USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot -106:sc= 1.47 USER MOD Set 1.2: A 63 TYR OH : rot -52:sc= 0.511 USER MOD Single : A 2 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -131:sc= -6.96! (180deg=-16.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -42:sc= -10! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HE2:sc= -0.491 K(o=-0.49,f=-2.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0789) USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= 1.02 (180deg=0.186) USER MOD Single : A 34 GLN : amide:sc= -0.0953 K(o=-0.095,f=-2!) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.111 (180deg=-0.574) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0066 K(o=-0.0066,f=-1.5) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -118:sc= -2.67! USER MOD Single : A 56 GLN : amide:sc= -0.348 K(o=-0.35,f=-3!) USER MOD Single : A 59 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.4!) USER MOD Single : A 64 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.967 -4.219 -4.390 1.00 0.00 N ATOM 12 CA GLN A 2 -7.649 -3.352 -3.445 1.00 0.00 C ATOM 13 C GLN A 2 -6.906 -2.020 -3.315 1.00 0.00 C ATOM 14 O GLN A 2 -5.677 -1.989 -3.315 1.00 0.00 O ATOM 15 CB GLN A 2 -7.797 -4.033 -2.083 1.00 0.00 C ATOM 16 CG GLN A 2 -9.244 -4.467 -1.842 1.00 0.00 C ATOM 17 CD GLN A 2 -9.997 -3.429 -1.008 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.419 -2.658 -0.259 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.316 -3.450 -1.180 1.00 0.00 N ATOM 0 HA GLN A 2 -8.651 -3.151 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.140 -4.901 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.482 -3.349 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.749 -4.607 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.258 -5.429 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.736 -4.122 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.907 -2.794 -0.669 1.00 0.00 H new ATOM 28 N GLU A 3 -7.684 -0.953 -3.206 1.00 0.00 N ATOM 29 CA GLU A 3 -7.116 0.377 -3.076 1.00 0.00 C ATOM 30 C GLU A 3 -7.275 0.884 -1.641 1.00 0.00 C ATOM 31 O GLU A 3 -8.109 0.381 -0.890 1.00 0.00 O ATOM 32 CB GLU A 3 -7.753 1.346 -4.073 1.00 0.00 C ATOM 33 CG GLU A 3 -9.168 1.731 -3.637 1.00 0.00 C ATOM 34 CD GLU A 3 -9.730 2.846 -4.521 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.151 3.953 -4.476 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.727 2.566 -5.221 1.00 0.00 O ATOM 0 H GLU A 3 -8.704 -0.983 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.052 0.320 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.138 2.242 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.785 0.887 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.819 0.858 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.156 2.058 -2.597 1.00 0.00 H new ATOM 43 N PHE A 4 -6.462 1.874 -1.303 1.00 0.00 N ATOM 44 CA PHE A 4 -6.502 2.454 0.029 1.00 0.00 C ATOM 45 C PHE A 4 -6.388 3.979 -0.034 1.00 0.00 C ATOM 46 O PHE A 4 -5.512 4.512 -0.713 1.00 0.00 O ATOM 47 CB PHE A 4 -5.302 1.896 0.796 1.00 0.00 C ATOM 48 CG PHE A 4 -4.886 0.489 0.363 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.795 -0.523 0.377 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.608 0.250 -0.035 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.409 -1.829 -0.025 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.222 -1.056 -0.437 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.130 -2.068 -0.424 1.00 0.00 C ATOM 0 H PHE A 4 -5.772 2.289 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.446 2.206 0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.455 2.570 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.538 1.883 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.810 -0.333 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.886 1.054 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.130 -2.633 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.207 -1.246 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.836 -3.061 -0.730 1.00 0.00 H new ATOM 63 N SER A 5 -7.286 4.637 0.684 1.00 0.00 N ATOM 64 CA SER A 5 -7.298 6.090 0.718 1.00 0.00 C ATOM 65 C SER A 5 -6.201 6.600 1.655 1.00 0.00 C ATOM 66 O SER A 5 -6.059 6.110 2.775 1.00 0.00 O ATOM 67 CB SER A 5 -8.663 6.620 1.162 1.00 0.00 C ATOM 68 OG SER A 5 -8.567 7.911 1.756 1.00 0.00 O ATOM 0 H SER A 5 -8.010 4.191 1.247 1.00 0.00 H new ATOM 0 HA SER A 5 -7.107 6.457 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.331 6.665 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.107 5.925 1.875 1.00 0.00 H new ATOM 0 HG SER A 5 -9.459 8.215 2.024 1.00 0.00 H new ATOM 74 N VAL A 6 -5.453 7.576 1.163 1.00 0.00 N ATOM 75 CA VAL A 6 -4.373 8.157 1.942 1.00 0.00 C ATOM 76 C VAL A 6 -4.931 9.276 2.824 1.00 0.00 C ATOM 77 O VAL A 6 -5.835 10.003 2.414 1.00 0.00 O ATOM 78 CB VAL A 6 -3.253 8.631 1.013 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.312 9.596 1.737 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.482 7.443 0.434 1.00 0.00 C ATOM 0 H VAL A 6 -5.573 7.979 0.234 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.934 7.409 2.603 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.711 9.170 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.525 9.918 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.874 10.465 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.865 9.093 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.692 7.807 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.041 6.865 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.163 6.810 -0.134 1.00 0.00 H new ATOM 90 N LYS A 7 -4.370 9.379 4.020 1.00 0.00 N ATOM 91 CA LYS A 7 -4.800 10.397 4.964 1.00 0.00 C ATOM 92 C LYS A 7 -3.663 10.691 5.944 1.00 0.00 C ATOM 93 O LYS A 7 -2.801 9.844 6.172 1.00 0.00 O ATOM 94 CB LYS A 7 -6.106 9.979 5.644 1.00 0.00 C ATOM 95 CG LYS A 7 -7.313 10.611 4.948 1.00 0.00 C ATOM 96 CD LYS A 7 -8.339 11.103 5.971 1.00 0.00 C ATOM 97 CE LYS A 7 -9.339 12.065 5.326 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.098 12.797 6.364 1.00 0.00 N ATOM 0 H LYS A 7 -3.621 8.774 4.357 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.022 11.329 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.198 8.893 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.087 10.280 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.984 11.445 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.777 9.882 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.870 10.252 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.827 11.603 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.811 12.772 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.027 11.510 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.772 13.445 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.617 12.119 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.439 13.342 6.956 1.00 0.00 H new ATOM 112 N GLY A 8 -3.698 11.894 6.497 1.00 0.00 N ATOM 113 CA GLY A 8 -2.681 12.311 7.448 1.00 0.00 C ATOM 114 C GLY A 8 -1.305 12.384 6.781 1.00 0.00 C ATOM 115 O GLY A 8 -0.296 12.590 7.454 1.00 0.00 O ATOM 0 H GLY A 8 -4.415 12.594 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.941 13.286 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.648 11.610 8.282 1.00 0.00 H new ATOM 119 N MET A 9 -1.309 12.211 5.468 1.00 0.00 N ATOM 120 CA MET A 9 -0.074 12.255 4.704 1.00 0.00 C ATOM 121 C MET A 9 0.468 13.683 4.620 1.00 0.00 C ATOM 122 O MET A 9 -0.283 14.646 4.767 1.00 0.00 O ATOM 123 CB MET A 9 -0.328 11.721 3.292 1.00 0.00 C ATOM 124 CG MET A 9 0.628 10.573 2.960 1.00 0.00 C ATOM 125 SD MET A 9 1.471 10.907 1.423 1.00 0.00 S ATOM 126 CE MET A 9 0.699 9.685 0.375 1.00 0.00 C ATOM 0 H MET A 9 -2.148 12.040 4.913 1.00 0.00 H new ATOM 0 HA MET A 9 0.666 11.635 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.359 11.376 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.202 