USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 16 THR OG1 : rot 180:sc= -0.0278 USER MOD Set 1.2: A 27 SER OG : rot 100:sc= 0.205 USER MOD Set 1.3: A 30 ASN : amide:sc= 0 K(o=0.18,f=-0.62) USER MOD Single : A 2 SER OG : rot -21:sc= 0.283 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.8!) USER MOD Single : A 9 SER OG : rot -150:sc= -0.545 USER MOD Single : A 14 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 28 THR OG1 : rot 139:sc= 0.748 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0111 (180deg=-0.144) USER MOD Single : A 43 SER OG : rot -5:sc= 0.232 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.233 K(o=-0.23,f=-0.8) USER MOD Single : A 51 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.24) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -111:sc= 1.3 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 28:sc= 0.0796 USER MOD Single : A 80 GLN : amide:sc= 0.0354 K(o=0.035,f=-1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 43:sc= 0.238 USER MOD Single : A 88 MET CE :methyl -161:sc= -0.0414 (180deg=-0.405) USER MOD Single : A 99 MET CE :methyl -150:sc= -0.454 (180deg=-2.45!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 138:sc= -0.0979 (180deg=-0.505) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -175:sc= 0 (180deg=-0.0212) USER MOD Single : A 117 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.1) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 80:sc= 0.0101 USER MOD Single : A 126 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.3) USER MOD Single : A 133 THR OG1 : rot 32:sc= 0.215 USER MOD Single : A 135 HIS : no HD1:sc= 1.14 K(o=1.1,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 22.131 -4.700 7.008 1.00 0.00 N ATOM 21 CA SER A 2 21.096 -3.773 6.575 1.00 0.00 C ATOM 22 C SER A 2 21.569 -2.332 6.719 1.00 0.00 C ATOM 23 O SER A 2 20.832 -1.464 7.184 1.00 0.00 O ATOM 24 CB SER A 2 19.817 -4.005 7.383 1.00 0.00 C ATOM 25 OG SER A 2 20.099 -4.166 8.767 1.00 0.00 O ATOM 0 HA SER A 2 20.883 -3.953 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.139 -3.163 7.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.305 -4.891 7.009 1.00 0.00 H new ATOM 0 HG SER A 2 21.036 -4.429 8.881 1.00 0.00 H new ATOM 31 N GLU A 3 22.808 -2.088 6.319 1.00 0.00 N ATOM 32 CA GLU A 3 23.395 -0.759 6.420 1.00 0.00 C ATOM 33 C GLU A 3 22.865 0.122 5.305 1.00 0.00 C ATOM 34 O GLU A 3 22.642 1.321 5.479 1.00 0.00 O ATOM 35 CB GLU A 3 24.927 -0.816 6.341 1.00 0.00 C ATOM 36 CG GLU A 3 25.591 -1.684 7.395 1.00 0.00 C ATOM 37 CD GLU A 3 25.354 -3.167 7.192 1.00 0.00 C ATOM 38 OE1 GLU A 3 25.992 -3.759 6.297 1.00 0.00 O ATOM 39 OE2 GLU A 3 24.521 -3.749 7.917 1.00 0.00 O ATOM 0 H GLU A 3 23.428 -2.794 5.921 1.00 0.00 H new ATOM 0 HA GLU A 3 23.117 -0.342 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.212 -1.185 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.318 0.198 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.664 -1.491 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.220 -1.396 8.379 1.00 0.00 H new ATOM 46 N SER A 4 22.656 -0.496 4.163 1.00 0.00 N ATOM 47 CA SER A 4 22.160 0.193 2.993 1.00 0.00 C ATOM 48 C SER A 4 21.035 -0.609 2.364 1.00 0.00 C ATOM 49 O SER A 4 20.920 -1.817 2.589 1.00 0.00 O ATOM 50 CB SER A 4 23.299 0.406 1.998 1.00 0.00 C ATOM 51 OG SER A 4 24.015 -0.801 1.780 1.00 0.00 O ATOM 0 H SER A 4 22.826 -1.492 4.020 1.00 0.00 H new ATOM 0 HA SER A 4 21.768 1.168 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.898 0.771 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.977 1.173 2.374 1.00 0.00 H new ATOM 0 HG SER A 4 24.738 -0.641 1.138 1.00 0.00 H new ATOM 57 N VAL A 5 20.194 0.069 1.599 1.00 0.00 N ATOM 58 CA VAL A 5 19.056 -0.574 0.977 1.00 0.00 C ATOM 59 C VAL A 5 19.524 -1.496 -0.140 1.00 0.00 C ATOM 60 O VAL A 5 20.440 -1.164 -0.895 1.00 0.00 O ATOM 61 CB VAL A 5 18.052 0.459 0.418 1.00 0.00 C ATOM 62 CG1 VAL A 5 18.649 1.206 -0.745 1.00 0.00 C ATOM 63 CG2 VAL A 5 16.738 -0.205 0.032 1.00 0.00 C ATOM 0 H VAL A 5 20.281 1.065 1.396 1.00 0.00 H new ATOM 0 HA VAL A 5 18.545 -1.157 1.743 1.00 0.00 H new ATOM 0 HB VAL A 5 17.835 1.181 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.926 1.928 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 5 19.548 1.730 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.907 0.502 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.051 0.546 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.922 -0.960 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.298 -0.678 0.910 1.00 0.00 H new ATOM 73 N GLN A 6 18.909 -2.654 -0.227 1.00 0.00 N ATOM 74 CA GLN A 6 19.241 -3.616 -1.251 1.00 0.00 C ATOM 75 C GLN A 6 17.970 -4.292 -1.705 1.00 0.00 C ATOM 76 O GLN A 6 16.945 -4.196 -1.030 1.00 0.00 O ATOM 77 CB GLN A 6 20.256 -4.627 -0.735 1.00 0.00 C ATOM 78 CG GLN A 6 19.804 -5.329 0.518 1.00 0.00 C ATOM 79 CD GLN A 6 20.958 -5.646 1.442 1.00 0.00 C ATOM 80 OE1 GLN A 6 21.544 -6.728 1.381 1.00 0.00 O ATOM 81 NE2 GLN A 6 21.313 -4.692 2.285 1.00 0.00 N ATOM 0 H GLN A 6 18.168 -2.954 0.407 1.00 0.00 H new ATOM 0 HA GLN A 6 19.701 -3.110 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.448 -5.368 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 6 21.200 -4.118 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.082 -4.704 1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.291 -6.253 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.800 -3.810 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 6 22.100 -4.837 2.918 1.00 0.00 H new ATOM 90 N SER A 7 18.022 -4.957 -2.839 1.00 0.00 N ATOM 91 CA SER A 7 16.844 -5.602 -3.371 1.00 0.00 C ATOM 92 C SER A 7 16.422 -6.767 -2.475 1.00 0.00 C ATOM 93 O SER A 7 17.265 -7.540 -2.014 1.00 0.00 O ATOM 94 CB SER A 7 17.104 -6.065 -4.804 1.00 0.00 C ATOM 95 OG SER A 7 18.169 -7.004 -4.866 1.00 0.00 O ATOM 0 H SER A 7 18.863 -5.064 -3.407 1.00 0.00 H new ATOM 0 HA SER A 7 16.022 -4.886 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.198 -6.514 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.341 -5.203 -5.428 1.00 0.00 H new ATOM 0 HG SER A 7 18.308 -7.281 -5.796 1.00 0.00 H new ATOM 101 N ASN A 8 15.117 -6.861 -2.227 1.00 0.00 N ATOM 102 CA ASN A 8 14.529 -7.896 -1.367 1.00 0.00 C ATOM 103 C ASN A 8 14.865 -7.661 0.115 1.00 0.00 C ATOM 104 O ASN A 8 14.940 -8.598 0.907 1.00 0.00 O ATOM 105 CB ASN A 8 14.974 -9.302 -1.810 1.00 0.00 C ATOM 106 CG ASN A 8 14.185 -10.416 -1.142 1.00 0.00 C ATOM 107 OD1 ASN A 8 13.003 -10.260 -0.833 1.00 0.00 O ATOM 108 ND2 ASN A 8 14.836 -11.545 -0.905 1.00 0.00 N ATOM 0 H ASN A 8 14.429 -6.218 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 8 13.446 -7.830 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.866 -9.387 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.033 -9.429 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.358 -12.324 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.815 -11.636 -1.176 1.00 0.00 H new ATOM 115 N SER A 9 15.070 -6.407 0.499 1.00 0.00 N ATOM 116 CA SER A 9 15.265 -6.080 1.905 1.00 0.00 C ATOM 117 C SER A 9 14.326 -4.963 2.317 1.00 0.00 C ATOM 118 O SER A 9 14.212 -3.952 1.631 1.00 0.00 O ATOM 119 CB SER A 9 16.715 -5.695 2.169 1.00 0.00 C ATOM 120 OG SER A 9 17.580 -6.760 1.815 1.00 0.00 O ATOM 0 H SER A 9 15.105 -5.609 -0.135 1.00 0.00 H new ATOM 0 HA SER A 9 15.036 -6.961 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.972 -4.804 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.846 -5.446 3.222 1.00 0.00 H new ATOM 0 HG SER A 9 18.378 -6.735 2.383 1.00 0.00 H new ATOM 126 N ALA A 10 13.664 -5.146 3.446 1.00 0.00 N ATOM 127 CA ALA A 10 12.613 -4.239 3.858 1.00 0.00 C ATOM 128 C ALA A 10 13.194 -3.024 4.555 1.00 0.00 C ATOM 129 O ALA A 10 14.358 -3.025 4.951 1.00 0.00 O ATOM 130 CB ALA A 10 11.627 -4.959 4.763 1.00 0.00 C ATOM 0 H ALA A 10 13.837 -5.916 4.093 1.00 0.00 H new ATOM 0 HA ALA A 10 12.083 -3.895 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.841 -4.268 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.185 -5.798 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.147 -5.328 5.647 1.00 0.00 H new ATOM 136 N VAL A 11 12.382 -1.996 4.719 1.00 0.00 N ATOM 137 CA VAL A 11 12.853 -0.745 5.287 1.00 0.00 C ATOM 138 C VAL A 11 11.776 -0.126 6.165 1.00 0.00 C ATOM 139 O VAL A 11 10.586 -0.178 5.841 1.00 0.00 O ATOM 140 CB VAL A 11 13.287 0.284 4.206 1.00 0.00 C ATOM 141 CG1 VAL A 11 14.419 -0.263 3.345 1.00 0.00 C ATOM 142 CG2 VAL A 11 12.113 0.707 3.334 1.00 0.00 C ATOM 0 H VAL A 11 11.394 -2.002 4.467 1.00 0.00 H new ATOM 0 HA VAL A 11 13.733 -0.988 5.882 1.00 0.00 H new ATOM 0 HB VAL A 11 13.652 1.167 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.700 0.480 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.280 -0.488 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.088 -1.173 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.453 1.427 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.700 -0.167 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.344 1.165 3.956 1.00 0.00 H new ATOM 152 N LEU A 12 12.200 0.422 7.287 1.00 0.00 N ATOM 153 CA LEU A 12 11.320 1.175 8.157 1.00 0.00 C ATOM 154 C LEU A 12 11.284 2.609 7.665 1.00 0.00 C ATOM 155 O LEU A 12 12.326 3.257 7.537 1.00 0.00 O ATOM 156 CB LEU A 12 11.813 1.109 9.606 1.00 0.00 C ATOM 157 CG LEU A 12 11.732 -0.274 10.254 1.00 0.00 C ATOM 158 CD1 LEU A 12 12.535 -0.311 11.541 1.00 0.00 C ATOM 159 CD2 LEU A 12 10.285 -0.651 10.530 1.00 0.00 C ATOM 0 H LEU A 12 13.162 0.358 7.620 1.00 0.00 H new ATOM 0 HA LEU A 12 10.316 0.751 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.848 1.448 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.230 1.809 10.205 1.00 0.00 H new ATOM 0 HG LEU A 12 12.156 -0.999 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.464 -1.304 11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.579 -0.084 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.140 0.428 12.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.248 -1.638 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.840 0.081 11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.728 -0.667 9.593 1.00 0.00 H new ATOM 171 N VAL A 13 10.096 3.099 7.386 1.00 0.00 N ATOM 172 CA VAL A 13 9.965 4.344 6.660 1.00 0.00 C ATOM 173 C VAL A 13 8.913 5.268 7.251 1.00 0.00 C ATOM 174 O VAL A 13 7.954 4.844 7.903 1.00 0.00 O ATOM 175 CB VAL A 13 9.664 4.080 5.159 1.00 0.00 C ATOM 176 CG1 VAL A 13 8.485 3.143 4.978 1.00 0.00 C ATOM 177 CG2 VAL A 13 9.415 5.363 4.382 1.00 0.00 C ATOM 0 H VAL A 13 9.214 2.659 7.648 1.00 0.00 H new ATOM 0 HA VAL A 13 10.924 4.853 6.751 1.00 0.00 H new ATOM 0 HB VAL A 13 10.559 3.606 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.307 2.984 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.702 2.188 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.597 3.583 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.210 5.123 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.560 5.887 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.297 6.001 4.440 1.00 0.00 H new ATOM 187 N HIS A 14 9.140 6.538 7.008 1.00 0.00 N ATOM 188 CA HIS A 14 8.158 7.583 7.238 1.00 0.00 C ATOM 189 C HIS A 14 7.977 8.305 5.917 1.00 0.00 C ATOM 190 O HIS A 14 8.926 8.894 5.405 1.00 0.00 O ATOM 191 CB HIS A 14 8.618 8.578 8.307 1.00 0.00 C ATOM 192 CG HIS A 14 8.041 8.339 9.671 1.00 0.00 C ATOM 193 ND1 HIS A 14 6.709 8.058 9.892 1.00 0.00 N ATOM 194 CD2 HIS A 14 8.620 8.373 10.894 1.00 0.00 C ATOM 195 CE1 HIS A 14 6.498 7.941 11.190 1.00 0.00 C ATOM 196 NE2 HIS A 14 7.640 8.125 11.818 1.00 0.00 N ATOM 0 H HIS A 14 10.026 6.884 6.639 1.00 0.00 H new ATOM 0 HA HIS A 14 7.228 7.142 7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.705 8.541 8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.352 9.585 7.986 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.999 7.957 9.167 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.663 8.561 11.103 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.548 7.730 11.658 1.00 0.00 H new ATOM 205 N PHE A 15 6.794 8.248 5.341 1.00 0.00 N ATOM 206 CA PHE A 15 6.631 8.787 3.998 1.00 0.00 C ATOM 207 C PHE A 15 5.296 9.488 3.810 1.00 0.00 C ATOM 208 O PHE A 15 4.420 9.435 4.671 1.00 0.00 O ATOM 209 CB PHE A 15 6.810 7.683 2.943 1.00 0.00 C ATOM 210 CG PHE A 15 5.629 6.764 2.767 1.00 0.00 C ATOM 211 CD1 PHE A 15 5.376 5.744 3.671 1.00 0.00 C ATOM 212 CD2 PHE A 15 4.780 6.917 1.681 1.00 0.00 C ATOM 213 CE1 PHE A 15 4.297 4.899 3.496 1.00 0.00 C ATOM 214 CE2 PHE A 15 3.702 6.075 1.501 1.00 0.00 C ATOM 215 CZ PHE A 15 3.458 5.064 2.410 1.00 0.00 C ATOM 0 H PHE A 15 5.954 7.849 5.760 1.00 0.00 H new ATOM 0 HA PHE A 15 7.410 9.538 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.031 8.152 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.679 7.083 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.029 5.608 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.965 7.706 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.109 4.109 4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.050 6.206 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.614 4.404 2.273 1.00 0.00 H new ATOM 225 N THR A 16 5.184 10.190 2.696 1.00 0.00 N ATOM 226 CA THR A 16 3.948 10.857 2.321 1.00 0.00 C ATOM 227 C THR A 16 3.774 10.844 0.803 1.00 0.00 C ATOM 228 O THR A 16 4.746 10.978 0.057 1.00 0.00 O ATOM 229 CB THR A 16 3.918 12.306 2.851 1.00 0.00 C ATOM 230 OG1 THR A 16 4.250 12.314 4.245 1.00 0.00 O ATOM 231 CG2 THR A 16 2.545 12.933 2.664 1.00 0.00 C ATOM 0 H THR A 16 5.944 10.314 2.027 1.00 0.00 H new ATOM 0 HA THR A 16 3.120 10.312 2.774 1.00 0.00 H new ATOM 0 HB THR A 16 4.646 12.888 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.232 13.235 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.556 13.953 3.047 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.292 12.946 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.802 12.349 3.207 1.00 0.00 H new ATOM 239 N LEU A 17 2.535 10.678 0.360 1.00 0.00 N ATOM 240 CA LEU A 17 2.212 10.550 -1.049 1.00 0.00 C ATOM 241 C LEU A 17 1.571 11.841 -1.544 1.00 0.00 C ATOM 242 O LEU A 17 0.604 12.315 -0.949 1.00 0.00 O ATOM 243 CB LEU A 17 1.222 9.399 -1.236 1.00 0.00 C ATOM 244 CG LEU A 17 1.513 8.437 -2.385 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.945 9.183 -3.630 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.537 7.400 -1.959 1.00 0.00 C ATOM 0 H LEU A 17 1.723 10.628 0.975 1.00 0.00 H new ATOM 0 HA LEU A 17 3.123 10.353 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.186 8.825 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.229 9.823 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 17 0.593 7.911 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.145 8.470 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.152 9.864 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.850 9.753 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.734 6.721 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.462 7.899 