USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 -105:sc= 1.08 USER MOD Set 1.2: A 63 TYR OH : rot -83:sc= 0.31 USER MOD Single : A 1 ALA N :NH3+ 151:sc= -1.85! (180deg=-4.64!) USER MOD Single : A 2 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.2!) 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 -161:sc= -1.74 (180deg=-3.21) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -58:sc= -5.03! USER MOD Single : A 12 ASN : amide:sc= -5.13! C(o=-5.1!,f=-3.5!) USER MOD Single : A 13 HIS : no HE2:sc= -5.47! K(o=-5.5!,f=-4.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -20:sc= -2.78 USER MOD Single : A 56 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.37) USER MOD Single : A 59 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 64 GLN : amide:sc=-0.00972 X(o=-0.0097,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.599 -5.622 -4.807 1.00 0.00 N ATOM 2 CA ALA A 1 -5.731 -5.309 -5.662 1.00 0.00 C ATOM 3 C ALA A 1 -6.768 -4.521 -4.860 1.00 0.00 C ATOM 4 O ALA A 1 -7.951 -4.523 -5.196 1.00 0.00 O ATOM 5 CB ALA A 1 -6.304 -6.603 -6.244 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.156 -6.507 -5.127 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.904 -4.850 -4.855 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.925 -5.734 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.419 -4.685 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.153 -6.369 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.537 -7.110 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.631 -7.253 -5.433 1.00 0.00 H new ATOM 11 N GLN A 2 -6.287 -3.865 -3.814 1.00 0.00 N ATOM 12 CA GLN A 2 -7.157 -3.074 -2.961 1.00 0.00 C ATOM 13 C GLN A 2 -6.558 -1.685 -2.733 1.00 0.00 C ATOM 14 O GLN A 2 -5.417 -1.562 -2.290 1.00 0.00 O ATOM 15 CB GLN A 2 -7.415 -3.785 -1.630 1.00 0.00 C ATOM 16 CG GLN A 2 -8.754 -4.524 -1.654 1.00 0.00 C ATOM 17 CD GLN A 2 -9.906 -3.562 -1.953 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.341 -3.407 -3.082 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.373 -2.927 -0.882 1.00 0.00 N ATOM 0 H GLN A 2 -5.305 -3.865 -3.538 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.117 -2.956 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.609 -4.491 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.412 -3.058 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.726 -5.310 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.922 -5.011 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.963 -3.104 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.142 -2.263 -0.977 1.00 0.00 H new ATOM 28 N GLU A 3 -7.355 -0.673 -3.046 1.00 0.00 N ATOM 29 CA GLU A 3 -6.917 0.702 -2.881 1.00 0.00 C ATOM 30 C GLU A 3 -7.195 1.180 -1.454 1.00 0.00 C ATOM 31 O GLU A 3 -8.181 0.776 -0.841 1.00 0.00 O ATOM 32 CB GLU A 3 -7.589 1.618 -3.906 1.00 0.00 C ATOM 33 CG GLU A 3 -9.061 1.847 -3.555 1.00 0.00 C ATOM 34 CD GLU A 3 -9.782 2.596 -4.677 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.265 3.663 -5.072 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.835 2.084 -5.116 1.00 0.00 O ATOM 0 H GLU A 3 -8.301 -0.778 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.842 0.744 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.067 2.574 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.513 1.176 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.550 0.889 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.133 2.416 -2.628 1.00 0.00 H new ATOM 43 N PHE A 4 -6.306 2.034 -0.967 1.00 0.00 N ATOM 44 CA PHE A 4 -6.443 2.571 0.376 1.00 0.00 C ATOM 45 C PHE A 4 -6.367 4.099 0.366 1.00 0.00 C ATOM 46 O PHE A 4 -5.441 4.674 -0.205 1.00 0.00 O ATOM 47 CB PHE A 4 -5.277 2.020 1.199 1.00 0.00 C ATOM 48 CG PHE A 4 -4.764 0.661 0.718 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.601 -0.410 0.688 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.470 0.525 0.320 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.124 -1.671 0.241 1.00 0.00 C ATOM 52 CE2 PHE A 4 -2.994 -0.736 -0.127 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.831 -1.807 -0.157 1.00 0.00 C ATOM 0 H PHE A 4 -5.489 2.367 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.408 2.285 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.456 2.737 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.590 1.931 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.628 -0.302 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.805 1.376 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.789 -2.522 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.967 -0.844 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.469 -2.766 -0.497 1.00 0.00 H new ATOM 63 N SER A 5 -7.351 4.714 1.005 1.00 0.00 N ATOM 64 CA SER A 5 -7.407 6.164 1.077 1.00 0.00 C ATOM 65 C SER A 5 -6.562 6.663 2.250 1.00 0.00 C ATOM 66 O SER A 5 -6.685 6.161 3.366 1.00 0.00 O ATOM 67 CB SER A 5 -8.850 6.653 1.216 1.00 0.00 C ATOM 68 OG SER A 5 -8.923 7.922 1.860 1.00 0.00 O ATOM 0 H SER A 5 -8.117 4.234 1.478 1.00 0.00 H new ATOM 0 HA SER A 5 -7.003 6.568 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.307 6.721 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.427 5.924 1.785 1.00 0.00 H new ATOM 0 HG SER A 5 -9.860 8.201 1.929 1.00 0.00 H new ATOM 74 N VAL A 6 -5.722 7.644 1.958 1.00 0.00 N ATOM 75 CA VAL A 6 -4.856 8.217 2.975 1.00 0.00 C ATOM 76 C VAL A 6 -5.363 9.612 3.343 1.00 0.00 C ATOM 77 O VAL A 6 -5.712 10.402 2.467 1.00 0.00 O ATOM 78 CB VAL A 6 -3.405 8.217 2.488 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.449 8.613 3.614 1.00 0.00 C ATOM 80 CG2 VAL A 6 -3.025 6.857 1.898 1.00 0.00 C ATOM 0 H VAL A 6 -5.622 8.057 1.031 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.880 7.613 3.882 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.317 8.962 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.425 8.605 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.699 9.613 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.541 7.903 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.989 6.884 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.138 6.086 2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.677 6.632 1.054 1.00 0.00 H new ATOM 90 N LYS A 7 -5.387 9.874 4.642 1.00 0.00 N ATOM 91 CA LYS A 7 -5.846 11.161 5.137 1.00 0.00 C ATOM 92 C LYS A 7 -4.867 11.673 6.196 1.00 0.00 C ATOM 93 O LYS A 7 -5.282 12.145 7.254 1.00 0.00 O ATOM 94 CB LYS A 7 -7.290 11.061 5.632 1.00 0.00 C ATOM 95 CG LYS A 7 -8.255 10.841 4.465 1.00 0.00 C ATOM 96 CD LYS A 7 -9.706 11.045 4.907 1.00 0.00 C ATOM 97 CE LYS A 7 -10.025 12.533 5.069 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.394 12.825 4.589 1.00 0.00 N ATOM 0 H LYS A 7 -5.096 9.217 5.366 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.860 11.896 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.379 10.239 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.560 11.973 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.017 11.532 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.130 9.833 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.379 10.603 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.879 10.527 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.932 12.819 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.303 13.129 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.594 13.839 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.471 12.571 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.081 12.271 5.140 1.00 0.00 H new ATOM 112 N GLY A 8 -3.587 11.562 5.876 1.00 0.00 N ATOM 113 CA GLY A 8 -2.546 12.008 6.786 1.00 0.00 C ATOM 114 C GLY A 8 -1.216 12.190 6.052 1.00 0.00 C ATOM 115 O GLY A 8 -0.151 12.117 6.662 1.00 0.00 O ATOM 0 H GLY A 8 -3.246 11.169 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.842 12.950 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.425 11.282 7.590 1.00 0.00 H new ATOM 119 N MET A 9 -1.322 12.424 4.752 1.00 0.00 N ATOM 120 CA MET A 9 -0.141 12.618 3.928 