USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl 134:sc= -1.52 (180deg=-1.89) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.43) USER MOD Single : A 7 GLN : amide:sc= -6.53 K(o=-6.5,f=-9.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 103:sc= 0.133 USER MOD Single : A 39 THR OG1 : rot 160:sc= 0.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 166:sc= -2.67 (180deg=-4.15!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -8.63! C(o=-8.6!,f=-16!) USER MOD Single : A 52 ASN : amide:sc= -5.74! C(o=-5.7!,f=-10!) USER MOD Single : A 54 THR OG1 : rot -162:sc= -1.36 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 135:sc= 1.03! USER MOD Single : A 81 MET CE :methyl -152:sc= -8.32! (180deg=-10.1!) USER MOD Single : A 82 MET CE :methyl 173:sc= -5.83! (180deg=-6.19!) USER MOD Single : A 85 GLN :FLIP amide:sc= -3.16! C(o=-4.6!,f=-3.2!) USER MOD Single : A 86 MET CE :methyl -121:sc= -0.943 (180deg=-3.28!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 65.002 -6.641 -10.765 1.00 0.00 N ATOM 25 CA MET A 3 65.029 -5.670 -9.635 1.00 0.00 C ATOM 26 C MET A 3 63.777 -4.790 -9.663 1.00 0.00 C ATOM 27 O MET A 3 63.084 -4.649 -8.676 1.00 0.00 O ATOM 28 CB MET A 3 66.285 -4.828 -9.865 1.00 0.00 C ATOM 29 CG MET A 3 67.440 -5.399 -9.041 1.00 0.00 C ATOM 30 SD MET A 3 68.070 -4.124 -7.921 1.00 0.00 S ATOM 31 CE MET A 3 68.606 -2.951 -9.190 1.00 0.00 C ATOM 0 HA MET A 3 65.045 -6.166 -8.665 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.546 -4.826 -10.923 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.099 -3.792 -9.581 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.101 -6.264 -8.471 1.00 0.00 H new ATOM 0 HG3 MET A 3 68.236 -5.744 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.270 -1.949 -8.924 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.694 -2.963 -9.260 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.177 -3.234 -10.151 1.00 0.00 H new ATOM 41 N THR A 4 63.484 -4.197 -10.787 1.00 0.00 N ATOM 42 CA THR A 4 62.275 -3.327 -10.876 1.00 0.00 C ATOM 43 C THR A 4 61.037 -4.096 -10.409 1.00 0.00 C ATOM 44 O THR A 4 60.037 -3.515 -10.033 1.00 0.00 O ATOM 45 CB THR A 4 62.155 -2.964 -12.357 1.00 0.00 C ATOM 46 OG1 THR A 4 61.191 -1.932 -12.512 1.00 0.00 O ATOM 47 CG2 THR A 4 61.719 -4.196 -13.153 1.00 0.00 C ATOM 0 H THR A 4 64.027 -4.276 -11.647 1.00 0.00 H new ATOM 0 HA THR A 4 62.356 -2.441 -10.246 1.00 0.00 H new ATOM 0 HB THR A 4 63.121 -2.619 -12.727 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.113 -1.697 -13.460 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.634 -3.936 -14.208 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.459 -4.987 -13.033 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.753 -4.543 -12.786 1.00 0.00 H new ATOM 55 N ASP A 5 61.095 -5.400 -10.429 1.00 0.00 N ATOM 56 CA ASP A 5 59.922 -6.206 -9.985 1.00 0.00 C ATOM 57 C ASP A 5 59.931 -6.361 -8.462 1.00 0.00 C ATOM 58 O ASP A 5 58.902 -6.316 -7.818 1.00 0.00 O ATOM 59 CB ASP A 5 60.098 -7.566 -10.662 1.00 0.00 C ATOM 60 CG ASP A 5 58.754 -8.296 -10.697 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.761 -7.686 -10.336 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.740 -9.453 -11.086 1.00 0.00 O ATOM 0 H ASP A 5 61.904 -5.942 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 5 58.975 -5.737 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.478 -7.433 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.833 -8.161 -10.121 1.00 0.00 H new ATOM 67 N GLN A 6 61.086 -6.543 -7.881 1.00 0.00 N ATOM 68 CA GLN A 6 61.159 -6.698 -6.400 1.00 0.00 C ATOM 69 C GLN A 6 60.709 -5.409 -5.711 1.00 0.00 C ATOM 70 O GLN A 6 60.369 -5.402 -4.544 1.00 0.00 O ATOM 71 CB GLN A 6 62.633 -6.981 -6.104 1.00 0.00 C ATOM 72 CG GLN A 6 62.748 -8.227 -5.223 1.00 0.00 C ATOM 73 CD GLN A 6 63.649 -9.255 -5.909 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.721 -8.927 -6.375 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.255 -10.497 -5.991 1.00 0.00 N ATOM 0 H GLN A 6 61.981 -6.591 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 6 60.511 -7.494 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.180 -7.130 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.085 -6.125 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.158 -7.960 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.760 -8.653 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 6 62.354 -10.773 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.848 -11.191 -6.446 1.00 0.00 H new ATOM 84 N GLN A 7 60.703 -4.315 -6.424 1.00 0.00 N ATOM 85 CA GLN A 7 60.274 -3.027 -5.809 1.00 0.00 C ATOM 86 C GLN A 7 58.805 -3.108 -5.384 1.00 0.00 C ATOM 87 O GLN A 7 58.457 -2.809 -4.259 1.00 0.00 O ATOM 88 CB GLN A 7 60.456 -1.984 -6.911 1.00 0.00 C ATOM 89 CG GLN A 7 60.979 -0.681 -6.302 1.00 0.00 C ATOM 90 CD GLN A 7 59.900 0.400 -6.402 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.551 1.019 -5.416 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.353 0.654 -7.559 1.00 0.00 N ATOM 0 H GLN A 7 60.976 -4.258 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 7 60.850 -2.782 -4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.154 -2.352 -7.663 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.507 -1.806 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.254 -0.840 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.880 -0.359 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 7 59.646 0.135 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.633 1.372 -7.636 1.00 0.00 H new ATOM 101 N ALA A 8 57.941 -3.509 -6.275 1.00 0.00 N ATOM 102 CA ALA A 8 56.495 -3.604 -5.923 1.00 0.00 C ATOM 103 C ALA A 8 56.320 -4.329 -4.585 1.00 0.00 C ATOM 104 O ALA A 8 55.782 -3.786 -3.641 1.00 0.00 O ATOM 105 CB ALA A 8 55.864 -4.414 -7.057 1.00 0.00 C ATOM 0 H ALA A 8 58.173 -3.775 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 8 56.032 -2.623 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.796 -4.529 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.014 -3.894 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.332 -5.397 -7.105 1.00 0.00 H new ATOM 111 N GLU A 9 56.769 -5.551 -4.496 1.00 0.00 N ATOM 112 CA GLU A 9 56.624 -6.305 -3.219 1.00 0.00 C ATOM 113 C GLU A 9 57.548 -5.718 -2.147 1.00 0.00 C ATOM 114 O GLU A 9 57.430 -6.024 -0.977 1.00 0.00 O ATOM 115 CB GLU A 9 57.037 -7.738 -3.556 1.00 0.00 C ATOM 116 CG GLU A 9 55.894 -8.695 -3.214 1.00 0.00 C ATOM 117 CD GLU A 9 56.247 -9.483 -1.950 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.253 -10.172 -1.968 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.504 -9.384 -0.987 1.00 0.00 O ATOM 0 H GLU A 9 57.229 -6.059 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 9 55.609 -6.255 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.286 -7.816 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.932 -8.010 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.971 -8.136 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.718 -9.379 -4.044 1.00 0.00 H new ATOM 126 N ALA A 10 58.466 -4.875 -2.537 1.00 0.00 N ATOM 127 CA ALA A 10 59.394 -4.272 -1.539 1.00 0.00 C ATOM 128 C ALA A 10 58.706 -3.119 -0.800 1.00 0.00 C ATOM 129 O ALA A 10 58.801 -2.998 0.404 1.00 0.00 O ATOM 130 CB ALA A 10 60.578 -3.758 -2.358 1.00 0.00 C ATOM 0 H ALA A 10 58.613 -4.579 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 10 59.706 -4.990 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.308 -3.298 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.043 -4.590 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.228 -3.019 -3.079 1.00 0.00 H new ATOM 136 N ARG A 11 58.014 -2.270 -1.512 1.00 0.00 N ATOM 137 CA ARG A 11 57.323 -1.128 -0.844 1.00 0.00 C ATOM 138 C ARG A 11 56.124 -1.642 -0.044 1.00 0.00 C ATOM 139 O ARG A 11 55.912 -1.265 1.091 1.00 0.00 O ATOM 140 CB ARG A 11 56.844 -0.218 -1.979 1.00 0.00 C ATOM 141 CG ARG A 11 57.943 -0.066 -3.035 1.00 0.00 C ATOM 142 CD ARG A 11 57.390 -0.483 -4.399 1.00 0.00 C ATOM 143 NE ARG A 11 56.832 0.766 -4.985 1.00 0.00 N ATOM 144 CZ ARG A 11 55.741 1.286 -4.494 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.727 0.519 -4.201 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.664 2.573 -4.294 1.00 0.00 N ATOM 0 H ARG A 11 57.897 -2.317 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 11 57.981 -0.602 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.946 -0.635 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.574 0.760 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.290 0.967 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.803 -0.683 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.173 -0.901 -5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.621 -1.249 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 11 57.303 1.215 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.787 -0.487 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.874 0.926 -3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.457 3.173 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.811 2.979 -3.910 1.00 0.00 H new ATOM 160 N ALA A 12 55.337 -2.497 -0.635 1.00 0.00 N ATOM 161 CA ALA A 12 54.146 -3.039 0.078 1.00 0.00 C ATOM 162 C ALA A 12 54.573 -4.052 1.145 1.00 0.00 C ATOM 163 O ALA A 12 53.751 -4.622 1.836 1.00 0.00 O ATOM 164 CB ALA A 12 53.322 -3.724 -1.014 1.00 0.00 C ATOM 0 H ALA A 12 55.468 -2.845 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 12 53.583 -2.262 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.421 -4.153 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.043 -2.992 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.914 -4.515 -1.474 1.00 0.00 H new ATOM 170 N PHE A 13 55.850 -4.282 1.288 1.00 0.00 N ATOM 171 CA PHE A 13 56.320 -5.258 2.313 1.00 0.00 C ATOM 172 C PHE A 13 55.834 -4.838 3.702 1.00 0.00 C ATOM 173 O PHE A 13 55.584 -5.662 4.559 1.00 0.00 O ATOM 174 CB PHE A 13 57.847 -5.204 2.244 1.00 0.00 C ATOM 175 CG PHE A 13 58.431 -5.920 3.438 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.263 -7.304 3.574 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.142 -5.203 4.409 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.806 -7.969 4.680 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.684 -5.869 5.516 1.00 0.00 C ATOM 180 CZ PHE A 13 59.515 -7.252 5.650 1.00 0.00 C ATOM 0 H PHE A 13 56.587 -3.837 0.741 1.00 0.00 H new ATOM 0 HA PHE A 13 55.939 -6.263 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.197 -5.668 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.184 -4.168 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.715 -7.858 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.272 -4.136 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.677 -9.036 4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.231 -5.316 6.265 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.932 -7.766 6.503 1.00 0.00 H new ATOM 190 N LEU A 14 55.701 -3.561 3.930 1.00 0.00 N ATOM 191 CA LEU A 14 55.234 -3.084 5.264 1.00 0.00 C ATOM 192 C LEU A 14 54.088 -2.082 5.097 1.00 0.00 C ATOM 193 O LEU A 14 53.846 -1.573 4.021 1.00 0.00 O ATOM 194 CB LEU A 14 56.452 -2.409 5.904 1.00 0.00 C ATOM 195 CG LEU A 14 57.229 -1.619 4.847 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.371 -0.462 4.335 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.510 -1.064 5.472 1.00 0.00 C ATOM 0 H LEU A 14 55.895 -2.826 3.250 1.00 0.00 H new ATOM 0 HA LEU A 14 54.856 -3.900 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.130 -1.742 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.099 -3.161 6.356 1.00 0.00 H new ATOM 0 HG LEU A 14 57.481 -2.277 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 14 56.927 0.098 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.456 -0.856 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.117 0.198 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.066 -0.501 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.254 -0.407 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 14 59.124 -1.888 5.836 1.00 0.00 H new ATOM 209 N SER A 15 53.377 -1.797 6.154 1.00 0.00 N ATOM 210 CA SER A 15 52.247 -0.830 6.056 1.00 0.00 C ATOM 211 C SER A 15 52.778 0.579 5.776 1.00 0.00 C ATOM 212 O SER A 15 53.969 0.818 5.793 1.00 0.00 O ATOM 213 CB SER A 15 51.561 -0.884 7.420 1.00 0.00 C ATOM 214 OG SER A 15 52.430 -0.341 8.404 1.00 0.00 O ATOM 0 H SER A 15 53.530 -2.192 7.082 1.00 0.00 H new ATOM 0 HA SER A 15 51.562 -1.077 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.627 -0.322 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.306 -1.914 7.671 1.00 0.00 H new ATOM 0 HG SER A 15 51.992 -0.372 9.280 1.00 0.00 H new ATOM 220 N GLU A 16 51.904 1.512 5.514 1.00 0.00 N ATOM 221 CA GLU A 16 52.361 2.904 5.228 1.00 0.00 C ATOM 222 C GLU A 16 53.018 3.517 6.468 1.00 0.00 C ATOM 223 O GLU A 16 53.726 4.500 6.384 1.00 0.00 O ATOM 224 CB GLU A 16 51.090 3.673 4.864 1.00 0.00 C ATOM 225 CG GLU A 16 51.439 5.139 4.603 1.00 0.00 C ATOM 226 CD GLU A 16 50.232 5.850 3.988 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.214 5.931 4.657 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.344 6.299 2.861 1.00 0.00 O ATOM 0 H GLU A 16 50.894 1.372 5.485 1.00 0.00 H new ATOM 0 HA GLU A 16 53.102 2.935 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.628 3.235 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.363 3.599 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.726 5.627 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.295 5.206 3.931 1.00 0.00 H new ATOM 235 N GLU A 17 52.791 2.946 7.620 1.00 0.00 N ATOM 236 CA GLU A 17 53.406 3.504 8.859 1.00 0.00 C ATOM 237 C GLU A 17 54.933 3.483 8.745 1.00 0.00 C ATOM 238 O GLU A 17 55.583 4.509 8.787 1.00 0.00 O ATOM 239 CB GLU A 17 52.938 2.586 9.988 1.00 0.00 C ATOM 240 CG GLU A 17 52.862 3.382 11.293 1.00 0.00 C ATOM 241 CD GLU A 17 51.397 3.623 11.661 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.674 2.651 11.798 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.024 4.777 11.798 1.00 0.00 O ATOM 0 H GLU A 17 52.208 2.120 7.757 1.00 0.00 H new ATOM 0 HA GLU A 17 53.114 4.540 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.961 2.166 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.627 1.749 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.364 2.837 12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.381 4.334 11.181 1.00 0.00 H new ATOM 250 N MET A 18 55.510 2.321 8.601 1.00 0.00 N ATOM 251 CA MET A 18 56.994 2.234 8.485 1.00 0.00 C ATOM 252 C MET A 18 57.487 3.123 7.339 1.00 0.00 C ATOM 253 O MET A 18 58.455 3.845 7.474 1.00 0.00 O ATOM 254 CB MET A 18 57.283 0.763 8.186 1.00 0.00 C ATOM 255 CG MET A 18 58.792 0.518 8.232 1.00 0.00 C ATOM 256 SD MET A 18 59.138 -0.922 9.272 1.00 0.00 S ATOM 257 CE MET A 18 59.206 -0.049 10.856 1.00 0.00 C ATOM 0 H MET A 18 55.018 1.428 8.559 1.00 0.00 H new ATOM 0 HA MET A 18 57.500 2.572 9.389 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.779 0.127 8.914 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.891 0.497 7.204 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.175 0.353 7.225 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.302 1.396 8.627 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.413 -0.761 11.655 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.996 0.701 10.824 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.250 0.439 11.044 1.00 0.00 H new ATOM 267 N ILE A 19 56.832 3.074 6.211 1.00 0.00 N ATOM 268 CA ILE A 19 57.266 3.916 5.059 1.00 0.00 C ATOM 269 C ILE A 19 57.546 5.347 5.525 1.00 0.00 C ATOM 270 O ILE A 19 58.506 5.968 5.114 1.00 0.00 O ATOM 271 CB ILE A 19 56.091 3.891 4.081 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.919 2.474 3.528 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.366 4.856 2.928 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.930 2.498 2.360 1.00 0.00 C ATOM 0 H ILE A 19 56.016 2.488 6.037 1.00 0.00 H new ATOM 0 HA ILE A 19 58.183 3.546 4.601 1.00 0.00 H new ATOM 0 HB ILE A 19 55.181 4.194 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.881 2.083 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.557 1.808 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.528 4.838 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.490 5.865 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.276 4.554 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.808 1.489 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.967 2.872 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.311 3.150 1.574 1.00 0.00 H new ATOM 286 N ALA A 20 56.714 5.877 6.381 1.00 0.00 N ATOM 287 CA ALA A 20 56.933 7.267 6.871 1.00 0.00 C ATOM 288 C ALA A 20 58.135 7.311 7.818 1.00 0.00 C ATOM 289 O ALA A 20 58.667 8.363 8.112 1.00 0.00 O ATOM 290 CB ALA A 20 55.650 7.630 7.618 1.00 0.00 C ATOM 0 H ALA A 20 55.893 5.407 6.762 1.00 0.00 H new ATOM 0 HA ALA A 20 57.143 7.963 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.732 8.643 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.803 7.573 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.499 6.932 8.442 1.00 0.00 H new ATOM 296 N GLU A 21 58.567 6.176 8.296 1.00 0.00 N ATOM 297 CA GLU A 21 59.734 6.155 9.224 1.00 0.00 C ATOM 298 C GLU A 21 61.042 6.218 8.430 1.00 0.00 C ATOM 299 O GLU A 21 61.911 7.020 8.710 1.00 0.00 O ATOM 300 CB GLU A 21 59.622 4.827 9.972 1.00 0.00 C ATOM 301 CG GLU A 21 60.839 4.648 10.881 1.00 0.00 C ATOM 302 CD GLU A 21 60.532 5.226 12.263 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.783 6.186 12.330 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.051 4.698 13.234 1.00 0.00 O ATOM 0 H GLU A 21 58.163 5.263 8.085 1.00 0.00 H new ATOM 0 HA GLU A 21 59.736 7.006 9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.707 4.807 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.561 4.002 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.091 3.591 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.705 5.149 10.450 1.00 0.00 H new ATOM 311 N PHE A 22 61.190 5.378 7.443 1.00 0.00 N ATOM 312 CA PHE A 22 62.443 5.392 6.634 1.00 0.00 C ATOM 313 C PHE A 22 62.471 6.625 5.728 1.00 0.00 C ATOM 314 O PHE A 22 63.505 7.006 5.214 1.00 0.00 O ATOM 315 CB PHE A 22 62.392 