0.119 -4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.946 -2.509 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.749 -1.349 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.912 -3.975 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 37 8.912 -4.336 -3.024 1.00 0.00 H new ATOM 588 N ARG A 38 2.464 0.797 -5.687 1.00 0.00 N ATOM 589 CA ARG A 38 1.097 1.150 -6.076 1.00 0.00 C ATOM 590 C ARG A 38 0.067 0.131 -5.580 1.00 0.00 C ATOM 591 O ARG A 38 0.143 -1.052 -5.911 1.00 0.00 O ATOM 592 CB ARG A 38 0.994 1.293 -7.598 1.00 0.00 C ATOM 593 CG ARG A 38 1.024 2.731 -8.089 1.00 0.00 C ATOM 594 CD ARG A 38 -0.352 3.372 -8.048 1.00 0.00 C ATOM 595 NE ARG A 38 -1.129 3.051 -9.238 1.00 0.00 N ATOM 596 CZ ARG A 38 -2.097 3.819 -9.722 1.00 0.00 C ATOM 597 NH1 ARG A 38 -2.423 4.951 -9.110 1.00 0.00 N ATOM 598 NH2 ARG A 38 -2.742 3.448 -10.817 1.00 0.00 N ATOM 0 H ARG A 38 2.880 0.042 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 38 0.870 2.105 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.815 0.745 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.069 0.825 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.713 3.310 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.407 2.758 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.886 3.031 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.248 4.454 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.916 2.183 -9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.929 5.234 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.168 5.538 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.494 2.576 -11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.487 4.034 -11.193 1.00 0.00 H new ATOM 612 N ALA A 39 -0.955 0.617 -4.876 1.00 0.00 N ATOM 613 CA ALA A 39 -2.022 -0.256 -4.394 1.00 0.00 C ATOM 614 C ALA A 39 -3.405 0.366 -4.574 1.00 0.00 C ATOM 615 O ALA A 39 -3.536 1.553 -4.870 1.00 0.00 O ATOM 616 CB ALA A 39 -1.788 -0.596 -2.931 1.00 0.00 C ATOM 0 H ALA A 39 -1.066 1.601 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.997 -1.166 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.587 -1.247 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.830 -1.105 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.779 0.321 -2.341 1.00 0.00 H new ATOM 622 N GLU A 40 -4.432 -0.461 -4.383 1.00 0.00 N ATOM 623 CA GLU A 40 -5.823 -0.030 -4.507 1.00 0.00 C ATOM 624 C GLU A 40 -6.547 -0.177 -3.169 1.00 0.00 C ATOM 625 O GLU A 40 -6.395 -1.191 -2.486 1.00 0.00 O ATOM 626 CB GLU A 40 -6.552 -0.888 -5.543 1.00 0.00 C ATOM 627 CG GLU A 40 -7.930 -0.359 -5.905 1.00 0.00 C ATOM 628 CD GLU A 40 -9.003 -1.430 -5.849 1.00 0.00 C ATOM 629 OE1 GLU A 40 -8.825 -2.481 -6.501 1.00 0.00 O ATOM 630 OE2 GLU A 40 -10.017 -1.218 -5.154 1.00 0.00 O ATOM 0 H GLU A 40 -4.324 -1.445 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.825 1.015 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.945 -0.947 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.650 -1.903 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.194 0.450 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.899 0.066 -6.908 1.00 0.00 H new ATOM 637 N LEU A 41 -7.348 0.822 -2.800 1.00 0.00 N ATOM 638 CA LEU A 41 -8.109 0.788 -1.557 1.00 0.00 C ATOM 639 C LEU A 41 -9.445 1.517 -1.753 1.00 0.00 C ATOM 640 O LEU A 41 -9.505 2.573 -2.382 1.00 0.00 O ATOM 641 CB LEU A 41 -7.275 1.388 -0.408 1.00 0.00 C ATOM 642 CG LEU A 41 -7.933 2.506 0.412 1.00 0.00 C ATOM 643 CD1 LEU A 41 -8.944 1.944 1.400 1.00 0.00 C ATOM 644 CD2 LEU A 41 -6.879 3.307 1.153 1.00 0.00 C ATOM 0 H LEU A 41 -7.485 1.670 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.333 -0.243 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.004 0.581 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.347 1.776 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.460 