1.00 0.00 C ATOM 121 C MET A 9 0.465 14.004 4.155 1.00 0.00 C ATOM 122 O MET A 9 -0.244 14.946 4.506 1.00 0.00 O ATOM 123 CB MET A 9 -0.515 12.459 2.453 1.00 0.00 C ATOM 124 CG MET A 9 0.339 11.381 1.784 1.00 0.00 C ATOM 125 SD MET A 9 0.885 11.943 0.180 1.00 0.00 S ATOM 126 CE MET A 9 -0.245 11.039 -0.866 1.00 0.00 C ATOM 0 H MET A 9 -2.207 12.484 4.249 1.00 0.00 H new ATOM 0 HA MET A 9 0.600 11.869 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.570 12.197 2.368 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.379 13.409 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.201 11.148 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.237 10.462 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.152 10.998 -1.880 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.365 10.026 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.213 11.541 -0.875 1.00 0.00 H new ATOM 136 N SER A 10 1.771 14.086 3.944 1.00 0.00 N ATOM 137 CA SER A 10 2.480 15.342 4.121 1.00 0.00 C ATOM 138 C SER A 10 3.116 15.775 2.798 1.00 0.00 C ATOM 139 O SER A 10 3.167 16.964 2.490 1.00 0.00 O ATOM 140 CB SER A 10 3.548 15.223 5.210 1.00 0.00 C ATOM 141 OG SER A 10 3.099 14.444 6.316 1.00 0.00 O ATOM 0 H SER A 10 2.356 13.303 3.652 1.00 0.00 H new ATOM 0 HA SER A 10 1.762 16.099 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.446 14.771 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.825 16.219 5.557 1.00 0.00 H new ATOM 0 HG SER A 10 3.810 14.390 6.988 1.00 0.00 H new ATOM 147 N CYS A 11 3.585 14.785 2.052 1.00 0.00 N ATOM 148 CA CYS A 11 4.215 15.049 0.770 1.00 0.00 C ATOM 149 C CYS A 11 5.706 15.298 1.010 1.00 0.00 C ATOM 150 O CYS A 11 6.247 16.313 0.574 1.00 0.00 O ATOM 151 CB CYS A 11 3.550 16.219 0.043 1.00 0.00 C ATOM 152 SG CYS A 11 3.902 16.122 -1.751 1.00 0.00 S ATOM 0 H CYS A 11 3.541 13.799 2.311 1.00 0.00 H new ATOM 0 HA CYS A 11 4.093 14.185 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.473 16.199 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.918 17.163 0.444 1.00 0.00 H new ATOM 0 HG CYS A 11 5.188 16.143 -1.943 1.00 0.00 H new ATOM 158 N ASN A 12 6.327 14.355 1.702 1.00 0.00 N ATOM 159 CA ASN A 12 7.744 14.459 2.005 1.00 0.00 C ATOM 160 C ASN A 12 8.369 13.063 1.989 1.00 0.00 C ATOM 161 O ASN A 12 8.971 12.637 2.973 1.00 0.00 O ATOM 162 CB ASN A 12 7.967 15.061 3.394 1.00 0.00 C ATOM 163 CG ASN A 12 6.893 16.100 3.721 1.00 0.00 C ATOM 164 OD1 ASN A 12 6.526 16.929 2.904 1.00 0.00 O ATOM 165 ND2 ASN A 12 6.412 16.011 4.958 1.00 0.00 N ATOM 0 H ASN A 12 5.875 13.515 2.062 1.00 0.00 H new ATOM 0 HA ASN A 12 8.203 15.103 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.953 14.270 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.952 15.525 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.692 16.661 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.763 15.293 5.591 1.00 0.00 H new ATOM 172 N HIS A 13 8.205 12.390 0.859 1.00 0.00 N ATOM 173 CA HIS A 13 8.746 11.050 0.702 1.00 0.00 C ATOM 174 C HIS A 13 7.759 10.028 1.268 1.00 0.00 C ATOM 175 O HIS A 13 8.075 8.844 1.369 1.00 0.00 O ATOM 176 CB HIS A 13 10.135 10.947 1.334 1.00 0.00 C ATOM 177 CG HIS A 13 10.172 10.135 2.607 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.191 9.247 2.901 1.00 0.00 N ATOM 179 CD2 HIS A 13 9.305 10.088 3.659 1.00 0.00 C ATOM 180 CE1 HIS A 13 10.938 8.694 4.078 1.00 0.00 C ATOM 181 NE2 HIS A 13 9.769 9.217 4.546 1.00 0.00 N ATOM 0 H HIS A 13 7.706 12.747 0.044 1.00 0.00 H new ATOM 0 HA HIS A 13 8.876 10.829 -0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.820 10.502 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.502 11.951 1.545 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.000 9.051 2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.395 10.662 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.550 7.958 4.579 1.00 0.00 H new ATOM 189 N CYS A 14 6.583 10.523 1.624 1.00 0.00 N ATOM 190 CA CYS A 14 5.547 9.668 2.178 1.00 0.00 C ATOM 191 C CYS A 14 5.099 8.690 1.091 1.00 0.00 C ATOM 192 O CYS A 14 5.210 7.476 1.259 1.00 0.00 O ATOM 193 CB CYS A 14 4.376 10.483 2.731 1.00 0.00 C ATOM 194 SG CYS A 14 4.793 11.134 4.389 1.00 0.00 S ATOM 0 H CYS A 14 6.324 11.506 1.540 1.00 0.00 H new ATOM 0 HA CYS A 14 5.947 9.110 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.145 11.307 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.484 9.859 2.790 1.00 0.00 H new ATOM 0 HG CYS A 14 4.158 10.452 5.295 1.00 0.00 H new ATOM 200 N VAL A 15 4.603 9.254 0.000 1.00 0.00 N ATOM 201 CA VAL A 15 4.137 8.447 -1.115 1.00 0.00 C ATOM 202 C VAL A 15 5.100 7.277 -1.329 1.00 0.00 C ATOM 203 O VAL A 15 4.673 6.128 -1.436 1.00 0.00 O ATOM 204 CB VAL A 15 3.972 9.320 -2.361 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.101 8.485 -3.636 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.640 10.072 -2.330 1.00 0.00 C ATOM 0 H VAL A 15 4.514 10.261 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 15 3.155 8.026 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 15 4.774 10.058 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.980 9.129 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.084 8.016 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.331 7.714 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.547 10.685 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.819 9.356 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.604 10.711 -1.448 1.00 0.00 H new ATOM 216 N ALA A 16 6.382 7.609 -1.385 1.00 0.00 N ATOM 217 CA ALA A 16 7.408 6.601 -1.584 1.00 0.00 C ATOM 218 C ALA A 16 7.436 5.663 -0.375 1.00 0.00 C ATOM 219 O ALA A 16 7.402 4.443 -0.531 1.00 0.00 O ATOM 220 CB ALA A 16 8.756 7.284 -1.822 1.00 0.00 C ATOM 0 H ALA A 16 6.733 8.563 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 16 7.188 5.998 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.526 6.527 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.692 7.916 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.012 7.896 -0.957 1.00 0.00 H new ATOM 226 N ARG A 17 7.499 6.267 0.802 1.00 0.00 N ATOM 227 CA ARG A 17 7.532 5.501 2.036 1.00 0.00 C ATOM 228 C ARG A 17 6.435 4.435 2.028 1.00 0.00 C ATOM 229 O ARG A 17 6.643 3.322 2.508 1.00 0.00 O ATOM 230 CB ARG A 17 7.343 6.409 3.253 1.00 0.00 C ATOM 231 CG ARG A 17 8.540 6.312 4.200 1.00 0.00 C ATOM 232 CD ARG A 17 8.557 4.966 4.927 1.00 0.00 C ATOM 233 NE ARG A 17 9.305 3.969 4.129 1.00 0.00 N ATOM 234 CZ ARG A 17 9.356 2.661 4.418 1.00 0.00 C ATOM 235 NH1 ARG A 17 8.703 2.185 5.486 1.00 0.00 N ATOM 236 NH2 ARG A 17 10.060 1.830 3.637 1.00 0.00 N ATOM 0 H ARG A 17 7.528 7.279 0.927 1.00 0.00 H new ATOM 0 HA ARG A 17 8.509 5.022 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.217 7.441 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.432 6.129 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.465 6.437 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.499 7.122 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.019 5.079 5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.537 4.620 5.093 1.00 0.00 H new ATOM 0 HE ARG A 17 9.813 4.298 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.167 2.818 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.742 1.190 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.557 2.193 2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.099 0.835 3.856 1.00 0.00 H new ATOM 250 N ILE A 18 5.290 4.813 1.478 1.00 0.00 N ATOM 251 CA ILE A 18 4.160 3.903 1.402 1.00 0.00 C ATOM 252 C ILE A 18 4.433 2.846 0.330 1.00 0.00 C ATOM 253 O ILE A 18 4.532 1.659 0.634 1.00 0.00 O ATOM 254 CB ILE A 18 2.860 4.680 1.182 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.694 5.779 2.234 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.657 3.736 1.145 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.488 6.665 1.916 1.00 0.00 C ATOM 0 H ILE A 18 5.121 5.737 1.081 1.00 0.00 H new ATOM 0 HA ILE A 18 4.033 3.374 2.347 1.00 0.00 H new ATOM 0 HB ILE A 18 2.915 5.170 