4.112 5.798 1.00 0.00 C ATOM 316 CG PHE A 22 62.194 2.916 6.701 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.553 2.987 8.054 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.653 1.733 6.183 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.369 1.877 8.886 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.469 0.623 7.015 1.00 0.00 C ATOM 321 CZ PHE A 22 61.828 0.695 8.367 1.00 0.00 C ATOM 0 H PHE A 22 60.499 4.683 7.161 1.00 0.00 H new ATOM 0 HA PHE A 22 63.336 5.434 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.578 4.172 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.316 4.001 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.972 3.898 8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.377 1.677 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.644 1.932 9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.050 -0.289 6.615 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.687 -0.162 9.009 1.00 0.00 H new ATOM 331 N LYS A 23 61.344 7.252 5.527 1.00 0.00 N ATOM 332 CA LYS A 23 61.309 8.460 4.653 1.00 0.00 C ATOM 333 C LYS A 23 62.180 9.570 5.248 1.00 0.00 C ATOM 334 O LYS A 23 63.204 9.928 4.702 1.00 0.00 O ATOM 335 CB LYS A 23 59.840 8.885 4.629 1.00 0.00 C ATOM 336 CG LYS A 23 59.574 9.730 3.380 1.00 0.00 C ATOM 337 CD LYS A 23 59.989 8.945 2.134 1.00 0.00 C ATOM 338 CE LYS A 23 59.199 9.451 0.925 1.00 0.00 C ATOM 339 NZ LYS A 23 59.907 10.688 0.493 1.00 0.00 N ATOM 0 H LYS A 23 60.447 6.981 5.929 1.00 0.00 H new ATOM 0 HA LYS A 23 61.693 8.259 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.196 8.006 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.601 9.457 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.517 9.991 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.131 10.665 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.058 9.061 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.804 7.881 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.179 8.708 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.163 9.661 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.423 11.094 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.904 11.379 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.889 10.456 0.240 1.00 0.00 H new ATOM 353 N ALA A 24 61.782 10.116 6.365 1.00 0.00 N ATOM 354 CA ALA A 24 62.589 11.203 6.992 1.00 0.00 C ATOM 355 C ALA A 24 64.001 10.699 7.305 1.00 0.00 C ATOM 356 O ALA A 24 64.937 11.468 7.402 1.00 0.00 O ATOM 357 CB ALA A 24 61.848 11.553 8.282 1.00 0.00 C ATOM 0 H ALA A 24 60.934 9.857 6.870 1.00 0.00 H new ATOM 0 HA ALA A 24 62.697 12.067 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.381 12.348 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.839 11.889 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.795 10.672 8.922 1.00 0.00 H new ATOM 363 N ALA A 25 64.161 9.414 7.462 1.00 0.00 N ATOM 364 CA ALA A 25 65.513 8.862 7.769 1.00 0.00 C ATOM 365 C ALA A 25 66.314 8.676 6.478 1.00 0.00 C ATOM 366 O ALA A 25 67.502 8.926 6.432 1.00 0.00 O ATOM 367 CB ALA A 25 65.246 7.512 8.435 1.00 0.00 C ATOM 0 H ALA A 25 63.415 8.722 7.391 1.00 0.00 H new ATOM 0 HA ALA A 25 66.095 9.525 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.194 7.040 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.658 7.663 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.696 6.870 7.748 1.00 0.00 H new ATOM 373 N PHE A 26 65.673 8.240 5.428 1.00 0.00 N ATOM 374 CA PHE A 26 66.399 8.039 4.142 1.00 0.00 C ATOM 375 C PHE A 26 66.965 9.371 3.641 1.00 0.00 C ATOM 376 O PHE A 26 68.029 9.424 3.057 1.00 0.00 O ATOM 377 CB PHE A 26 65.345 7.505 3.171 1.00 0.00 C ATOM 378 CG PHE A 26 65.915 7.478 1.774 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.039 8.667 1.045 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.320 6.264 1.207 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.569 8.641 -0.251 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.850 6.238 -0.089 1.00 0.00 C ATOM 383 CZ PHE A 26 66.974 7.427 -0.818 1.00 0.00 C ATOM 0 H PHE A 26 64.679 8.014 5.405 1.00 0.00 H new ATOM 0 HA PHE A 26 67.241 7.355 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.036 6.503 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.456 8.135 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.726 9.604 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.224 5.347 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.665 9.558 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.163 5.301 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.382 7.407 -1.818 1.00 0.00 H new ATOM 393 N ASP A 27 66.260 10.446 3.865 1.00 0.00 N ATOM 394 CA ASP A 27 66.757 11.773 3.401 1.00 0.00 C ATOM 395 C ASP A 27 67.969 12.206 4.231 1.00 0.00 C ATOM 396 O ASP A 27 68.588 13.215 3.963 1.00 0.00 O ATOM 397 CB ASP A 27 65.587 12.732 3.619 1.00 0.00 C ATOM 398 CG ASP A 27 65.282 13.473 2.315 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.713 13.003 1.276 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.623 14.497 2.380 1.00 0.00 O ATOM 0 H ASP A 27 65.362 10.463 4.349 1.00 0.00 H new ATOM 0 HA ASP A 27 67.078 11.752 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.707 12.180 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.830 13.445 4.406 1.00 0.00 H new ATOM 405 N MET A 28 68.310 11.450 5.238 1.00 0.00 N ATOM 406 CA MET A 28 69.482 11.820 6.083 1.00 0.00 C ATOM 407 C MET A 28 70.729 11.992 5.211 1.00 0.00 C ATOM 408 O MET A 28 71.665 12.674 5.578 1.00 0.00 O ATOM 409 CB MET A 28 69.661 10.647 7.049 1.00 0.00 C ATOM 410 CG MET A 28 68.574 10.699 8.123 1.00 0.00 C ATOM 411 SD MET A 28 68.878 12.107 9.221 1.00 0.00 S ATOM 412 CE MET A 28 67.733 11.622 10.535 1.00 0.00 C ATOM 0 H MET A 28 67.829 10.593 5.513 1.00 0.00 H new ATOM 0 HA MET A 28 69.330 12.762 6.610 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.606 9.703 6.506 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.647 10.691 7.512 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.592 10.792 7.658 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.569 9.772 8.696 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.759 12.364 11.333 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.722 11.558 10.132 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.027 10.651 10.934 1.00 0.00 H new ATOM 422 N PHE A 29 70.751 11.373 4.062 1.00 0.00 N ATOM 423 CA PHE A 29 71.942 11.498 3.169 1.00 0.00 C ATOM 424 C PHE A 29 71.517 12.029 1.797 1.00 0.00 C ATOM 425 O PHE A 29 72.033 11.621 0.776 1.00 0.00 O ATOM 426 CB PHE A 29 72.511 10.080 3.037 1.00 0.00 C ATOM 427 CG PHE A 29 72.342 9.332 4.339 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.332 9.404 5.325 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.187 8.573 4.561 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.167 8.716 6.533 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.023 7.885 5.766 1.00 0.00 C ATOM 432 CZ PHE A 29 72.012 7.954 6.754 1.00 0.00 C ATOM 0 H PHE A 29 69.998 10.787 3.702 1.00 0.00 H new ATOM 0 HA PHE A 29 72.680 12.192 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.001 9.548 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.567 10.126 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.223 9.990 5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.422 8.519 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.930 8.773 7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.132 7.299 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.885 7.421 7.685 1.00 0.00 H new ATOM 442 N ASP A 30 70.578 12.934 1.765 1.00 0.00 N ATOM 443 CA ASP A 30 70.121 13.487 0.457 1.00 0.00 C ATOM 444 C ASP A 30 71.250 14.277 -0.208 1.00 0.00 C ATOM 445 O ASP A 30 71.174 15.480 -0.358 1.00 0.00 O ATOM 446 CB ASP A 30 68.953 14.408 0.803 1.00 0.00 C ATOM 447 CG ASP A 30 69.471 15.622 1.575 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.004 15.429 2.655 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.327 16.725 1.073 1.00 0.00 O ATOM 0 H ASP A 30 70.107 13.315 2.586 1.00 0.00 H new ATOM 0 HA ASP A 30 69.829 12.704 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.449 14.731 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.217 13.870 1.401 1.00 0.00 H new ATOM 490 N GLY A 35 65.453 12.066 -3.631 1.00 0.00 N ATOM 491 CA GLY A 35 65.064 10.775 -2.997 1.00 0.00 C ATOM 492 C GLY A 35 66.132 9.720 -3.285 1.00 0.00 C ATOM 493 O GLY A 35 65.859 8.537 -3.313 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.949 10.907 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.099 10.445 -3.382 1.00 0.00 H new ATOM 497 N ASP A 36 67.349 10.139 -3.501 1.00 0.00 N ATOM 498 CA ASP A 36 68.433 9.158 -3.788 1.00 0.00 C ATOM 499 C ASP A 36 69.758 9.641 -3.191 1.00 0.00 C ATOM 500 O ASP A 36 70.230 10.719 -3.495 1.00 0.00 O ATOM 501 CB ASP A 36 68.525 9.100 -5.314 1.00 0.00 C ATOM 502 CG ASP A 36 68.494 10.520 -5.884 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.719 11.446 -5.123 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.248 10.655 -7.071 1.00 0.00 O ATOM 0 H ASP A 36 67.639 11.117 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 