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.151 6.834 -1.111 1.00 0.00 H new ATOM 258 N LYS A 18 2.085 12.395 -2.631 1.00 0.00 N ATOM 259 CA LYS A 18 1.628 13.690 -3.115 1.00 0.00 C ATOM 260 C LYS A 18 1.182 13.636 -4.575 1.00 0.00 C ATOM 261 O LYS A 18 1.817 13.007 -5.422 1.00 0.00 O ATOM 262 CB LYS A 18 2.744 14.728 -2.942 1.00 0.00 C ATOM 263 CG LYS A 18 2.535 15.677 -1.766 1.00 0.00 C ATOM 264 CD LYS A 18 2.151 14.932 -0.495 1.00 0.00 C ATOM 265 CE LYS A 18 1.884 15.872 0.669 1.00 0.00 C ATOM 266 NZ LYS A 18 3.138 16.349 1.300 1.00 0.00 N ATOM 0 H LYS A 18 2.819 11.968 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 18 0.759 13.978 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.693 14.207 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.826 15.314 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.449 16.245 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.755 16.396 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.262 14.331 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.951 14.242 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.307 16.728 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.275 15.361 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.909 16.987 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.678 15.535 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.708 16.860 0.596 1.00 0.00 H new ATOM 280 N LEU A 19 0.061 14.291 -4.842 1.00 0.00 N ATOM 281 CA LEU A 19 -0.437 14.483 -6.200 1.00 0.00 C ATOM 282 C LEU A 19 0.337 15.600 -6.884 1.00 0.00 C ATOM 283 O LEU A 19 1.182 16.233 -6.258 1.00 0.00 O ATOM 284 CB LEU A 19 -1.935 14.824 -6.215 1.00 0.00 C ATOM 285 CG LEU A 19 -2.902 13.670 -5.937 1.00 0.00 C ATOM 286 CD1 LEU A 19 -2.583 12.496 -6.839 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.870 13.247 -4.480 1.00 0.00 C ATOM 0 H LEU A 19 -0.531 14.706 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.295 13.545 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.114 15.605 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.179 15.246 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.912 14.021 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.276 11.680 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.680 12.801 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.563 12.161 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.570 12.426 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.864 12.921 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.154 14.090 -3.850 1.00 0.00 H new ATOM 299 N ASP A 20 0.079 15.829 -8.162 1.00 0.00 N ATOM 300 CA ASP A 20 0.727 16.927 -8.883 1.00 0.00 C ATOM 301 C ASP A 20 0.385 18.284 -8.247 1.00 0.00 C ATOM 302 O ASP A 20 1.171 19.228 -8.316 1.00 0.00 O ATOM 303 CB ASP A 20 0.331 16.911 -10.362 1.00 0.00 C ATOM 304 CG ASP A 20 0.867 15.693 -11.095 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.072 15.666 -11.415 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.083 14.751 -11.348 1.00 0.00 O ATOM 0 H ASP A 20 -0.569 15.277 -8.723 1.00 0.00 H new ATOM 0 HA ASP A 20 1.805 16.784 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.756 16.931 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.704 17.815 -10.844 1.00 0.00 H new ATOM 311 N ASP A 21 -0.785 18.366 -7.607 1.00 0.00 N ATOM 312 CA ASP A 21 -1.184 19.564 -6.847 1.00 0.00 C ATOM 313 C ASP A 21 -0.519 19.551 -5.462 1.00 0.00 C ATOM 314 O ASP A 21 -0.731 20.427 -4.624 1.00 0.00 O ATOM 315 CB ASP A 21 -2.716 19.612 -6.715 1.00 0.00 C ATOM 316 CG ASP A 21 -3.222 20.853 -6.001 1.00 0.00 C ATOM 317 OD1 ASP A 21 -3.141 21.956 -6.583 1.00 0.00 O ATOM 318 OD2 ASP A 21 -3.719 20.731 -4.861 1.00 0.00 O ATOM 0 H ASP A 21 -1.477 17.617 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.854 20.456 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.160 19.568 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.054 18.728 -6.175 1.00 0.00 H new ATOM 323 N GLY A 22 0.332 18.558 -5.278 1.00 0.00 N ATOM 324 CA GLY A 22 0.990 18.333 -4.005 1.00 0.00 C ATOM 325 C GLY A 22 0.020 17.913 -2.917 1.00 0.00 C ATOM 326 O GLY A 22 0.316 18.028 -1.729 1.00 0.00 O ATOM 0 H GLY A 22 0.585 17.888 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.752 17.563 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.503 19.245 -3.698 1.00 0.00 H new ATOM 330 N THR A 23 -1.143 17.435 -3.330 1.00 0.00 N ATOM 331 CA THR A 23 -2.156 16.964 -2.403 1.00 0.00 C ATOM 332 C THR A 23 -1.734 15.633 -1.788 1.00 0.00 C ATOM 333 O THR A 23 -1.124 14.803 -2.457 1.00 0.00 O ATOM 334 CB THR A 23 -3.503 16.793 -3.132 1.00 0.00 C ATOM 335 OG1 THR A 23 -3.790 17.970 -3.896 1.00 0.00 O ATOM 336 CG2 THR A 23 -4.635 16.530 -2.151 1.00 0.00 C ATOM 0 H THR A 23 -1.409 17.363 -4.312 1.00 0.00 H new ATOM 0 HA THR A 23 -2.268 17.702 -1.609 1.00 0.00 H new ATOM 0 HB THR A 23 -3.423 15.931 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.646 17.858 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.571 16.414 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.427 15.618 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.720 17.369 -1.460 1.00 0.00 H new ATOM 344 N THR A 24 -2.038 15.439 -0.516 1.00 0.00 N ATOM 345 CA THR A 24 -1.694 14.202 0.157 1.00 0.00 C ATOM 346 C THR A 24 -2.654 13.081 -0.233 1.00 0.00 C ATOM 347 O THR A 24 -3.819 13.080 0.165 1.00 0.00 O ATOM 348 CB THR A 24 -1.707 14.380 1.689 1.00 0.00 C ATOM 349 OG1 THR A 24 -0.828 15.447 2.061 1.00 0.00 O ATOM 350 CG2 THR A 24 -1.274 13.103 2.394 1.00 0.00 C ATOM 0 H THR A 24 -2.521 16.121 0.069 1.00 0.00 H new ATOM 0 HA THR A 24 -0.686 13.932 -0.158 1.00 0.00 H new ATOM 0 HB THR A 24 -2.727 14.615 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.841 15.557 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.293 13.259 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.956 12.294 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.263 12.841 2.083 1.00 0.00 H new ATOM 358 N ALA A 25 -2.162 12.140 -1.027 1.00 0.00 N ATOM 359 CA ALA A 25 -2.937 10.959 -1.380 1.00 0.00 C ATOM 360 C ALA A 25 -2.934 9.979 -0.213 1.00 0.00 C ATOM 361 O ALA A 25 -3.924 9.299 0.056 1.00 0.00 O ATOM 362 CB ALA A 25 -2.370 10.295 -2.633 1.00 0.00 C ATOM 0 H ALA A 25 -1.229 12.172 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.962 11.261 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.964 9.415 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.403 10.999 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.338 9.997 -2.451 1.00 0.00 H new ATOM 368 N GLU A 26 -1.804 9.935 0.480 1.00 0.00 N ATOM 369 CA GLU A 26 -1.607 9.053 1.620 1.00 0.00 C ATOM 370 C GLU A 26 -0.447 9.578 2.455 1.00 0.00 C ATOM 371 O GLU A 26 0.517 10.111 1.914 1.00 0.00 O ATOM 372 CB GLU A 26 -1.314 7.626 1.138 1.00 0.00 C ATOM 373 CG GLU A 26 -1.014 6.630 2.251 1.00 0.00 C ATOM 374 CD GLU A 26 -2.191 6.414 3.184 1.00 0.00 C ATOM 375 OE1 GLU A 26 -2.357 7.204 4.138 1.00 0.00 O ATOM 376 OE2 GLU A 26 -2.953 5.445 2.975 1.00 0.00 O ATOM 0 H GLU A 26 -0.993 10.515 0.264 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.511 9.030 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.170 7.266 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.465 7.654 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.727 5.676 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.160 6.984 2.828 1.00 0.00 H new ATOM 383 N SER A 27 -0.553 9.469 3.759 1.00 0.00 N ATOM 384 CA SER A 27 0.536 9.841 4.635 1.00 0.00 C ATOM 385 C SER A 27 0.881 8.659 5.530 1.00 0.00 C ATOM 386 O SER A 27 0.022 7.840 5.849 1.00 0.00 O ATOM 387 CB SER A 27 0.160 11.056 5.491 1.00 0.00 C ATOM 388 OG SER A 27 1.287 11.551 6.206 1.00 0.00 O ATOM 0 H SER A 27 -1.385 9.125 4.239 1.00 0.00 H new ATOM 0 HA SER A 27 1.401 10.111 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.243 11.843 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.627 10.780 6.193 1.00 0.00 H new ATOM 0 HG SER A 27 1.655 12.330 5.739 1.00 0.00 H new ATOM 394 N THR A 28 2.135 8.553 5.914 1.00 0.00 N ATOM 395 CA THR A 28 2.571 7.580 6.877 1.00 0.00 C ATOM 396 C THR A 28 3.739 8.204 7.638 1.00 0.00 C ATOM 397 O THR A 28 4.816 7.631 7.834 1.00 0.00 O ATOM 398 CB THR A 28 2.978 6.268 6.205 1.00 0.00 C ATOM 399 OG1 THR A 28 1.908 5.794 5.372 1.00 0.00 O ATOM 400 CG2 THR A 28 3.293 5.244 7.260 1.00 0.00 C ATOM 0 H THR A 28 2.883 9.148 5.560 1.00 0.00 H new ATOM 0 HA THR A 28 1.760 7.326 7.559 1.00 0.00 H new ATOM 0 HB THR A 28 3.860 6.436 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.276 5.444 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.583 4.308 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.112 5.603 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.412 5.077 7.880 1.00 0.00 H new ATOM 408 N ARG A 29 3.509 9.448 7.985 1.00 0.00 N ATOM 409 CA ARG A 29 4.476 10.264 8.694 1.00 0.00 C ATOM 410 C ARG A 29 3.750 11.305 9.535 1.00 0.00 C ATOM 411 O ARG A 29 4.053 11.479 10.712 1.00 0.00 O ATOM 412 CB ARG A 29 5.427 10.930 7.693 1.00 0.00 C ATOM 413 CG ARG A 29 6.516 11.779 8.331 1.00 0.00 C ATOM 414 CD ARG A 29 7.560 12.201 7.307 1.00 0.00 C ATOM 415 NE ARG A 29 6.969 12.906 6.170 1.00 0.00 N ATOM 416 CZ ARG A 29 7.586 13.095 5.003 1.00 0.00 C ATOM 417 NH1 ARG A 29 8.798 12.599 4.791 1.00 0.00 N ATOM 418 NH2 ARG A 29 6.981 13.780 4.042 1.00 0.00 N ATOM 0 H ARG A 29 2.634 9.932 7.782 1.00 0.00 H new ATOM 0 HA ARG A 29 5.067 9.636 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.896 10.156 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.844 11.556 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.071 12.664 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.996 11.217 9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.297 12.844 7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.091 11.319 6.949 1.00 0.00 H new ATOM 0 HE ARG A 29 6.025 13.277 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.267 12.067 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.261 12.749 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.047 14.160 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.449 13.927 3.148 1.00 0.00 H new ATOM 432 N ASN A 30 2.760 11.964 8.933 1.00 0.00 N ATOM 433 CA ASN A 30 1.950 12.954 9.646 1.00 0.00 C ATOM 434 C ASN A 30 1.094 12.279 10.708 1.00 0.00 C ATOM 435 O ASN A 30 0.716 12.894 11.705 1.00 0.00 O ATOM 436 CB ASN A 30 1.049 13.726 8.675 1.00 0.00 C ATOM 437 CG ASN A 30 1.833 14.585 7.703 1.00 0.00 C ATOM 438 OD1 ASN A 30 2.915 15.074 8.025 1.00 0.00 O ATOM 439 ND2 ASN A 30 1.293 14.778 6.508 1.00 0.00 N ATOM 0 H ASN A 30 2.499 11.831 7.956 1.00 0.00 H new ATOM 0 HA ASN A 30 2.631 13.656 10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.436 13.019 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.367 14.359 9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.777 15.350 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.393 14.354 6.280 1.00 0.00 H new ATOM 446 N ASN A 31 0.799 11.003 10.482 1.00 0.00 N ATOM 447 CA ASN A 31 -0.011 10.219 11.409 1.00 0.00 C ATOM 448 C ASN A 31 0.809 9.810 12.625 1.00 0.00 C ATOM 449 O ASN A 31 0.266 9.325 13.616 1.00 0.00 O ATOM 450 CB ASN A 31 -0.555 8.962 10.718 1.00 0.00 C ATOM 451 CG ASN A 31 -1.381 9.271 9.485 1.00 0.00 C ATOM 452 OD1 ASN A 31 -2.027 10.313 9.392 1.00 0.00 O ATOM 453 ND2 ASN A 31 -1.361 8.364 8.526 1.00 0.00 N ATOM 0 H ASN A 31 1.111 10.487 9.659 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.845 10.841 11.733 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.279 8.319 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.165 8.401 11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.894 8.515 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.812 7.512 8.641 1.00 0.00 H new ATOM 460 N GLY A 32 2.124 9.983 12.532 1.00 0.00 N ATOM 461 CA GLY A 32 3.004 9.622 13.627 1.00 0.00 C ATOM 462 C GLY A 32 3.341 8.149 13.614 1.00 0.00 C ATOM 463 O GLY A 32 4.100 7.663 14.448 1.00 0.00 O ATOM 0 H GLY A 32 2.596 10.368 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.922 10.206 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.529 9.878 14.574 1.00 0.00 H new ATOM 467 N LYS A 33 2.775 7.440 12.654 1.00 0.00 N ATOM 468 CA LYS A 33 2.973 6.010 12.546 1.00 0.00 C ATOM 469 C LYS A 33 3.878 5.680 11.369 1.00 0.00 C ATOM 470 O LYS A 33 3.594 6.078 10.241 1.00 0.00 O ATOM 471 CB LYS A 33 1.628 5.306 12.369 1.00 0.00 C ATOM 472 CG LYS A 33 0.659 5.546 13.514 1.00 0.00 C ATOM 473 CD LYS A 33 -0.695 4.922 13.232 1.00 0.00 C ATOM 474 CE LYS A 33 -1.642 5.080 14.411 1.00 0.00 C ATOM 475 NZ LYS A 33 -1.860 6.508 14.772 1.00 0.00 N ATOM 0 H LYS A 33 2.171 7.837 11.934 1.00 0.00 H new ATOM 0 HA LYS A 33 3.448 5.661 13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.170 5.645 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.799 4.234 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.069 5.129 14.