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.569 5.329 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.597 6.388 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.746 4.313 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.780 3.022 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.587 3.199 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.393 7.438 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.627 7.133 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.584 6.057 1.901 1.00 0.00 H new ATOM 269 N GLU A 19 4.547 3.317 -0.904 1.00 0.00 N ATOM 270 CA GLU A 19 4.807 2.427 -2.023 1.00 0.00 C ATOM 271 C GLU A 19 5.974 1.492 -1.698 1.00 0.00 C ATOM 272 O GLU A 19 5.948 0.314 -2.051 1.00 0.00 O ATOM 273 CB GLU A 19 5.080 3.221 -3.302 1.00 0.00 C ATOM 274 CG GLU A 19 5.918 2.402 -4.287 1.00 0.00 C ATOM 275 CD GLU A 19 7.403 2.459 -3.922 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.831 3.535 -3.452 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.076 1.424 -4.120 1.00 0.00 O ATOM 0 H GLU A 19 4.464 4.303 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 19 3.918 1.820 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.136 3.502 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.602 4.146 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.579 1.366 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.773 2.783 -5.298 1.00 0.00 H new ATOM 284 N GLU A 20 6.971 2.053 -1.029 1.00 0.00 N ATOM 285 CA GLU A 20 8.145 1.284 -0.652 1.00 0.00 C ATOM 286 C GLU A 20 7.767 0.195 0.353 1.00 0.00 C ATOM 287 O GLU A 20 8.060 -0.981 0.140 1.00 0.00 O ATOM 288 CB GLU A 20 9.239 2.194 -0.089 1.00 0.00 C ATOM 289 CG GLU A 20 10.624 1.575 -0.290 1.00 0.00 C ATOM 290 CD GLU A 20 11.571 2.563 -0.974 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.482 2.668 -2.216 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.364 3.191 -0.239 1.00 0.00 O ATOM 0 H GLU A 20 6.990 3.031 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 20 8.542 0.803 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.197 3.166 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.064 2.365 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.037 1.278 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.538 0.671 -0.893 1.00 0.00 H new ATOM 299 N ALA A 21 7.120 0.624 1.427 1.00 0.00 N ATOM 300 CA ALA A 21 6.698 -0.300 2.466 1.00 0.00 C ATOM 301 C ALA A 21 5.700 -1.300 1.879 1.00 0.00 C ATOM 302 O ALA A 21 5.867 -2.509 2.027 1.00 0.00 O ATOM 303 CB ALA A 21 6.114 0.486 3.642 1.00 0.00 C ATOM 0 H ALA A 21 6.878 1.600 1.600 1.00 0.00 H new ATOM 0 HA ALA A 21 7.549 -0.867 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.797 -0.207 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.872 1.160 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.256 1.066 3.302 1.00 0.00 H new ATOM 309 N VAL A 22 4.683 -0.757 1.225 1.00 0.00 N ATOM 310 CA VAL A 22 3.658 -1.586 0.615 1.00 0.00 C ATOM 311 C VAL A 22 4.318 -2.596 -0.326 1.00 0.00 C ATOM 312 O VAL A 22 3.861 -3.732 -0.443 1.00 0.00 O ATOM 313 CB VAL A 22 2.621 -0.706 -0.086 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.724 -1.539 -1.003 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.789 0.076 0.932 1.00 0.00 C ATOM 0 H VAL A 22 4.547 0.247 1.105 1.00 0.00 H new ATOM 0 HA VAL A 22 3.122 -2.153 1.377 1.00 0.00 H new ATOM 0 HB VAL A 22 3.156 0.014 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.996 -0.889 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.334 -2.030 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.201 -2.293 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.059 0.694 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.269 -0.621 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.445 0.713 1.525 1.00 0.00 H new ATOM 325 N GLY A 23 5.383 -2.145 -0.974 1.00 0.00 N ATOM 326 CA GLY A 23 6.110 -2.996 -1.901 1.00 0.00 C ATOM 327 C GLY A 23 7.003 -3.986 -1.151 1.00 0.00 C ATOM 328 O GLY A 23 7.486 -4.956 -1.734 1.00 0.00 O ATOM 0 H GLY A 23 5.759 -1.202 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.405 -3.540 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.719 -2.381 -2.564 1.00 0.00 H new ATOM 332 N ARG A 24 7.195 -3.709 0.130 1.00 0.00 N ATOM 333 CA ARG A 24 8.021 -4.563 0.965 1.00 0.00 C ATOM 334 C ARG A 24 7.179 -5.688 1.571 1.00 0.00 C ATOM 335 O ARG A 24 7.720 -6.651 2.112 1.00 0.00 O ATOM 336 CB ARG A 24 8.677 -3.763 2.093 1.00 0.00 C ATOM 337 CG ARG A 24 9.207 -4.692 3.187 1.00 0.00 C ATOM 338 CD ARG A 24 10.328 -4.019 3.982 1.00 0.00 C ATOM 339 NE ARG A 24 11.439 -4.973 4.198 1.00 0.00 N ATOM 340 CZ ARG A 24 11.497 -5.838 5.220 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.510 -5.874 6.125 1.00 0.00 N ATOM 342 NH2 ARG A 24 12.544 -6.667 5.337 1.00 0.00 N ATOM 0 H ARG A 24 6.792 -2.904 0.610 1.00 0.00 H new ATOM 0 HA ARG A 24 8.802 -4.988 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.495 -3.165 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.953 -3.068 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.395 -4.968 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.577 -5.614 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.690 -3.142 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.946 -3.670 4.941 1.00 0.00 H new ATOM 0 HE ARG A 24 12.208 -4.972 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.714 -5.243 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.555 -6.533 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.296 -6.639 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.589 -7.326 6.115 1.00 0.00 H new ATOM 356 N ILE A 25 5.868 -5.529 1.459 1.00 0.00 N ATOM 357 CA ILE A 25 4.946 -6.519 1.989 1.00 0.00 C ATOM 358 C ILE A 25 5.121 -7.833 1.225 1.00 0.00 C ATOM 359 O ILE A 25 4.954 -7.874 0.007 1.00 0.00 O ATOM 360 CB ILE A 25 3.514 -5.982 1.968 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.412 -4.661 2.734 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.529 -7.027 2.495 1.00 0.00 C ATOM 363 CD1 ILE A 25 3.999 -4.796 4.140 1.00 0.00 C ATOM 0 H ILE A 25 5.423 -4.729 1.009 1.00 0.00 H new ATOM 0 HA ILE A 25 5.169 -6.726 3.036 1.00 0.00 H new ATOM 0 HB ILE A 25 3.242 -5.776 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.940 -3.879 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.368 -4.354 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.518 -6.620 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.577 -7.919 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.789 -7.288 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.914 -3.843 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.453 -5.562 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.049 -5.079 4.070 1.00 0.00 H new ATOM 375 N SER A 26 5.456 -8.874 1.972 1.00 0.00 N ATOM 376 CA SER A 26 5.656 -10.186 1.380 1.00 0.00 C ATOM 377 C SER A 26 4.335 -10.712 0.814 1.00 0.00 C ATOM 378 O SER A 26 3.501 -11.232 1.555 1.00 0.00 O ATOM 379 CB SER A 26 6.224 -11.172 2.404 1.00 0.00 C ATOM 380 OG SER A 26 6.079 -12.524 1.980 1.00 0.00 O ATOM 0 H SER A 26 5.594 -8.836 2.982 1.00 0.00 H new ATOM 0 HA SER A 26 6.378 -10.089 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.279 -10.955 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.717 -11.035 3.359 1.00 0.00 H new ATOM 0 HG SER A 26 6.455 -13.122 2.659 1.00 0.00 H new ATOM 386 N GLY A 27 4.185 -10.558 -0.493 1.00 0.00 N ATOM 387 CA GLY A 27 2.980 -11.011 -1.167 1.00 0.00 C ATOM 388 C GLY A 27 2.541 -10.009 -2.237 1.00 0.00 C ATOM 389 O GLY A 27 1.684 -10.315 -3.064 1.00 0.00 O ATOM 0 H GLY A 27 4.878 -10.126 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.159 -11.983 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.180 -11.145 -0.439 1.00 0.00 H new ATOM 393 N VAL A 28 3.149 -8.833 -2.187 1.00 0.00 N ATOM 394 CA VAL A 28 2.832 -7.785 -3.142 1.00 0.00 C ATOM 395 C VAL A 28 3.779 -7.889 -4.339 1.00 0.00 C ATOM 396 O VAL A 28 4.987 -8.048 -4.169 1.00 0.00 O ATOM 397 CB VAL A 28 2.884 -6.419 -2.455 