12.525 2.567 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.354 10.450 3.763 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.074 9.637 2.885 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.467 9.134 -0.168 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.120 8.994 0.988 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.038 10.181 -0.336 1.00 0.00 H new ATOM 136 N SER A 10 1.768 13.775 4.383 1.00 0.00 N ATOM 137 CA SER A 10 2.420 15.070 4.278 1.00 0.00 C ATOM 138 C SER A 10 2.930 15.284 2.851 1.00 0.00 C ATOM 139 O SER A 10 3.010 16.418 2.381 1.00 0.00 O ATOM 140 CB SER A 10 3.573 15.189 5.277 1.00 0.00 C ATOM 141 OG SER A 10 3.124 15.608 6.563 1.00 0.00 O ATOM 0 H SER A 10 2.388 12.974 4.261 1.00 0.00 H new ATOM 0 HA SER A 10 1.688 15.842 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.077 14.227 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.308 15.901 4.900 1.00 0.00 H new ATOM 0 HG SER A 10 3.889 15.670 7.172 1.00 0.00 H new ATOM 147 N CYS A 11 3.261 14.178 2.203 1.00 0.00 N ATOM 148 CA CYS A 11 3.761 14.231 0.839 1.00 0.00 C ATOM 149 C CYS A 11 5.281 14.397 0.891 1.00 0.00 C ATOM 150 O CYS A 11 5.948 14.363 -0.142 1.00 0.00 O ATOM 151 CB CYS A 11 3.091 15.346 0.034 1.00 0.00 C ATOM 152 SG CYS A 11 3.253 15.009 -1.757 1.00 0.00 S ATOM 0 H CYS A 11 3.193 13.239 2.596 1.00 0.00 H new ATOM 0 HA CYS A 11 3.516 13.303 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.038 15.419 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.549 16.305 0.275 1.00 0.00 H new ATOM 0 HG CYS A 11 4.451 14.571 -2.010 1.00 0.00 H new ATOM 158 N ASN A 12 5.784 14.574 2.104 1.00 0.00 N ATOM 159 CA ASN A 12 7.213 14.746 2.304 1.00 0.00 C ATOM 160 C ASN A 12 7.912 13.394 2.149 1.00 0.00 C ATOM 161 O ASN A 12 8.360 12.806 3.132 1.00 0.00 O ATOM 162 CB ASN A 12 7.513 15.275 3.708 1.00 0.00 C ATOM 163 CG ASN A 12 7.881 16.759 3.667 1.00 0.00 C ATOM 164 OD1 ASN A 12 8.972 17.165 4.034 1.00 0.00 O ATOM 165 ND2 ASN A 12 6.914 17.544 3.202 1.00 0.00 N ATOM 0 H ASN A 12 5.227 14.602 2.958 1.00 0.00 H new ATOM 0 HA ASN A 12 7.573 15.461 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.643 15.130 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.332 14.706 4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.062 18.551 3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.024 17.139 2.912 1.00 0.00 H new ATOM 172 N HIS A 13 7.982 12.939 0.906 1.00 0.00 N ATOM 173 CA HIS A 13 8.619 11.667 0.610 1.00 0.00 C ATOM 174 C HIS A 13 7.780 10.526 1.190 1.00 0.00 C ATOM 175 O HIS A 13 8.212 9.374 1.195 1.00 0.00 O ATOM 176 CB HIS A 13 10.065 11.653 1.110 1.00 0.00 C ATOM 177 CG HIS A 13 11.011 10.872 0.230 1.00 0.00 C ATOM 178 ND1 HIS A 13 10.849 9.523 -0.034 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.131 11.264 -0.443 1.00 0.00 C ATOM 180 CE1 HIS A 13 11.833 9.132 -0.830 1.00 0.00 C ATOM 181 NE2 HIS A 13 12.626 10.212 -1.083 1.00 0.00 N ATOM 0 H HIS A 13 7.608 13.428 0.093 1.00 0.00 H new ATOM 0 HA HIS A 13 8.668 11.524 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.422 12.680 1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.087 11.231 2.115 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.099 8.931 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.545 12.262 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.981 8.133 -1.212 1.00 0.00 H new ATOM 189 N CYS A 14 6.597 10.886 1.664 1.00 0.00 N ATOM 190 CA CYS A 14 5.694 9.907 2.245 1.00 0.00 C ATOM 191 C CYS A 14 5.234 8.960 1.135 1.00 0.00 C ATOM 192 O CYS A 14 5.439 7.750 1.222 1.00 0.00 O ATOM 193 CB CYS A 14 4.512 10.576 2.950 1.00 0.00 C ATOM 194 SG CYS A 14 5.012 11.129 4.622 1.00 0.00 S ATOM 0 H CYS A 14 6.242 11.842 1.658 1.00 0.00 H new ATOM 0 HA CYS A 14 6.216 9.338 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.164 11.427 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.679 9.877 3.023 1.00 0.00 H new ATOM 0 HG CYS A 14 4.499 10.334 5.513 1.00 0.00 H new ATOM 200 N VAL A 15 4.621 9.546 0.117 1.00 0.00 N ATOM 201 CA VAL A 15 4.131 8.769 -1.009 1.00 0.00 C ATOM 202 C VAL A 15 5.120 7.643 -1.316 1.00 0.00 C ATOM 203 O VAL A 15 4.731 6.480 -1.416 1.00 0.00 O ATOM 204 CB VAL A 15 3.879 9.686 -2.207 1.00 0.00 C ATOM 205 CG1 VAL A 15 3.981 8.911 -3.522 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.523 10.385 -2.087 1.00 0.00 C ATOM 0 H VAL A 15 4.452 10.550 0.048 1.00 0.00 H new ATOM 0 HA VAL A 15 3.176 8.304 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 15 4.653 10.454 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.798 9.586 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.979 8.482 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.240 8.112 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.369 11.031 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.731 9.638 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.502 10.985 -1.177 1.00 0.00 H new ATOM 216 N ALA A 16 6.380 8.027 -1.455 1.00 0.00 N ATOM 217 CA ALA A 16 7.428 7.064 -1.749 1.00 0.00 C ATOM 218 C ALA A 16 7.596 6.121 -0.556 1.00 0.00 C ATOM 219 O ALA A 16 7.506 4.903 -0.705 1.00 0.00 O ATOM 220 CB ALA A 16 8.721 7.806 -2.092 1.00 0.00 C ATOM 0 H ALA A 16 6.699 8.992 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 16 7.161 6.457 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.507 7.084 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.556 8.441 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.022 8.423 -1.245 1.00 0.00 H new ATOM 226 N ARG A 17 7.837 6.719 0.602 1.00 0.00 N ATOM 227 CA ARG A 17 8.018 5.948 1.820 1.00 0.00 C ATOM 228 C ARG A 17 6.946 4.862 1.924 1.00 0.00 C ATOM 229 O ARG A 17 7.246 3.721 2.274 1.00 0.00 O ATOM 230 CB ARG A 17 7.947 6.846 3.056 1.00 0.00 C ATOM 231 CG ARG A 17 9.234 6.749 3.879 1.00 0.00 C ATOM 232 CD ARG A 17 9.660 8.126 4.394 1.00 0.00 C ATOM 233 NE ARG A 17 9.001 8.408 5.688 1.00 0.00 N ATOM 234 CZ ARG A 17 9.067 9.586 6.323 1.00 0.00 C ATOM 235 NH1 ARG A 17 9.764 10.598 5.788 1.00 0.00 N ATOM 236 NH2 ARG A 17 8.437 9.752 7.495 1.00 0.00 N ATOM 0 H ARG A 17 7.911 7.729 0.722 1.00 0.00 H new ATOM 0 HA ARG A 17 9.005 5.487 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.784 7.879 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.095 6.557 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.082 6.073 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.030 6.323 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.743 8.160 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.395 8.893 3.667 1.00 0.00 H new ATOM 0 HE ARG A 17 8.463 7.659 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.244 10.472 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.814 11.495 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.908 8.982 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.487 10.649 7.978 1.00 0.00 H new ATOM 250 N ILE A 18 5.719 5.254 1.616 1.00 0.00 N ATOM 251 CA ILE A 18 4.601 4.328 1.671 1.00 0.00 C ATOM 252 C ILE A 18 4.780 3.254 0.596 1.00 0.00 C ATOM 253 O ILE A 18 4.944 2.076 0.911 1.00 0.00 O ATOM 254 CB ILE A 18 3.274 5.083 1.570 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.197 6.199 2.614 1.00 0.00 C ATOM 256 CG2 ILE A 18 2.087 4.123 1.668 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.077 7.186 2.280 1.00 0.00 C ATOM 0 H ILE A 18 5.474 6.201 1.327 1.00 0.00 H new ATOM 0 HA ILE A 18 4.578 3.816 2.633 1.00 0.00 H new ATOM 0 HB ILE A 18 3.224 5.556 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.025 5.768 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.150 6.726 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.157 4.686 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.138 3.397 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.119 3.601 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.044 7.969 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.265 7.633 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.122 