36 68.226 8.180 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.444 8.597 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.696 8.517 -5.717 1.00 0.00 H new ATOM 509 N ILE A 37 70.360 8.852 -2.346 1.00 0.00 N ATOM 510 CA ILE A 37 71.655 9.266 -1.732 1.00 0.00 C ATOM 511 C ILE A 37 72.821 8.609 -2.475 1.00 0.00 C ATOM 512 O ILE A 37 72.633 7.724 -3.286 1.00 0.00 O ATOM 513 CB ILE A 37 71.586 8.766 -0.289 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.697 7.240 -0.273 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.254 9.184 0.335 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.717 6.745 1.173 1.00 0.00 C ATOM 0 H ILE A 37 70.013 7.939 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 37 71.813 10.343 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 37 72.407 9.198 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.857 6.798 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.604 6.925 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.206 8.827 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.172 10.271 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.433 8.753 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.796 5.658 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.572 7.176 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.797 7.047 1.674 1.00 0.00 H new ATOM 528 N SER A 38 74.025 9.033 -2.206 1.00 0.00 N ATOM 529 CA SER A 38 75.198 8.428 -2.900 1.00 0.00 C ATOM 530 C SER A 38 75.202 6.910 -2.698 1.00 0.00 C ATOM 531 O SER A 38 75.011 6.420 -1.602 1.00 0.00 O ATOM 532 CB SER A 38 76.422 9.059 -2.236 1.00 0.00 C ATOM 533 OG SER A 38 76.120 10.400 -1.875 1.00 0.00 O ATOM 0 H SER A 38 74.248 9.770 -1.537 1.00 0.00 H new ATOM 0 HA SER A 38 75.181 8.608 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.706 8.487 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.272 9.036 -2.918 1.00 0.00 H new ATOM 0 HG SER A 38 75.950 10.449 -0.911 1.00 0.00 H new ATOM 539 N THR A 39 75.415 6.161 -3.745 1.00 0.00 N ATOM 540 CA THR A 39 75.428 4.676 -3.606 1.00 0.00 C ATOM 541 C THR A 39 76.385 4.265 -2.485 1.00 0.00 C ATOM 542 O THR A 39 76.242 3.218 -1.886 1.00 0.00 O ATOM 543 CB THR A 39 75.918 4.152 -4.957 1.00 0.00 C ATOM 544 OG1 THR A 39 76.900 5.036 -5.478 1.00 0.00 O ATOM 545 CG2 THR A 39 74.739 4.065 -5.928 1.00 0.00 C ATOM 0 H THR A 39 75.580 6.511 -4.689 1.00 0.00 H new ATOM 0 HA THR A 39 74.448 4.274 -3.351 1.00 0.00 H new ATOM 0 HB THR A 39 76.354 3.161 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.441 4.566 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.087 3.692 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.986 3.386 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.302 5.055 -6.059 1.00 0.00 H new ATOM 553 N LYS A 40 77.357 5.085 -2.195 1.00 0.00 N ATOM 554 CA LYS A 40 78.320 4.747 -1.108 1.00 0.00 C ATOM 555 C LYS A 40 77.642 4.903 0.256 1.00 0.00 C ATOM 556 O LYS A 40 78.096 4.376 1.252 1.00 0.00 O ATOM 557 CB LYS A 40 79.458 5.757 -1.262 1.00 0.00 C ATOM 558 CG LYS A 40 78.970 7.141 -0.833 1.00 0.00 C ATOM 559 CD LYS A 40 80.156 8.105 -0.769 1.00 0.00 C ATOM 560 CE LYS A 40 80.299 8.644 0.657 1.00 0.00 C ATOM 561 NZ LYS A 40 80.966 9.966 0.503 1.00 0.00 N ATOM 0 H LYS A 40 77.527 5.975 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 40 78.678 3.719 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.311 5.456 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.798 5.784 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 40 78.226 7.510 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.484 7.081 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.071 7.594 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.007 8.929 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 40 79.327 8.746 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.893 7.972 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 81.099 10.399 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.892 9.837 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 80.374 10.587 -0.085 1.00 0.00 H new ATOM 575 N GLU A 41 76.555 5.624 0.304 1.00 0.00 N ATOM 576 CA GLU A 41 75.840 5.819 1.599 1.00 0.00 C ATOM 577 C GLU A 41 74.643 4.867 1.688 1.00 0.00 C ATOM 578 O GLU A 41 73.928 4.844 2.670 1.00 0.00 O ATOM 579 CB GLU A 41 75.371 7.274 1.571 1.00 0.00 C ATOM 580 CG GLU A 41 74.685 7.619 2.894 1.00 0.00 C ATOM 581 CD GLU A 41 75.597 8.527 3.720 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.558 9.727 3.506 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.319 8.006 4.555 1.00 0.00 O ATOM 0 H GLU A 41 76.130 6.088 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 41 76.474 5.611 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.220 7.937 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.681 7.428 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.734 8.117 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.462 6.708 3.449 1.00 0.00 H new ATOM 590 N LEU A 42 74.422 4.081 0.670 1.00 0.00 N ATOM 591 CA LEU A 42 73.273 3.132 0.695 1.00 0.00 C ATOM 592 C LEU A 42 73.407 2.168 1.878 1.00 0.00 C ATOM 593 O LEU A 42 72.473 1.482 2.241 1.00 0.00 O ATOM 594 CB LEU A 42 73.361 2.370 -0.629 1.00 0.00 C ATOM 595 CG LEU A 42 72.332 1.239 -0.639 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.890 0.965 -2.078 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.959 -0.026 -0.050 1.00 0.00 C ATOM 0 H LEU A 42 74.988 4.055 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 42 72.317 3.644 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.179 3.048 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.364 1.964 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 42 71.468 1.529 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.156 0.159 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.444 1.866 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.754 0.675 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.226 -0.833 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.823 -0.316 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.275 0.168 0.975 1.00 0.00 H new ATOM 609 N GLY A 43 74.563 2.112 2.481 1.00 0.00 N ATOM 610 CA GLY A 43 74.756 1.193 3.637 1.00 0.00 C ATOM 611 C GLY A 43 74.317 1.890 4.926 1.00 0.00 C ATOM 612 O GLY A 43 73.656 1.309 5.764 1.00 0.00 O ATOM 0 H GLY A 43 75.382 2.663 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.178 0.281 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.803 0.898 3.709 1.00 0.00 H new ATOM 616 N THR A 44 74.682 3.130 5.095 1.00 0.00 N ATOM 617 CA THR A 44 74.289 3.863 6.332 1.00 0.00 C ATOM 618 C THR A 44 72.767 4.017 6.403 1.00 0.00 C ATOM 619 O THR A 44 72.162 3.818 7.437 1.00 0.00 O ATOM 620 CB THR A 44 74.960 5.231 6.212 1.00 0.00 C ATOM 621 OG1 THR A 44 76.367 5.080 6.319 1.00 0.00 O ATOM 622 CG2 THR A 44 74.457 6.146 7.329 1.00 0.00 C ATOM 0 H THR A 44 75.236 3.669 4.429 1.00 0.00 H new ATOM 0 HA THR A 44 74.594 3.335 7.235 1.00 0.00 H new ATOM 0 HB THR A 44 74.716 5.671 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.797 5.957 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.936 7.122 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.377 6.263 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.700 5.706 8.296 1.00 0.00 H new ATOM 630 N VAL A 45 72.145 4.376 5.314 1.00 0.00 N ATOM 631 CA VAL A 45 70.663 4.548 5.323 1.00 0.00 C ATOM 632 C VAL A 45 69.980 3.260 5.792 1.00 0.00 C ATOM 633 O VAL A 45 69.044 3.289 6.567 1.00 0.00 O ATOM 634 CB VAL A 45 70.290 4.856 3.873 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.620 3.649 2.993 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.792 5.154 3.786 1.00 0.00 C ATOM 0 H VAL A 45 72.598 4.558 4.418 1.00 0.00 H new ATOM 0 HA VAL A 45 70.345 5.339 6.002 1.00 0.00 H new ATOM 0 HB VAL A 45 70.855 5.722 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.354 3.869 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.687 3.434 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.055 2.783 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.524 5.374 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.228 4.287 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.555 6.014 4.413 1.00 0.00 H new ATOM 646 N MET A 46 70.438 2.130 5.326 1.00 0.00 N ATOM 647 CA MET A 46 69.810 0.842 5.743 1.00 0.00 C ATOM 648 C MET A 46 70.321 0.418 7.124 1.00 0.00 C ATOM 649 O MET A 46 69.596 -0.155 7.913 1.00 0.00 O ATOM 650 CB MET A 46 70.233 -0.171 4.676 1.00 0.00 C ATOM 651 CG MET A 46 71.761 -0.265 4.623 1.00 0.00 C ATOM 652 SD MET A 46 72.245 -1.681 3.603 1.00 0.00 S ATOM 653 CE MET A 46 70.984 -1.486 2.319 1.00 0.00 C ATOM 0 H MET A 46 71.219 2.042 4.675 1.00 0.00 H new ATOM 0 HA MET A 46 68.726 0.921 5.822 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.807 -1.149 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.844 0.129 3.703 1.00 0.00 H new ATOM 0 HG2 MET A 46 72.178 0.653 4.210 1.00 0.00 H new ATOM 0 HG3 MET A 46 72.164 -0.374 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.244 -2.101 1.457 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.016 -1.799 2.709 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.932 -0.440 2.016 1.00 0.00 H new ATOM 663 N ARG A 47 71.561 0.690 7.425 1.00 0.00 N ATOM 664 CA ARG A 47 72.107 0.295 8.755 1.00 0.00 C ATOM 665 C ARG A 47 71.684 1.305 9.825 1.00 0.00 C ATOM 666 O ARG A 47 71.527 0.969 10.982 1.00 0.00 O ATOM 667 CB ARG A 47 73.627 0.300 8.580 1.00 0.00 C ATOM 668 CG ARG A 47 74.237 -0.860 9.370 1.00 0.00 C ATOM 669 CD ARG A 47 75.504 -0.382 10.085 1.00 0.00 C ATOM 670 NE ARG A 47 75.700 -1.342 11.206 1.00 0.00 N ATOM 671 CZ ARG A 47 76.878 -1.860 11.425 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.334 -2.800 10.644 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.601 -1.436 12.426 1.00 0.00 N ATOM 0 H ARG A 47 72.219 1.168 6.809 1.00 0.00 H new ATOM 0 HA ARG A 47 71.739 -0.679 9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.882 0.209 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.040 1.247 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.517 -1.237 10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.475 -1.685 8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.361 -0.382 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.388 0.637 10.454 1.00 0.00 H new ATOM 0 HE ARG A 47 74.913 -1.595 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.770 -3.131 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.255 -3.204 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.245 -0.700 13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.522 -1.840 12.598 1.00 0.00 H new ATOM 687 N MET A 48 71.499 2.541 9.449 1.00 0.00 N ATOM 688 CA MET A 48 71.087 3.569 10.447 1.00 0.00 C ATOM 689 C MET A 48 69.596 3.425 10.766 1.00 0.00 C ATOM 690 O MET A 48 69.041 4.181 11.538 1.00 0.00 O ATOM 691 CB MET A 48 71.363 4.912 9.772 1.00 0.00 C ATOM 692 CG MET A 48 71.406 6.016 10.831 1.00 0.00 C ATOM 693 SD MET A 48 71.060 7.613 10.054 1.00 0.00 S ATOM 694 CE MET A 48 72.099 8.624 11.137 1.00 0.00 C ATOM 0 H MET A 48 71.615 2.883 8.495 1.00 0.00 H new ATOM 0 HA MET A 48 71.626 3.470 11.389 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.310 4.873 9.234 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.587 5.128 9.037 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.673 5.814 11.612 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.385 6.037 11.310 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.035 9.668 10.832 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.756 8.525 12.167 1.00 0.00 H new ATOM 0 HE3 MET A 48 73.134 8.288 11.066 1.00 0.00 H new ATOM 704 N LEU A 49 68.944 2.459 10.178 1.00 0.00 N ATOM 705 CA LEU A 49 67.491 2.269 10.449 1.00 0.00 C ATOM 706 C LEU A 49 67.284 1.129 11.450 1.00 0.00 C ATOM 707 O LEU A 49 66.526 1.250 12.392 1.00 0.00 O ATOM 708 CB LEU A 49 66.877 1.918 9.093 1.00 0.00 C ATOM 709 CG LEU A 49 66.711 3.193 8.266 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.174 2.837 6.879 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.724 4.130 8.968 1.00 0.00 C ATOM 0 H LEU A 49 69.354 1.794 9.522 1.00 0.00 H new ATOM 0 HA LEU A 49 67.031 3.157 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.515 1.209 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.911 1.434 9.233 1.00 0.00 H new ATOM 0 HG LEU A 49 67.677 3.688 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.056 3.747 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.874 2.169 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.208 2.342 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.605 5.040 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.759 3.633 9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.105 4.385 9.957 1.00 0.00 H new ATOM 723 N GLY A 50 67.954 0.024 11.260 1.00 0.00 N ATOM 724 CA GLY A 50 67.791 -1.111 12.212 1.00 0.00 C ATOM 725 C GLY A 50 67.868 -2.444 11.462 1.00 0.00 C ATOM 726 O GLY A 50 67.034 -3.310 11.635 1.00 0.00 O ATOM 0 H GLY A 50 68.604 -0.141 10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.568 -1.069 12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.834 -1.029 12.726 1.00 0.00 H new ATOM 730 N GLN A 51 68.867 -2.622 10.641 1.00 0.00 N ATOM 731 CA GLN A 51 68.993 -3.909 9.895 1.00 0.00 C ATOM 732 C GLN A 51 70.397 -4.491 10.085 1.00 0.00 C ATOM 733 O GLN A 51 71.066 -4.218 11.062 1.00 0.00 O ATOM 734 CB GLN A 51 68.755 -3.556 8.427 1.00 0.00 C ATOM 735 CG GLN A 51 67.423 -2.819 8.283 1.00 0.00 C ATOM 736 CD GLN A 51 67.590 -1.641 7.322 1.00 0.00 C ATOM 737 OE1 GLN A 51 68.478 -1.640 6.494 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.765 -0.632 7.398 1.00 0.00 N ATOM 0 H GLN A 51 69.599 -1.936 10.454 1.00 0.00 H new ATOM 0 HA GLN A 51 68.283 -4.657 10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.569 -2.932 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.747 -4.462 7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.658 -3.500 7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.086 -2.462 9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.019 -0.634 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.866 0.158 6.761 1.00 0.00 H new ATOM 747 N ASN A 52 70.848 -5.290 9.157 1.00 0.00 N ATOM 748 CA ASN A 52 72.207 -5.889 9.283 1.00 0.00 C ATOM 749 C ASN A 52 72.755 -6.252 7.900 1.00 0.00 C ATOM 750 O ASN A 52 72.912 -7.414 7.579 1.00 0.00 O ATOM 751 CB ASN A 52 72.009 -7.148 10.127 1.00 0.00 C ATOM 752 CG ASN A 52 71.366 -6.772 11.463 1.00 0.00 C ATOM 753 OD1 ASN A 52 70.172 -6.910 11.637 1.00 0.00 O ATOM 754 ND2 ASN A 52 72.114 -6.300 12.423 1.00 0.00 N ATOM 0 H ASN A 52 70.334 -5.554 8.317 1.00 0.00 H new ATOM 0 HA ASN A 52 72.920 -5.201 9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.377 -7.859 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.967 -7.638 10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 52 71.696 -6.047 13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.117 -6.184 12.278 1.00 0.00 H new ATOM 761 N PRO A 53 73.030 -5.238 7.126 1.00 0.00 N ATOM 762 CA PRO A 53 73.567 -5.447 5.758 1.00 0.00 C ATOM 763 C PRO A 53 75.025 -5.909 5.822 1.00 0.00 C ATOM 764 O PRO A 53 75.931 -5.115 5.983 1.00 0.00 O ATOM 765 CB PRO A 53 73.462 -4.066 5.119 1.00 0.00 C ATOM 766 CG PRO A 53 73.479 -3.106 6.265 1.00 0.00 C ATOM 767 CD PRO A 53 72.868 -3.816 7.446 1.00 0.00 C ATOM 0 HA PRO A 53 73.030 -6.213 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.293 -3.882 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.546 -3.969 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.498 -2.792 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.914 -2.206 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.375 -3.555 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.818 -3.552 7.571 1.00 0.00 H new ATOM 775 N THR A 54 75.258 -7.187 5.698 1.00 0.00 N ATOM 776 CA THR A 54 76.658 -7.697 5.753 1.00 0.00 C ATOM 777 C THR A 54 77.454 -7.186 4.548 1.00 0.00 C ATOM 778 O THR A 54 76.906 -6.916 3.499 1.00 0.00 O ATOM 779 CB THR A 54 76.528 -9.220 5.704 1.00 0.00 C ATOM 780 OG1 THR A 54 75.765 -9.591 4.564 1.00 0.00 O ATOM 781 CG2 THR A 54 75.830 -9.714 6.971 1.00 0.00 C ATOM 0 H THR A 54 74.541 -7.899 5.561 1.00 0.00 H new ATOM 0 HA THR A 54 77.185 -7.362 6.647 1.00 0.00 H new ATOM 0 HB THR A 54 77.519 -9.669 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.438 -10.508 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.737 -10.799 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.416 -9.428 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.838 -9.267 7.038 1.00 0.00 H new ATOM 789 N LYS A 55 78.745 -7.053 4.693 1.00 0.00 N ATOM 790 CA LYS A 55 79.575 -6.558 3.556 1.00 0.00 C ATOM 791 C LYS A 55 79.167 -7.259 2.257 1.00 0.00 C ATOM 792 O LYS A 55 78.889 -6.624 1.259 1.00 0.00 O ATOM 793 CB LYS A 55 81.013 -6.916 3.931 1.00 0.00 C ATOM 794 CG LYS A 55 81.972 -5.917 3.282 1.00 0.00 C ATOM 795 CD LYS A 55 82.929 -5.366 4.341 1.00 0.00 C ATOM 796 CE LYS A 55 83.810 -4.281 3.718 1.00 0.00 C ATOM 797 NZ LYS A 55 84.442 -3.588 4.874 1.00 0.00 N ATOM 0 H LYS A 55 79.260 -7.265 5.547 1.00 0.00 H new ATOM 0 HA LYS A 55 79.452 -5.488 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.132 -6.900 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.246 -7.928 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.535 -6.403 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.411 -5.102 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.364 -4.955 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.549 -6.169 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.562 -4.714 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.219 -3.589 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.062 -2.829 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.702 -3.180 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.003 -4.270 5.423 1.00 0.00 H new ATOM 811 N GLU A 56 79.130 -8.563 2.262 1.00 0.00 N ATOM 812 CA GLU A 56 78.742 -9.302 1.026 1.00 0.00 C ATOM 813 C GLU A 56 77.381 -8.814 0.524 1.00 0.00 C ATOM 814 O GLU A 56 77.231 -8.436 -0.621 1.00 0.00 O ATOM 815 CB GLU A 56 78.663 -10.769 1.452 1.00 0.00 C ATOM 816 CG GLU A 