3.161 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.393 2.761 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.723 1.407 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.442 1.261 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.361 4.096 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.329 2.649 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.189 3.752 0.436 1.00 0.00 H new ATOM 656 N ASP A 42 -10.522 0.850 -1.339 1.00 0.00 N ATOM 657 CA ASP A 42 -11.886 1.350 -1.531 1.00 0.00 C ATOM 658 C ASP A 42 -12.144 1.778 -2.979 1.00 0.00 C ATOM 659 O ASP A 42 -12.936 2.687 -3.232 1.00 0.00 O ATOM 660 CB ASP A 42 -12.196 2.503 -0.571 1.00 0.00 C ATOM 661 CG ASP A 42 -11.431 3.770 -0.897 1.00 0.00 C ATOM 662 OD1 ASP A 42 -10.304 3.928 -0.392 1.00 0.00 O ATOM 663 OD2 ASP A 42 -11.965 4.608 -1.652 1.00 0.00 O ATOM 0 H ASP A 42 -10.475 -0.050 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.558 0.522 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.265 2.714 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.959 2.194 0.447 1.00 0.00 H new ATOM 668 N GLY A 43 -11.488 1.105 -3.923 1.00 0.00 N ATOM 669 CA GLY A 43 -11.680 1.419 -5.332 1.00 0.00 C ATOM 670 C GLY A 43 -10.829 2.578 -5.821 1.00 0.00 C ATOM 671 O GLY A 43 -11.116 3.163 -6.865 1.00 0.00 O ATOM 0 H GLY A 43 -10.828 0.349 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.450 0.535 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.731 1.654 -5.503 1.00 0.00 H new ATOM 675 N LYS A 44 -9.812 2.944 -5.053 1.00 0.00 N ATOM 676 CA LYS A 44 -8.942 4.060 -5.411 1.00 0.00 C ATOM 677 C LYS A 44 -7.499 3.580 -5.531 1.00 0.00 C ATOM 678 O LYS A 44 -7.025 2.814 -4.694 1.00 0.00 O ATOM 679 CB LYS A 44 -9.026 5.140 -4.333 1.00 0.00 C ATOM 680 CG LYS A 44 -8.242 6.400 -4.668 1.00 0.00 C ATOM 681 CD LYS A 44 -8.699 7.029 -5.975 1.00 0.00 C ATOM 682 CE LYS A 44 -7.518 7.580 -6.759 1.00 0.00 C ATOM 683 NZ LYS A 44 -7.630 7.281 -8.212 1.00 0.00 N ATOM 0 H LYS A 44 -9.567 2.484 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.266 4.469 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.072 5.404 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.656 4.732 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.355 7.122 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.181 6.159 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.224 6.286 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.408 7.831 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.457 8.659 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.593 7.153 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.719 7.472 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.882 6.281 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.367 7.882 -8.634 1.00 0.00 H new ATOM 697 N GLU A 45 -6.781 4.081 -6.534 1.00 0.00 N ATOM 698 CA GLU A 45 -5.379 3.718 -6.722 1.00 0.00 C ATOM 699 C GLU A 45 -4.457 4.879 -6.351 1.00 0.00 C ATOM 700 O GLU A 45 -4.823 6.049 -6.440 1.00 0.00 O ATOM 701 CB GLU A 45 -5.121 3.270 -8.166 1.00 0.00 C ATOM 702 CG GLU A 45 -5.552 4.292 -9.208 1.00 0.00 C ATOM 703 CD GLU A 45 -6.404 3.694 -10.313 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.914 2.784 -11.015 1.00 0.00 O ATOM 705 OE2 GLU A 45 -7.559 4.139 -10.477 1.00 0.00 O ATOM 0 H GLU A 45 -7.145 4.736 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.159 2.883 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.058 3.064 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.650 2.334 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.111 5.089 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.666 4.749 -9.648 1.00 0.00 H new ATOM 712 N GLY A 46 -3.295 4.510 -5.812 1.00 0.00 N ATOM 713 CA GLY A 46 -2.337 5.495 -5.339 1.00 0.00 C ATOM 714 C GLY A 46 -1.100 4.845 -4.744 1.00 0.00 C ATOM 715 O GLY A 46 -1.190 3.809 -4.083 