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.925 -5.289 -3.486 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.707 -6.242 -1.494 1.00 0.00 C ATOM 0 H VAL A 28 3.860 -8.583 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 28 1.817 -7.906 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 28 3.803 -6.373 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.962 -4.329 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.811 -5.400 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.032 -5.333 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.769 -5.263 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.771 -6.319 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.741 -7.018 -0.730 1.00 0.00 H new ATOM 409 N LYS A 29 3.194 -7.795 -5.525 1.00 0.00 N ATOM 410 CA LYS A 29 3.970 -7.877 -6.750 1.00 0.00 C ATOM 411 C LYS A 29 4.230 -6.465 -7.279 1.00 0.00 C ATOM 412 O LYS A 29 5.360 -6.127 -7.627 1.00 0.00 O ATOM 413 CB LYS A 29 3.281 -8.795 -7.761 1.00 0.00 C ATOM 414 CG LYS A 29 4.270 -9.802 -8.351 1.00 0.00 C ATOM 415 CD LYS A 29 4.107 -9.906 -9.869 1.00 0.00 C ATOM 416 CE LYS A 29 5.100 -10.909 -10.460 1.00 0.00 C ATOM 417 NZ LYS A 29 5.011 -10.917 -11.937 1.00 0.00 N ATOM 0 H LYS A 29 2.192 -7.663 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 29 4.942 -8.329 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.462 -9.326 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.844 -8.198 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.289 -9.499 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.113 -10.780 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.089 -10.213 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.260 -8.927 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.113 -10.651 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.893 -11.906 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.691 -11.603 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.048 -11.185 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.231 -9.969 -12.303 1.00 0.00 H new ATOM 431 N LYS A 30 3.164 -5.679 -7.323 1.00 0.00 N ATOM 432 CA LYS A 30 3.263 -4.311 -7.804 1.00 0.00 C ATOM 433 C LYS A 30 2.572 -3.375 -6.810 1.00 0.00 C ATOM 434 O LYS A 30 1.703 -3.801 -6.052 1.00 0.00 O ATOM 435 CB LYS A 30 2.719 -4.204 -9.230 1.00 0.00 C ATOM 436 CG LYS A 30 3.383 -5.231 -10.149 1.00 0.00 C ATOM 437 CD LYS A 30 4.408 -4.563 -11.067 1.00 0.00 C ATOM 438 CE LYS A 30 3.884 -4.474 -12.502 1.00 0.00 C ATOM 439 NZ LYS A 30 4.959 -4.036 -13.420 1.00 0.00 N ATOM 0 H LYS A 30 2.228 -5.963 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 30 4.307 -4.001 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.640 -4.360 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.894 -3.199 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.872 -5.998 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.624 -5.732 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.636 -3.563 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.339 -5.129 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.502 -5.445 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.050 -3.773 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.587 -3.981 -14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.305 -3.100 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.742 -4.719 -13.388 1.00 0.00 H new ATOM 453 N VAL A 31 2.985 -2.116 -6.847 1.00 0.00 N ATOM 454 CA VAL A 31 2.417 -1.116 -5.959 1.00 0.00 C ATOM 455 C VAL A 31 2.582 0.269 -6.587 1.00 0.00 C ATOM 456 O VAL A 31 3.521 0.503 -7.346 1.00 0.00 O ATOM 457 CB VAL A 31 3.055 -1.224 -4.573 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.581 -1.148 -4.664 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.508 -0.149 -3.632 1.00 0.00 C ATOM 0 H VAL A 31 3.706 -1.766 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 31 1.349 -1.287 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 31 2.792 -2.197 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.009 -1.227 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.950 -1.966 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.872 -0.197 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.978 -0.248 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.726 0.838 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.429 -0.269 -3.530 1.00 0.00 H new ATOM 469 N LYS A 32 1.654 1.152 -6.246 1.00 0.00 N ATOM 470 CA LYS A 32 1.685 2.508 -6.767 1.00 0.00 C ATOM 471 C LYS A 32 0.936 3.435 -5.808 1.00 0.00 C ATOM 472 O LYS A 32 0.226 2.971 -4.918 1.00 0.00 O ATOM 473 CB LYS A 32 1.150 2.544 -8.200 1.00 0.00 C ATOM 474 CG LYS A 32 1.715 3.742 -8.966 1.00 0.00 C ATOM 475 CD LYS A 32 1.524 3.568 -10.474 1.00 0.00 C ATOM 476 CE LYS A 32 2.854 3.712 -11.216 1.00 0.00 C ATOM 477 NZ LYS A 32 2.962 2.697 -12.288 1.00 0.00 N ATOM 0 H LYS A 32 0.877 0.955 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 32 2.711 2.870 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.416 1.621 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.061 2.598 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.220 4.655 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.775 3.855 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.094 2.588 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.816 4.310 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.932 4.711 -11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.682 3.600 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.871 2.809 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.909 1.745 -11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.183 2.823 -12.965 1.00 0.00 H new ATOM 491 N VAL A 33 1.121 4.730 -6.021 1.00 0.00 N ATOM 492 CA VAL A 33 0.472 5.726 -5.187 1.00 0.00 C ATOM 493 C VAL A 33 0.295 7.019 -5.987 1.00 0.00 C ATOM 494 O VAL A 33 1.170 7.396 -6.765 1.00 0.00 O ATOM 495 CB VAL A 33 1.268 5.927 -3.896 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.685 7.072 -3.065 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.326 4.633 -3.081 1.00 0.00 C ATOM 0 H VAL A 33 1.712 5.112 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.521 5.388 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 33 2.288 6.197 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.269 7.194 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.719 7.995 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.349 6.844 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.897 4.803 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.314 4.320 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.808 3.853 -3.671 1.00 0.00 H new ATOM 507 N GLN A 34 -0.843 7.661 -5.768 1.00 0.00 N ATOM 508 CA GLN A 34 -1.145 8.904 -6.458 1.00 0.00 C ATOM 509 C GLN A 34 -1.341 10.038 -5.450 1.00 0.00 C ATOM 510 O GLN A 34 -2.220 9.966 -4.593 1.00 0.00 O ATOM 511 CB GLN A 34 -2.376 8.747 -7.353 1.00 0.00 C ATOM 512 CG GLN A 34 -2.132 7.702 -8.444 1.00 0.00 C ATOM 513 CD GLN A 34 -1.991 8.365 -9.816 1.00 0.00 C ATOM 514 OE1 GLN A 34 -1.500 9.473 -9.951 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.447 7.625 -10.823 1.00 0.00 N ATOM 0 H GLN A 34 -1.567 7.344 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.300 9.157 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.234 8.453 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.622 9.705 -7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.229 7.136 -8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.958 6.991 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.846 6.705 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.397 7.978 -11.779 1.00 0.00 H new ATOM 524 N LEU A 35 -0.506 11.058 -5.586 1.00 0.00 N ATOM 525 CA LEU A 35 -0.576 12.205 -4.698 1.00 0.00 C ATOM 526 C LEU A 35 -1.885 12.957 -4.945 1.00 0.00 C ATOM 527 O LEU A 35 -2.587 13.315 -4.001 1.00 0.00 O ATOM 528 CB LEU A 35 0.672 13.077 -4.850 1.00 0.00 C ATOM 529 CG LEU A 35 0.832 14.203 -3.826 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.607 