6.660 2.260 1.00 0.00 H new ATOM 269 N GLU A 19 4.744 3.698 -0.652 1.00 0.00 N ATOM 270 CA GLU A 19 4.900 2.790 -1.775 1.00 0.00 C ATOM 271 C GLU A 19 6.120 1.891 -1.564 1.00 0.00 C ATOM 272 O GLU A 19 6.125 0.736 -1.987 1.00 0.00 O ATOM 273 CB GLU A 19 5.008 3.560 -3.092 1.00 0.00 C ATOM 274 CG GLU A 19 4.578 2.689 -4.274 1.00 0.00 C ATOM 275 CD GLU A 19 5.348 3.065 -5.541 1.00 0.00 C ATOM 276 OE1 GLU A 19 4.864 3.973 -6.251 1.00 0.00 O ATOM 277 OE2 GLU A 19 6.403 2.436 -5.772 1.00 0.00 O ATOM 0 H GLU A 19 4.609 4.676 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 19 4.013 2.159 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.384 4.453 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.035 3.896 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.750 1.639 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.508 2.806 -4.446 1.00 0.00 H new ATOM 284 N GLU A 20 7.124 2.454 -0.909 1.00 0.00 N ATOM 285 CA GLU A 20 8.347 1.717 -0.637 1.00 0.00 C ATOM 286 C GLU A 20 8.070 0.569 0.336 1.00 0.00 C ATOM 287 O GLU A 20 8.279 -0.596 0.003 1.00 0.00 O ATOM 288 CB GLU A 20 9.436 2.644 -0.094 1.00 0.00 C ATOM 289 CG GLU A 20 10.588 1.841 0.514 1.00 0.00 C ATOM 290 CD GLU A 20 10.650 2.033 2.030 1.00 0.00 C ATOM 291 OE1 GLU A 20 9.858 1.356 2.721 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.488 2.852 2.465 1.00 0.00 O ATOM 0 H GLU A 20 7.116 3.412 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 20 8.709 1.294 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.813 3.277 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.012 3.306 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.461 0.783 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.531 2.154 0.065 1.00 0.00 H new ATOM 299 N ALA A 21 7.602 0.939 1.520 1.00 0.00 N ATOM 300 CA ALA A 21 7.294 -0.045 2.543 1.00 0.00 C ATOM 301 C ALA A 21 6.162 -0.949 2.051 1.00 0.00 C ATOM 302 O ALA A 21 6.238 -2.170 2.176 1.00 0.00 O ATOM 303 CB ALA A 21 6.944 0.669 3.850 1.00 0.00 C ATOM 0 H ALA A 21 7.429 1.907 1.793 1.00 0.00 H new ATOM 0 HA ALA A 21 8.159 -0.678 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.713 -0.070 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.791 1.274 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.078 1.312 3.693 1.00 0.00 H new ATOM 309 N VAL A 22 5.137 -0.314 1.501 1.00 0.00 N ATOM 310 CA VAL A 22 3.991 -1.045 0.990 1.00 0.00 C ATOM 311 C VAL A 22 4.468 -2.097 -0.013 1.00 0.00 C ATOM 312 O VAL A 22 3.873 -3.168 -0.125 1.00 0.00 O ATOM 313 CB VAL A 22 2.972 -0.071 0.395 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.884 -0.820 -0.378 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.361 0.816 1.482 1.00 0.00 C ATOM 0 H VAL A 22 5.077 0.699 1.398 1.00 0.00 H new ATOM 0 HA VAL A 22 3.484 -1.572 1.798 1.00 0.00 H new ATOM 0 HB VAL A 22 3.498 0.575 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.173 -0.104 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.339 -1.388 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.364 -1.502 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.640 1.499 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.858 0.192 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.149 1.390 1.969 1.00 0.00 H new ATOM 325 N GLY A 23 5.538 -1.756 -0.716 1.00 0.00 N ATOM 326 CA GLY A 23 6.102 -2.657 -1.706 1.00 0.00 C ATOM 327 C GLY A 23 6.955 -3.739 -1.039 1.00 0.00 C ATOM 328 O GLY A 23 7.230 -4.776 -1.641 1.00 0.00 O ATOM 0 H GLY A 23 6.029 -0.867 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.300 -3.123 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.711 -2.092 -2.412 1.00 0.00 H new ATOM 332 N ARG A 24 7.350 -3.459 0.194 1.00 0.00 N ATOM 333 CA ARG A 24 8.167 -4.394 0.948 1.00 0.00 C ATOM 334 C ARG A 24 7.290 -5.489 1.560 1.00 0.00 C ATOM 335 O ARG A 24 7.801 -6.442 2.147 1.00 0.00 O ATOM 336 CB ARG A 24 8.933 -3.681 2.064 1.00 0.00 C ATOM 337 CG ARG A 24 10.318 -4.301 2.261 1.00 0.00 C ATOM 338 CD ARG A 24 10.512 -4.760 3.708 1.00 0.00 C ATOM 339 NE ARG A 24 11.724 -5.604 3.812 1.00 0.00 N ATOM 340 CZ ARG A 24 12.974 -5.123 3.833 1.00 0.00 C ATOM 341 NH1 ARG A 24 13.186 -3.802 3.756 1.00 0.00 N ATOM 342 NH2 ARG A 24 14.014 -5.964 3.930 1.00 0.00 N ATOM 0 H ARG A 24 7.119 -2.598 0.690 1.00 0.00 H new ATOM 0 HA ARG A 24 8.884 -4.839 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.035 -2.623 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.368 -3.742 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.440 -5.149 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.087 -3.573 2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.604 -3.894 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.638 -5.321 4.041 1.00 0.00 H new ATOM 0 HE ARG A 24 11.599 -6.615 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.395 -3.162 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.138 -3.436 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.853 -6.970 3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.966 -5.598 3.946 1.00 0.00 H new ATOM 356 N ILE A 25 5.986 -5.317 1.402 1.00 0.00 N ATOM 357 CA ILE A 25 5.035 -6.278 1.932 1.00 0.00 C ATOM 358 C ILE A 25 5.213 -7.616 1.212 1.00 0.00 C ATOM 359 O ILE A 25 4.955 -7.719 0.013 1.00 0.00 O ATOM 360 CB ILE A 25 3.611 -5.722 1.853 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.506 -4.379 2.578 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.596 -6.739 2.379 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.071 -4.476 3.997 1.00 0.00 C ATOM 0 H ILE A 25 5.566 -4.526 0.914 1.00 0.00 H new ATOM 0 HA ILE A 25 5.225 -6.457 2.990 1.00 0.00 H new ATOM 0 HB ILE A 25 3.372 -5.541 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.048 -3.616 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.463 -4.064 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.592 -6.319 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.650 -7.649 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.822 -6.974 3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.984 -3.508 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.511 -5.222 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.120 -4.767 3.952 1.00 0.00 H new ATOM 375 N SER A 26 5.654 -8.607 1.972 1.00 0.00 N ATOM 376 CA SER A 26 5.870 -9.934 1.421 1.00 0.00 C ATOM 377 C SER A 26 4.538 -10.535 0.967 1.00 0.00 C ATOM 378 O SER A 26 3.807 -11.113 1.770 1.00 0.00 O ATOM 379 CB SER A 26 6.545 -10.851 2.443 1.00 0.00 C ATOM 380 OG SER A 26 7.118 -12.003 1.830 1.00 0.00 O ATOM 0 H SER A 26 5.868 -8.518 2.965 1.00 0.00 H new ATOM 0 HA SER A 26 6.533 -9.844 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.322 -10.297 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.814 -11.163 3.189 1.00 0.00 H new ATOM 0 HG SER A 26 7.541 -12.562 2.515 1.00 0.00 H new ATOM 386 N GLY A 27 4.264 -10.380 -0.320 1.00 0.00 N ATOM 387 CA GLY A 27 3.033 -10.900 -0.891 1.00 0.00 C ATOM 388 C GLY A 27 2.451 -9.927 -1.918 1.00 0.00 C ATOM 389 O GLY A 27 1.560 -10.288 -2.686 1.00 0.00 O ATOM 0 H GLY A 27 4.873 -9.902 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.226 -11.862 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.306 -11.075 -0.098 1.00 0.00 H new ATOM 393 N VAL A 28 2.979 -8.711 -1.900 1.00 0.00 N ATOM 394 CA VAL A 28 2.522 -7.683 -2.820 1.00 0.00 C ATOM 395 C VAL A 28 3.219 -7.868 -4.170 1.00 0.00 C ATOM 396 O VAL A 28 4.435 -8.044 -4.226 1.00 0.00 O ATOM 397 CB VAL A 28 2.753 -6.298 -2.213 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.680 -5.210 -3.286 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.758 -6.022 -1.084 1.00 0.00 C ATOM 0 H VAL A 28 3.719 -8.415 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 28 1.449 -7.773 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 28 3.756 -6.282 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.848 -4.235 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.444 -5.392 