1.00 0.00 O ATOM 0 H GLY A 46 -3.000 3.541 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.044 6.142 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.810 6.129 -4.589 1.00 0.00 H new ATOM 719 N LEU A 47 0.019 5.559 -4.827 1.00 0.00 N ATOM 720 CA LEU A 47 1.281 5.119 -4.230 1.00 0.00 C ATOM 721 C LEU A 47 1.239 5.083 -2.694 1.00 0.00 C ATOM 722 O LEU A 47 0.475 5.802 -2.052 1.00 0.00 O ATOM 723 CB LEU A 47 2.420 6.051 -4.670 1.00 0.00 C ATOM 724 CG LEU A 47 3.214 5.644 -5.923 1.00 0.00 C ATOM 725 CD1 LEU A 47 3.308 4.133 -6.062 1.00 0.00 C ATOM 726 CD2 LEU A 47 2.595 6.270 -7.163 1.00 0.00 C ATOM 0 H LEU A 47 0.079 6.456 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 47 1.451 4.101 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.999 7.041 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.121 6.143 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 47 4.232 6.019 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.876 3.885 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.810 3.718 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.306 3.712 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.166 5.975 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.565 5.929 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.610 7.356 -7.069 1.00 0.00 H new ATOM 738 N ILE A 48 2.101 4.233 -2.141 1.00 0.00 N ATOM 739 CA ILE A 48 2.220 4.067 -0.687 1.00 0.00 C ATOM 740 C ILE A 48 3.687 4.009 -0.267 1.00 0.00 C ATOM 741 O ILE A 48 4.500 3.406 -0.969 1.00 0.00 O ATOM 742 CB ILE A 48 1.532 2.764 -0.236 1.00 0.00 C ATOM 743 CG1 ILE A 48 0.126 2.677 -0.822 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.488 2.664 1.279 1.00 0.00 C ATOM 745 CD1 ILE A 48 -0.576 1.380 -0.499 1.00 0.00 C ATOM 0 H ILE A 48 2.734 3.642 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 48 1.738 4.924 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 48 2.118 1.924 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.470 3.508 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.183 2.791 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.997 1.735 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.504 2.676 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.931 3.509 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.570 1.384 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.001 0.545 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.664 1.273 0.582 1.00 0.00 H new ATOM 757 N PRO A 49 4.077 4.612 0.878 1.00 0.00 N ATOM 758 CA PRO A 49 5.470 4.557 1.303 1.00 0.00 C ATOM 759 C PRO A 49 5.817 3.121 1.706 1.00 0.00 C ATOM 760 O PRO A 49 5.237 2.561 2.638 1.00 0.00 O ATOM 761 CB PRO A 49 5.549 5.533 2.467 1.00 0.00 C ATOM 762 CG PRO A 49 4.157 5.578 3.005 1.00 0.00 C ATOM 763 CD PRO A 49 3.237 5.363 1.828 1.00 0.00 C ATOM 0 HA PRO A 49 6.184 4.829 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.257 5.194 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.881 6.518 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.008 4.807 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.957 6.536 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.347 4.801 2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.897 6.308 1.405 1.00 0.00 H new ATOM 771 N SER A 50 6.732 2.526 0.963 1.00 0.00 N ATOM 772 CA SER A 50 7.133 1.136 1.160 1.00 0.00 C ATOM 773 C SER A 50 7.504 0.732 2.593 1.00 0.00 C ATOM 774 O SER A 50 7.321 -0.414 3.002 1.00 0.00 O ATOM 775 CB SER A 50 8.283 0.773 0.217 1.00 0.00 C ATOM 776 OG SER A 50 8.327 -0.624 -0.019 1.00 0.00 O ATOM 0 H SER A 50 7.223 2.992 0.200 1.00 0.00 H new ATOM 0 HA SER A 50 6.231 0.569 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.163 1.301 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.229 1.102 0.648 1.00 0.00 H new ATOM 0 HG SER A 50 9.069 -0.830 -0.625 1.00 0.00 H new ATOM 782 N