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.541 6.618 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.133 5.386 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.568 3.863 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.599 4.618 14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.239 4.547 15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.635 6.577 15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.990 6.898 15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.108 7.048 13.918 1.00 0.00 H new ATOM 489 N PRO A 34 5.008 5.004 11.621 1.00 0.00 N ATOM 490 CA PRO A 34 5.873 4.483 10.567 1.00 0.00 C ATOM 491 C PRO A 34 5.306 3.229 9.931 1.00 0.00 C ATOM 492 O PRO A 34 4.347 2.635 10.426 1.00 0.00 O ATOM 493 CB PRO A 34 7.189 4.151 11.285 1.00 0.00 C ATOM 494 CG PRO A 34 7.046 4.718 12.653 1.00 0.00 C ATOM 495 CD PRO A 34 5.574 4.723 12.944 1.00 0.00 C ATOM 0 HA PRO A 34 5.988 5.204 9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.356 3.074 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.041 4.589 10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.587 4.116 13.384 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.458 5.726 12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.232 3.767 13.340 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.304 5.486 13.675 1.00 0.00 H new ATOM 503 N ALA A 35 5.911 2.839 8.834 1.00 0.00 N ATOM 504 CA ALA A 35 5.504 1.652 8.107 1.00 0.00 C ATOM 505 C ALA A 35 6.733 0.921 7.597 1.00 0.00 C ATOM 506 O ALA A 35 7.820 1.497 7.546 1.00 0.00 O ATOM 507 CB ALA A 35 4.592 2.033 6.951 1.00 0.00 C ATOM 0 H ALA A 35 6.700 3.333 8.417 1.00 0.00 H new ATOM 0 HA ALA A 35 4.952 0.991 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.293 1.134 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.706 2.537 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.123 2.702 6.274 1.00 0.00 H new ATOM 513 N LEU A 36 6.575 -0.343 7.248 1.00 0.00 N ATOM 514 CA LEU A 36 7.659 -1.103 6.670 1.00 0.00 C ATOM 515 C LEU A 36 7.344 -1.442 5.225 1.00 0.00 C ATOM 516 O LEU A 36 6.255 -1.928 4.914 1.00 0.00 O ATOM 517 CB LEU A 36 7.892 -2.391 7.450 1.00 0.00 C ATOM 518 CG LEU A 36 9.043 -3.245 6.927 1.00 0.00 C ATOM 519 CD1 LEU A 36 10.319 -2.953 7.695 1.00 0.00 C ATOM 520 CD2 LEU A 36 8.687 -4.714 6.997 1.00 0.00 C ATOM 0 H LEU A 36 5.704 -0.862 7.357 1.00 0.00 H new ATOM 0 HA LEU A 36 8.562 -0.494 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.087 -2.140 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.978 -2.984 7.430 1.00 0.00 H new ATOM 0 HG LEU A 36 9.217 -2.990 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.127 -3.572 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.580 -1.901 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.167 -3.176 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.519 -5.308 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.483 -4.990 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.802 -4.903 6.390 1.00 0.00 H new ATOM 532 N PHE A 37 8.288 -1.183 4.342 1.00 0.00 N ATOM 533 CA PHE A 37 8.134 -1.557 2.948 1.00 0.00 C ATOM 534 C PHE A 37 8.811 -2.891 2.689 1.00 0.00 C ATOM 535 O PHE A 37 10.032 -3.001 2.770 1.00 0.00 O ATOM 536 CB PHE A 37 8.719 -0.480 2.034 1.00 0.00 C ATOM 537 CG PHE A 37 7.827 0.717 1.843 1.00 0.00 C ATOM 538 CD1 PHE A 37 6.624 0.832 2.527 1.00 0.00 C ATOM 539 CD2 PHE A 37 8.186 1.723 0.962 1.00 0.00 C ATOM 540 CE1 PHE A 37 5.805 1.926 2.336 1.00 0.00 C ATOM 541 CE2 PHE A 37 7.367 2.818 0.767 1.00 0.00 C ATOM 542 CZ PHE A 37 6.177 2.919 1.454 1.00 0.00 C ATOM 0 H PHE A 37 9.168 -0.716 4.563 1.00 0.00 H new ATOM 0 HA PHE A 37 7.070 -1.652 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.672 -0.147 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.930 -0.921 1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.326 0.056 3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.118 1.651 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.873 2.005 2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.659 3.595 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.536 3.775 1.302 1.00 0.00 H new ATOM 552 N ARG A 38 8.009 -3.907 2.403 1.00 0.00 N ATOM 553 CA ARG A 38 8.530 -5.238 2.145 1.00 0.00 C ATOM 554 C ARG A 38 8.978 -5.376 0.697 1.00 0.00 C ATOM 555 O ARG A 38 8.158 -5.471 -0.224 1.00 0.00 O ATOM 556 CB ARG A 38 7.476 -6.297 2.471 1.00 0.00 C ATOM 557 CG ARG A 38 7.267 -6.527 3.959 1.00 0.00 C ATOM 558 CD ARG A 38 8.453 -7.252 4.579 1.00 0.00 C ATOM 559 NE ARG A 38 8.696 -8.547 3.943 1.00 0.00 N ATOM 560 CZ ARG A 38 9.901 -9.109 3.820 1.00 0.00 C ATOM 561 NH1 ARG A 38 10.964 -8.541 4.374 1.00 0.00 N ATOM 562 NH2 ARG A 38 10.033 -10.261 3.177 1.00 0.00 N ATOM 0 H ARG A 38 6.993 -3.833 2.344 1.00 0.00 H new ATOM 0 HA ARG A 38 9.396 -5.391 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.528 -6.000 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.767 -7.239 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.121 -5.570 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.360 -7.110 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.345 -6.631 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.272 -7.399 5.644 1.00 0.00 H new ATOM 0 HE ARG A 38 7.893 -9.053 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.863 -7.671 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.882 -8.974 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.214 -10.718 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.954 -10.690 3.083 1.00 0.00 H new ATOM 576 N LEU A 39 10.287 -5.402 0.515 1.00 0.00 N ATOM 577 CA LEU A 39 10.890 -5.566 -0.802 1.00 0.00 C ATOM 578 C LEU A 39 10.928 -7.033 -1.205 1.00 0.00 C ATOM 579 O LEU A 39 10.919 -7.922 -0.351 1.00 0.00 O ATOM 580 CB LEU A 39 12.309 -4.985 -0.830 1.00 0.00 C ATOM 581 CG LEU A 39 12.407 -3.481 -1.091 1.00 0.00 C ATOM 582 CD1 LEU A 39 11.806 -2.680 0.052 1.00 0.00 C ATOM 583 CD2 LEU A 39 13.854 -3.076 -1.324 1.00 0.00 C ATOM 0 H LEU A 39 10.963 -5.310 1.273 1.00 0.00 H new ATOM 0 HA LEU A 39 10.272 -5.022 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.789 -5.201 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.880 -5.506 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 39 11.832 -3.259 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.892 -1.615 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.755 -2.943 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.340 -2.906 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.906 -2.003 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.447 -3.322 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.247 -3.612 -2.188 1.00 0.00 H new ATOM 595 N GLY A 40 10.940 -7.278 -2.509 1.00 0.00 N ATOM 596 CA GLY A 40 11.050 -8.633 -3.011 1.00 0.00 C ATOM 597 C GLY A 40 9.707 -9.288 -3.248 1.00 0.00 C ATOM 598 O GLY A 40 9.524 -10.463 -2.929 1.00 0.00 O ATOM 0 H GLY A 40 10.875 -6.559 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.613 -8.624 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.620 -9.232 -2.301 1.00 0.00 H new ATOM 602 N ASP A 41 8.767 -8.518 -3.799 1.00 0.00 N ATOM 603 CA ASP A 41 7.430 -9.022 -4.134 1.00 0.00 C ATOM 604 C ASP A 41 6.720 -9.575 -2.903 1.00 0.00 C ATOM 605 O ASP A 41 5.815 -10.400 -3.014 1.00 0.00 O ATOM 606 CB ASP A 41 7.501 -10.111 -5.210 1.00 0.00 C ATOM 607 CG ASP A 41 8.013 -9.606 -6.542 1.00 0.00 C ATOM 608 OD1 ASP A 41 7.211 -9.052 -7.323 1.00 0.00 O ATOM 609 OD2 ASP A 41 9.215 -9.784 -6.827 1.00 0.00 O ATOM 0 H ASP A 41 8.908 -7.533 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 41 6.860 -8.177 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.149 -10.915 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.508 -10.539 -5.349 1.00 0.00 H new ATOM 614 N ALA A 42 7.130 -9.112 -1.734 1.00 0.00 N ATOM 615 CA ALA A 42 6.560 -9.590 -0.487 1.00 0.00 C ATOM 616 C ALA A 42 5.312 -8.793 -0.138 1.00 0.00 C ATOM 617 O ALA A 42 4.418 -9.284 0.547 1.00 0.00 O ATOM 618 CB ALA A 42 7.590 -9.498 0.624 1.00 0.00 C ATOM 0 H ALA A 42 7.856 -8.405 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 42 6.273 -10.635 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.154 -9.859 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.456 -10.109 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.901 -8.461 0.747 1.00 0.00 H new ATOM 624 N SER A 43 5.268 -7.556 -0.607 1.00 0.00 N ATOM 625 CA SER A 43 4.100 -6.703 -0.437 1.00 0.00 C ATOM 626 C SER A 43 4.061 -5.667 -1.549 1.00 0.00 C ATOM 627 O SER A 43 3.017 -5.427 -2.159 1.00 0.00 O ATOM 628 CB SER A 43 4.118 -6.009 0.930 1.00 0.00 C ATOM 629 OG SER A 43 4.188 -6.957 1.981 1.00 0.00 O ATOM 0 H SER A 43 6.036 -7.116 -1.114 1.00 0.00 H new ATOM 0 HA SER A 43 3.206 -7.325 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.972 -5.334 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.221 -5.400 1.044 1.00 0.00 H new ATOM 0 HG SER A 43 4.128 -7.862 1.610 1.00 0.00 H new ATOM 635 N LEU A 44 5.212 -5.065 -1.817 1.00 0.00 N ATOM 636 CA LEU A 44 5.325 -4.078 -2.877 1.00 0.00 C ATOM 637 C LEU A 44 5.990 -4.694 -4.099 1.00 0.00 C ATOM 638 O LEU A 44 6.683 -5.710 -3.995 1.00 0.00 O ATOM 639 CB LEU A 44 6.129 -2.871 -2.397 1.00 0.00 C ATOM 640 CG LEU A 44 5.609 -2.198 -1.126 1.00 0.00 C ATOM 641 CD1 LEU A 44 6.417 -0.951 -0.828 1.00 0.00 C ATOM 642 CD2 LEU A 44 4.134 -1.860 -1.256 1.00 0.00 C ATOM 0 H LEU A 44 6.080 -5.245 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 44 4.323 -3.745 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.158 -3.187 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.152 -2.130 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 44 5.722 -2.896 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.038 -0.480 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.464 -1.221 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.331 -0.254 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.788 -1.382 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.989 -1.181 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.565 -2.774 -1.426 1.00 0.00 H new ATOM 654 N SER A 45 5.779 -4.070 -5.247 1.00 0.00 N ATOM 655 CA SER A 45 6.307 -4.573 -6.503 1.00 0.00 C ATOM 656 C SER A 45 7.747 -4.108 -6.710 1.00 0.00 C ATOM 657 O SER A 45 8.194 -3.145 -6.080 1.00 0.00 O ATOM 658 CB SER A 45 5.420 -4.109 -7.661 1.00 0.00 C ATOM 659 OG SER A 45 4.089 -4.567 -7.488 1.00 0.00 O ATOM 0 H SER A 45 5.241 -3.208 -5.334 1.00 0.00 H new ATOM 0 HA SER A 45 6.307 -5.663 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.431 -3.021 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.819 -4.483 -8.604 1.00 0.00 H new ATOM 0 HG SER A 45 3.537 -4.259 -8.237 1.00 0.00 H new ATOM 665 N GLU A 46 8.455 -4.792 -7.607 1.00 0.00 N ATOM 666 CA GLU A 46 9.865 -4.512 -7.879 1.00 0.00 C ATOM 667 C GLU A 46 10.080 -3.065 -8.310 1.00 0.00 C ATOM 668 O GLU A 46 11.149 -2.501 -8.090 1.00 0.00 O ATOM 669 CB GLU A 46 10.392 -5.439 -8.975 1.00 0.00 C ATOM 670 CG GLU A 46 10.317 -6.916 -8.630 1.00 0.00 C ATOM 671 CD GLU A 46 10.800 -7.798 -9.762 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.988 -8.136 -10.650 1.00 0.00 O ATOM 673 OE2 GLU A 46 11.995 -8.163 -9.772 1.00 0.00 O ATOM 0 H GLU A 46 8.069 -5.554 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 46 10.410 -4.684 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.825 -5.262 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.429 -5.179 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.917 -7.110 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.288 -7.177 -8.383 1.00 0.00 H new ATOM 680 N GLY A 47 9.053 -2.463 -8.896 1.00 0.00 N ATOM 681 CA GLY A 47 9.176 -1.119 -9.426 1.00 0.00 C ATOM 682 C GLY A 47 9.576 -0.111 -8.367 1.00 0.00 C ATOM 683 O GLY A 47 10.353 0.805 -8.636 1.00 0.00 O ATOM 0 H GLY A 47 8.132 -2.885 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.917 -1.114 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.226 -0.818 -9.869 1.00 0.00 H new ATOM 687 N LEU A 48 9.065 -0.288 -7.153 1.00 0.00 N ATOM 688 CA LEU A 48 9.363 0.627 -6.062 1.00 0.00 C ATOM 689 C LEU A 48 10.757 0.373 -5.526 1.00 0.00 C ATOM 690 O LEU A 48 11.494 1.294 -5.175 1.00 0.00 O ATOM 691 CB LEU A 48 8.352 0.463 -4.943 1.00 0.00 C ATOM 692 CG LEU A 48 8.531 1.433 -3.785 1.00 0.00 C ATOM 693 CD1 LEU A 48 7.206 2.067 -3.441 1.00 0.00 C ATOM 694 CD2 LEU A 48 9.122 0.722 -2.580 1.00 0.00 C ATOM 0 H LEU A 48 8.443 -1.057 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 48 9.308 1.645 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.350 0.588 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.414 -0.556 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 48 9.226 2.218 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.339 2.761 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.825 2.607 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.495 1.292 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.243 1.432 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.455 -0.081 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.094 0.304 -2.844 1.00 0.00 H new ATOM 706 N GLU A 49 11.109 -0.897 -5.512 1.00 0.00 N ATOM 707 CA GLU A 49 12.377 -1.349 -4.965 1.00 0.00 C ATOM 708 C GLU A 49 13.502 -0.824 -5.838 1.00 0.00 C ATOM 709 O GLU A 49 14.479 -0.246 -5.366 1.00 0.00 O ATOM 710 CB GLU A 49 12.388 -2.883 -4.941 1.00 0.00 C ATOM 711 CG GLU A 49 13.774 -3.501 -5.002 1.00 0.00 C ATOM 712 CD GLU A 49 13.731 -5.013 -5.084 1.00 0.00 C ATOM 713 OE1 GLU A 49 13.549 -5.668 -4.036 1.00 0.00 O ATOM 714 OE2 GLU A 49 13.891 -5.558 -6.196 1.00 0.00 O ATOM 0 H GLU A 49 10.524 -1.648 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 49 12.512 -0.977 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.891 -3.224 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.802 -3.252 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.306 -3.108 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.340 -3.204 -4.119 1.00 0.00 H new ATOM 721 N GLN A 50 13.292 -0.997 -7.124 1.00 0.00 N ATOM 722 CA GLN A 50 14.272 -0.646 -8.128 1.00 0.00 C ATOM 723 C GLN A 50 14.581 0.851 -8.142 1.00 0.00 C ATOM 724 O GLN A 50 15.586 1.267 -8.718 1.00 0.00 O ATOM 725 CB GLN A 50 13.818 -1.125 -9.500 1.00 0.00 C ATOM 726 CG GLN A 50 13.808 -2.641 -9.632 1.00 0.00 C ATOM 727 CD GLN A 50 15.167 -3.261 -9.365 1.00 0.00 C ATOM 728 OE1 GLN A 50 16.207 -2.647 -9.615 1.00 0.00 O ATOM 729 NE2 GLN A 50 15.172 -4.479 -8.850 1.00 0.00 N ATOM 0 H GLN A 50 12.430 -1.388 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 50 15.201 -1.153 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.817 -0.743 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.476 -0.705 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.080 -3.057 -8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.480 -2.912 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.291 -4.955 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.057 -4.943 -8.646 1.00 0.00 H new ATOM 738 N HIS A 51 13.729 1.673 -7.524 1.00 0.00 N ATOM 739 CA HIS A 51 14.019 3.102 -7.436 1.00 0.00 C ATOM 740 C HIS A 51 14.468 3.500 -6.034 1.00 0.00 C ATOM 741 O HIS A 51 14.828 4.654 -5.790 1.00 0.00 O ATOM 742 CB HIS A 51 12.800 3.927 -7.859 1.00 0.00 C ATOM 743 CG HIS A 51 12.506 3.834 -9.324 1.00 0.00 C ATOM 744 ND1 HIS A 51 12.312 4.937 -10.130 1.00 0.00 N ATOM 745 CD2 HIS A 51 12.374 2.755 -10.131 1.00 0.00 C ATOM 746 CE1 HIS A 51 12.072 4.539 -11.366 1.00 0.00 C ATOM 747 NE2 HIS A 51 12.104 3.220 -11.392 1.00 0.00 N ATOM 0 H HIS A 51 12.854 1.381 -7.088 1.00 0.00 H new ATOM 0 HA HIS A 51 14.841 3.312 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.928 3.590 -7.298 1.00 0.00 H new ATOM 0 HB3 HIS A 51 12.966 4.971 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.465 1.720 -9.836 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.882 5.183 -12.212 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.952 2.640 -12.217 1.00 0.00 H new ATOM 756 N LEU A 52 14.459 2.544 -5.118 1.00 0.00 N ATOM 757 CA LEU A 52 14.836 2.814 -3.738 1.00 0.00 C ATOM 758 C LEU A 52 16.267 2.382 -3.446 1.00 0.00 C ATOM 759 O LEU A 52 16.896 2.908 -2.528 1.00 0.00 O ATOM 760 CB LEU A 52 13.873 2.117 -2.775 1.00 0.00 C ATOM 761 CG LEU A 52 12.800 3.016 -2.159 1.00 0.00 C ATOM 762 CD1 LEU A 52 11.907 2.202 -1.242 1.00 0.00 C ATOM 763 CD2 LEU A 52 13.435 4.167 -1.390 1.00 0.00 C ATOM 0 H LEU A 52 14.196 1.576 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 52 14.776 3.892 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.380 1.303 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.453 1.667 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 52 12.197 3.436 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.145 2.849 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.426 1.408 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.507 1.763 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.653 4.793 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.061 3.769 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.046 4.763 -2.067 1.00 0.00 H new ATOM 775 N LEU A 