13.686 -2.404 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.190 14.893 -3.978 1.00 0.00 C ATOM 0 H LEU A 35 0.222 11.113 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.586 11.881 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.550 12.433 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.664 13.518 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 35 0.066 14.954 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.726 14.506 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.400 13.278 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.334 12.905 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.278 15.689 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.987 14.165 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.273 15.317 -4.979 1.00 0.00 H new ATOM 543 N LYS A 36 -2.175 13.174 -6.220 1.00 0.00 N ATOM 544 CA LYS A 36 -3.387 13.877 -6.603 1.00 0.00 C ATOM 545 C LYS A 36 -4.549 12.883 -6.668 1.00 0.00 C ATOM 546 O LYS A 36 -5.365 12.935 -7.586 1.00 0.00 O ATOM 547 CB LYS A 36 -3.169 14.652 -7.904 1.00 0.00 C ATOM 548 CG LYS A 36 -2.860 13.703 -9.063 1.00 0.00 C ATOM 549 CD LYS A 36 -1.619 14.162 -9.831 1.00 0.00 C ATOM 550 CE LYS A 36 -1.170 13.097 -10.834 1.00 0.00 C ATOM 551 NZ LYS A 36 0.305 13.085 -10.952 1.00 0.00 N ATOM 0 H LYS A 36 -1.591 12.875 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.646 14.624 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.059 15.237 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.347 15.357 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.703 12.695 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.714 13.658 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.835 15.093 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.810 14.371 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.523 12.116 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.617 13.295 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.593 12.357 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.635 14.016 -11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.726 12.874 -10.025 1.00 0.00 H new ATOM 565 N LYS A 37 -4.586 12.000 -5.680 1.00 0.00 N ATOM 566 CA LYS A 37 -5.634 10.996 -5.613 1.00 0.00 C ATOM 567 C LYS A 37 -5.976 10.719 -4.148 1.00 0.00 C ATOM 568 O LYS A 37 -7.143 10.537 -3.803 1.00 0.00 O ATOM 569 CB LYS A 37 -5.229 9.746 -6.396 1.00 0.00 C ATOM 570 CG LYS A 37 -6.426 9.157 -7.146 1.00 0.00 C ATOM 571 CD LYS A 37 -6.466 7.634 -7.004 1.00 0.00 C ATOM 572 CE LYS A 37 -5.678 6.958 -8.128 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.599 6.410 -9.149 1.00 0.00 N ATOM 0 H LYS A 37 -3.907 11.959 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.543 11.362 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.439 9.996 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.821 9.001 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.350 9.586 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.367 9.426 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.051 7.344 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.500 7.290 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.001 7.677 -8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.062 6.158 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.048 5.955 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.228 5.709 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.169 7.181 -9.552 1.00 0.00 H new ATOM 587 N GLU A 38 -4.938 10.696 -3.325 1.00 0.00 N ATOM 588 CA GLU A 38 -5.114 10.445 -1.904 1.00 0.00 C ATOM 589 C GLU A 38 -5.505 8.985 -1.668 1.00 0.00 C ATOM 590 O GLU A 38 -6.209 8.674 -0.708 1.00 0.00 O ATOM 591 CB GLU A 38 -6.153 11.394 -1.304 1.00 0.00 C ATOM 592 CG GLU A 38 -5.477 12.575 -0.605 1.00 0.00 C ATOM 593 CD GLU A 38 -6.372 13.145 0.498 1.00 0.00 C ATOM 594 OE1 GLU A 38 -6.474 12.476 1.549 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.935 14.237 0.264 1.00 0.00 O ATOM 0 H GLU A 38 -3.972 10.847 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.165 10.633 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.813 11.761 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.776 10.853 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.527 12.254 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.252 13.353 -1.334 1.00 0.00 H new ATOM 602 N LYS A 39 -5.032 8.127 -2.561 1.00 0.00 N ATOM 603 CA LYS A 39 -5.323 6.707 -2.462 1.00 0.00 C ATOM 604 C LYS A 39 -4.200 5.913 -3.131 1.00 0.00 C ATOM 605 O LYS A 39 -3.725 6.285 -4.203 1.00 0.00 O ATOM 606 CB LYS A 39 -6.712 6.404 -3.027 1.00 0.00 C ATOM 607 CG LYS A 39 -7.436 7.693 -3.422 1.00 0.00 C ATOM 608 CD LYS A 39 -8.763 7.385 -4.119 1.00 0.00 C ATOM 609 CE LYS A 39 -9.820 6.931 -3.111 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.912 7.926 -3.022 1.00 0.00 N ATOM 0 H LYS A 39 -4.449 8.388 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.355 6.396 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.621 5.753 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.301 5.865 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.619 8.298 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.802 8.282 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.115 8.272 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.612 6.608 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.225 5.964 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.362 6.796 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.621 7.603 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.524 8.841 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.359 8.035 -3.955 1.00 0.00 H new ATOM 624 N ALA A 40 -3.807 4.833 -2.470 1.00 0.00 N ATOM 625 CA ALA A 40 -2.749 3.983 -2.988 1.00 0.00 C ATOM 626 C ALA A 40 -3.360 2.696 -3.544 1.00 0.00 C ATOM 627 O ALA A 40 -4.420 2.263 -3.095 1.00 0.00 O ATOM 628 CB ALA A 40 -1.725 3.712 -1.883 1.00 0.00 C ATOM 0 H ALA A 40 -4.203 4.528 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.225 4.478 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.931 3.074 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.299 4.656 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.215 3.213 -1.047 1.00 0.00 H new ATOM 634 N VAL A 41 -2.666 2.119 -4.514 1.00 0.00 N ATOM 635 CA VAL A 41 -3.127 0.890 -5.137 1.00 0.00 C ATOM 636 C VAL A 41 -2.061 -0.194 -4.967 1.00 0.00 C ATOM 637 O VAL A 41 -0.867 0.102 -4.952 1.00 0.00 O ATOM 638 CB VAL A 41 -3.489 1.149 -6.601 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.860 -0.154 -7.312 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.618 2.176 -6.713 1.00 0.00 C ATOM 0 H VAL A 41 -1.787 2.480 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.034 0.532 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.610 1.562 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.113 0.058 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.014 -0.841 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.717 -0.608 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.856 2.342 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.502 1.803 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.302 3.115 -6.260 1.00 0.00 H new ATOM 650 N VAL A 42 -2.530 -1.427 -4.844 1.00 0.00 N ATOM 651 CA VAL A 42 -1.632 -2.556 -4.676 1.00 0.00 C ATOM 652 C VAL A 42 -2.060 -3.687 -5.614 1.00 0.00 C ATOM 653 O VAL A 42 -3.234 -3.795 -5.967 1.00 0.00 O ATOM 654 CB VAL A 42 -1.594 -2.981 -3.207 1.00 0.00 C ATOM 655 CG1 VAL A 42 -2.946 -3.543 -2.763 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.472 -3.990 -2.957 1.00 0.00 C ATOM 0 H VAL A 42 -3.521 -1.669 -4.857 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.614 -2.277 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.387 -2.095 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.891 -3.837 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.715 -2.780 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.196 -4.412 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.467 -4.276 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.635 -4.875 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.486 -3.540 -3.215 1.00 0.00 H new ATOM 666 N LYS A 43 -1.085 -4.501 -5.992 1.00 0.00 N ATOM 667 CA LYS A 43 -1.347 -5.619 -6.882 1.00 0.00 C ATOM 668 C LYS A 43 -0.758 -6.895 -6.277 1.00 0.00 C ATOM 669 O LYS A 43 0.174 -7.476 -6.832 1.00 0.00 O ATOM 670 CB LYS A 43 -0.836 -5.313 -8.291 1.00 0.00 C ATOM 671 CG LYS A 43 -1.545 -6.181 -9.332 1.00 0.00 C ATOM 672 CD LYS A 43 -1.166 -5.755 -10.752 1.00 0.00 C ATOM 673 CE LYS A 43 -2.354 -5.904 -11.704 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.148 -5.086 -12.921 1.00 0.00 N ATOM 0 H LYS A 43 -0.113 -4.408 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.420 -5.781 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.998 -4.260 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.239 -5.488 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.280 -7.227 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.624 -6.103 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.827 -4.719 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.332 -6.361 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.478 -6.951 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.271 -5.595 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.963 -5.198 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.052 -4.085 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.284 -5.399 -13.408 1.00 0.00 H new ATOM 688 N PHE A 44 -1.325 -7.294 -5.148 1.00 0.00 N ATOM 689 CA PHE A 44 -0.868 -8.490 -4.463 1.00 0.00 C ATOM 690 C PHE A 44 -1.958 -9.564 -4.446 1.00 0.00 C ATOM 691 O PHE A 44 -3.029 -9.374 -5.019 1.00 0.00 O ATOM 692 CB PHE A 44 -0.545 -8.085 -3.023 1.00 0.00 C ATOM 693 CG PHE A 44 -1.759 -8.081 -2.091 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.005 -7.885 -2.599 1.00 0.00 C ATOM 695 CD2 PHE A 44 -1.591 -8.272 -0.755 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.132 -7.881 -1.734 1.00 0.00 C ATOM 697 CE2 PHE A 44 -2.718 -8.268 0.109 1.00 0.00 C ATOM 698 CZ PHE A 44 -3.964 -8.073 -0.398 1.00 0.00 C ATOM 0 H PHE A 44 -2.097 -6.809 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 44 0.002 -8.902 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.205 -8.768 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.100 -7.090 -3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.138 -7.732 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.601 -8.427 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.122 -7.726 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.585 -8.420 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.820 -8.071 0.260 1.00 0.00 H new ATOM 708 N ASP A 45 -1.647 -10.668 -3.782 1.00 0.00 N ATOM 709 CA ASP A 45 -2.587 -11.771 -3.684 1.00 0.00 C ATOM 710 C ASP A 45 -3.318 -11.694 -2.342 1.00 0.00 C ATOM 711 O ASP A 45 -2.687 -11.570 -1.293 1.00 0.00 O ATOM 712 CB ASP A 45 -1.864 -13.118 -3.751 1.00 0.00 C ATOM 713 CG ASP A 45 -2.750 -14.340 -3.502 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.862 -14.361 -4.071 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.294 -15.227 -2.747 1.00 0.00 O ATOM 0 H ASP A 45 -0.758 -10.822 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.285 -11.694 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.402 -13.217 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.057 -13.117 -3.018 1.00 0.00 H new ATOM 720 N GLU A 46 -4.639 -11.770 -2.419 1.00 0.00 N ATOM 721 CA GLU A 46 -5.462 -11.710 -1.223 1.00 0.00 C ATOM 722 C GLU A 46 -5.429 -13.051 -0.488 1.00 0.00 C ATOM 723 O GLU A 46 -5.720 -13.117 0.705 1.00 0.00 O ATOM 724 CB GLU A 46 -6.898 -11.309 -1.567 1.00 0.00 C ATOM 725 CG GLU A 46 -7.556 -10.573 -0.398 1.00 0.00 C ATOM 726 CD GLU A 46 -8.294 -9.323 -0.882 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.775 -9.359 -2.036 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.361 -8.360 -0.088 1.00 0.00 O ATOM 0 H GLU A 46 -5.159 -11.873 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.054 -10.946 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.900 -10.671 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.478 -12.198 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.255 -11.239 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.797 -10.292 0.332 1.00 0.00 H new ATOM 735 N ALA A 47 -5.072 -14.089 -1.231 1.00 0.00 N ATOM 736 CA ALA A 47 -4.997 -15.424 -0.664 1.00 0.00 C ATOM 737 C ALA A 47 -3.627 -15.620 -0.011 1.00 0.00 C ATOM 738 O ALA A 47 -3.282 -16.729 0.394 1.00 0.00 O ATOM 739 CB ALA A 47 -5.275 -16.459 -1.757 1.00 0.00 C ATOM 0 H ALA A 47 -4.832 -14.032 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.753 -15.555 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.219 -17.461 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.271 -16.295 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.534 -16.359 -2.550 1.00 0.00 H new ATOM 745 N ASN A 48 -2.884 -14.526 0.071 1.00 0.00 N ATOM 746 CA ASN A 48 -1.560 -14.564 0.668 1.00 0.00 C ATOM 747 C ASN A 48 -1.461 -13.485 1.748 1.00 0.00 C ATOM 748 O ASN A 48 -0.989 -13.749 2.852 1.00 0.00 O ATOM 749 CB ASN A 48 -0.477 -14.288 -0.377 1.00 0.00 C ATOM 750 CG ASN A 48 0.576 -15.398 -0.382 1.00 0.00 C ATOM 751 OD1 ASN A 48 1.747 -15.180 -0.117 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.096 -16.597 -0.698 1.00 0.00 N ATOM 0 H ASN A 48 -3.174 -13.608 -0.266 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.409 -15.557 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.931 -14.209 -1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.000 -13.330 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.719 -17.404 -0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.896 -16.710 -0.909 1.00 0.00 H new ATOM 759 N VAL A 49 -1.915 -12.292 1.391 1.00 0.00 N ATOM 760 CA VAL A 49 -1.884 -11.173 2.316 1.00 0.00 C ATOM 761 C VAL A 49 -3.219 -10.428 2.254 1.00 0.00 C ATOM 762 O VAL A 49 -4.014 -10.647 1.341 1.00 0.00 O ATOM 763 CB VAL A 49 -0.684 -10.274 2.010 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.613 -9.102 2.991 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.618 -11.077 2.020 1.00 0.00 C ATOM 0 H VAL A 49 -2.306 -12.077 0.474 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.756 -11.527 3.339 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.818 -9.865 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.249 -8.479 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.523 -8.508 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.513 -9.484 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.455 -10.415 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.760 -11.527 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.567 -11.862 1.265 1.00 0.00 H new ATOM 775 N GLN A 50 -3.425 -9.563 3.236 1.00 0.00 N ATOM 776 CA GLN A 50 -4.650 -8.785 3.305 1.00 0.00 C ATOM 777 C GLN A 50 -4.337 -7.292 3.193 1.00 0.00 C ATOM 778 O GLN A 50 -3.338 -6.821 3.735 1.00 0.00 O ATOM 779 CB GLN A 50 -5.421 -9.089 4.590 1.00 0.00 C ATOM 780 CG GLN A 50 -5.484 -10.595 4.850 1.00 0.00 C ATOM 781 CD GLN A 50 -6.669 -11.229 4.119 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.540 -11.789 3.042 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.827 -11.111 4.762 1.00 0.00 N ATOM 0 H GLN A 50 -2.763 -9.384 3.991 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.285 -9.067 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.941 -8.591 5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.431 -8.687 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.556 -11.063 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.572 -10.779 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.865 -10.630 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.678 -11.502 4.357 1.00 0.00 H new ATOM 792 N ALA A 51 -5.209 -6.588 2.486 1.00 0.00 N ATOM 793 CA ALA A 51 -5.039 -5.158 2.296 1.00 0.00 C ATOM 794 C ALA A 51 -4.987 -4.469 3.661 1.00 0.00 