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.696 -5.226 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.944 -5.031 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.742 -6.067 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.879 -6.771 -0.301 1.00 0.00 H new ATOM 409 N LYS A 29 2.417 -7.821 -5.224 1.00 0.00 N ATOM 410 CA LYS A 29 2.941 -7.981 -6.570 1.00 0.00 C ATOM 411 C LYS A 29 3.368 -6.616 -7.112 1.00 0.00 C ATOM 412 O LYS A 29 4.452 -6.479 -7.676 1.00 0.00 O ATOM 413 CB LYS A 29 1.927 -8.706 -7.457 1.00 0.00 C ATOM 414 CG LYS A 29 2.571 -9.902 -8.161 1.00 0.00 C ATOM 415 CD LYS A 29 2.636 -11.116 -7.232 1.00 0.00 C ATOM 416 CE LYS A 29 4.086 -11.479 -6.906 1.00 0.00 C ATOM 417 NZ LYS A 29 4.159 -12.221 -5.627 1.00 0.00 N ATOM 0 H LYS A 29 1.409 -7.674 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 29 3.830 -8.612 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.086 -9.045 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.528 -8.015 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.999 -10.154 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.576 -9.637 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.095 -10.903 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.142 -11.966 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.505 -12.085 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.689 -10.573 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.150 -12.460 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.778 -11.630 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.600 -13.095 -5.700 1.00 0.00 H new ATOM 431 N LYS A 30 2.492 -5.640 -6.923 1.00 0.00 N ATOM 432 CA LYS A 30 2.764 -4.290 -7.386 1.00 0.00 C ATOM 433 C LYS A 30 2.252 -3.287 -6.349 1.00 0.00 C ATOM 434 O LYS A 30 1.358 -3.600 -5.566 1.00 0.00 O ATOM 435 CB LYS A 30 2.185 -4.076 -8.786 1.00 0.00 C ATOM 436 CG LYS A 30 2.556 -5.234 -9.715 1.00 0.00 C ATOM 437 CD LYS A 30 4.035 -5.173 -10.103 1.00 0.00 C ATOM 438 CE LYS A 30 4.198 -4.913 -11.602 1.00 0.00 C ATOM 439 NZ LYS A 30 3.646 -3.587 -11.960 1.00 0.00 N ATOM 0 H LYS A 30 1.593 -5.757 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 30 3.838 -4.130 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.100 -3.987 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.559 -3.139 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.344 -6.183 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.939 -5.197 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.531 -4.384 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.523 -6.111 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.253 -4.960 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.688 -5.691 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.955 -3.330 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.607 -3.624 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.988 -2.875 -11.284 1.00 0.00 H new ATOM 453 N VAL A 31 2.843 -2.101 -6.379 1.00 0.00 N ATOM 454 CA VAL A 31 2.458 -1.050 -5.452 1.00 0.00 C ATOM 455 C VAL A 31 2.571 0.306 -6.150 1.00 0.00 C ATOM 456 O VAL A 31 3.462 0.513 -6.972 1.00 0.00 O ATOM 457 CB VAL A 31 3.303 -1.140 -4.179 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.790 -1.267 -4.516 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.048 0.061 -3.267 1.00 0.00 C ATOM 0 H VAL A 31 3.585 -1.845 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 31 1.419 -1.172 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 31 3.004 -2.039 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.368 -1.329 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.953 -2.168 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.110 -0.395 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.660 -0.027 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.307 0.979 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.995 0.088 -2.986 1.00 0.00 H new ATOM 469 N LYS A 32 1.654 1.196 -5.798 1.00 0.00 N ATOM 470 CA LYS A 32 1.639 2.527 -6.380 1.00 0.00 C ATOM 471 C LYS A 32 1.003 3.505 -5.391 1.00 0.00 C ATOM 472 O LYS A 32 0.343 3.090 -4.440 1.00 0.00 O ATOM 473 CB LYS A 32 0.956 2.505 -7.749 1.00 0.00 C ATOM 474 CG LYS A 32 0.963 3.895 -8.387 1.00 0.00 C ATOM 475 CD LYS A 32 2.393 4.412 -8.562 1.00 0.00 C ATOM 476 CE LYS A 32 2.399 5.899 -8.920 1.00 0.00 C ATOM 477 NZ LYS A 32 3.376 6.630 -8.082 1.00 0.00 N ATOM 0 H LYS A 32 0.916 1.021 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 32 2.656 2.875 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.467 1.798 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.071 2.155 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.465 3.857 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.396 4.587 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.956 4.254 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.896 3.844 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.649 6.024 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.403 6.318 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.835 7.371 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.884 7.066 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.096 5.967 -7.731 1.00 0.00 H new ATOM 491 N VAL A 33 1.224 4.785 -5.649 1.00 0.00 N ATOM 492 CA VAL A 33 0.680 5.826 -4.793 1.00 0.00 C ATOM 493 C VAL A 33 0.553 7.124 -5.593 1.00 0.00 C ATOM 494 O VAL A 33 1.533 7.606 -6.160 1.00 0.00 O ATOM 495 CB VAL A 33 1.545 5.978 -3.540 1.00 0.00 C ATOM 496 CG1 VAL A 33 1.297 7.327 -2.863 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.305 4.823 -2.565 1.00 0.00 C ATOM 0 H VAL A 33 1.772 5.126 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.319 5.556 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 33 2.590 5.945 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.924 7.409 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.541 8.132 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.248 7.402 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.932 4.955 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.257 4.811 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.555 3.879 -3.050 1.00 0.00 H new ATOM 507 N GLN A 34 -0.661 7.653 -5.613 1.00 0.00 N ATOM 508 CA GLN A 34 -0.929 8.886 -6.334 1.00 0.00 C ATOM 509 C GLN A 34 -1.274 10.009 -5.354 1.00 0.00 C ATOM 510 O GLN A 34 -2.245 9.908 -4.605 1.00 0.00 O ATOM 511 CB GLN A 34 -2.047 8.690 -7.360 1.00 0.00 C ATOM 512 CG GLN A 34 -1.655 7.642 -8.403 1.00 0.00 C ATOM 513 CD GLN A 34 -0.871 8.278 -9.553 1.00 0.00 C ATOM 514 OE1 GLN A 34 -0.703 9.484 -9.630 1.00 0.00 O ATOM 515 NE2 GLN A 34 -0.402 7.403 -10.438 1.00 0.00 N ATOM 0 H GLN A 34 -1.471 7.250 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.028 9.169 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.961 8.380 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.262 9.637 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.052 6.865 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.551 7.159 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.579 6.406 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.135 7.729 -11.242 1.00 0.00 H new ATOM 524 N LEU A 35 -0.462 11.055 -5.392 1.00 0.00 N ATOM 525 CA LEU A 35 -0.669 12.196 -4.517 1.00 0.00 C ATOM 526 C LEU A 35 -1.960 12.913 -4.918 1.00 0.00 C ATOM 527 O LEU A 35 -2.785 13.238 -4.065 1.00 0.00 O ATOM 528 CB LEU A 35 0.563 13.103 -4.518 1.00 0.00 C ATOM 529 CG LEU A 35 0.424 14.424 -3.758 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.387 14.187 -2.247 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.528 15.405 -4.158 1.00 0.00 C ATOM 0 H LEU A 35 0.341 11.136 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.793 11.867 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.399 12.548 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.824 13.327 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.527 14.879 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.288 