53 16.781 1.438 -4.232 1.00 0.00 N ATOM 776 CA LEU A 53 18.115 0.895 -4.019 1.00 0.00 C ATOM 777 C LEU A 53 19.200 1.971 -4.104 1.00 0.00 C ATOM 778 O LEU A 53 19.041 2.988 -4.779 1.00 0.00 O ATOM 779 CB LEU A 53 18.399 -0.194 -5.058 1.00 0.00 C ATOM 780 CG LEU A 53 17.702 -1.546 -4.862 1.00 0.00 C ATOM 781 CD1 LEU A 53 16.746 -1.553 -3.681 1.00 0.00 C ATOM 782 CD2 LEU A 53 16.979 -1.941 -6.132 1.00 0.00 C ATOM 0 H LEU A 53 16.287 1.033 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 53 18.140 0.478 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.118 0.192 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.475 -0.368 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 53 18.477 -2.278 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.283 -2.536 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.295 -1.328 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 53 15.973 -0.800 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.486 -2.902 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.234 -1.184 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.696 -2.021 -6.949 1.00 0.00 H new ATOM 794 N GLY A 54 20.297 1.729 -3.393 1.00 0.00 N ATOM 795 CA GLY A 54 21.448 2.612 -3.439 1.00 0.00 C ATOM 796 C GLY A 54 21.457 3.655 -2.336 1.00 0.00 C ATOM 797 O GLY A 54 22.498 4.257 -2.058 1.00 0.00 O ATOM 0 H GLY A 54 20.409 0.924 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.357 2.014 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.470 3.116 -4.405 1.00 0.00 H new ATOM 801 N LEU A 55 20.311 3.878 -1.706 1.00 0.00 N ATOM 802 CA LEU A 55 20.235 4.823 -0.602 1.00 0.00 C ATOM 803 C LEU A 55 20.631 4.156 0.719 1.00 0.00 C ATOM 804 O LEU A 55 20.597 2.929 0.849 1.00 0.00 O ATOM 805 CB LEU A 55 18.830 5.417 -0.505 1.00 0.00 C ATOM 806 CG LEU A 55 18.733 6.712 0.304 1.00 0.00 C ATOM 807 CD1 LEU A 55 19.559 7.813 -0.344 1.00 0.00 C ATOM 808 CD2 LEU A 55 17.289 7.146 0.438 1.00 0.00 C ATOM 0 H LEU A 55 19.429 3.421 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 55 20.941 5.631 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 55 18.461 5.607 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 18.168 4.676 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 55 19.133 6.523 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.476 8.725 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 55 20.603 7.504 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 55 19.190 7.999 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 55 17.239 8.069 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.866 7.315 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.721 6.367 0.947 1.00 0.00 H new ATOM 820 N LYS A 56 21.017 4.968 1.692 1.00 0.00 N ATOM 821 CA LYS A 56 21.494 4.471 2.970 1.00 0.00 C ATOM 822 C LYS A 56 20.599 4.995 4.096 1.00 0.00 C ATOM 823 O LYS A 56 19.836 5.939 3.898 1.00 0.00 O ATOM 824 CB LYS A 56 22.954 4.918 3.149 1.00 0.00 C ATOM 825 CG LYS A 56 23.785 4.050 4.079 1.00 0.00 C ATOM 826 CD LYS A 56 23.750 4.560 5.505 1.00 0.00 C ATOM 827 CE LYS A 56 24.648 3.733 6.407 1.00 0.00 C ATOM 828 NZ LYS A 56 24.747 4.301 7.777 1.00 0.00 N ATOM 0 H LYS A 56 21.008 5.985 1.617 1.00 0.00 H new ATOM 0 HA LYS A 56 21.453 3.382 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 56 23.434 4.938 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.961 5.940 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.413 3.026 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.816 4.024 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.067 5.603 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.727 4.530 5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.263 2.715 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.644 3.673 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.370 3.703 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.139 5.263 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.801 4.335 8.208 1.00 0.00 H new ATOM 842 N VAL A 57 20.682 4.364 5.262 1.00 0.00 N ATOM 843 CA VAL A 57 19.928 4.787 6.439 1.00 0.00 C ATOM 844 C VAL A 57 20.246 6.237 6.810 1.00 0.00 C ATOM 845 O VAL A 57 21.370 6.705 6.625 1.00 0.00 O ATOM 846 CB VAL A 57 20.240 3.862 7.645 1.00 0.00 C ATOM 847 CG1 VAL A 57 19.732 4.437 8.958 1.00 0.00 C ATOM 848 CG2 VAL A 57 19.644 2.493 7.434 1.00 0.00 C ATOM 0 H VAL A 57 21.272 3.547 5.419 1.00 0.00 H new ATOM 0 HA VAL A 57 18.868 4.716 6.194 1.00 0.00 H new ATOM 0 HB VAL A 57 21.325 3.785 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.974 3.754 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.206 5.401 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.651 4.568 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.874 1.860 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.563 2.579 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.064 2.049 6.531 1.00 0.00 H new ATOM 858 N GLY A 58 19.248 6.929 7.354 1.00 0.00 N ATOM 859 CA GLY A 58 19.406 8.328 7.705 1.00 0.00 C ATOM 860 C GLY A 58 19.256 9.269 6.527 1.00 0.00 C ATOM 861 O GLY A 58 19.523 10.466 6.648 1.00 0.00 O ATOM 0 H GLY A 58 18.327 6.541 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.669 8.589 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.389 8.473 8.152 1.00 0.00 H new ATOM 865 N ASP A 59 18.817 8.747 5.390 1.00 0.00 N ATOM 866 CA ASP A 59 18.607 9.577 4.214 1.00 0.00 C ATOM 867 C ASP A 59 17.171 9.492 3.745 1.00 0.00 C ATOM 868 O ASP A 59 16.436 8.581 4.118 1.00 0.00 O ATOM 869 CB ASP A 59 19.545 9.190 3.069 1.00 0.00 C ATOM 870 CG ASP A 59 20.898 9.863 3.174 1.00 0.00 C ATOM 871 OD1 ASP A 59 21.024 11.021 2.725 1.00 0.00 O ATOM 872 OD2 ASP A 59 21.847 9.240 3.692 1.00 0.00 O ATOM 0 H ASP A 59 18.601 7.759 5.258 1.00 0.00 H new ATOM 0 HA ASP A 59 18.831 10.603 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.680 8.108 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.083 9.457 2.119 1.00 0.00 H new ATOM 877 N LYS A 60 16.781 10.451 2.932 1.00 0.00 N ATOM 878 CA LYS A 60 15.444 10.502 2.381 1.00 0.00 C ATOM 879 C LYS A 60 15.528 10.825 0.902 1.00 0.00 C ATOM 880 O LYS A 60 16.425 11.551 0.473 1.00 0.00 O ATOM 881 CB LYS A 60 14.615 11.554 3.120 1.00 0.00 C ATOM 882 CG LYS A 60 15.241 12.940 3.117 1.00 0.00 C ATOM 883 CD LYS A 60 15.414 13.479 4.531 1.00 0.00 C ATOM 884 CE LYS A 60 14.074 13.695 5.222 1.00 0.00 C ATOM 885 NZ LYS A 60 14.238 14.082 6.649 1.00 0.00 N ATOM 0 H LYS A 60 17.383 11.218 2.634 1.00 0.00 H new ATOM 0 HA LYS A 60 14.956 9.536 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.627 11.611 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.472 11.232 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.211 12.901 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.615 13.622 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.016 12.782 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.961 14.421 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.517 14.471 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.483 12.781 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.302 14.219 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.747 13.330 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.780 14.968 6.708 1.00 0.00 H new ATOM 899 N THR A 61 14.621 10.278 0.118 1.00 0.00 N ATOM 900 CA THR A 61 14.635 10.501 -1.308 1.00 0.00 C ATOM 901 C THR A 61 13.213 10.615 -1.823 1.00 0.00 C ATOM 902 O THR A 61 12.300 9.952 -1.326 1.00 0.00 O ATOM 903 CB THR A 61 15.392 9.378 -2.059 1.00 0.00 C ATOM 904 OG1 THR A 61 15.496 9.690 -3.458 1.00 0.00 O ATOM 905 CG2 THR A 61 14.699 8.033 -1.890 1.00 0.00 C ATOM 0 H THR A 61 13.866 9.676 0.447 1.00 0.00 H new ATOM 0 HA THR A 61 15.166 11.434 -1.497 1.00 0.00 H new ATOM 0 HB THR A 61 16.390 9.311 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.978 8.972 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.256 7.267 -2.429 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.658 7.775 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.686 8.093 -2.288 1.00 0.00 H new ATOM 913 N THR A 62 13.025 11.484 -2.786 1.00 0.00 N ATOM 914 CA THR A 62 11.741 11.645 -3.417 1.00 0.00 C ATOM 915 C THR A 62 11.814 11.092 -4.826 1.00 0.00 C ATOM 916 O THR A 62 12.809 11.306 -5.518 1.00 0.00 O ATOM 917 CB THR A 62 11.350 13.125 -3.471 1.00 0.00 C ATOM 918 OG1 THR A 62 11.693 13.765 -2.233 1.00 0.00 O ATOM 919 CG2 THR A 62 9.862 13.271 -3.726 1.00 0.00 C ATOM 0 H THR A 62 13.754 12.096 -3.152 1.00 0.00 H new ATOM 0 HA THR A 62 10.989 11.108 -2.839 1.00 0.00 H new ATOM 0 HB THR A 62 11.895 13.599 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.874 14.001 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.601 14.329 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.608 12.803 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.306 12.787 -2.923 1.00 0.00 H new ATOM 927 N PHE A 63 10.786 10.385 -5.260 1.00 0.00 N ATOM 928 CA PHE A 63 10.798 9.816 -6.598 1.00 0.00 C ATOM 929 C PHE A 63 9.389 9.519 -7.088 1.00 0.00 C ATOM 930 O PHE A 63 8.450 9.399 -6.299 1.00 0.00 O ATOM 931 CB PHE A 63 11.689 8.559 -6.668 1.00 0.00 C ATOM 932 CG PHE A 63 11.381 7.481 -5.661 1.00 0.00 C ATOM 933 CD1 PHE A 63 11.889 7.545 -4.372 1.00 0.00 C ATOM 934 CD2 PHE A 63 10.611 6.386 -6.013 1.00 0.00 C ATOM 935 CE1 PHE A 63 11.629 6.545 -3.459 1.00 0.00 C ATOM 936 CE2 PHE A 63 10.355 5.382 -5.102 1.00 0.00 C ATOM 937 CZ PHE A 63 10.862 5.461 -3.827 1.00 0.00 C ATOM 0 H PHE A 63 9.944 10.192 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 63 11.229 10.563 -7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 63 11.604 8.132 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.727 8.865 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.496 8.389 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.206 6.317 -7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.026 6.611 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.755 4.532 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.660 4.675 -3.115 1.00 0.00 H new ATOM 947 N SER A 64 9.258 9.422 -8.401 1.00 0.00 N ATOM 948 CA SER A 64 7.974 9.159 -9.027 1.00 0.00 C ATOM 949 C SER A 64 7.920 7.713 -9.500 1.00 0.00 C ATOM 950 O SER A 64 8.959 7.086 -9.714 1.00 0.00 O ATOM 951 CB SER A 64 7.737 10.121 -10.196 1.00 0.00 C ATOM 952 OG SER A 64 6.435 9.965 -10.734 1.00 0.00 O ATOM 0 H SER A 64 10.032 9.522 -9.058 1.00 0.00 H new ATOM 0 HA SER A 64 7.183 9.320 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.873 11.148 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.479 9.941 -10.974 1.00 0.00 H new ATOM 0 HG SER A 64 6.311 10.592 -11.477 1.00 0.00 H new ATOM 958 N LEU A 65 6.713 7.205 -9.698 1.00 0.00 N ATOM 959 CA LEU A 65 6.521 5.791 -9.982 1.00 0.00 C ATOM 960 C LEU A 65 5.166 5.551 -10.610 1.00 0.00 C ATOM 961 O LEU A 65 4.219 6.309 -10.379 1.00 0.00 O ATOM 962 CB LEU A 65 6.707 4.924 -8.737 1.00 0.00 C ATOM 963 CG LEU A 65 8.162 4.566 -8.421 1.00 0.00 C ATOM 964 CD1 LEU A 65 8.260 3.793 -7.128 1.00 0.00 C ATOM 965 CD2 LEU A 65 8.775 3.761 -9.555 1.00 0.00 C ATOM 0 H LEU A 65 5.852 7.751 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 65 7.291 5.496 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.281 5.446 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.139 4.002 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 65 8.717 5.497 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.304 3.551 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.864 4.397 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.683 2.872 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.809 3.517 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.208 2.841 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.748 4.347 -10.473 1.00 0.00 H new ATOM 977 N GLU A 66 5.084 4.511 -11.420 1.00 0.00 N ATOM 978 CA GLU A 66 3.820 4.096 -11.996 1.00 0.00 C ATOM 979 C GLU A 66 2.933 3.514 -10.902 1.00 0.00 C ATOM 980 O GLU A 66 3.445 3.012 -9.908 1.00 0.00 O ATOM 981 CB GLU A 66 4.053 3.060 -13.099 1.00 0.00 C ATOM 982 CG GLU A 66 4.971 3.550 -14.205 1.00 0.00 C ATOM 983 CD GLU A 66 5.133 2.541 -15.320 1.00 0.00 C ATOM 984 OE1 GLU A 66 5.653 1.435 -15.064 1.00 0.00 O ATOM 985 OE2 GLU A 66 4.759 2.856 -16.467 1.00 0.00 O ATOM 0 H GLU A 66 5.882 3.937 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 66 3.325 4.961 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.479 2.159 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.093 2.780 -13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.575 4.479 -14.616 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.950 3.780 -13.784 1.00 0.00 H new ATOM 992 N PRO A 67 1.603 3.588 -11.065 1.00 0.00 N ATOM 993 CA PRO A 67 0.633 3.130 -10.062 1.00 0.00 C ATOM 994 C PRO A 67 1.000 1.793 -9.410 1.00 0.00 C ATOM 995 O PRO A 67 1.002 1.672 -8.182 1.00 0.00 O ATOM 996 CB PRO A 67 -0.672 2.991 -10.857 1.00 0.00 C ATOM 997 CG PRO A 67 -0.364 3.392 -12.268 1.00 0.00 C ATOM 998 CD PRO A 67 0.928 4.149 -12.235 1.00 0.00 C ATOM 0 HA PRO A 67 0.580 3.830 -9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.041 1.966 -10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.451 3.627 -10.436 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.281 2.514 -12.909 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.163 4.010 -12.677 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.507 4.000 -13.146 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.766 5.222 -12.132 1.00 0.00 H new ATOM 1006 N ASP A 68 1.318 0.806 -10.243 1.00 0.00 N ATOM 1007 CA ASP A 68 1.697 -0.536 -9.785 1.00 0.00 C ATOM 1008 C ASP A 68 2.892 -0.494 -8.833 1.00 0.00 C ATOM 1009 O ASP A 68 3.008 -1.315 -7.923 1.00 0.00 O ATOM 1010 CB ASP A 68 2.057 -1.422 -10.985 1.00 0.00 C ATOM 1011 CG ASP A 68 0.866 -1.800 -11.845 1.00 0.00 C ATOM 1012 OD1 ASP A 68 0.022 -0.926 -12.127 1.00 0.00 O ATOM 1013 OD2 ASP A 68 0.783 -2.976 -12.266 1.00 0.00 O ATOM 0 H ASP A 68 1.321 0.910 -11.258 1.00 0.00 H new ATOM 0 HA ASP A 68 0.840 -0.948 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.789 -0.901 -11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.535 -2.332 -10.623 1.00 0.00 H new ATOM 1018 N ALA A 69 3.764 0.479 -9.036 1.00 0.00 N ATOM 1019 CA ALA A 69 4.995 0.593 -8.272 1.00 0.00 C ATOM 1020 C ALA A 69 4.838 1.599 -7.139 1.00 0.00 C ATOM 1021 O ALA A 69 5.816 2.041 -6.547 1.00 0.00 O ATOM 1022 CB ALA A 69 6.140 0.992 -9.186 1.00 0.00 C ATOM 0 H ALA A 69 3.639 1.212 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 69 5.220 -0.378 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.058 1.075 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.268 0.236 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.917 1.952 -9.651 1.00 0.00 H new ATOM 1028 N ALA A 70 3.597 1.924 -6.815 1.00 0.00 N ATOM 1029 CA ALA A 70 3.298 2.974 -5.856 1.00 0.00 C ATOM 1030 C ALA A 70 2.280 2.457 -4.863 1.00 0.00 C ATOM 1031 O ALA A 70 2.631 1.960 -3.794 1.00 0.00 O ATOM 1032 CB ALA A 70 2.780 4.221 -6.559 1.00 0.00 C ATOM 0 H ALA A 70 2.772 