C ATOM 795 O ALA A 51 -4.178 -3.568 3.876 1.00 0.00 O ATOM 796 CB ALA A 51 -6.168 -4.621 1.414 1.00 0.00 C ATOM 0 H ALA A 51 -6.036 -6.982 2.038 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.099 -4.948 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.040 -3.548 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.142 -5.121 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.127 -4.811 1.895 1.00 0.00 H new ATOM 802 N THR A 52 -5.862 -4.919 4.549 1.00 0.00 N ATOM 803 CA THR A 52 -5.927 -4.357 5.887 1.00 0.00 C ATOM 804 C THR A 52 -4.531 -4.304 6.511 1.00 0.00 C ATOM 805 O THR A 52 -4.190 -3.343 7.198 1.00 0.00 O ATOM 806 CB THR A 52 -6.925 -5.185 6.699 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.060 -4.332 6.827 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.463 -5.409 8.141 1.00 0.00 C ATOM 0 H THR A 52 -6.532 -5.667 4.368 1.00 0.00 H new ATOM 0 HA THR A 52 -6.279 -3.326 5.867 1.00 0.00 H new ATOM 0 HB THR A 52 -7.078 -6.148 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.758 -4.791 7.340 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.207 -6.002 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.510 -5.938 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.343 -4.446 8.638 1.00 0.00 H new ATOM 816 N GLU A 53 -3.761 -5.351 6.250 1.00 0.00 N ATOM 817 CA GLU A 53 -2.410 -5.436 6.777 1.00 0.00 C ATOM 818 C GLU A 53 -1.534 -4.336 6.173 1.00 0.00 C ATOM 819 O GLU A 53 -0.755 -3.699 6.881 1.00 0.00 O ATOM 820 CB GLU A 53 -1.807 -6.819 6.522 1.00 0.00 C ATOM 821 CG GLU A 53 -1.505 -7.537 7.838 1.00 0.00 C ATOM 822 CD GLU A 53 -0.061 -8.042 7.869 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.813 -7.239 8.259 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.135 -9.220 7.500 1.00 0.00 O ATOM 0 H GLU A 53 -4.048 -6.147 5.680 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.453 -5.288 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.498 -7.417 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.891 -6.718 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.675 -6.858 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.190 -8.375 7.964 1.00 0.00 H new ATOM 831 N ILE A 54 -1.691 -4.147 4.871 1.00 0.00 N ATOM 832 CA ILE A 54 -0.925 -3.135 4.164 1.00 0.00 C ATOM 833 C ILE A 54 -1.275 -1.754 4.721 1.00 0.00 C ATOM 834 O ILE A 54 -0.405 -0.894 4.853 1.00 0.00 O ATOM 835 CB ILE A 54 -1.135 -3.261 2.654 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.590 -4.593 2.134 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.531 -2.066 1.914 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.160 -4.915 0.751 1.00 0.00 C ATOM 0 H ILE A 54 -2.338 -4.678 4.287 1.00 0.00 H new ATOM 0 HA ILE A 54 0.143 -3.283 4.327 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.207 -3.253 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.498 -4.550 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.844 -5.391 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.694 -2.181 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.007 -1.147 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.539 -2.017 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.757 -5.866 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.246 -4.981 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.883 -4.127 0.051 1.00 0.00 H new ATOM 850 N CYS A 55 -2.552 -1.583 5.033 1.00 0.00 N ATOM 851 CA CYS A 55 -3.028 -0.321 5.572 1.00 0.00 C ATOM 852 C CYS A 55 -2.298 -0.055 6.890 1.00 0.00 C ATOM 853 O CYS A 55 -1.882 1.071 7.157 1.00 0.00 O ATOM 854 CB CYS A 55 -4.548 -0.320 5.752 1.00 0.00 C ATOM 855 SG CYS A 55 -5.310 0.905 4.627 1.00 0.00 S ATOM 0 H CYS A 55 -3.271 -2.298 4.923 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.810 0.483 4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.948 -1.313 5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.800 -0.083 6.786 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.414 1.771 4.257 1.00 0.00 H new ATOM 861 N GLN A 56 -2.163 -1.111 7.679 1.00 0.00 N ATOM 862 CA GLN A 56 -1.490 -1.006 8.962 1.00 0.00 C ATOM 863 C GLN A 56 -0.059 -0.498 8.771 1.00 0.00 C ATOM 864 O GLN A 56 0.425 0.314 9.557 1.00 0.00 O ATOM 865 CB GLN A 56 -1.501 -2.347 9.699 1.00 0.00 C ATOM 866 CG GLN A 56 -1.852 -2.158 11.176 1.00 0.00 C ATOM 867 CD GLN A 56 -3.246 -1.548 11.335 1.00 0.00 C ATOM 868 OE1 GLN A 56 -4.257 -2.158 11.030 1.00 0.00 O ATOM 869 NE2 GLN A 56 -3.243 -0.313 11.829 1.00 0.00 N ATOM 0 H GLN A 56 -2.509 -2.044 7.454 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.032 -0.287 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.224 -3.016 9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.524 -2.822 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.811 -3.119 11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.112 -1.512 11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.360 0.140 12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.124 0.181 11.973 1.00 0.00 H new ATOM 878 N ALA A 57 0.577 -0.998 7.722 1.00 0.00 N ATOM 879 CA ALA A 57 1.942 -0.605 7.417 1.00 0.00 C ATOM 880 C ALA A 57 1.990 0.903 7.164 1.00 0.00 C ATOM 881 O ALA A 57 2.970 1.563 7.507 1.00 0.00 O ATOM 882 CB ALA A 57 2.452 -1.413 6.222 1.00 0.00 C ATOM 0 H ALA A 57 0.172 -1.672 7.072 1.00 0.00 H new ATOM 0 HA ALA A 57 2.600 -0.819 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.476 -1.118 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.426 -2.476 6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.818 -1.222 5.356 1.00 0.00 H new ATOM 888 N ILE A 58 0.919 1.405 6.567 1.00 0.00 N ATOM 889 CA ILE A 58 0.827 2.823 6.264 1.00 0.00 C ATOM 890 C ILE A 58 0.620 3.604 7.563 1.00 0.00 C ATOM 891 O ILE A 58 1.315 4.586 7.818 1.00 0.00 O ATOM 892 CB ILE A 58 -0.257 3.077 5.214 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.139 2.480 3.862 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.580 4.569 5.109 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.046 1.764 3.210 1.00 0.00 C ATOM 0 H ILE A 58 0.108 0.855 6.285 1.00 0.00 H new ATOM 0 HA ILE A 58 1.757 3.180 5.821 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.168 2.572 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.498 3.270 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.962 1.779 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.353 4.722 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.935 4.933 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.318 5.116 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.737 1.349 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.387 0.959 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.859 2.473 3.054 1.00 0.00 H new ATOM 907 N ASN A 59 -0.340 3.140 8.349 1.00 0.00 N ATOM 908 CA ASN A 59 -0.647 3.783 9.615 1.00 0.00 C ATOM 909 C ASN A 59 0.551 3.645 10.557 1.00 0.00 C ATOM 910 O ASN A 59 0.792 4.515 11.392 1.00 0.00 O ATOM 911 CB ASN A 59 -1.855 3.128 10.287 1.00 0.00 C ATOM 912 CG ASN A 59 -3.156 3.816 9.870 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.217 5.020 9.677 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.189 2.989 9.742 1.00 0.00 N ATOM 0 H ASN A 59 -0.916 2.326 8.133 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.870 4.831 9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.896 2.072 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.744 3.178 11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.102 3.352 9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.069 1.992 9.919 1.00 0.00 H new ATOM 921 N GLU A 60 1.269 2.544 10.390 1.00 0.00 N ATOM 922 CA GLU A 60 2.436 2.280 11.215 1.00 0.00 C ATOM 923 C GLU A 60 3.465 3.401 11.052 1.00 0.00 C ATOM 924 O GLU A 60 4.393 3.517 11.851 1.00 0.00 O ATOM 925 CB GLU A 60 3.049 0.919 10.879 1.00 0.00 C ATOM 926 CG GLU A 60 2.893 -0.056 12.047 1.00 0.00 C ATOM 927 CD GLU A 60 2.388 -1.416 11.562 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.223 -2.170 11.017 1.00 0.00 O ATOM 929 OE2 GLU A 60 1.178 -1.672 11.747 