56 77.956 -11.579 0.364 1.00 0.00 C ATOM 817 CD GLU A 56 78.706 -12.893 0.138 1.00 0.00 C ATOM 818 OE1 GLU A 56 78.827 -13.654 1.084 1.00 0.00 O ATOM 819 OE2 GLU A 56 79.148 -13.115 -0.977 1.00 0.00 O ATOM 0 H GLU A 56 79.351 -9.149 3.067 1.00 0.00 H new ATOM 0 HA GLU A 56 79.452 -9.151 0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.665 -11.164 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.122 -10.856 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.926 -11.782 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.916 -11.006 -0.563 1.00 0.00 H new ATOM 826 N GLU A 57 76.388 -8.820 1.371 1.00 0.00 N ATOM 827 CA GLU A 57 75.038 -8.355 0.940 1.00 0.00 C ATOM 828 C GLU A 57 75.071 -6.859 0.619 1.00 0.00 C ATOM 829 O GLU A 57 74.432 -6.397 -0.305 1.00 0.00 O ATOM 830 CB GLU A 57 74.124 -8.627 2.135 1.00 0.00 C ATOM 831 CG GLU A 57 74.088 -10.130 2.419 1.00 0.00 C ATOM 832 CD GLU A 57 73.328 -10.843 1.300 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.109 -10.798 1.316 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.978 -11.421 0.444 1.00 0.00 O ATOM 0 H GLU A 57 76.453 -9.126 2.342 1.00 0.00 H new ATOM 0 HA GLU A 57 74.694 -8.865 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 74.484 -8.089 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.118 -8.261 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.103 -10.522 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.605 -10.318 3.378 1.00 0.00 H new ATOM 841 N LEU A 58 75.812 -6.097 1.377 1.00 0.00 N ATOM 842 CA LEU A 58 75.885 -4.630 1.116 1.00 0.00 C ATOM 843 C LEU A 58 76.710 -4.357 -0.145 1.00 0.00 C ATOM 844 O LEU A 58 76.343 -3.550 -0.975 1.00 0.00 O ATOM 845 CB LEU A 58 76.575 -4.045 2.349 1.00 0.00 C ATOM 846 CG LEU A 58 77.048 -2.622 2.045 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.836 -1.729 1.774 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.824 -2.078 3.246 1.00 0.00 C ATOM 0 H LEU A 58 76.370 -6.426 2.165 1.00 0.00 H new ATOM 0 HA LEU A 58 74.902 -4.189 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.887 -4.038 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.423 -4.668 2.634 1.00 0.00 H new ATOM 0 HG LEU A 58 77.695 -2.632 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.172 -0.715 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.281 -2.118 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.189 -1.717 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 58 78.162 -1.064 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 77.177 -2.067 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.687 -2.715 3.440 1.00 0.00 H new ATOM 860 N ASP A 59 77.822 -5.022 -0.292 1.00 0.00 N ATOM 861 CA ASP A 59 78.670 -4.800 -1.499 1.00 0.00 C ATOM 862 C ASP A 59 77.967 -5.335 -2.749 1.00 0.00 C ATOM 863 O ASP A 59 78.020 -4.737 -3.805 1.00 0.00 O ATOM 864 CB ASP A 59 79.955 -5.584 -1.228 1.00 0.00 C ATOM 865 CG ASP A 59 80.635 -5.031 0.026 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.570 -3.829 0.231 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.208 -5.817 0.760 1.00 0.00 O ATOM 0 H ASP A 59 78.181 -5.709 0.370 1.00 0.00 H new ATOM 0 HA ASP A 59 78.866 -3.743 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.727 -6.642 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.627 -5.508 -2.083 1.00 0.00 H new ATOM 872 N ALA A 60 77.309 -6.455 -2.638 1.00 0.00 N ATOM 873 CA ALA A 60 76.605 -7.023 -3.824 1.00 0.00 C ATOM 874 C ALA A 60 75.363 -6.188 -4.150 1.00 0.00 C ATOM 875 O ALA A 60 74.951 -6.092 -5.289 1.00 0.00 O ATOM 876 CB ALA A 60 76.205 -8.440 -3.409 1.00 0.00 C ATOM 0 H ALA A 60 77.228 -7.001 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 60 77.232 -7.023 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.680 -8.926 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.099 -9.012 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.551 -8.393 -2.538 1.00 0.00 H new ATOM 882 N ILE A 61 74.766 -5.582 -3.161 1.00 0.00 N ATOM 883 CA ILE A 61 73.554 -4.753 -3.419 1.00 0.00 C ATOM 884 C ILE A 61 73.955 -3.415 -4.047 1.00 0.00 C ATOM 885 O ILE A 61 73.564 -3.097 -5.152 1.00 0.00 O ATOM 886 CB ILE A 61 72.922 -4.532 -2.046 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.252 -5.826 -1.580 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.874 -3.422 -2.141 1.00 0.00 C ATOM 889 CD1 ILE A 61 71.937 -5.728 -0.086 1.00 0.00 C ATOM 0 H ILE A 61 75.064 -5.625 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 61 72.863 -5.236 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 61 73.694 -4.244 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.336 -5.998 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.907 -6.676 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.422 -3.263 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.350 -2.500 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.102 -3.711 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.460 -6.650 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 61 72.861 -5.577 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.265 -4.888 0.090 1.00 0.00 H new ATOM 901 N ILE A 62 74.731 -2.630 -3.349 1.00 0.00 N ATOM 902 CA ILE A 62 75.155 -1.314 -3.907 1.00 0.00 C ATOM 903 C ILE A 62 75.535 -1.466 -5.382 1.00 0.00 C ATOM 904 O ILE A 62 74.897 -0.913 -6.255 1.00 0.00 O ATOM 905 CB ILE A 62 76.374 -0.906 -3.079 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.930 -0.572 -1.653 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.031 0.322 -3.710 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.086 0.090 -0.900 1.00 0.00 C ATOM 0 H ILE A 62 75.089 -2.843 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 62 74.361 -0.568 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 62 77.090 -1.728 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.068 0.095 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.618 -1.479 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.900 0.613 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.345 0.085 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.317 1.145 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.770 0.328 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.936 -0.592 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.377 1.006 -1.413 1.00 0.00 H new ATOM 920 N GLU A 63 76.565 -2.215 -5.668 1.00 0.00 N ATOM 921 CA GLU A 63 76.973 -2.400 -7.089 1.00 0.00 C ATOM 922 C GLU A 63 75.792 -2.938 -7.899 1.00 0.00 C ATOM 923 O GLU A 63 75.676 -2.699 -9.084 1.00 0.00 O ATOM 924 CB GLU A 63 78.108 -3.422 -7.044 1.00 0.00 C ATOM 925 CG GLU A 63 78.363 -3.966 -8.452 1.00 0.00 C ATOM 926 CD GLU A 63 78.046 -5.462 -8.488 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.885 -6.236 -8.057 1.00 0.00 O ATOM 928 OE2 GLU A 63 76.970 -5.809 -8.947 1.00 0.00 O ATOM 0 H GLU A 63 77.139 -2.705 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 63 77.288 -1.469 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.013 -2.958 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.850 -4.238 -6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.744 -3.435 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.402 -3.797 -8.736 1.00 0.00 H new ATOM 935 N GLU A 64 74.910 -3.660 -7.263 1.00 0.00 N ATOM 936 CA GLU A 64 73.730 -4.211 -7.988 1.00 0.00 C ATOM 937 C GLU A 64 72.694 -3.104 -8.209 1.00 0.00 C ATOM 938 O GLU A 64 71.984 -3.092 -9.195 1.00 0.00 O ATOM 939 CB GLU A 64 73.177 -5.301 -7.060 1.00 0.00 C ATOM 940 CG GLU A 64 71.686 -5.520 -7.333 1.00 0.00 C ATOM 941 CD GLU A 64 71.497 -6.019 -8.766 1.00 0.00 C ATOM 942 OE1 GLU A 64 72.012 -5.381 -9.668 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.839 -7.033 -8.938 1.00 0.00 O ATOM 0 H GLU A 64 74.956 -3.892 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 64 73.984 -4.607 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.723 -6.232 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.325 -5.013 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.279 -6.245 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.138 -4.589 -7.186 1.00 0.00 H new ATOM 950 N VAL A 65 72.600 -2.181 -7.293 1.00 0.00 N ATOM 951 CA VAL A 65 71.606 -1.081 -7.444 1.00 0.00 C ATOM 952 C VAL A 65 72.303 0.209 -7.886 1.00 0.00 C ATOM 953 O VAL A 65 71.666 1.213 -8.139 1.00 0.00 O ATOM 954 CB VAL A 65 70.993 -0.913 -6.054 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.501 -2.268 -5.542 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.051 -0.360 -5.094 1.00 0.00 C ATOM 0 H VAL A 65 73.168 -2.140 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 65 70.852 -1.305 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 65 70.153 -0.221 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.064 -2.146 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.748 -2.663 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.340 -2.962 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.615 -0.240 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.891 -1.053 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.401 0.607 -5.456 1.00 0.00 H new ATOM 966 N ASP A 66 73.604 