1.470 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 70 4.211 3.251 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.564 4.992 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.535 4.587 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.870 3.978 -7.107 1.00 0.00 H new ATOM 1095 N SER A 75 -7.060 -4.351 -5.847 1.00 0.00 N ATOM 1096 CA SER A 75 -7.075 -5.744 -5.455 1.00 0.00 C ATOM 1097 C SER A 75 -8.489 -6.254 -5.213 1.00 0.00 C ATOM 1098 O SER A 75 -9.086 -5.987 -4.174 1.00 0.00 O ATOM 1099 CB SER A 75 -6.221 -5.921 -4.201 1.00 0.00 C ATOM 1100 OG SER A 75 -4.881 -5.532 -4.440 1.00 0.00 O ATOM 0 HA SER A 75 -6.661 -6.334 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.636 -5.327 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.249 -6.963 -3.882 1.00 0.00 H new ATOM 0 HG SER A 75 -4.859 -4.847 -5.141 1.00 0.00 H new ATOM 1106 N PRO A 76 -9.039 -7.005 -6.175 1.00 0.00 N ATOM 1107 CA PRO A 76 -10.345 -7.646 -6.027 1.00 0.00 C ATOM 1108 C PRO A 76 -10.325 -8.750 -4.974 1.00 0.00 C ATOM 1109 O PRO A 76 -11.365 -9.242 -4.550 1.00 0.00 O ATOM 1110 CB PRO A 76 -10.633 -8.227 -7.409 1.00 0.00 C ATOM 1111 CG PRO A 76 -9.300 -8.373 -8.055 1.00 0.00 C ATOM 1112 CD PRO A 76 -8.437 -7.279 -7.494 1.00 0.00 C ATOM 0 HA PRO A 76 -11.105 -6.941 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.142 -9.188 -7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.281 -7.567 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.871 -9.353 -7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.382 -8.287 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.398 -7.595 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -8.446 -6.394 -8.131 1.00 0.00 H new ATOM 1120 N ASP A 77 -9.129 -9.161 -4.580 1.00 0.00 N ATOM 1121 CA ASP A 77 -8.973 -10.228 -3.598 1.00 0.00 C ATOM 1122 C ASP A 77 -9.544 -9.831 -2.237 1.00 0.00 C ATOM 1123 O ASP A 77 -9.848 -10.691 -1.414 1.00 0.00 O ATOM 1124 CB ASP A 77 -7.500 -10.605 -3.453 1.00 0.00 C ATOM 1125 CG ASP A 77 -7.304 -11.869 -2.641 1.00 0.00 C ATOM 1126 OD1 ASP A 77 -7.609 -12.964 -3.160 1.00 0.00 O ATOM 1127 OD2 ASP A 77 -6.850 -11.777 -1.482 1.00 0.00 O ATOM 0 H ASP A 77 -8.251 -8.773 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.533 -11.090 -3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.064 -10.741 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.963 -9.784 -2.978 1.00 0.00 H new ATOM 1132 N LEU A 78 -9.712 -8.533 -2.003 1.00 0.00 N ATOM 1133 CA LEU A 78 -10.245 -8.068 -0.723 1.00 0.00 C ATOM 1134 C LEU A 78 -11.756 -8.005 -0.762 1.00 0.00 C ATOM 1135 O LEU A 78 -12.384 -7.633 0.226 1.00 0.00 O ATOM 1136 CB LEU A 78 -9.734 -6.677 -0.335 1.00 0.00 C ATOM 1137 CG LEU A 78 -8.251 -6.536 -0.024 1.00 0.00 C ATOM 1138 CD1 LEU A 78 -7.838 -7.525 1.048 1.00 0.00 C ATOM 1139 CD2 LEU A 78 -7.434 -6.691 -1.282 1.00 0.00 C ATOM 0 H LEU A 78 -9.491 -7.793 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.901 -8.790 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.974 -5.991 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.294 -6.344 0.539 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.062 -5.536 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.775 -7.411 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.410 -7.337 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.032 -8.540 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.375 -6.588 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.614 -7.675 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.721 -5.922 -1.999 1.00 0.00 H new ATOM 1151 N ILE A 79 -12.343 -8.340 -1.899 1.00 0.00 N ATOM 1152 CA ILE A 79 -13.781 -8.276 -2.048 1.00 0.00 C ATOM 1153 C ILE A 79 -14.476 -9.278 -1.141 1.00 0.00 C ATOM 1154 O ILE A 79 -14.155 -10.470 -1.118 1.00 0.00 O ATOM 1155 CB ILE A 79 -14.186 -8.498 -3.519 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -13.635 -7.347 -4.366 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -15.701 -8.621 -3.667 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -14.134 -7.331 -5.787 1.00 0.00 C ATOM 0 H ILE A 79 -11.844 -8.658 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 79 -14.103 -7.279 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.760 -9.438 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.898 -6.402 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.547 -7.407 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -15.953 -8.777 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.057 -9.467 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.177 -7.707 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -13.696 -6.485 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -13.848 -8.258 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -15.220 -7.238 -5.790 1.00 0.00 H new ATOM 1170 N GLN A 80 -15.430 -8.758 -0.394 1.00 0.00 N ATOM 1171 CA GLN A 80 -16.138 -9.508 0.627 1.00 0.00 C ATOM 1172 C GLN A 80 -17.621 -9.204 0.515 1.00 0.00 C ATOM 1173 O GLN A 80 -17.996 -8.056 0.285 1.00 0.00 O ATOM 1174 CB GLN A 80 -15.617 -9.115 2.012 1.00 0.00 C ATOM 1175 CG GLN A 80 -14.118 -9.320 2.170 1.00 0.00 C ATOM 1176 CD GLN A 80 -13.529 -8.550 3.338 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -14.188 -8.332 4.355 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -12.285 -8.114 3.189 1.00 0.00 N ATOM 0 H GLN A 80 -15.740 -7.790 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 80 -15.975 -10.577 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -15.855 -8.068 2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -16.139 -9.701 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.915 -10.383 2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.617 -9.014 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.773 -8.316 2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.840 -7.577 3.933 1.00 0.00 H new ATOM 1187 N TYR A 81 -18.470 -10.205 0.656 1.00 0.00 N ATOM 1188 CA TYR A 81 -19.896 -9.961 0.537 1.00 0.00 C ATOM 1189 C TYR A 81 -20.558 -10.033 1.902 1.00 0.00 C ATOM 1190 O TYR A 81 -20.657 -11.104 2.502 1.00 0.00 O ATOM 1191 CB TYR A 81 -20.538 -10.989 -0.399 1.00 0.00 C ATOM 1192 CG TYR A 81 -20.046 -10.928 -1.831 1.00 0.00 C ATOM 1193 CD1 TYR A 81 -18.838 -11.507 -2.202 1.00 0.00 C ATOM 1194 CD2 TYR A 81 -20.797 -10.302 -2.814 1.00 0.00 C ATOM 1195 CE1 TYR A 81 -18.394 -11.460 -3.511 1.00 0.00 C ATOM 1196 CE2 TYR A 81 -20.361 -10.251 -4.123 1.00 0.00 C ATOM 1197 CZ TYR A 81 -19.160 -10.830 -4.468 1.00 0.00 C ATOM 1198 OH TYR A 81 -18.723 -10.777 -5.776 1.00 0.00 O ATOM 0 H TYR A 81 -18.207 -11.172 0.848 1.00 0.00 H new ATOM 0 HA TYR A 81 -20.039 -8.964 0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -20.349 -11.988 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.618 -10.843 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -18.236 -12.002 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.740 -9.846 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -17.452 -11.914 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -20.960 -9.758 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 81 -19.381 -10.298 -6.322 1.00 0.00 H new ATOM 1208 N PHE A 82 -21.000 -8.887 2.390 1.00 0.00 N ATOM 1209 CA PHE A 82 -21.795 -8.826 3.608 1.00 0.00 C ATOM 1210 C PHE A 82 -23.259 -8.568 3.282 1.00 0.00 C ATOM 1211 O PHE A 82 -23.600 -8.242 2.149 1.00 0.00 O ATOM 1212 CB PHE A 82 -21.252 -7.729 4.524 1.00 0.00 C ATOM 1213 CG PHE A 82 -19.905 -8.046 5.117 1.00 0.00 C ATOM 1214 CD1 PHE A 82 -18.750 -7.960 4.352 1.00 0.00 C ATOM 1215 CD2 PHE A 82 -19.796 -8.433 6.443 1.00 0.00 C ATOM 1216 CE1 PHE A 82 -17.517 -8.252 4.900 1.00 0.00 C ATOM 1217 CE2 PHE A 82 -18.564 -8.725 6.996 1.00 0.00 C ATOM 1218 CZ PHE A 82 -17.423 -8.634 6.223 1.00 0.00 C ATOM 0 H PHE A 82 -20.821 -7.980 1.959 1.00 0.00 H new ATOM 0 HA PHE A 82 -21.726 -9.785 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -21.181 -6.799 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -21.963 -7.558 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.817 -7.661 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -20.685 -8.507 7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.626 -8.182 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.493 -9.024 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.459 -8.861 6.653 1.00 0.00 H new ATOM 1228 N SER A 83 -24.119 -8.722 4.274 1.00 0.00 N ATOM 1229 CA SER A 83 -25.550 -8.569 4.068 1.00 0.00 C ATOM 1230 C SER A 83 -25.978 -7.114 4.228 1.00 0.00 C ATOM 1231 O SER A 83 -25.312 -6.320 4.890 1.00 0.00 O ATOM 1232 CB SER A 83 -26.326 -9.444 5.057 1.00 0.00 C ATOM 1233 OG SER A 83 -27.717 -9.425 4.777 1.00 0.00 O ATOM 0 H SER A 83 -23.852 -8.953 5.231 1.00 0.00 H new ATOM 0 HA SER A 83 -25.775 -8.886 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 83 -25.956 -10.468 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 83 -26.152 -9.091 6.073 1.00 0.00 H new ATOM 0 HG SER A 83 -27.857 -9.501 3.810 1.00 0.00 H new ATOM 1239 N ARG A 84 -27.120 -6.792 3.634 1.00 0.00 N ATOM 1240 CA ARG A 84 -27.730 -5.468 3.751 1.00 0.00 C ATOM 1241 C ARG A 84 -28.075 -5.184 5.211 1.00 0.00 C ATOM 1242 O ARG A 84 -28.006 -4.054 5.686 1.00 0.00 O ATOM 1243 CB ARG A 84 -28.995 -5.422 2.884 1.00 0.00 C ATOM 1244 CG ARG A 84 -29.844 -6.683 3.011 1.00 0.00 C ATOM 1245 CD ARG A 84 -31.118 -6.611 2.193 1.00 0.00 C ATOM 1246 NE ARG A 84 -32.000 -5.544 2.659 1.00 0.00 N ATOM 1247 CZ ARG A 84 -32.987 -5.015 1.932 1.00 0.00 C ATOM 1248 NH1 ARG A 84 -33.259 -5.492 0.723 1.00 0.00 N ATOM 1249 NH2 ARG A 84 -33.717 -4.025 2.423 1.00 0.00 N ATOM 0 H ARG A 84 -27.653 -7.441 3.055 1.00 0.00 H new ATOM 0 HA ARG A 84 -27.030 -4.706 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -29.593 -4.556 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -28.710 -5.284 1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -29.259 -7.545 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -30.098 -6.842 4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -30.869 -6.445 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -31.641 -7.566 2.249 1.00 0.00 H new ATOM 0 HE ARG A 84 -31.852 -5.180 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -32.713 -6.266 0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -34.014 -5.084 0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -33.526 -3.665 3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -34.471 -3.622 1.866 1.00 0.00 H new ATOM 1263 N ARG A 85 -28.459 -6.250 5.888 1.00 0.00 N ATOM 1264 CA ARG A 85 -28.756 -6.219 7.322 1.00 0.00 C ATOM 1265 C ARG A 85 -27.588 -5.656 8.131 1.00 0.00 C ATOM 1266 O ARG A 85 -27.787 -5.067 9.191 1.00 0.00 O ATOM 1267 CB ARG A 85 -29.119 -7.610 7.840 1.00 0.00 C ATOM 1268 CG ARG A 85 -30.529 -8.041 7.490 1.00 0.00 C ATOM 1269 CD ARG A 85 -30.593 -8.758 6.155 1.00 0.00 C ATOM 1270 NE ARG A 85 -31.964 -8.916 5.678 1.00 0.00 N ATOM 1271 CZ ARG A 85 -32.294 -9.608 4.591 1.00 0.00 C ATOM 1272 NH1 ARG A 85 -31.362 -10.277 3.925 1.00 0.00 N ATOM 1273 NH2 ARG A 85 -33.557 -9.645 4.184 1.00 0.00 N ATOM 0 H ARG A 85 -28.577 -7.170 5.463 1.00 0.00 H new ATOM 0 HA ARG A 85 -29.613 -5.558 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -28.415 -8.335 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -29.002 -7.627 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -30.911 -8.697 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -31.178 -7.166 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -30.016 -8.201 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -30.128 -9.739 6.249 1.00 0.00 H new ATOM 0 HE ARG A 85 -32.712 -8.470 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -30.394 -10.260 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -31.613 -10.808 3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -34.276 -9.142 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -33.809 -10.176 3.350 1.00 0.00 H new ATOM 1287 N GLU A 86 -26.382 -5.821 7.620 1.00 0.00 N ATOM 1288 CA GLU A 86 -25.190 -5.316 8.293 1.00 0.00 C ATOM 1289 C GLU A 86 -25.003 -3.820 8.047 1.00 0.00 C ATOM 1290 O GLU A 86 -24.312 -3.135 8.797 1.00 0.00 O ATOM 1291 CB GLU A 86 -23.962 -6.080 7.819 1.00 0.00 C ATOM 1292 CG GLU A 86 -23.963 -7.525 8.265 1.00 0.00 C ATOM 1293 CD GLU A 86 -23.775 -7.675 9.759 1.00 0.00 C ATOM 1294 OE1 GLU A 86 -22.614 -7.658 10.220 1.00 0.00 O ATOM 1295 OE2 GLU A 86 -24.783 -7.817 10.480 1.00 0.00 O ATOM 0 H GLU A 86 -26.197 -6.301 6.739 1.00 0.00 H new ATOM 0 HA GLU A 86 -25.319 -5.467 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -23.913 -6.040 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -23.066 -5.588 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -24.904 -7.991 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -23.168 -8.061 7.747 1.00 0.00 H new ATOM 1302 N PHE A 87 -25.634 -3.319 6.995 1.00 0.00 N ATOM 1303 CA PHE A 87 -25.473 -1.924 6.598 1.00 0.00 C ATOM 1304 C PHE A 87 -26.684 -1.092 6.980 1.00 0.00 C ATOM 1305 O PHE A 87 -26.595 0.127 7.087 1.00 0.00 O ATOM 1306 CB PHE A 87 -25.233 -1.808 5.092 1.00 0.00 C ATOM 1307 CG PHE A 87 -23.910 -2.348 4.634 1.00 0.00 C ATOM 1308 CD1 PHE A 87 -23.704 -3.712 4.513 1.00 0.00 C ATOM 1309 CD2 PHE A 87 -22.872 -1.487 4.319 1.00 0.00 C ATOM 1310 CE1 PHE A 87 -22.489 -4.207 4.089 1.00 0.00 C ATOM 1311 CE2 PHE A 87 -21.653 -1.977 3.893 1.00 0.00 C ATOM 1312 CZ PHE A 87 -21.461 -3.340 3.778 1.00 0.00 C ATOM 0 H PHE A 87 -26.263 -3.857 6.399 1.00 0.00 H new ATOM 0 HA PHE A 87 -24.604 -1.540 7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -26.029 -2.336 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -25.303 -0.759 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -24.504 -4.396 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -23.017 -0.420 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -22.342 -5.273 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -20.851 -1.295 3.650 1.00 0.00 H new ATOM 0 HZ PHE A 87 -20.509 -3.726 3.446 1.00 0.00 H new ATOM 1322 N MET A 88 -27.807 -1.758 7.195 1.00 0.00 N ATOM 1323 CA MET A 88 -29.076 -1.079 7.426 1.00 0.00 C ATOM 1324 C MET A 88 -29.006 -0.102 8.599 1.00 0.00 C ATOM 1325 O MET A 88 -29.600 0.974 8.546 1.00 0.00 O ATOM 1326 CB MET A 88 -30.197 -2.099 7.634 1.00 0.00 C ATOM 1327 CG MET A 88 -31.397 -1.527 8.368 1.00 0.00 C ATOM 1328 SD MET A 88 -32.822 -2.627 8.351 1.00 0.00 S ATOM 1329 CE MET A 88 -33.321 -2.479 6.639 1.00 0.00 C ATOM 0 H MET A 88 -27.867 -2.776 7.215 1.00 0.00 H new ATOM 0 HA MET A 88 -29.295 -0.490 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 88 -30.519 -2.478 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 88 -29.807 -2.949 8.195 1.00 0.00 H new ATOM 0 HG2 MET A 88 -31.118 -1.318 9.401 1.00 0.00 H new ATOM 0 HG3 MET A 88 -31.674 -0.576 7.914 1.00 0.00 H new ATOM 0 HE1 MET A 88 -34.354 -2.810 6.531 1.00 0.00 H new ATOM 0 HE2 MET A 88 -33.239 -1.439 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 88 -32.675 -3.098 6.017 1.00 0.00 H new ATOM 1339 N ASP A 89 -28.291 -0.477 9.654 1.00 