1.00 0.00 O ATOM 0 H GLU A 60 1.065 1.825 9.696 1.00 0.00 H new ATOM 0 HA GLU A 60 2.121 2.251 12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.568 0.509 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.106 1.041 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.851 -0.179 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.197 0.355 12.778 1.00 0.00 H new ATOM 936 N LEU A 61 3.267 4.197 10.012 1.00 0.00 N ATOM 937 CA LEU A 61 4.166 5.303 9.734 1.00 0.00 C ATOM 938 C LEU A 61 3.837 6.470 10.668 1.00 0.00 C ATOM 939 O LEU A 61 4.587 6.753 11.601 1.00 0.00 O ATOM 940 CB LEU A 61 4.119 5.672 8.250 1.00 0.00 C ATOM 941 CG LEU A 61 4.158 4.501 7.266 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.886 4.976 5.837 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.479 3.737 7.375 1.00 0.00 C ATOM 0 H LEU A 61 2.496 4.098 9.351 1.00 0.00 H new ATOM 0 HA LEU A 61 5.198 5.014 9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.210 6.244 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.960 6.331 8.033 1.00 0.00 H new ATOM 0 HG LEU A 61 3.361 3.806 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.920 4.124 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.901 5.440 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.644 5.703 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.481 2.910 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.308 4.409 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.591 3.347 8.387 1.00 0.00 H new ATOM 955 N GLY A 62 2.714 7.114 10.385 1.00 0.00 N ATOM 956 CA GLY A 62 2.277 8.243 11.188 1.00 0.00 C ATOM 957 C GLY A 62 1.218 9.064 10.449 1.00 0.00 C ATOM 958 O GLY A 62 1.225 10.293 10.511 1.00 0.00 O ATOM 0 H GLY A 62 2.094 6.875 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.870 7.885 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.131 8.876 11.427 1.00 0.00 H new ATOM 962 N TYR A 63 0.332 8.352 9.767 1.00 0.00 N ATOM 963 CA TYR A 63 -0.730 9.000 9.018 1.00 0.00 C ATOM 964 C TYR A 63 -2.007 8.156 9.037 1.00 0.00 C ATOM 965 O TYR A 63 -2.073 7.139 9.725 1.00 0.00 O ATOM 966 CB TYR A 63 -0.226 9.106 7.577 1.00 0.00 C ATOM 967 CG TYR A 63 1.299 9.154 7.454 1.00 0.00 C ATOM 968 CD1 TYR A 63 1.999 10.228 7.966 1.00 0.00 C ATOM 969 CD2 TYR A 63 1.973 8.124 6.831 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.433 10.273 7.850 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.408 8.170 6.715 1.00 0.00 C ATOM 972 CZ TYR A 63 4.067 9.242 7.230 1.00 0.00 C ATOM 973 OH TYR A 63 5.422 9.284 7.121 1.00 0.00 O ATOM 0 H TYR A 63 0.329 7.333 9.718 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.967 9.972 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.600 8.254 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.646 10.003 7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.471 11.034 8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.425 7.284 6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.993 11.107 8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.948 7.371 6.230 1.00 0.00 H new ATOM 0 HH TYR A 63 5.671 9.821 6.340 1.00 0.00 H new ATOM 983 N GLN A 64 -2.990 8.611 8.273 1.00 0.00 N ATOM 984 CA GLN A 64 -4.261 7.911 8.193 1.00 0.00 C ATOM 985 C GLN A 64 -4.381 7.179 6.855 1.00 0.00 C ATOM 986 O GLN A 64 -4.158 7.769 5.799 1.00 0.00 O ATOM 987 CB GLN A 64 -5.431 8.875 8.399 1.00 0.00 C ATOM 988 CG GLN A 64 -6.381 8.361 9.483 1.00 0.00 C ATOM 989 CD GLN A 64 -5.804 8.607 10.878 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.307 9.676 11.194 1.00 0.00 O ATOM 991 NE2 GLN A 64 -5.897 7.560 11.694 1.00 0.00 N ATOM 0 H GLN A 64 -2.932 9.456 7.704 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.298 7.171 8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.052 9.858 8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.975 8.998 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.346 8.859 9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.558 7.295 9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.325 6.694 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.541 7.623 12.648 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.734 5.905 6.943 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.887 5.087 5.752 1.00 0.00 C ATOM 1002 C ALA A 65 -6.013 4.076 5.974 1.00 0.00 C ATOM 1003 O ALA A 65 -6.013 3.349 6.966 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.554 4.412 5.422 1.00 0.00 C ATOM 0 H ALA A 65 -4.918 5.419 7.821 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.162 5.703 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.668 3.798 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.795 5.174 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.248 3.783 6.258 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.947 4.064 5.034 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.078 3.154 5.114 1.00 0.00 C ATOM 1012 C GLU A 66 -8.191 2.334 3.828 1.00 0.00 C ATOM 1013 O GLU A 66 -7.801 2.795 2.757 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.375 3.915 5.396 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.987 3.480 6.729 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.504 3.318 6.608 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.131 4.243 6.048 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.002 2.272 7.079 1.00 0.00 O ATOM 0 H GLU A 66 -6.944 4.670 4.213 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.910 2.469 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.175 4.986 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.087 3.738 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.541 2.538 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.756 4.218 7.497 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.727 1.131 3.976 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.897 0.242 2.840 1.00 0.00 C ATOM 1027 C VAL A 67 -10.212 0.574 2.130 1.00 0.00 C ATOM 1028 O VAL A 67 -11.278 0.539 2.743 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.817 -1.215 3.298 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.112 -2.171 2.141 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.455 -1.518 3.927 1.00 0.00 C ATOM 0 H VAL A 67 -9.049 0.751 4.866 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.092 0.386 2.119 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.580 -1.368 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.048 -3.200 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.114 -1.980 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.384 -2.015 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.424 -2.560 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.668 -1.338 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.301 -0.871 4.791 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.092 0.889 0.849 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.258 1.227 0.049 1.00 0.00 C ATOM 1043 C ILE A 68 -11.301 0.326 -1.187 1.00 0.00 C ATOM 1044 O ILE A 68 -12.007 -0.681 -1.201 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.268 2.721 -0.278 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -11.595 3.552 0.964 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.221 3.023 -1.436 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.520 3.378 2.039 1.00 0.00 C ATOM 0 H ILE A 68 -9.206 0.917 0.345 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.173 1.041 0.611 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.267 3.006 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.675 4.604 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.564 3.252 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.209 4.092 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.902 2.474 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.232 2.718 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.777 3.979 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.460 2.328 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.556 3.702 1.646 1.00 0.00 H new TER 1060 ILE A 68