15.142 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.463 13.551 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.310 13.699 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.406 16.336 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.501 14.971 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.464 15.609 -5.227 1.00 0.00 H new ATOM 543 N LYS A 36 -2.096 13.138 -6.217 1.00 0.00 N ATOM 544 CA LYS A 36 -3.272 13.810 -6.742 1.00 0.00 C ATOM 545 C LYS A 36 -4.389 12.785 -6.949 1.00 0.00 C ATOM 546 O LYS A 36 -5.079 12.811 -7.968 1.00 0.00 O ATOM 547 CB LYS A 36 -2.920 14.600 -8.004 1.00 0.00 C ATOM 548 CG LYS A 36 -4.115 15.426 -8.484 1.00 0.00 C ATOM 549 CD LYS A 36 -4.585 14.959 -9.863 1.00 0.00 C ATOM 550 CE LYS A 36 -3.755 15.606 -10.974 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.543 14.803 -11.250 1.00 0.00 N ATOM 0 H LYS A 36 -1.410 12.866 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.642 14.545 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.076 15.259 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.607 13.914 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.933 15.339 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.840 16.480 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.506 13.874 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.637 15.210 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.355 15.693 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.470 16.617 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.148 15.077 -12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.837 14.974 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.792 13.793 -11.266 1.00 0.00 H new ATOM 565 N LYS A 37 -4.533 11.907 -5.968 1.00 0.00 N ATOM 566 CA LYS A 37 -5.555 10.875 -6.030 1.00 0.00 C ATOM 567 C LYS A 37 -6.085 10.603 -4.621 1.00 0.00 C ATOM 568 O LYS A 37 -7.280 10.373 -4.438 1.00 0.00 O ATOM 569 CB LYS A 37 -5.015 9.629 -6.736 1.00 0.00 C ATOM 570 CG LYS A 37 -6.089 8.993 -7.621 1.00 0.00 C ATOM 571 CD LYS A 37 -5.711 7.558 -7.996 1.00 0.00 C ATOM 572 CE LYS A 37 -6.944 6.760 -8.422 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.543 5.539 -9.156 1.00 0.00 N ATOM 0 H LYS A 37 -3.959 11.888 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.401 11.211 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.150 9.896 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.674 8.906 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.045 8.996 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.219 9.587 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.983 7.570 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.233 7.070 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.529 6.488 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.584 7.377 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.392 5.009 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.004 5.805 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.951 4.944 -8.542 1.00 0.00 H new ATOM 587 N GLU A 38 -5.172 10.638 -3.663 1.00 0.00 N ATOM 588 CA GLU A 38 -5.533 10.397 -2.276 1.00 0.00 C ATOM 589 C GLU A 38 -5.881 8.923 -2.066 1.00 0.00 C ATOM 590 O GLU A 38 -6.711 8.591 -1.220 1.00 0.00 O ATOM 591 CB GLU A 38 -6.690 11.301 -1.846 1.00 0.00 C ATOM 592 CG GLU A 38 -6.181 12.501 -1.045 1.00 0.00 C ATOM 593 CD GLU A 38 -7.187 12.906 0.035 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.265 13.406 -0.353 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.855 12.707 1.223 1.00 0.00 O ATOM 0 H GLU A 38 -4.182 10.830 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.674 10.639 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.230 11.650 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.397 10.731 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.225 12.255 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.004 13.342 -1.716 1.00 0.00 H new ATOM 602 N LYS A 39 -5.230 8.076 -2.850 1.00 0.00 N ATOM 603 CA LYS A 39 -5.461 6.644 -2.760 1.00 0.00 C ATOM 604 C LYS A 39 -4.223 5.900 -3.264 1.00 0.00 C ATOM 605 O LYS A 39 -3.571 6.340 -4.209 1.00 0.00 O ATOM 606 CB LYS A 39 -6.748 6.262 -3.494 1.00 0.00 C ATOM 607 CG LYS A 39 -7.243 7.415 -4.369 1.00 0.00 C ATOM 608 CD LYS A 39 -8.527 7.031 -5.108 1.00 0.00 C ATOM 609 CE LYS A 39 -9.764 7.402 -4.287 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.647 8.304 -5.059 1.00 0.00 N ATOM 0 H LYS A 39 -4.543 8.354 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.612 6.347 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.571 5.382 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.518 5.994 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.424 8.294 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.472 7.686 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.561 7.537 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.528 5.960 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.309 6.499 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.460 7.887 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.481 8.546 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.129 9.173 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.952 7.828 -5.932 1.00 0.00 H new ATOM 624 N ALA A 40 -3.935 4.784 -2.609 1.00 0.00 N ATOM 625 CA ALA A 40 -2.787 3.975 -2.978 1.00 0.00 C ATOM 626 C ALA A 40 -3.266 2.725 -3.719 1.00 0.00 C ATOM 627 O ALA A 40 -4.282 2.135 -3.356 1.00 0.00 O ATOM 628 CB ALA A 40 -1.978 3.635 -1.725 1.00 0.00 C ATOM 0 H ALA A 40 -4.478 4.422 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.130 4.526 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.116 3.028 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.636 4.555 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.604 3.079 -1.027 1.00 0.00 H new ATOM 634 N VAL A 41 -2.512 2.359 -4.745 1.00 0.00 N ATOM 635 CA VAL A 41 -2.847 1.190 -5.541 1.00 0.00 C ATOM 636 C VAL A 41 -1.827 0.083 -5.267 1.00 0.00 C ATOM 637 O VAL A 41 -0.626 0.283 -5.440 1.00 0.00 O ATOM 638 CB VAL A 41 -2.932 1.572 -7.020 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.900 0.652 -7.768 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.331 3.039 -7.186 1.00 0.00 C ATOM 0 H VAL A 41 -1.670 2.851 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.828 0.805 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.942 1.444 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.943 0.944 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.554 -0.379 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.894 0.734 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.384 3.284 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.305 3.205 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.589 3.675 -6.704 1.00 0.00 H new ATOM 650 N VAL A 42 -2.344 -1.062 -4.844 1.00 0.00 N ATOM 651 CA VAL A 42 -1.494 -2.201 -4.544 1.00 0.00 C ATOM 652 C VAL A 42 -2.118 -3.467 -5.135 1.00 0.00 C ATOM 653 O VAL A 42 -3.329 -3.664 -5.050 1.00 0.00 O ATOM 654 CB VAL A 42 -1.262 -2.298 -3.035 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.493 -3.572 -2.680 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.538 -1.056 -2.511 1.00 0.00 C ATOM 0 H VAL A 42 -3.341 -1.225 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.513 -2.077 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.236 -2.348 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.341 -3.617 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.063 -4.443 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.474 -3.565 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.385 -1.150 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.428 -0.961 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.140 -0.171 -2.716 1.00 0.00 H new ATOM 666 N LYS A 43 -1.263 -4.292 -5.722 1.00 0.00 N ATOM 667 CA LYS A 43 -1.715 -5.533 -6.327 1.00 0.00 C ATOM 668 C LYS A 43 -1.108 -6.715 -5.569 1.00 0.00 C ATOM 669 O LYS A 43 0.051 -7.065 -5.783 1.00 0.00 O ATOM 670 CB LYS A 43 -1.409 -5.541 -7.826 1.00 0.00 C ATOM 671 CG LYS A 43 -2.346 -6.492 -8.572 1.00 0.00 C ATOM 672 CD LYS A 43 -3.097 -5.761 -9.686 1.00 0.00 C ATOM 673 CE LYS A 43 -4.285 -6.588 -10.181 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.879 -7.455 -11.310 1.00 0.00 N ATOM 0 H LYS A 43 -0.259 -4.125 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.798 -5.624 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.513 -4.533 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.374 -5.843 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.772 -7.316 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.060 -6.928 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.448 -4.796 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.419 -5.560 -10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.674 -7.199 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.091 -5.925 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.697 -8.009 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.529 -6.865 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.125 -8.100 -10.999 1.00 0.00 H new ATOM 688 N PHE A 44 -1.920 -7.298 -4.699 1.00 0.00 N ATOM 689 CA PHE A 44 -1.477 -8.434 -3.908 1.00 0.00 C ATOM 690 C PHE A 44 -2.499 -9.572 -3.964 1.00 0.00 C ATOM 691 O PHE A 44 -3.614 -9.387 -4.449 1.00 0.00 O ATOM 692 CB PHE A 44 -1.349 -7.950 -2.462 1.00 0.00 C ATOM 693 CG PHE A 44 -2.464 -6.999 -2.024 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.573 -5.769 -2.594 1.00 0.00 C ATOM 695 CD2 PHE A 44 -3.347 -7.383 -1.063 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.608 -4.886 -2.187 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.382 -6.500 -0.656 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.490 -5.270 -1.226 1.00 0.00 C ATOM 0 H PHE A 44 -2.881 -7.005 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.531 -8.811 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.342 -8.815 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.389 -7.448 -2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.872 -5.464 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.261 -8.359 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.695 -3.910 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.083 -6.805 0.106 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.276 -4.598 -0.915 1.00 0.00 H new ATOM 708 N ASP A 45 -2.081 -10.724 -3.460 1.00 0.00 N ATOM 709 CA ASP A 45 -2.946 -11.892 -3.446 1.00 0.00 C ATOM 710 C ASP A 45 -3.617 -12.008 -2.077 1.00 0.00 C ATOM 711 O ASP A 45 -2.955 -11.901 -1.046 1.00 0.00 O ATOM 712 CB ASP A 45 -2.145 -13.173 -3.691 1.00 0.00 C ATOM 713 CG ASP A 45 -2.927 -14.472 -3.489 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.791 -14.754 -4.347 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.643 -15.155 -2.481 1.00 0.00 O ATOM 0 H ASP A 45 -1.155 -10.874 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.687 -11.773 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.759 -13.153 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.283 -13.178 -3.024 1.00 0.00 H new ATOM 720 N GLU A 46 -4.924 -12.226 -2.110 1.00 0.00 N ATOM 721 CA GLU A 46 -5.692 -12.358 -0.884 1.00 0.00 C ATOM 722 C GLU A 46 -5.437 -13.724 -0.242 1.00 0.00 C ATOM 723 O GLU A 46 -5.637 -13.896 0.959 1.00 0.00 O ATOM 724 CB GLU A 46 -7.184 -12.146 -1.146 1.00 0.00 C ATOM 725 CG GLU A 46 -7.854 -11.442 0.036 1.00 0.00 C ATOM 726 CD GLU A 46 -9.055 -10.614 -0.427 1.00 0.00 C ATOM 727 OE1 GLU A 46 -10.109 -11.236 -0.680 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.890 -9.379 -0.518 1.00 0.00 O ATOM 0 H GLU A 46 -5.470 -12.314 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.365 -11.585 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.317 -11.552 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.666 -13.108 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.178 -12.182 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.132 -10.795 0.535 1.00 0.00 H new ATOM 735 N ALA A 47 -5.000 -14.660 -1.072 1.00 0.00 N ATOM 736 CA ALA A 47 -4.716 -16.004 -0.601 1.00 0.00 C ATOM 737 C ALA A 47 -3.279 -16.065 -0.081 1.00 0.00 C ATOM 738 O ALA A 47 -2.730 -17.149 0.112 1.00 0.00 O ATOM 739 CB ALA A 47 -4.971 -17.006 -1.729 1.00 0.00 C ATOM 0 H ALA A 47 -4.836 -14.514 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.377 -16.268 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.758 -18.015 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.013 -16.944 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.324 -16.774 -2.575 1.00 0.00 H new ATOM 745 N ASN A 48 -2.710 -14.887 0.131 1.00 0.00 N ATOM 746 CA ASN A 48 -1.347 -14.793 0.625 1.00 0.00 C ATOM 747 C ASN A 48 -1.286 -13.756 1.749 1.00 0.00 C ATOM 748 O ASN A 48 -0.860 -14.065 2.860 1.00 0.00 O ATOM 749 CB ASN A 48 -0.390 -14.346 -0.482 1.00 0.00 C ATOM 750 CG ASN A 48 0.785 -15.317 -0.616 1.00 0.00 C ATOM 751 OD1 ASN A 48 1.936 -14.973 -0.403 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.432 -16.547 -0.980 1.00 0.00 N ATOM 0 H ASN A 48 -3.168 -13.990 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.050 -15.779 0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.926 -14.286 -1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.017 -13.346 -0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.144 -17.268 -1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.550 -16.769 -1.143 1.00 0.00 H new ATOM 759 N VAL A 49 -1.719 -12.548 1.419 1.00 0.00 N ATOM 760 CA VAL A 49 -1.720 -11.464 2.387 1.00 0.00 C ATOM 761 C VAL A 49 -3.057 -10.724 2.317 1.00 0.00 C ATOM 762 O VAL A 49 -3.776 -10.826 1.324 1.00 0.00 O ATOM 763 CB VAL A 49 -0.517 -10.549 2.148 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.678 -9.225 2.899 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.788 -11.246 2.538 1.00 0.00 C ATOM 0 H VAL A 49 -2.071 -12.296 0.496 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.618 -11.856 3.399 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.472 -10.326 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.190 -8.593 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.578 -8.717 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.761 -9.421 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.627 -10.574 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.756 -11.513 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.911 -12.149 1.939 1.00 0.00 H new ATOM 775 N GLN A 50 -3.351 -9.996 3.384 1.00 0.00 N ATOM 776 CA GLN A 50 -4.589 -9.239 3.456 1.00 0.00 C ATOM 777 C GLN A 50 -4.304 -7.741 3.334 1.00 0.00 C ATOM 778 O GLN A 50 -3.302 -7.252 3.852 1.00 0.00 O ATOM 779 CB GLN A 50 -5.347 -9.549 4.748 1.00 0.00 C ATOM 780 CG GLN A 50 -5.392 -11.056 5.010 1.00 0.00 C ATOM 781 CD GLN A 50 -6.572 -11.704 4.284 1.00 0.00 C ATOM 782 OE1 GLN A 50 -7.202 -11.116 3.420 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.836 -12.946 4.681 1.00 0.00 N ATOM 0 H GLN A 50 -2.753 -9.914 4.206 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.223 -9.537 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.866 -9.045 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.362 -9.158 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.460 -11.514 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.474 -11.240 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.269 -13.380 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.605 -13.464 4.257 1.00 0.00 H new ATOM 792 N ALA A 51 -5.204 -7.054 2.645 1.00 0.00 N ATOM 793 CA ALA A 51 -5.061 -5.622 2.448 1.00 0.00 C ATOM 794 C ALA A 51 -4.975 -4.930 3.810 1.00 0.00 C ATOM 795 O ALA A 51 -4.167 -4.023 3.999 1.00 0.00 O ATOM 796 CB ALA A 51 -6.227 -5.104 1.603 1.00 0.00 C ATOM 0 H ALA A 51 -6.034 -7.463 2.217 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.142 -5.399 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.120 -4.029 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.226 -5.605 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.167 -5.308 2.116 1.00 0.00 H new ATOM 802 N THR A 52 -5.820 -5.385 4.723 1.00 0.00 N ATOM 803 CA THR A 52 -5.850 -4.821 6.062 1.00 0.00 C ATOM 804 C THR A 52 -4.432 -4.700 6.621 1.00 0.00 C ATOM 805 O THR A 52 -4.084 -3.688 7.228 1.00 0.00 O ATOM 806 CB THR A 52 -6.770 -5.692 6.921 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.925 -4.882 7.123 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.218 -5.912 8.331 1.00 0.00 C ATOM 0 H THR A 52 -6.489 -6.138 4.562 1.00 0.00 H new ATOM 0 HA THR A 52 -6.251 -3.807 6.056 1.00 0.00 H new ATOM 0 HB THR A 52 -6.917 -6.656 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.576 -5.370 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.908 -6.536 8.899 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.249 -6.407 8.