0.190 -7.984 1.00 0.00 N ATOM 967 CA ASP A 66 74.332 1.419 -8.413 1.00 0.00 C ATOM 968 C ASP A 66 74.119 1.663 -9.906 1.00 0.00 C ATOM 969 O ASP A 66 75.027 1.518 -10.699 1.00 0.00 O ATOM 970 CB ASP A 66 75.808 1.136 -8.139 1.00 0.00 C ATOM 971 CG ASP A 66 76.189 1.676 -6.758 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.558 1.277 -5.794 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.105 2.478 -6.689 1.00 0.00 O ATOM 0 H ASP A 66 74.193 -0.619 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 66 73.980 2.303 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.997 0.064 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.426 1.603 -8.906 1.00 0.00 H new ATOM 1030 N THR A 72 72.508 7.213 -8.272 1.00 0.00 N ATOM 1031 CA THR A 72 73.007 6.249 -7.250 1.00 0.00 C ATOM 1032 C THR A 72 71.907 5.250 -6.878 1.00 0.00 C ATOM 1033 O THR A 72 71.774 4.205 -7.485 1.00 0.00 O ATOM 1034 CB THR A 72 73.379 7.114 -6.044 1.00 0.00 C ATOM 1035 OG1 THR A 72 72.223 7.803 -5.585 1.00 0.00 O ATOM 1036 CG2 THR A 72 74.450 8.126 -6.452 1.00 0.00 C ATOM 0 HA THR A 72 73.853 5.664 -7.611 1.00 0.00 H new ATOM 0 HB THR A 72 73.767 6.481 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.175 7.746 -4.608 1.00 0.00 H new ATOM 0 HG21 THR A 72 74.715 8.742 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 72 75.335 7.597 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.065 8.762 -7.249 1.00 0.00 H new ATOM 1044 N ILE A 73 71.120 5.561 -5.885 1.00 0.00 N ATOM 1045 CA ILE A 73 70.032 4.627 -5.474 1.00 0.00 C ATOM 1046 C ILE A 73 68.692 5.367 -5.426 1.00 0.00 C ATOM 1047 O ILE A 73 68.633 6.542 -5.123 1.00 0.00 O ATOM 1048 CB ILE A 73 70.430 4.145 -4.080 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.288 3.325 -3.478 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.717 5.352 -3.186 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.637 2.949 -2.037 1.00 0.00 C ATOM 0 H ILE A 73 71.183 6.421 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 73 69.912 3.798 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 73 71.324 3.525 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.362 3.899 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 73 69.120 2.425 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 73 71.001 5.009 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.531 5.937 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.824 5.972 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.824 2.364 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.553 2.359 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.783 3.856 -1.450 1.00 0.00 H new ATOM 1063 N ASP A 74 67.616 4.691 -5.723 1.00 0.00 N ATOM 1064 CA ASP A 74 66.285 5.362 -5.694 1.00 0.00 C ATOM 1065 C ASP A 74 65.468 4.871 -4.495 1.00 0.00 C ATOM 1066 O ASP A 74 65.498 3.707 -4.146 1.00 0.00 O ATOM 1067 CB ASP A 74 65.609 4.955 -7.005 1.00 0.00 C ATOM 1068 CG ASP A 74 66.075 5.882 -8.129 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.782 6.832 -7.832 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.716 5.628 -9.267 1.00 0.00 O ATOM 0 H ASP A 74 67.601 3.705 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 74 66.371 6.444 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.854 3.921 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.525 5.010 -6.900 1.00 0.00 H new ATOM 1075 N PHE A 75 64.740 5.750 -3.861 1.00 0.00 N ATOM 1076 CA PHE A 75 63.923 5.332 -2.686 1.00 0.00 C ATOM 1077 C PHE A 75 62.989 4.185 -3.077 1.00 0.00 C ATOM 1078 O PHE A 75 62.916 3.174 -2.406 1.00 0.00 O ATOM 1079 CB PHE A 75 63.117 6.574 -2.302 1.00 0.00 C ATOM 1080 CG PHE A 75 62.481 6.364 -0.949 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.346 5.554 -0.828 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.026 6.980 0.184 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.755 5.359 0.426 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.435 6.785 1.438 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.300 5.974 1.560 1.00 0.00 C ATOM 0 H PHE A 75 64.676 6.738 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 75 64.538 4.975 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.767 7.449 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.349 6.768 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.926 5.079 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.902 7.605 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.879 4.734 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.855 7.260 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.845 5.823 2.528 1.00 0.00 H new ATOM 1095 N GLU A 76 62.274 4.331 -4.160 1.00 0.00 N ATOM 1096 CA GLU A 76 61.348 3.246 -4.592 1.00 0.00 C ATOM 1097 C GLU A 76 62.106 1.919 -4.687 1.00 0.00 C ATOM 1098 O GLU A 76 61.668 0.906 -4.178 1.00 0.00 O ATOM 1099 CB GLU A 76 60.846 3.678 -5.971 1.00 0.00 C ATOM 1100 CG GLU A 76 59.462 4.318 -5.835 1.00 0.00 C ATOM 1101 CD GLU A 76 58.463 3.565 -6.714 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.481 3.781 -7.915 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.698 2.785 -6.173 1.00 0.00 O ATOM 0 H GLU A 76 62.291 5.153 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 76 60.527 3.096 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.543 4.387 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.796 2.817 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.138 4.292 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.504 5.366 -6.130 1.00 0.00 H new ATOM 1110 N GLU A 77 63.241 1.917 -5.332 1.00 0.00 N ATOM 1111 CA GLU A 77 64.025 0.656 -5.453 1.00 0.00 C ATOM 1112 C GLU A 77 64.723 0.342 -4.127 1.00 0.00 C ATOM 1113 O GLU A 77 64.698 -0.776 -3.650 1.00 0.00 O ATOM 1114 CB GLU A 77 65.056 0.932 -6.549 1.00 0.00 C ATOM 1115 CG GLU A 77 65.645 -0.391 -7.040 1.00 0.00 C ATOM 1116 CD GLU A 77 65.834 -0.336 -8.558 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.039 0.752 -9.070 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.768 -1.382 -9.181 1.00 0.00 O ATOM 0 H GLU A 77 63.658 2.733 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 77 63.396 -0.201 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.588 1.464 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.848 1.575 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.601 -0.579 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.984 -1.216 -6.775 1.00 0.00 H new ATOM 1125 N PHE A 78 65.343 1.321 -3.526 1.00 0.00 N ATOM 1126 CA PHE A 78 66.039 1.082 -2.230 1.00 0.00 C ATOM 1127 C PHE A 78 65.092 0.392 -1.244 1.00 0.00 C ATOM 1128 O PHE A 78 65.514 -0.346 -0.376 1.00 0.00 O ATOM 1129 CB PHE A 78 66.425 2.477 -1.727 1.00 0.00 C ATOM 1130 CG PHE A 78 66.736 2.423 -0.249 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.919 1.820 0.197 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.841 2.977 0.674 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.207 1.773 1.567 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.129 2.929 2.044 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.311 2.328 2.489 1.00 0.00 C ATOM 0 H PHE A 78 65.397 2.277 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 78 66.909 0.434 -2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.292 2.844 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.610 3.178 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.609 1.392 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.929 3.441 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.119 1.309 1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.439 3.356 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.533 2.292 3.545 1.00 0.00 H new ATOM 1145 N LEU A 79 63.815 0.628 -1.370 1.00 0.00 N ATOM 1146 CA LEU A 79 62.844 -0.016 -0.439 1.00 0.00 C ATOM 1147 C LEU A 79 63.173 -1.502 -0.278 1.00 0.00 C ATOM 1148 O LEU A 79 62.955 -2.087 0.765 1.00 0.00 O ATOM 1149 CB LEU A 79 61.480 0.163 -1.105 1.00 0.00 C ATOM 1150 CG LEU A 79 60.808 1.425 -0.560 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.779 1.933 -1.571 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.108 1.097 0.760 1.00 0.00 C ATOM 0 H LEU A 79 63.402 1.238 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 79 62.872 0.425 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.598 0.239 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.853 -0.708 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 79 61.561 2.195 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.300 2.832 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.277 2.165 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.025 1.164 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.628 1.995 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.355 0.327 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.841 0.735 1.481 1.00 0.00 H new ATOM 1164 N VAL A 80 63.699 -2.117 -1.303 1.00 0.00 N ATOM 1165 CA VAL A 80 64.044 -3.563 -1.205 1.00 0.00 C ATOM 1166 C VAL A 80 65.215 -3.761 -0.240 1.00 0.00 C ATOM 1167 O VAL A 80 65.296 -4.750 0.460 1.00 0.00 O ATOM 1168 CB VAL A 80 64.441 -3.976 -2.622 