0.00 N ATOM 1340 CA ASP A 89 -28.086 0.394 10.812 1.00 0.00 C ATOM 1341 C ASP A 89 -27.519 1.756 10.421 1.00 0.00 C ATOM 1342 O ASP A 89 -27.743 2.750 11.111 1.00 0.00 O ATOM 1343 CB ASP A 89 -27.145 -0.284 11.803 1.00 0.00 C ATOM 1344 CG ASP A 89 -27.753 -1.517 12.435 1.00 0.00 C ATOM 1345 OD1 ASP A 89 -27.935 -2.526 11.725 1.00 0.00 O ATOM 1346 OD2 ASP A 89 -28.036 -1.492 13.649 1.00 0.00 O ATOM 0 H ASP A 89 -27.838 -1.388 9.733 1.00 0.00 H new ATOM 0 HA ASP A 89 -29.061 0.563 11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -26.223 -0.560 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -26.876 0.425 12.586 1.00 0.00 H new ATOM 1351 N ALA A 90 -26.792 1.798 9.318 1.00 0.00 N ATOM 1352 CA ALA A 90 -26.201 3.037 8.840 1.00 0.00 C ATOM 1353 C ALA A 90 -26.887 3.498 7.560 1.00 0.00 C ATOM 1354 O ALA A 90 -26.380 4.365 6.846 1.00 0.00 O ATOM 1355 CB ALA A 90 -24.708 2.856 8.615 1.00 0.00 C ATOM 0 H ALA A 90 -26.596 0.985 8.734 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.345 3.807 9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -24.278 3.791 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.230 2.572 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -24.544 2.074 7.873 1.00 0.00 H new ATOM 1361 N GLY A 91 -28.045 2.916 7.276 1.00 0.00 N ATOM 1362 CA GLY A 91 -28.769 3.254 6.069 1.00 0.00 C ATOM 1363 C GLY A 91 -28.414 2.337 4.921 1.00 0.00 C ATOM 1364 O GLY A 91 -27.246 1.992 4.732 1.00 0.00 O ATOM 0 H GLY A 91 -28.496 2.214 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -29.840 3.197 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -28.549 4.285 5.791 1.00 0.00 H new ATOM 1368 N GLU A 92 -29.418 1.940 4.155 1.00 0.00 N ATOM 1369 CA GLU A 92 -29.208 1.050 3.023 1.00 0.00 C ATOM 1370 C GLU A 92 -28.306 1.700 1.980 1.00 0.00 C ATOM 1371 O GLU A 92 -28.605 2.775 1.461 1.00 0.00 O ATOM 1372 CB GLU A 92 -30.539 0.635 2.408 1.00 0.00 C ATOM 1373 CG GLU A 92 -31.293 -0.383 3.249 1.00 0.00 C ATOM 1374 CD GLU A 92 -32.634 -0.756 2.656 1.00 0.00 C ATOM 1375 OE1 GLU A 92 -32.780 -0.696 1.415 1.00 0.00 O ATOM 1376 OE2 GLU A 92 -33.552 -1.098 3.430 1.00 0.00 O ATOM 0 H GLU A 92 -30.388 2.220 4.297 1.00 0.00 H new ATOM 0 HA GLU A 92 -28.708 0.152 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -31.162 1.519 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -30.360 0.218 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -30.685 -1.282 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -31.443 0.020 4.251 1.00 0.00 H new ATOM 1383 N PRO A 93 -27.189 1.035 1.675 1.00 0.00 N ATOM 1384 CA PRO A 93 -26.136 1.567 0.808 1.00 0.00 C ATOM 1385 C PRO A 93 -26.505 1.607 -0.662 1.00 0.00 C ATOM 1386 O PRO A 93 -27.512 1.041 -1.097 1.00 0.00 O ATOM 1387 CB PRO A 93 -24.966 0.623 1.039 1.00 0.00 C ATOM 1388 CG PRO A 93 -25.566 -0.653 1.500 1.00 0.00 C ATOM 1389 CD PRO A 93 -26.873 -0.317 2.160 1.00 0.00 C ATOM 0 HA PRO A 93 -25.926 2.608 1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -24.393 0.478 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -24.280 1.025 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -25.722 -1.330 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -24.901 -1.160 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -27.651 -1.030 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -26.787 -0.340 3.246 1.00 0.00 H new ATOM 1397 N GLU A 94 -25.671 2.305 -1.410 1.00 0.00 N ATOM 1398 CA GLU A 94 -25.930 2.599 -2.800 1.00 0.00 C ATOM 1399 C GLU A 94 -24.913 1.899 -3.693 1.00 0.00 C ATOM 1400 O GLU A 94 -23.838 1.507 -3.237 1.00 0.00 O ATOM 1401 CB GLU A 94 -25.850 4.111 -3.022 1.00 0.00 C ATOM 1402 CG GLU A 94 -26.482 4.951 -1.914 1.00 0.00 C ATOM 1403 CD GLU A 94 -25.622 5.092 -0.673 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -24.500 5.624 -0.783 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -26.081 4.712 0.423 1.00 0.00 O ATOM 0 H GLU A 94 -24.790 2.685 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 94 -26.926 2.239 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.803 4.395 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.338 4.353 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -26.700 5.944 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -27.435 4.503 -1.633 1.00 0.00 H new ATOM 1412 N ILE A 95 -25.259 1.741 -4.963 1.00 0.00 N ATOM 1413 CA ILE A 95 -24.366 1.111 -5.922 1.00 0.00 C ATOM 1414 C ILE A 95 -23.289 2.087 -6.369 1.00 0.00 C ATOM 1415 O ILE A 95 -23.577 3.229 -6.723 1.00 0.00 O ATOM 1416 CB ILE A 95 -25.132 0.570 -7.150 1.00 0.00 C ATOM 1417 CG1 ILE A 95 -26.147 -0.479 -6.697 1.00 0.00 C ATOM 1418 CG2 ILE A 95 -24.171 -0.014 -8.181 1.00 0.00 C ATOM 1419 CD1 ILE A 95 -26.739 -1.300 -7.816 1.00 0.00 C ATOM 0 H ILE A 95 -26.153 2.041 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.897 0.264 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 95 -25.662 1.395 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -25.664 -1.150 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -26.955 0.022 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -24.736 -0.388 -9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -23.480 0.760 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -23.609 -0.833 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -27.448 -2.018 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -27.254 -0.643 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -25.943 -1.833 -8.337 1.00 0.00 H new ATOM 1431 N GLY A 96 -22.048 1.623 -6.342 1.00 0.00 N ATOM 1432 CA GLY A 96 -20.922 2.467 -6.672 1.00 0.00 C ATOM 1433 C GLY A 96 -20.648 3.493 -5.593 1.00 0.00 C ATOM 1434 O GLY A 96 -20.051 4.540 -5.854 1.00 0.00 O ATOM 0 H GLY A 96 -21.801 0.665 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -20.036 1.849 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -21.115 2.976 -7.616 1.00 0.00 H new ATOM 1438 N ALA A 97 -21.076 3.194 -4.375 1.00 0.00 N ATOM 1439 CA ALA A 97 -20.859 4.096 -3.262 1.00 0.00 C ATOM 1440 C ALA A 97 -19.731 3.599 -2.384 1.00 0.00 C ATOM 1441 O ALA A 97 -19.798 2.534 -1.785 1.00 0.00 O ATOM 1442 CB ALA A 97 -22.130 4.292 -2.453 1.00 0.00 C ATOM 0 H ALA A 97 -21.573 2.336 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 97 -20.575 5.066 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.933 4.974 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -22.907 4.712 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -22.463 3.331 -2.060 1.00 0.00 H new ATOM 1448 N ILE A 98 -18.702 4.401 -2.319 1.00 0.00 N ATOM 1449 CA ILE A 98 -17.487 4.071 -1.601 1.00 0.00 C ATOM 1450 C ILE A 98 -17.535 4.719 -0.251 1.00 0.00 C ATOM 1451 O ILE A 98 -17.641 5.943 -0.181 1.00 0.00 O ATOM 1452 CB ILE A 98 -16.279 4.636 -2.360 1.00 0.00 C ATOM 1453 CG1 ILE A 98 -16.463 4.394 -3.851 1.00 0.00 C ATOM 1454 CG2 ILE A 98 -14.983 4.012 -1.860 1.00 0.00 C ATOM 1455 CD1 ILE A 98 -15.775 5.414 -4.722 1.00 0.00 C ATOM 0 H ILE A 98 -18.678 5.317 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.400 2.989 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.214 5.709 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -16.083 3.403 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.529 4.393 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.141 4.429 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.861 4.227 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.017 2.933 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.951 5.175 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -16.172 6.406 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.704 5.400 -4.522 1.00 0.00 H new ATOM 1467 N MET A 99 -17.472 3.974 0.843 1.00 0.00 N ATOM 1468 CA MET A 99 -17.562 4.587 2.142 1.00 0.00 C ATOM 1469 C MET A 99 -16.454 3.983 2.995 1.00 0.00 C ATOM 1470 O MET A 99 -16.045 2.842 2.771 1.00 0.00 O ATOM 1471 CB MET A 99 -18.913 4.296 2.796 1.00 0.00 C ATOM 1472 CG MET A 99 -20.076 4.185 1.817 1.00 0.00 C ATOM 1473 SD MET A 99 -21.670 4.030 2.645 1.00 0.00 S ATOM 1474 CE MET A 99 -21.354 2.623 3.707 1.00 0.00 C ATOM 0 H MET A 99 -17.361 2.960 0.850 1.00 0.00 H new ATOM 0 HA MET A 99 -17.462 5.669 2.051 1.00 0.00 H new ATOM 0 HB2 MET A 99 -18.838 3.365 3.359 1.00 0.00 H new ATOM 0 HB3 MET A 99 -19.133 5.086 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 99 -20.089 5.065 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 99 -19.921 3.321 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.281 2.074 3.869 1.00 0.00 H new ATOM 0 HE2 MET A 99 -20.622 1.968 3.235 1.00 0.00 H new ATOM 0 HE3 MET A 99 -20.966 2.970 4.665 1.00 0.00 H new ATOM 1484 N LEU A 100 -15.953 4.757 3.927 1.00 0.00 N ATOM 1485 CA LEU A 100 -14.833 4.309 4.753 1.00 0.00 C ATOM 1486 C LEU A 100 -15.220 3.206 5.739 1.00 0.00 C ATOM 1487 O LEU A 100 -16.086 3.366 6.598 1.00 0.00 O ATOM 1488 CB LEU A 100 -14.200 5.496 5.475 1.00 0.00 C ATOM 1489 CG LEU A 100 -13.047 6.184 4.729 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -11.789 5.340 4.801 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -13.413 6.438 3.275 1.00 0.00 C ATOM 0 H LEU A 100 -16.292 5.695 4.140 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.097 3.868 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.976 6.236 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.832 5.156 6.443 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.862 7.143 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.983 5.843 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.503 5.201 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.976 4.368 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.579 6.926 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.630 5.490 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.292 7.081 3.228 1.00 0.00 H new ATOM 1503 N PHE A 101 -14.540 2.080 5.553 1.00 0.00 N ATOM 1504 CA PHE A 101 -14.766 0.830 6.287 1.00 0.00 C ATOM 1505 C PHE A 101 -13.611 0.526 7.245 1.00 0.00 C ATOM 1506 O PHE A 101 -12.599 1.208 7.234 1.00 0.00 O ATOM 1507 CB PHE A 101 -14.967 -0.342 5.322 1.00 0.00 C ATOM 1508 CG PHE A 101 -16.209 -0.243 4.480 1.00 0.00 C ATOM 1509 CD1 PHE A 101 -17.367 0.333 4.980 1.00 0.00 C ATOM 1510 CD2 PHE A 101 -16.218 -0.735 3.186 1.00 0.00 C ATOM 1511 CE1 PHE A 101 -18.506 0.419 4.203 1.00 0.00 C ATOM 1512 CE2 PHE A 101 -17.355 -0.653 2.404 1.00 0.00 C ATOM 1513 CZ PHE A 101 -18.500 -0.074 2.914 1.00 0.00 C ATOM 0 H PHE A 101 -13.790 2.005 4.865 1.00 0.00 H new ATOM 0 HA PHE A 101 -15.674 0.961 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -14.100 -0.409 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -15.004 -1.268 5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -17.379 0.719 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -15.325 -1.189 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -19.401 0.872 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -17.348 -1.041 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 101 -19.390 -0.007 2.305 1.00 0.00 H new ATOM 1523 N THR A 102 -13.749 -0.544 8.027 1.00 0.00 N ATOM 1524 CA THR A 102 -12.856 -0.749 9.172 1.00 0.00 C ATOM 1525 C THR A 102 -12.171 -2.112 9.099 1.00 0.00 C ATOM 1526 O THR A 102 -12.810 -3.153 9.255 1.00 0.00 O ATOM 1527 CB THR A 102 -13.573 -0.622 10.529 1.00 0.00 C ATOM 1528 OG1 THR A 102 -14.404 0.546 10.542 1.00 0.00 O ATOM 1529 CG2 THR A 102 -12.546 -0.521 11.653 1.00 0.00 C ATOM 0 H THR A 102 -14.454 -1.269 7.896 1.00 0.00 H new ATOM 0 HA THR A 102 -12.113 0.046 9.110 1.00 0.00 H new ATOM 0 HB THR A 102 -14.192 -1.506 10.679 1.00 0.00 H new ATOM 0 HG1 THR A 102 -14.856 0.616 11.409 1.00 0.00 H new ATOM 0 HG21 THR A 102 -13.061 -0.431 12.609 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.923 -1.416 11.658 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.919 0.356 11.495 1.00 0.00 H new ATOM 1537 N ALA A 103 -10.875 -2.090 8.836 1.00 0.00 N ATOM 1538 CA ALA A 103 -10.075 -3.304 8.762 1.00 0.00 C ATOM 1539 C ALA A 103 -9.735 -3.863 10.139 1.00 0.00 C ATOM 1540 O ALA A 103 -10.001 -3.229 11.161 1.00 0.00 O ATOM 1541 CB ALA A 103 -8.810 -3.061 7.953 1.00 0.00 C ATOM 0 H ALA A 103 -10.348 -1.233 8.668 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.681 -4.056 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.225 -3.979 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.078 -2.752 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.220 -2.277 8.427 1.00 0.00 H new ATOM 1547 N MET A 104 -9.183 -5.069 10.149 1.00 0.00 N ATOM 1548 CA MET A 104 -8.799 -5.755 11.380 1.00 0.00 C ATOM 1549 C MET A 104 -7.785 -4.935 12.176 1.00 0.00 C ATOM 1550 O MET A 104 -7.844 -4.873 13.402 1.00 0.00 O ATOM 1551 CB MET A 104 -8.223 -7.135 11.058 1.00 0.00 C ATOM 1552 CG MET A 104 -9.244 -8.110 10.484 1.00 0.00 C ATOM 1553 SD MET A 104 -9.883 -7.614 8.867 1.00 0.00 S ATOM 1554 CE MET A 104 -8.401 -7.682 7.860 1.00 0.00 C ATOM 0 H MET A 104 -8.987 -5.603 9.302 1.00 0.00 H new ATOM 0 HA MET A 104 -9.693 -5.875 11.992 1.00 0.00 H new ATOM 0 HB2 MET A 104 -7.405 -7.020 10.347 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.798 -7.562 11.966 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.786 -9.095 10.398 1.00 0.00 H new ATOM 0 HG3 MET A 104 -10.076 -8.205 11.181 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.636 -8.134 6.896 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.020 -6.673 7.704 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.644 -8.281 8.367 1.00 0.00 H new ATOM 1564 N ASP A 105 -6.875 -4.280 11.465 1.00 0.00 N ATOM 1565 CA ASP A 105 -5.868 -3.415 12.083 1.00 0.00 C ATOM 1566 C ASP A 105 -6.476 -2.060 12.458 1.00 0.00 C ATOM 1567 O ASP A 105 -5.771 -1.063 12.618 1.00 0.00 O ATOM 1568 CB ASP A 105 -4.643 -3.249 11.176 1.00 0.00 C ATOM 1569 CG ASP A 105 -4.911 -2.432 9.931 1.00 0.00 C ATOM 1570 OD1 ASP A 105 -5.882 -2.737 9.215 1.00 0.00 O ATOM 1571 OD2 ASP A 105 -4.140 -1.484 9.659 1.00 0.00 O ATOM 0 H ASP A 105 -6.811 -4.331 10.448 1.00 0.00 H new ATOM 0 HA ASP A 105 -5.527 -3.895 13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.843 -2.775 11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.284 -4.235 10.882 1.00 0.00 H new ATOM 1576 N GLY A 106 -7.803 -2.058 12.623 1.00 0.00 N ATOM 1577 CA GLY A 106 -8.520 -0.817 12.871 1.00 0.00 C ATOM 1578 C GLY A 106 -8.513 0.162 11.717 1.00 0.00 C ATOM 1579 O GLY A 106 -9.254 1.145 11.741 1.00 0.00 O ATOM 0 H GLY A 106 -8.389 -2.892 12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.554 -1.055 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.085 -0.331 13.744 1.00 0.00 H new ATOM 1583 N SER A 107 -7.677 -0.081 10.719 1.00 0.00 N ATOM 1584 CA SER A 107 -7.479 0.887 9.664 1.00 0.00 C ATOM 1585 C SER A 107 -8.734 1.067 8.860 1.00 0.00 C ATOM 1586 O SER A 107 -9.392 0.110 8.453 1.00 0.00 O ATOM 1587 CB SER A 107 -6.334 0.492 8.750 1.00 0.00 C ATOM 1588 OG SER A 107 -6.130 1.446 7.720 1.00 0.00 O ATOM 0 H SER A 107 -7.130 -0.936 10.622 1.00 0.00 H new ATOM 0 HA SER A 107 -7.224 1.833 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.421 