ASN A 51 7.947 1.725 3.365 1.00 0.00 N ATOM 783 CA ASN A 51 8.310 1.541 4.776 1.00 0.00 C ATOM 784 C ASN A 51 7.086 1.435 5.693 1.00 0.00 C ATOM 785 O ASN A 51 7.186 0.929 6.810 1.00 0.00 O ATOM 786 CB ASN A 51 9.180 2.705 5.258 1.00 0.00 C ATOM 787 CG ASN A 51 10.160 3.188 4.207 1.00 0.00 C ATOM 788 OD1 ASN A 51 9.765 3.604 3.117 1.00 0.00 O ATOM 789 ND2 ASN A 51 11.445 3.138 4.533 1.00 0.00 N ATOM 0 H ASN A 51 8.065 2.682 3.032 1.00 0.00 H new ATOM 0 HA ASN A 51 8.859 0.601 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.537 3.533 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.731 2.396 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.152 3.452 3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.726 2.786 5.448 1.00 0.00 H new ATOM 796 N TYR A 52 5.938 1.925 5.229 1.00 0.00 N ATOM 797 CA TYR A 52 4.712 1.890 6.036 1.00 0.00 C ATOM 798 C TYR A 52 3.846 0.677 5.693 1.00 0.00 C ATOM 799 O TYR A 52 2.710 0.556 6.162 1.00 0.00 O ATOM 800 CB TYR A 52 3.896 3.168 5.817 1.00 0.00 C ATOM 801 CG TYR A 52 4.577 4.449 6.277 1.00 0.00 C ATOM 802 CD1 TYR A 52 5.956 4.527 6.463 1.00 0.00 C ATOM 803 CD2 TYR A 52 3.828 5.594 6.512 1.00 0.00 C ATOM 804 CE1 TYR A 52 6.559 5.704 6.867 1.00 0.00 C ATOM 805 CE2 TYR A 52 4.422 6.773 6.918 1.00 0.00 C ATOM 806 CZ TYR A 52 5.788 6.823 7.093 1.00 0.00 C ATOM 807 OH TYR A 52 6.388 7.996 7.494 1.00 0.00 O ATOM 0 H TYR A 52 5.827 2.348 4.307 1.00 0.00 H new ATOM 0 HA TYR A 52 5.013 1.816 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.665 3.257 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.946 3.070 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.565 3.652 6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.757 5.562 6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.629 5.746 7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.819 7.651 7.097 1.00 0.00 H new ATOM 0 HH TYR A 52 5.706 8.690 7.609 1.00 0.00 H new ATOM 817 N ILE A 53 4.369 -0.202 4.850 1.00 0.00 N ATOM 818 CA ILE A 53 3.634 -1.384 4.423 1.00 0.00 C ATOM 819 C ILE A 53 4.543 -2.608 4.434 1.00 0.00 C ATOM 820 O ILE A 53 5.767 -2.477 4.433 1.00 0.00 O ATOM 821 CB ILE A 53 3.033 -1.162 3.010 1.00 0.00 C ATOM 822 CG1 ILE A 53 2.419 -2.453 2.442 1.00 0.00 C ATOM 823 CG2 ILE A 53 4.071 -0.577 2.057 1.00 0.00 C ATOM 824 CD1 ILE A 53 3.394 -3.375 1.734 1.00 0.00 C ATOM 0 H ILE A 53 5.302 -0.118 4.447 1.00 0.00 H new ATOM 0 HA ILE A 53 2.816 -1.558 5.122 1.00 0.00 H new ATOM 0 HB ILE A 53 2.225 -0.438 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.951 -3.003 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.627 -2.183 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.622 -0.432 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.419 0.382 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.915 -1.262 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.864 -4.255 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.845 -2.850 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.174 -3.683 2.430 1.00 0.00 H new ATOM 836 N GLU A 54 3.947 -3.794 4.457 1.00 0.00 N ATOM 837 CA GLU A 54 4.723 -5.027 4.482 1.00 0.00 C ATOM 838 C GLU A 54 4.013 -6.133 3.717 1.00 0.00 C ATOM 839 O GLU A 54 2.802 -6.085 3.508 1.00 0.00 O ATOM 840 CB GLU A 54 4.976 -5.472 5.924 1.00 0.00 C ATOM 841 CG GLU A 54 3.790 -5.251 6.851 1.00 0.00 C ATOM 842 CD GLU A 54 3.291 -6.535 7.485 1.00 0.00 C ATOM 843 OE1 GLU A 54 2.439 -7.209 6.867 1.00 0.00 O ATOM 844 OE2 GLU A 54 3.750 -6.865 8.597 1.00 0.00 O ATOM 0 H GLU A 54 2.936 -3.928 4.459 1.00 0.00 H new ATOM 0 HA GLU A 54 5.679 -4.830 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.236 -6.531 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.837 -4.931 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.074 -4.550 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.978 -4.789 6.290 1.00 0.00 H new