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.103 -4.950 8.831 1.00 0.00 H new ATOM 816 N GLU A 53 -3.650 -5.746 6.397 1.00 0.00 N ATOM 817 CA GLU A 53 -2.277 -5.770 6.871 1.00 0.00 C ATOM 818 C GLU A 53 -1.444 -4.718 6.137 1.00 0.00 C ATOM 819 O GLU A 53 -0.519 -4.142 6.709 1.00 0.00 O ATOM 820 CB GLU A 53 -1.665 -7.163 6.711 1.00 0.00 C ATOM 821 CG GLU A 53 -1.021 -7.633 8.017 1.00 0.00 C ATOM 822 CD GLU A 53 0.471 -7.910 7.824 1.00 0.00 C ATOM 823 OE1 GLU A 53 1.161 -6.988 7.336 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.889 -9.036 8.169 1.00 0.00 O ATOM 0 H GLU A 53 -3.942 -6.584 5.893 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.276 -5.529 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.437 -7.870 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.917 -7.147 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.157 -6.874 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.520 -8.536 8.368 1.00 0.00 H new ATOM 831 N ILE A 54 -1.800 -4.498 4.880 1.00 0.00 N ATOM 832 CA ILE A 54 -1.097 -3.525 4.062 1.00 0.00 C ATOM 833 C ILE A 54 -1.406 -2.116 4.573 1.00 0.00 C ATOM 834 O ILE A 54 -0.528 -1.255 4.599 1.00 0.00 O ATOM 835 CB ILE A 54 -1.430 -3.728 2.582 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.769 -4.998 2.041 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.057 -2.493 1.761 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.356 -5.385 0.682 1.00 0.00 C ATOM 0 H ILE A 54 -2.567 -4.977 4.408 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.019 -3.666 4.145 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.508 -3.861 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.305 -4.841 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.910 -5.815 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.304 -2.664 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.613 -1.630 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.012 -2.303 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.869 -6.290 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.426 -5.565 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.192 -4.575 -0.029 1.00 0.00 H new ATOM 850 N CYS A 55 -2.656 -1.925 4.968 1.00 0.00 N ATOM 851 CA CYS A 55 -3.092 -0.636 5.477 1.00 0.00 C ATOM 852 C CYS A 55 -2.345 -0.359 6.783 1.00 0.00 C ATOM 853 O CYS A 55 -1.881 0.757 7.013 1.00 0.00 O ATOM 854 CB CYS A 55 -4.609 -0.585 5.665 1.00 0.00 C ATOM 855 SG CYS A 55 -5.342 0.634 4.513 1.00 0.00 S ATOM 0 H CYS A 55 -3.381 -2.642 4.946 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.856 0.143 4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.039 -1.571 5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.847 -0.315 6.694 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.930 1.574 5.192 1.00 0.00 H new ATOM 861 N GLN A 56 -2.253 -1.393 7.606 1.00 0.00 N ATOM 862 CA GLN A 56 -1.571 -1.275 8.883 1.00 0.00 C ATOM 863 C GLN A 56 -0.110 -0.874 8.670 1.00 0.00 C ATOM 864 O GLN A 56 0.450 -0.114 9.458 1.00 0.00 O ATOM 865 CB GLN A 56 -1.671 -2.577 9.681 1.00 0.00 C ATOM 866 CG GLN A 56 -2.005 -2.297 11.148 1.00 0.00 C ATOM 867 CD GLN A 56 -0.839 -2.687 12.059 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.112 -3.333 11.652 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.967 -2.261 13.313 1.00 0.00 N ATOM 0 H GLN A 56 -2.640 -2.317 7.413 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.061 -0.493 9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.439 -3.217 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.728 -3.121 9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.234 -1.239 11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.897 -2.854 11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.790 -1.724 13.588 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.243 -2.471 14.000 1.00 0.00 H new ATOM 878 N ALA A 57 0.466 -1.403 7.600 1.00 0.00 N ATOM 879 CA ALA A 57 1.851 -1.110 7.273 1.00 0.00 C ATOM 880 C ALA A 57 2.007 0.394 7.035 1.00 0.00 C ATOM 881 O ALA A 57 3.087 0.948 7.232 1.00 0.00 O ATOM 882 CB ALA A 57 2.276 -1.939 6.060 1.00 0.00 C ATOM 0 H ALA A 57 -0.002 -2.033 6.948 1.00 0.00 H new ATOM 0 HA ALA A 57 2.506 -1.383 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.315 -1.719 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.174 -3.000 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.642 -1.690 5.209 1.00 0.00 H new ATOM 888 N ILE A 58 0.912 1.010 6.615 1.00 0.00 N ATOM 889 CA ILE A 58 0.913 2.439 6.348 1.00 0.00 C ATOM 890 C ILE A 58 0.822 3.201 7.672 1.00 0.00 C ATOM 891 O ILE A 58 1.631 4.088 7.939 1.00 0.00 O ATOM 892 CB ILE A 58 -0.192 2.799 5.353 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.132 2.266 3.957 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.452 4.307 5.345 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.100 1.626 3.314 1.00 0.00 C ATOM 0 H ILE A 58 0.018 0.546 6.453 1.00 0.00 H new ATOM 0 HA ILE A 58 1.847 2.737 5.872 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.114 2.315 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.493 3.080 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.935 1.532 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.242 4.536 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.759 4.628 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.460 4.832 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.842 1.255 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.444 0.797 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.893 2.369 3.228 1.00 0.00 H new ATOM 907 N ASN A 59 -0.171 2.826 8.466 1.00 0.00 N ATOM 908 CA ASN A 59 -0.378 3.463 9.755 1.00 0.00 C ATOM 909 C ASN A 59 0.867 3.267 10.622 1.00 0.00 C ATOM 910 O ASN A 59 1.163 4.093 11.485 1.00 0.00 O ATOM 911 CB ASN A 59 -1.569 2.844 10.490 1.00 0.00 C ATOM 912 CG ASN A 59 -2.849 3.641 10.230 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.850 4.662 9.563 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.935 3.119 10.792 1.00 0.00 N ATOM 0 H ASN A 59 -0.840 2.090 8.241 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.572 4.521 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.706 1.813 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.365 2.816 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.839 3.577 10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.864 2.261 11.338 1.00 0.00 H new ATOM 921 N GLU A 60 1.562 2.170 10.364 1.00 0.00 N ATOM 922 CA GLU A 60 2.768 1.855 11.110 1.00 0.00 C ATOM 923 C GLU A 60 3.850 2.901 10.837 1.00 0.00 C ATOM 924 O GLU A 60 4.883 2.921 11.505 1.00 0.00 O ATOM 925 CB GLU A 60 3.269 0.448 10.775 1.00 0.00 C ATOM 926 CG GLU A 60 3.439 -0.390 12.044 1.00 0.00 C ATOM 927 CD GLU A 60 4.509 -1.467 11.850 1.00 0.00 C ATOM 928 OE1 GLU A 60 4.215 -2.432 11.111 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.595 -1.302 12.445 1.00 0.00 O ATOM 0 H GLU A 60 1.313 1.487 9.648 1.00 0.00 H new ATOM 0 HA GLU A 60 2.529 