0.388 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.541 -0.482 8.307 1.00 0.00 H new ATOM 0 HG SER A 107 -5.384 1.160 7.152 1.00 0.00 H new ATOM 1594 N GLU A 108 -9.056 2.306 8.649 1.00 0.00 N ATOM 1595 CA GLU A 108 -10.218 2.647 7.876 1.00 0.00 C ATOM 1596 C GLU A 108 -9.822 2.787 6.419 1.00 0.00 C ATOM 1597 O GLU A 108 -9.205 3.773 6.013 1.00 0.00 O ATOM 1598 CB GLU A 108 -10.858 3.933 8.407 1.00 0.00 C ATOM 1599 CG GLU A 108 -12.368 3.843 8.512 1.00 0.00 C ATOM 1600 CD GLU A 108 -13.007 5.086 9.084 1.00 0.00 C ATOM 1601 OE1 GLU A 108 -12.349 6.146 9.117 1.00 0.00 O ATOM 1602 OE2 GLU A 108 -14.180 5.009 9.509 1.00 0.00 O ATOM 0 H GLU A 108 -8.529 3.105 9.002 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.962 1.855 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.444 4.160 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.594 4.762 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.783 3.654 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.631 2.989 9.136 1.00 0.00 H new ATOM 1609 N MET A 109 -10.170 1.773 5.641 1.00 0.00 N ATOM 1610 CA MET A 109 -9.829 1.737 4.231 1.00 0.00 C ATOM 1611 C MET A 109 -11.065 2.096 3.440 1.00 0.00 C ATOM 1612 O MET A 109 -12.185 1.824 3.882 1.00 0.00 O ATOM 1613 CB MET A 109 -9.345 0.343 3.782 1.00 0.00 C ATOM 1614 CG MET A 109 -8.745 -0.514 4.884 1.00 0.00 C ATOM 1615 SD MET A 109 -7.639 -1.802 4.255 1.00 0.00 S ATOM 1616 CE MET A 109 -8.742 -2.759 3.210 1.00 0.00 C ATOM 0 H MET A 109 -10.692 0.960 5.968 1.00 0.00 H new ATOM 0 HA MET A 109 -9.016 2.442 4.058 1.00 0.00 H new ATOM 0 HB2 MET A 109 -10.186 -0.193 3.343 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.602 0.469 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.194 0.125 5.574 1.00 0.00 H new ATOM 0 HG3 MET A 109 -9.549 -0.980 5.453 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.215 -3.634 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 109 -9.607 -3.080 3.791 1.00 0.00 H new ATOM 0 HE3 MET A 109 -9.075 -2.145 2.373 1.00 0.00 H new ATOM 1626 N PRO A 110 -10.898 2.738 2.283 1.00 0.00 N ATOM 1627 CA PRO A 110 -12.014 2.987 1.391 1.00 0.00 C ATOM 1628 C PRO A 110 -12.590 1.674 0.879 1.00 0.00 C ATOM 1629 O PRO A 110 -11.864 0.702 0.664 1.00 0.00 O ATOM 1630 CB PRO A 110 -11.408 3.819 0.258 1.00 0.00 C ATOM 1631 CG PRO A 110 -9.944 3.540 0.313 1.00 0.00 C ATOM 1632 CD PRO A 110 -9.627 3.268 1.756 1.00 0.00 C ATOM 0 HA PRO A 110 -12.842 3.503 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -11.828 3.536 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -11.613 4.881 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.686 2.684 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.371 4.389 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.815 2.548 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.320 4.174 2.279 1.00 0.00 H new ATOM 1640 N GLY A 111 -13.887 1.659 0.678 1.00 0.00 N ATOM 1641 CA GLY A 111 -14.567 0.439 0.332 1.00 0.00 C ATOM 1642 C GLY A 111 -15.663 0.730 -0.644 1.00 0.00 C ATOM 1643 O GLY A 111 -16.673 1.327 -0.270 1.00 0.00 O ATOM 0 H GLY A 111 -14.490 2.479 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.862 -0.271 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.979 -0.025 1.228 1.00 0.00 H new ATOM 1647 N VAL A 112 -15.489 0.348 -1.892 1.00 0.00 N ATOM 1648 CA VAL A 112 -16.477 0.716 -2.875 1.00 0.00 C ATOM 1649 C VAL A 112 -17.572 -0.319 -2.917 1.00 0.00 C ATOM 1650 O VAL A 112 -17.370 -1.450 -3.353 1.00 0.00 O ATOM 1651 CB VAL A 112 -15.888 0.948 -4.292 1.00 0.00 C ATOM 1652 CG1 VAL A 112 -15.014 -0.205 -4.753 1.00 0.00 C ATOM 1653 CG2 VAL A 112 -17.019 1.180 -5.284 1.00 0.00 C ATOM 0 H VAL A 112 -14.700 -0.198 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 112 -16.887 1.676 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 112 -15.250 1.830 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.627 0.008 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.182 -0.331 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -15.605 -1.121 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -16.603 1.343 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -17.672 0.307 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.593 2.056 -4.983 1.00 0.00 H new ATOM 1663 N ILE A 113 -18.724 0.053 -2.398 1.00 0.00 N ATOM 1664 CA ILE A 113 -19.886 -0.773 -2.567 1.00 0.00 C ATOM 1665 C ILE A 113 -20.205 -0.857 -4.041 1.00 0.00 C ATOM 1666 O ILE A 113 -20.657 0.097 -4.663 1.00 0.00 O ATOM 1667 CB ILE A 113 -21.076 -0.235 -1.758 1.00 0.00 C ATOM 1668 CG1 ILE A 113 -20.638 0.006 -0.311 1.00 0.00 C ATOM 1669 CG2 ILE A 113 -22.226 -1.217 -1.795 1.00 0.00 C ATOM 1670 CD1 ILE A 113 -21.731 0.539 0.579 1.00 0.00 C ATOM 0 H ILE A 113 -18.873 0.910 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 113 -19.683 -1.774 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 113 -21.411 0.704 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -20.268 -0.930 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -19.805 0.709 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -23.061 -0.821 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -22.540 -1.371 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -21.907 -2.167 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -21.342 0.683 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -22.087 1.492 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -22.557 -0.172 0.607 1.00 0.00 H new ATOM 1682 N ARG A 114 -19.949 -2.025 -4.572 1.00 0.00 N ATOM 1683 CA ARG A 114 -19.957 -2.261 -5.992 1.00 0.00 C ATOM 1684 C ARG A 114 -21.379 -2.327 -6.527 1.00 0.00 C ATOM 1685 O ARG A 114 -21.681 -1.750 -7.569 1.00 0.00 O ATOM 1686 CB ARG A 114 -19.170 -3.554 -6.258 1.00 0.00 C ATOM 1687 CG ARG A 114 -19.701 -4.412 -7.398 1.00 0.00 C ATOM 1688 CD ARG A 114 -19.489 -3.755 -8.747 1.00 0.00 C ATOM 1689 NE ARG A 114 -18.078 -3.734 -9.132 1.00 0.00 N ATOM 1690 CZ ARG A 114 -17.628 -3.296 -10.309 1.00 0.00 C ATOM 1691 NH1 ARG A 114 -18.479 -2.866 -11.235 1.00 0.00 N ATOM 1692 NH2 ARG A 114 -16.324 -3.294 -10.559 1.00 0.00 N ATOM 0 H ARG A 114 -19.725 -2.853 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 114 -19.479 -1.436 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -18.134 -3.292 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -19.165 -4.152 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -19.203 -5.382 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -20.765 -4.597 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -20.063 -4.289 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -19.872 -2.735 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 114 -17.394 -4.076 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -19.482 -2.870 -11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -18.129 -2.532 -12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.669 -3.627 -9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.978 -2.960 -11.458 1.00 0.00 H new ATOM 1706 N GLU A 115 -22.250 -3.005 -5.803 1.00 0.00 N ATOM 1707 CA GLU A 115 -23.615 -3.203 -6.249 1.00 0.00 C ATOM 1708 C GLU A 115 -24.499 -3.548 -5.055 1.00 0.00 C ATOM 1709 O GLU A 115 -24.007 -4.014 -4.027 1.00 0.00 O ATOM 1710 CB GLU A 115 -23.659 -4.312 -7.303 1.00 0.00 C ATOM 1711 CG GLU A 115 -24.737 -4.101 -8.347 1.00 0.00 C ATOM 1712 CD GLU A 115 -24.773 -5.205 -9.376 1.00 0.00 C ATOM 1713 OE1 GLU A 115 -23.928 -5.186 -10.300 1.00 0.00 O ATOM 1714 OE2 GLU A 115 -25.633 -6.102 -9.263 1.00 0.00 O ATOM 0 H GLU A 115 -22.035 -3.429 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 115 -23.991 -2.285 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -22.690 -4.373 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -23.824 -5.269 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -25.707 -4.037 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -24.570 -3.148 -8.848 1.00 0.00 H new ATOM 1721 N ILE A 116 -25.793 -3.299 -5.182 1.00 0.00 N ATOM 1722 CA ILE A 116 -26.731 -3.593 -4.113 1.00 0.00 C ATOM 1723 C ILE A 116 -27.641 -4.733 -4.524 1.00 0.00 C ATOM 1724 O ILE A 116 -28.411 -4.615 -5.476 1.00 0.00 O ATOM 1725 CB ILE A 116 -27.606 -2.374 -3.738 1.00 0.00 C ATOM 1726 CG1 ILE A 116 -26.742 -1.152 -3.406 1.00 0.00 C ATOM 1727 CG2 ILE A 116 -28.517 -2.717 -2.563 1.00 0.00 C ATOM 1728 CD1 ILE A 116 -25.704 -1.398 -2.338 1.00 0.00 C ATOM 0 H ILE A 116 -26.217 -2.893 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 116 -26.137 -3.865 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 116 -28.223 -2.124 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -26.240 -0.819 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -27.392 -0.338 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -29.127 -1.850 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -29.165 -3.549 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -27.910 -2.997 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -25.137 -0.483 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -26.197 -1.700 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -25.027 -2.188 -2.663 1.00 0.00 H new ATOM 1740 N ASN A 117 -27.530 -5.839 -3.819 1.00 0.00 N ATOM 1741 CA ASN A 117 -28.388 -6.988 -4.054 1.00 0.00 C ATOM 1742 C ASN A 117 -29.501 -6.988 -3.019 1.00 0.00 C ATOM 1743 O ASN A 117 -29.351 -6.432 -1.931 1.00 0.00 O ATOM 1744 CB ASN A 117 -27.597 -8.304 -3.980 1.00 0.00 C ATOM 1745 CG ASN A 117 -26.641 -8.513 -5.145 1.00 0.00 C ATOM 1746 OD1 ASN A 117 -26.399 -9.646 -5.565 1.00 0.00 O ATOM 1747 ND2 ASN A 117 -26.086 -7.432 -5.666 1.00 0.00 N ATOM 0 H ASN A 117 -26.849 -5.970 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 117 -28.808 -6.914 -5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -27.030 -8.324 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -28.299 -9.137 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -25.432 -7.519 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -26.312 -6.511 -5.290 1.00 0.00 H new ATOM 1754 N GLY A 118 -30.619 -7.608 -3.370 1.00 0.00 N ATOM 1755 CA GLY A 118 -31.801 -7.567 -2.531 1.00 0.00 C ATOM 1756 C GLY A 118 -31.601 -8.199 -1.167 1.00 0.00 C ATOM 1757 O GLY A 118 -32.291 -7.846 -0.215 1.00 0.00 O ATOM 0 H GLY A 118 -30.729 -8.144 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -32.107 -6.529 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -32.617 -8.078 -3.042 1.00 0.00 H new ATOM 1761 N ASP A 119 -30.695 -9.162 -1.077 1.00 0.00 N ATOM 1762 CA ASP A 119 -30.405 -9.827 0.189 1.00 0.00 C ATOM 1763 C ASP A 119 -28.976 -9.549 0.662 1.00 0.00 C ATOM 1764 O ASP A 119 -28.663 -9.692 1.846 1.00 0.00 O ATOM 1765 CB ASP A 119 -30.632 -11.336 0.036 1.00 0.00 C ATOM 1766 CG ASP A 119 -30.119 -12.144 1.213 1.00 0.00 C ATOM 1767 OD1 ASP A 119 -30.827 -12.232 2.236 1.00 0.00 O ATOM 1768 OD2 ASP A 119 -29.006 -12.707 1.116 1.00 0.00 O ATOM 0 H ASP A 119 -30.146 -9.502 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 119 -31.080 -9.428 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -31.698 -11.525 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -30.140 -11.680 -0.874 1.00 0.00 H new ATOM 1773 N SER A 120 -28.129 -9.095 -0.248 1.00 0.00 N ATOM 1774 CA SER A 120 -26.703 -9.008 0.028 1.00 0.00 C ATOM 1775 C SER A 120 -26.117 -7.703 -0.496 1.00 0.00 C ATOM 1776 O SER A 120 -26.676 -7.067 -1.383 1.00 0.00 O ATOM 1777 CB SER A 120 -25.985 -10.197 -0.617 1.00 0.00 C ATOM 1778 OG SER A 120 -24.635 -10.286 -0.188 1.00 0.00 O ATOM 0 H SER A 120 -28.402 -8.782 -1.180 1.00 0.00 H new ATOM 0 HA SER A 120 -26.560 -9.031 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 120 -26.509 -11.119 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 120 -26.017 -10.097 -1.702 1.00 0.00 H new ATOM 0 HG SER A 120 -24.206 -11.056 -0.616 1.00 0.00 H new ATOM 1784 N ILE A 121 -24.994 -7.305 0.066 1.00 0.00 N ATOM 1785 CA ILE A 121 -24.303 -6.113 -0.376 1.00 0.00 C ATOM 1786 C ILE A 121 -23.008 -6.493 -1.075 1.00 0.00 C ATOM 1787 O ILE A 121 -22.235 -7.314 -0.577 1.00 0.00 O ATOM 1788 CB ILE A 121 -23.995 -5.161 0.802 1.00 0.00 C ATOM 1789 CG1 ILE A 121 -25.294 -4.676 1.450 1.00 0.00 C ATOM 1790 CG2 ILE A 121 -23.160 -3.974 0.338 1.00 0.00 C ATOM 1791 CD1 ILE A 121 -26.222 -3.953 0.495 1.00 0.00 C ATOM 0 H ILE A 121 -24.538 -7.795 0.836 1.00 0.00 H new ATOM 0 HA ILE A 121 -24.959 -5.589 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 121 -23.419 -5.714 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -25.819 -5.532 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -25.049 -4.010 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -22.957 -3.319 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -22.218 -4.332 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -23.707 -3.421 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -27.120 -3.640 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -25.716 -3.076 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -26.498 -4.622 -0.320 1.00 0.00 H new ATOM 1803 N THR A 122 -22.774 -5.896 -2.226 1.00 0.00 N ATOM 1804 CA THR A 122 -21.549 -6.172 -2.935 1.00 0.00 C ATOM 1805 C THR A 122 -20.488 -5.160 -2.547 1.00 0.00 C ATOM 1806 O THR A 122 -20.501 -4.009 -2.966 1.00 0.00 O ATOM 1807 CB THR A 122 -21.737 -6.166 -4.456 1.00 0.00 C ATOM 1808 OG1 THR A 122 -22.948 -6.851 -4.801 1.00 0.00 O ATOM 1809 CG2 THR A 122 -20.555 -6.849 -5.123 1.00 0.00 C ATOM 0 H THR A 122 -23.402 -5.232 -2.679 1.00 0.00 H new ATOM 0 HA THR A 122 -21.232 -7.175 -2.650 1.00 0.00 H new ATOM 0 HB THR A 122 -21.799 -5.134 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 122 -23.713 -6.254 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 122 -20.693 -6.842 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 122 -19.638 -6.317 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 122 -20.485 -7.879 -4.773 1.00 0.00 H new ATOM 1817 N VAL A 123 -19.593 -5.633 -1.711 1.00 0.00 N ATOM 1818 CA VAL A 123 -18.467 -4.837 -1.260 1.00 0.00 C ATOM 1819 C VAL A 123 -17.251 -5.094 -2.139 1.00 0.00 C ATOM 1820 O VAL A 123 -17.140 -6.137 -2.775 1.00 0.00 O ATOM 1821 CB VAL A 123 -18.132 -5.084 0.231 1.00 0.00 C ATOM 1822 CG1 VAL A 123 -17.101 -4.081 0.741 1.00 0.00 C ATOM 1823 CG2 VAL A 123 -19.393 -5.013 1.074 1.00 0.00 C ATOM 0 H VAL A 123 -19.621 -6.576 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 123 -18.753 -3.789 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 123 -17.703 -6.082 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -16.887 -4.281 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -16.184 -4.175 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -17.495 -3.070 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -19.142 -5.189 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -19.845 -4.027 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -20.099 -5.773 0.738 1.00 0.00 H new ATOM 1833 N ASP A 124 -16.356 -4.128 -2.155 1.00 0.00 N ATOM 1834 CA ASP A 124 -15.178 -4.187 -2.997 1.00 0.00 C ATOM 1835 C ASP A 124 -14.041 -3.404 -2.346 1.00 0.00 C