1.877 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.565 -0.042 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.221 0.513 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.715 0.257 12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.490 -0.858 12.305 1.00 0.00 H new ATOM 936 N LEU A 61 3.577 3.745 9.853 1.00 0.00 N ATOM 937 CA LEU A 61 4.514 4.792 9.483 1.00 0.00 C ATOM 938 C LEU A 61 4.216 6.050 10.302 1.00 0.00 C ATOM 939 O LEU A 61 4.917 6.346 11.269 1.00 0.00 O ATOM 940 CB LEU A 61 4.490 5.023 7.971 1.00 0.00 C ATOM 941 CG LEU A 61 4.621 3.772 7.099 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.858 4.147 5.635 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.710 2.842 7.636 1.00 0.00 C ATOM 0 H LEU A 61 2.720 3.725 9.300 1.00 0.00 H new ATOM 0 HA LEU A 61 5.534 4.491 9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.557 5.524 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.299 5.707 7.715 1.00 0.00 H new ATOM 0 HG LEU A 61 3.680 3.224 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.948 3.240 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.019 4.740 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.776 4.728 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.783 1.961 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.666 3.366 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.459 2.535 8.651 1.00 0.00 H new ATOM 955 N GLY A 62 3.176 6.757 9.884 1.00 0.00 N ATOM 956 CA GLY A 62 2.777 7.976 10.567 1.00 0.00 C ATOM 957 C GLY A 62 1.698 8.719 9.777 1.00 0.00 C ATOM 958 O GLY A 62 1.710 9.946 9.705 1.00 0.00 O ATOM 0 H GLY A 62 2.598 6.509 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.403 7.734 11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.644 8.622 10.701 1.00 0.00 H new ATOM 962 N TYR A 63 0.789 7.942 9.204 1.00 0.00 N ATOM 963 CA TYR A 63 -0.295 8.511 8.422 1.00 0.00 C ATOM 964 C TYR A 63 -1.595 7.734 8.641 1.00 0.00 C ATOM 965 O TYR A 63 -1.710 6.965 9.594 1.00 0.00 O ATOM 966 CB TYR A 63 0.125 8.376 6.957 1.00 0.00 C ATOM 967 CG TYR A 63 1.640 8.374 6.742 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.391 9.471 7.113 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.255 7.275 6.177 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.817 9.469 6.911 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.681 7.273 5.975 1.00 0.00 C ATOM 972 CZ TYR A 63 4.391 8.370 6.352 1.00 0.00 C ATOM 973 OH TYR A 63 5.738 8.368 6.161 1.00 0.00 O ATOM 0 H TYR A 63 0.782 6.924 9.266 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.474 9.546 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.290 7.452 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.311 9.196 6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.909 10.331 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.667 6.417 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.417 10.321 7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.175 6.420 5.534 1.00 0.00 H new ATOM 0 HH TYR A 63 6.001 9.179 5.678 1.00 0.00 H new ATOM 983 N GLN A 64 -2.542 7.963 7.743 1.00 0.00 N ATOM 984 CA GLN A 64 -3.829 7.294 7.826 1.00 0.00 C ATOM 985 C GLN A 64 -4.227 6.737 6.458 1.00 0.00 C ATOM 986 O GLN A 64 -4.546 7.495 5.543 1.00 0.00 O ATOM 987 CB GLN A 64 -4.904 8.239 8.367 1.00 0.00 C ATOM 988 CG GLN A 64 -5.743 7.553 9.447 1.00 0.00 C ATOM 989 CD GLN A 64 -5.657 8.313 10.773 1.00 0.00 C ATOM 990 OE1 GLN A 64 -4.654 8.922 11.105 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.763 8.243 11.509 1.00 0.00 N ATOM 0 H GLN A 64 -2.444 8.602 6.954 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.739 6.461 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.434 9.132 8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.550 8.565 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.782 7.495 9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.396 6.529 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.568 7.715 11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.806 8.717 12.411 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.195 5.416 6.361 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.549 4.748 5.119 1.00 0.00 C ATOM 1002 C ALA A 65 -5.860 3.984 5.312 1.00 0.00 C ATOM 1003 O ALA A 65 -5.932 3.062 6.122 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.400 3.835 4.685 1.00 0.00 C ATOM 0 H ALA A 65 -3.930 4.790 7.121 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.706 5.476 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.665 3.334 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.500 4.430 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.216 3.089 5.458 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.865 4.395 4.552 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.170 3.761 4.629 1.00 0.00 C ATOM 1012 C GLU A 66 -8.321 2.721 3.517 1.00 0.00 C ATOM 1013 O GLU A 66 -7.860 2.934 2.397 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.290 4.801 4.563 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.003 4.926 5.911 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.385 4.272 5.862 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.238 4.801 5.117 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.558 3.257 6.571 1.00 0.00 O ATOM 0 H GLU A 66 -6.801 5.160 3.880 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.249 3.252 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.877 5.768 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.008 4.519 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.402 4.456 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.104 5.978 6.177 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.968 1.619 3.865 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.185 0.545 2.911 1.00 0.00 C ATOM 1027 C VAL A 67 -10.462 0.825 2.117 1.00 0.00 C ATOM 1028 O VAL A 67 -11.471 1.243 2.684 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.216 -0.802 3.636 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.561 -1.937 2.670 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.888 -1.072 4.347 1.00 0.00 C ATOM 0 H VAL A 67 -9.349 1.446 4.795 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.362 0.496 2.198 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.999 -0.757 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.576 -2.883 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.541 -1.755 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.811 -1.983 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.936 -2.035 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.080 -1.087 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.700 -0.286 5.078 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.377 0.585 0.817 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.514 0.806 -0.061 1.00 0.00 C ATOM 1043 C ILE A 68 -11.805 -0.476 -0.845 1.00 0.00 C ATOM 1044 O ILE A 68 -11.690 -0.499 -2.069 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.275 2.029 -0.950 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.030 2.797 -0.501 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.515 2.924 -0.996 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.309 3.598 0.772 1.00 0.00 C ATOM 0 H ILE A 68 -9.538 0.240 0.350 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.406 1.033 0.522 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.091 1.682 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.212 2.099 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.708 3.470 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.318 3.785 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.357 2.359 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.755 3.266 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.408 4.134 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.111 4.312 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.607 2.919 1.571 1.00 0.00 H new