ATOM 1836 O ASP A 124 -13.971 -2.183 -2.502 1.00 0.00 O ATOM 1837 CB ASP A 124 -15.508 -3.604 -4.370 1.00 0.00 C ATOM 1838 CG ASP A 124 -14.605 -4.093 -5.478 1.00 0.00 C ATOM 1839 OD1 ASP A 124 -13.399 -4.277 -5.243 1.00 0.00 O ATOM 1840 OD2 ASP A 124 -15.110 -4.304 -6.604 1.00 0.00 O ATOM 0 H ASP A 124 -16.423 -3.283 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 124 -14.863 -5.224 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -16.540 -3.851 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.445 -2.517 -4.317 1.00 0.00 H new ATOM 1845 N PHE A 125 -13.167 -4.060 -1.583 1.00 0.00 N ATOM 1846 CA PHE A 125 -12.041 -3.367 -0.988 1.00 0.00 C ATOM 1847 C PHE A 125 -10.892 -3.289 -1.964 1.00 0.00 C ATOM 1848 O PHE A 125 -10.114 -4.225 -2.131 1.00 0.00 O ATOM 1849 CB PHE A 125 -11.579 -4.058 0.296 1.00 0.00 C ATOM 1850 CG PHE A 125 -12.530 -3.950 1.453 1.00 0.00 C ATOM 1851 CD1 PHE A 125 -13.573 -4.851 1.588 1.00 0.00 C ATOM 1852 CD2 PHE A 125 -12.374 -2.957 2.412 1.00 0.00 C ATOM 1853 CE1 PHE A 125 -14.445 -4.767 2.657 1.00 0.00 C ATOM 1854 CE2 PHE A 125 -13.243 -2.871 3.481 1.00 0.00 C ATOM 1855 CZ PHE A 125 -14.279 -3.776 3.605 1.00 0.00 C ATOM 0 H PHE A 125 -13.221 -5.056 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 125 -12.370 -2.358 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -11.409 -5.113 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -10.619 -3.635 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.706 -5.628 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -11.566 -2.246 2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -15.255 -5.475 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.113 -2.095 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 125 -14.958 -3.709 4.442 1.00 0.00 H new ATOM 1865 N ASN A 126 -10.823 -2.170 -2.620 1.00 0.00 N ATOM 1866 CA ASN A 126 -9.712 -1.878 -3.479 1.00 0.00 C ATOM 1867 C ASN A 126 -8.617 -1.197 -2.686 1.00 0.00 C ATOM 1868 O ASN A 126 -8.729 -1.026 -1.473 1.00 0.00 O ATOM 1869 CB ASN A 126 -10.146 -1.053 -4.681 1.00 0.00 C ATOM 1870 CG ASN A 126 -10.605 -1.938 -5.822 1.00 0.00 C ATOM 1871 OD1 ASN A 126 -10.550 -1.551 -6.991 1.00 0.00 O ATOM 1872 ND2 ASN A 126 -11.021 -3.152 -5.495 1.00 0.00 N ATOM 0 H ASN A 126 -11.530 -1.436 -2.577 1.00 0.00 H new ATOM 0 HA ASN A 126 -9.313 -2.813 -3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.955 -0.382 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.317 -0.428 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.311 -3.805 -6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.052 -3.434 -4.515 1.00 0.00 H new ATOM 1964 N THR A 133 -0.431 7.855 -11.649 1.00 0.00 N ATOM 1965 CA THR A 133 0.950 8.216 -11.365 1.00 0.00 C ATOM 1966 C THR A 133 1.025 9.255 -10.246 1.00 0.00 C ATOM 1967 O THR A 133 0.382 10.303 -10.314 1.00 0.00 O ATOM 1968 CB THR A 133 1.626 8.771 -12.631 1.00 0.00 C ATOM 1969 OG1 THR A 133 1.416 7.864 -13.722 1.00 0.00 O ATOM 1970 CG2 THR A 133 3.117 8.970 -12.418 1.00 0.00 C ATOM 0 HA THR A 133 1.473 7.316 -11.040 1.00 0.00 H new ATOM 0 HB THR A 133 1.181 9.740 -12.858 1.00 0.00 H new ATOM 0 HG1 THR A 133 0.554 7.412 -13.610 1.00 0.00 H new ATOM 0 HG21 THR A 133 3.566 9.363 -13.330 1.00 0.00 H new ATOM 0 HG22 THR A 133 3.277 9.675 -11.602 1.00 0.00 H new ATOM 0 HG23 THR A 133 3.580 8.015 -12.168 1.00 0.00 H new ATOM 1978 N VAL A 134 1.818 8.963 -9.222 1.00 0.00 N ATOM 1979 CA VAL A 134 1.882 9.816 -8.038 1.00 0.00 C ATOM 1980 C VAL A 134 3.321 10.083 -7.592 1.00 0.00 C ATOM 1981 O VAL A 134 4.198 9.234 -7.747 1.00 0.00 O ATOM 1982 CB VAL A 134 1.100 9.203 -6.859 1.00 0.00 C ATOM 1983 CG1 VAL A 134 -0.395 9.449 -7.000 1.00 0.00 C ATOM 1984 CG2 VAL A 134 1.381 7.711 -6.745 1.00 0.00 C ATOM 0 H VAL A 134 2.425 8.144 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 134 1.425 10.763 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 134 1.439 9.694 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -0.918 9.005 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -0.587 10.522 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.752 8.997 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 134 0.820 7.298 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.078 7.212 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 134 2.447 7.553 -6.581 1.00 0.00 H new ATOM 1994 N HIS A 135 3.554 11.281 -7.057 1.00 0.00 N ATOM 1995 CA HIS A 135 4.877 11.668 -6.560 1.00 0.00 C ATOM 1996 C HIS A 135 4.956 11.489 -5.045 1.00 0.00 C ATOM 1997 O HIS A 135 4.194 12.102 -4.306 1.00 0.00 O ATOM 1998 CB HIS A 135 5.173 13.138 -6.893 1.00 0.00 C ATOM 1999 CG HIS A 135 4.820 13.545 -8.292 1.00 0.00 C ATOM 2000 ND1 HIS A 135 5.712 13.518 -9.341 1.00 0.00 N ATOM 2001 CD2 HIS A 135 3.655 14.003 -8.807 1.00 0.00 C ATOM 2002 CE1 HIS A 135 5.111 13.943 -10.437 1.00 0.00 C ATOM 2003 NE2 HIS A 135 3.863 14.241 -10.140 1.00 0.00 N ATOM 0 H HIS A 135 2.842 12.004 -6.956 1.00 0.00 H new ATOM 0 HA HIS A 135 5.611 11.026 -7.046 1.00 0.00 H new ATOM 0 HB2 HIS A 135 4.626 13.772 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 135 6.234 13.327 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 135 2.732 14.153 -8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 135 5.566 14.031 -11.412 1.00 0.00 H new ATOM 0 HE2 HIS A 135 3.165 14.592 -10.796 1.00 0.00 H new ATOM 2012 N PHE A 136 5.874 10.663 -4.576 1.00 0.00 N ATOM 2013 CA PHE A 136 6.009 10.462 -3.136 1.00 0.00 C ATOM 2014 C PHE A 136 7.425 10.634 -2.622 1.00 0.00 C ATOM 2015 O PHE A 136 8.408 10.402 -3.329 1.00 0.00 O ATOM 2016 CB PHE A 136 5.450 9.108 -2.695 1.00 0.00 C ATOM 2017 CG PHE A 136 5.715 7.962 -3.627 1.00 0.00 C ATOM 2018 CD1 PHE A 136 4.914 7.766 -4.740 1.00 0.00 C ATOM 2019 CD2 PHE A 136 6.734 7.063 -3.373 1.00 0.00 C ATOM 2020 CE1 PHE A 136 5.124 6.698 -5.582 1.00 0.00 C ATOM 2021 CE2 PHE A 136 6.953 5.993 -4.216 1.00 0.00 C ATOM 2022 CZ PHE A 136 6.144 5.811 -5.321 1.00 0.00 C ATOM 0 H PHE A 136 6.525 10.130 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 136 5.413 11.256 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 136 5.868 8.863 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 136 4.372 9.205 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 136 4.114 8.461 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 136 7.364 7.199 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 136 4.490 6.556 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 136 7.755 5.299 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 136 6.312 4.972 -5.980 1.00 0.00 H new ATOM 2032 N ASP A 137 7.499 11.058 -1.365 1.00 0.00 N ATOM 2033 CA ASP A 137 8.752 11.180 -0.646 1.00 0.00 C ATOM 2034 C ASP A 137 8.888 9.972 0.247 1.00 0.00 C ATOM 2035 O ASP A 137 7.902 9.545 0.850 1.00 0.00 O ATOM 2036 CB ASP A 137 8.771 12.435 0.238 1.00 0.00 C ATOM 2037 CG ASP A 137 8.639 13.727 -0.534 1.00 0.00 C ATOM 2038 OD1 ASP A 137 7.505 14.086 -0.915 1.00 0.00 O ATOM 2039 OD2 ASP A 137 9.666 14.404 -0.743 1.00 0.00 O ATOM 0 H ASP A 137 6.682 11.328 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 137 9.568 11.252 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.959 12.371 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.702 12.455 0.805 1.00 0.00 H new ATOM 2044 N ILE A 138 10.081 9.426 0.359 1.00 0.00 N ATOM 2045 CA ILE A 138 10.294 8.254 1.202 1.00 0.00 C ATOM 2046 C ILE A 138 11.587 8.400 2.007 1.00 0.00 C ATOM 2047 O ILE A 138 12.627 8.783 1.466 1.00 0.00 O ATOM 2048 CB ILE A 138 10.320 6.955 0.360 1.00 0.00 C ATOM 2049 CG1 ILE A 138 8.913 6.656 -0.164 1.00 0.00 C ATOM 2050 CG2 ILE A 138 10.855 5.781 1.173 1.00 0.00 C ATOM 2051 CD1 ILE A 138 8.831 5.434 -1.044 1.00 0.00 C ATOM 0 H ILE A 138 10.916 9.767 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 138 9.458 8.184 1.898 1.00 0.00 H new ATOM 0 HB ILE A 138 10.993 7.100 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 138 8.241 6.526 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 138 8.555 7.519 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 138 10.861 4.883 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 138 11.870 6.000 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 138 10.217 5.619 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 138 7.802 5.291 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 138 9.475 5.568 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 138 9.157 4.559 -0.482 1.00 0.00 H new ATOM 2063 N GLU A 139 11.514 8.114 3.304 1.00 0.00 N ATOM 2064 CA GLU A 139 12.663 8.224 4.191 1.00 0.00 C ATOM 2065 C GLU A 139 13.201 6.854 4.544 1.00 0.00 C ATOM 2066 O GLU A 139 12.436 5.906 4.711 1.00 0.00 O ATOM 2067 CB GLU A 139 12.262 8.922 5.489 1.00 0.00 C ATOM 2068 CG GLU A 139 12.148 10.425 5.378 1.00 0.00 C ATOM 2069 CD GLU A 139 11.543 11.053 6.610 1.00 0.00 C ATOM 2070 OE1 GLU A 139 12.239 11.141 7.642 1.00 0.00 O ATOM 2071 OE2 GLU A 139 10.375 11.475 6.554 1.00 0.00 O ATOM 0 H GLU A 139 10.660 7.801 3.766 1.00 0.00 H new ATOM 0 HA GLU A 139 13.428 8.800 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 139 11.305 8.521 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.995 8.681 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.137 10.849 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.539 10.676 4.510 1.00 0.00 H new ATOM 2078 N VAL A 140 14.506 6.752 4.676 1.00 0.00 N ATOM 2079 CA VAL A 140 15.098 5.552 5.231 1.00 0.00 C ATOM 2080 C VAL A 140 15.380 5.794 6.698 1.00 0.00 C ATOM 2081 O VAL A 140 16.335 6.490 7.051 1.00 0.00 O ATOM 2082 CB VAL A 140 16.412 5.160 4.532 1.00 0.00 C ATOM 2083 CG1 VAL A 140 16.915 3.826 5.060 1.00 0.00 C ATOM 2084 CG2 VAL A 140 16.226 5.103 3.030 1.00 0.00 C ATOM 0 H VAL A 140 15.172 7.477 4.410 1.00 0.00 H new ATOM 0 HA VAL A 140 14.393 4.733 5.084 1.00 0.00 H new ATOM 0 HB VAL A 140 17.158 5.923 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 140 17.845 3.562 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 140 17.093 3.903 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 140 16.168 3.055 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 140 17.168 4.824 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 140 15.464 4.363 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 140 15.912 6.081 2.665 1.00 0.00 H new ATOM 2094 N LEU A 141 14.559 5.220 7.555 1.00 0.00 N ATOM 2095 CA LEU A 141 14.728 5.423 8.978 1.00 0.00 C ATOM 2096 C LEU A 141 15.613 4.330 9.539 1.00 0.00 C ATOM 2097 O LEU A 141 16.594 4.600 10.231 1.00 0.00 O ATOM 2098 CB LEU A 141 13.373 5.411 9.684 1.00 0.00 C ATOM 2099 CG LEU A 141 12.316 6.361 9.117 1.00 0.00 C ATOM 2100 CD1 LEU A 141 11.076 6.326 9.994 1.00 0.00 C ATOM 2101 CD2 LEU A 141 12.856 7.783 8.995 1.00 0.00 C ATOM 0 H LEU A 141 13.778 4.617 7.295 1.00 0.00 H new ATOM 0 HA LEU A 141 15.195 6.393 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 141 12.977 4.396 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 141 13.530 5.658 10.734 1.00 0.00 H new ATOM 0 HG LEU A 141 12.052 6.028 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.324 7.003 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.676 5.312 10.018 1.00 0.00 H new ATOM 0 HD13 LEU A 141 11.337 6.637 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 141 12.081 8.433 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 141 13.154 8.145 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 141 13.719 7.789 8.329 1.00 0.00 H new ATOM 2113 N GLU A 142 15.252 3.095 9.240 1.00 0.00 N ATOM 2114 CA GLU A 142 16.114 1.957 9.508 1.00 0.00 C ATOM 2115 C GLU A 142 15.830 0.860 8.487 1.00 0.00 C ATOM 2116 O GLU A 142 14.708 0.737 8.010 1.00 0.00 O ATOM 2117 CB GLU A 142 15.867 1.452 10.933 1.00 0.00 C ATOM 2118 CG GLU A 142 16.703 0.248 11.323 1.00 0.00 C ATOM 2119 CD GLU A 142 16.394 -0.243 12.720 1.00 0.00 C ATOM 2120 OE1 GLU A 142 15.464 -1.061 12.875 1.00 0.00 O ATOM 2121 OE2 GLU A 142 17.077 0.180 13.671 1.00 0.00 O ATOM 0 H GLU A 142 14.360 2.853 8.808 1.00 0.00 H new ATOM 0 HA GLU A 142 17.160 2.252 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.070 2.262 11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.813 1.197 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.528 -0.558 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.760 0.507 11.258 1.00 0.00 H new ATOM 2128 N ILE A 143 16.837 0.080 8.141 1.00 0.00 N ATOM 2129 CA ILE A 143 16.672 -0.969 7.144 1.00 0.00 C ATOM 2130 C ILE A 143 16.583 -2.330 7.825 1.00 0.00 C ATOM 2131 O ILE A 143 17.328 -2.616 8.762 1.00 0.00 O ATOM 2132 CB ILE A 143 17.827 -0.938 6.118 1.00 0.00 C ATOM 2133 CG1 ILE A 143 17.831 0.417 5.414 1.00 0.00 C ATOM 2134 CG2 ILE A 143 17.702 -2.067 5.094 1.00 0.00 C ATOM 2135 CD1 ILE A 143 19.099 0.709 4.654 1.00 0.00 C ATOM 0 H ILE A 143 17.776 0.150 8.532 1.00 0.00 H new ATOM 0 HA ILE A 143 15.743 -0.792 6.603 1.00 0.00 H new ATOM 0 HB ILE A 143 18.768 -1.085 6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 143 16.988 0.459 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 143 17.675 1.201 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 143 18.532 -2.013 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 143 17.725 -3.028 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 143 16.760 -1.966 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 143 19.023 1.689 4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 143 19.945 0.701 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 143 19.247 -0.052 3.888 1.00 0.00 H new ATOM 2147 N ASP A 144 15.645 -3.145 7.368 1.00 0.00 N ATOM 2148 CA ASP A 144 15.399 -4.456 7.955 1.00 0.00 C ATOM 2149 C ASP A 144 16.468 -5.440 7.489 1.00 0.00 C ATOM 2150 O ASP A 144 16.781 -5.500 6.299 1.00 0.00 O ATOM 2151 CB ASP A 144 14.003 -4.938 7.553 1.00 0.00 C ATOM 2152 CG ASP A 144 13.590 -6.230 8.229 1.00 0.00 C ATOM 2153 OD1 ASP A 144 13.249 -6.198 9.431 1.00 0.00 O ATOM 2154 OD2 ASP A 144 13.582 -7.281 7.556 1.00 0.00 O ATOM 0 H ASP A 144 15.034 -2.919 6.583 1.00 0.00 H new ATOM 0 HA ASP A 144 15.447 -4.389 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 144 13.276 -4.163 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 144 13.973 -5.077 6.472 1.00 0.00 H new ATOM 2159 N PRO A 145 17.035 -6.225 8.423 1.00 0.00 N ATOM 2160 CA PRO A 145 18.180 -7.101 8.152 1.00 0.00 C ATOM 2161 C PRO A 145 17.923 -8.083 7.023 1.00 0.00 C ATOM 2162 O PRO A 145 16.927 -8.808 7.017 1.00 0.00 O ATOM 2163 CB PRO A 145 18.389 -7.852 9.466 1.00 0.00 C ATOM 2164 CG PRO A 145 17.093 -7.719 10.173 1.00 0.00 C ATOM 2165 CD PRO A 145 16.588 -6.355 9.813 1.00 0.00 C ATOM 0 HA PRO A 145 19.047 -6.524 7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 145 18.641 -8.898 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 145 19.205 -7.420 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 145 16.393 -8.493 9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 145 17.220 -7.820 11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 145 15.504 -6.284 9.902 1.00 0.00 H new ATOM 0 HD3 PRO A 145 17.012 -5.581 10.453 1.00 0.00 H new