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.395 -3.462 -3.616 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.806 -3.375 -2.963 1.00 0.00 C ATOM 0 H VAL A 80 63.904 -1.681 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 80 63.214 -4.160 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 80 64.496 -5.063 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.678 -3.756 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.422 -3.888 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.340 -2.375 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.091 -3.669 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.750 -2.288 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.551 -3.740 -2.256 1.00 0.00 H new ATOM 1180 N MET A 81 66.125 -2.825 -0.198 1.00 0.00 N ATOM 1181 CA MET A 81 67.291 -2.958 0.723 1.00 0.00 C ATOM 1182 C MET A 81 66.816 -2.976 2.178 1.00 0.00 C ATOM 1183 O MET A 81 66.792 -4.006 2.822 1.00 0.00 O ATOM 1184 CB MET A 81 68.150 -1.721 0.457 1.00 0.00 C ATOM 1185 CG MET A 81 69.220 -2.056 -0.583 1.00 0.00 C ATOM 1186 SD MET A 81 68.450 -2.206 -2.215 1.00 0.00 S ATOM 1187 CE MET A 81 69.012 -0.619 -2.877 1.00 0.00 C ATOM 0 H MET A 81 66.112 -1.975 -0.761 1.00 0.00 H new ATOM 0 HA MET A 81 67.844 -3.882 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.526 -0.902 0.101 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.619 -1.385 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.983 -1.278 -0.599 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.721 -2.987 -0.318 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.301 -0.264 -3.623 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.082 0.108 -2.068 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.991 -0.744 -3.339 1.00 0.00 H new ATOM 1197 N MET A 82 66.435 -1.842 2.700 1.00 0.00 N ATOM 1198 CA MET A 82 65.961 -1.794 4.114 1.00 0.00 C ATOM 1199 C MET A 82 64.981 -2.939 4.382 1.00 0.00 C ATOM 1200 O MET A 82 64.891 -3.445 5.482 1.00 0.00 O ATOM 1201 CB MET A 82 65.260 -0.440 4.264 1.00 0.00 C ATOM 1202 CG MET A 82 64.458 -0.123 3.000 1.00 0.00 C ATOM 1203 SD MET A 82 62.769 0.340 3.455 1.00 0.00 S ATOM 1204 CE MET A 82 63.032 2.130 3.516 1.00 0.00 C ATOM 0 H MET A 82 66.431 -0.947 2.210 1.00 0.00 H new ATOM 0 HA MET A 82 66.781 -1.903 4.823 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.598 -0.458 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 82 65.997 0.343 4.443 1.00 0.00 H new ATOM 0 HG2 MET A 82 64.933 0.689 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.443 -0.990 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.076 2.633 3.661 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.699 2.372 4.344 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.480 2.464 2.580 1.00 0.00 H new ATOM 1214 N VAL A 83 64.246 -3.350 3.386 1.00 0.00 N ATOM 1215 CA VAL A 83 63.275 -4.464 3.589 1.00 0.00 C ATOM 1216 C VAL A 83 63.986 -5.812 3.456 1.00 0.00 C ATOM 1217 O VAL A 83 64.102 -6.560 4.406 1.00 0.00 O ATOM 1218 CB VAL A 83 62.237 -4.294 2.480 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.278 -5.485 2.494 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.452 -3.002 2.713 1.00 0.00 C ATOM 0 H VAL A 83 64.275 -2.964 2.442 1.00 0.00 H new ATOM 0 HA VAL A 83 62.819 -4.440 4.579 1.00 0.00 H new ATOM 0 HB VAL A 83 62.739 -4.245 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.537 -5.365 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.838 -6.405 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.774 -5.535 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.711 -2.879 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.948 -3.051 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.136 -2.154 2.704 1.00 0.00 H new ATOM 1230 N ARG A 84 64.469 -6.124 2.284 1.00 0.00 N ATOM 1231 CA ARG A 84 65.176 -7.422 2.094 1.00 0.00 C ATOM 1232 C ARG A 84 66.210 -7.617 3.204 1.00 0.00 C ATOM 1233 O ARG A 84 66.506 -8.726 3.604 1.00 0.00 O ATOM 1234 CB ARG A 84 65.861 -7.307 0.732 1.00 0.00 C ATOM 1235 CG ARG A 84 64.801 -7.155 -0.363 1.00 0.00 C ATOM 1236 CD ARG A 84 64.161 -8.517 -0.647 1.00 0.00 C ATOM 1237 NE ARG A 84 64.376 -8.746 -2.102 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.767 -9.732 -2.704 1.00 0.00 C ATOM 1239 NH1 ARG A 84 62.472 -9.703 -2.859 1.00 0.00 N ATOM 1240 NH2 ARG A 84 64.455 -10.747 -3.151 1.00 0.00 N ATOM 0 H ARG A 84 64.405 -5.538 1.452 1.00 0.00 H new ATOM 0 HA ARG A 84 64.499 -8.275 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.534 -6.449 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.469 -8.192 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.039 -6.441 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.255 -6.758 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.624 -9.303 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.099 -8.514 -0.400 1.00 0.00 H new ATOM 0 HE ARG A 84 64.999 -8.133 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 84 61.934 -8.910 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 61.997 -10.474 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.468 -10.770 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 84 63.980 -11.518 -3.621 1.00 0.00 H new ATOM 1254 N GLN A 85 66.756 -6.546 3.711 1.00 0.00 N ATOM 1255 CA GLN A 85 67.763 -6.670 4.802 1.00 0.00 C ATOM 1256 C GLN A 85 67.071 -7.070 6.104 1.00 0.00 C ATOM 1257 O GLN A 85 67.254 -8.161 6.607 1.00 0.00 O ATOM 1258 CB GLN A 85 68.382 -5.278 4.935 1.00 0.00 C ATOM 1259 CG GLN A 85 69.687 -5.377 5.724 1.00 0.00 C ATOM 1260 CD GLN A 85 70.640 -6.341 5.015 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.087 -7.386 5.658 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.980 -6.143 3.866 1.00 0.00 N flip ATOM 0 H GLN A 85 66.549 -5.591 3.417 1.00 0.00 H new ATOM 0 HA GLN A 85 68.515 -7.430 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.572 -4.856 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.688 -4.606 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.147 -4.393 5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.486 -5.726 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.631 -5.327 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.615 -6.793 3.403 1.00 0.00 H new ATOM 1271 N MET A 86 66.274 -6.196 6.654 1.00 0.00 N ATOM 1272 CA MET A 86 65.570 -6.530 7.921 1.00 0.00 C ATOM 1273 C MET A 86 64.741 -7.801 7.737 1.00 0.00 C ATOM 1274 O MET A 86 64.399 -8.473 8.688 1.00 0.00 O ATOM 1275 CB MET A 86 64.665 -5.333 8.206 1.00 0.00 C ATOM 1276 CG MET A 86 65.024 -4.743 9.569 1.00 0.00 C ATOM 1277 SD MET A 86 63.634 -3.765 10.191 1.00 0.00 S ATOM 1278 CE MET A 86 63.479 -4.587 11.796 1.00 0.00 C ATOM 0 H MET A 86 66.081 -5.267 6.281 1.00 0.00 H new ATOM 0 HA MET A 86 66.262 -6.715 8.743 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.784 -4.579 7.428 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.620 -5.642 8.194 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.263 -5.542 10.271 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.913 -4.118 9.483 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.480 -5.012 11.892 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.221 -5.382 11.871 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.643 -3.862 12.593 1.00 0.00 H new ATOM 1288 N LYS A 87 64.421 -8.144 6.519 1.00 0.00 N ATOM 1289 CA LYS A 87 63.624 -9.380 6.290 1.00 0.00 C ATOM 1290 C LYS A 87 64.253 -10.537 7.065 1.00 0.00 C ATOM 1291 O LYS A 87 63.600 -11.504 7.406 1.00 0.00 O ATOM 1292 CB LYS A 87 63.705 -9.633 4.784 1.00 0.00 C ATOM 1293 CG LYS A 87 62.432 -9.117 4.110 1.00 0.00 C ATOM 1294 CD LYS A 87 61.668 -10.290 3.493 1.00 0.00 C ATOM 1295 CE LYS A 87 61.643 -10.137 1.970 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.304 -10.640 1.555 1.00 0.00 N ATOM 0 H LYS A 87 64.675 -7.625 5.678 1.00 0.00 H new ATOM 0 HA LYS A 87 62.591 -9.285 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.579 -9.132 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.826 -10.699 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.805 -8.604 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.686 -8.389 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.143 -11.232 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.651 -10.321 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.783 -9.097 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.443 -10.711 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.211 -10.567 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.202 -11.634 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.563 -10.070 2.010 1.00 0.00 H new ATOM 1310 N GLU A 88 65.523 -10.436 7.353 1.00 0.00 N ATOM 1311 CA GLU A 88 66.206 -11.518 8.115 1.00 0.00 C ATOM 1312 C GLU A 88 66.292 -11.139 9.596 1.00 0.00 C ATOM 1313 O GLU A 88 66.125 -11.966 10.469 1.00 0.00 O ATOM 1314 CB GLU A 88 67.604 -11.607 7.504 1.00 0.00 C ATOM 1315 CG GLU A 88 67.588 -12.593 6.333 1.00 0.00 C ATOM 1316 CD GLU A 88 68.893 -13.390 6.321 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.908 -12.837 6.713 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.857 -14.542 5.920 1.00 0.00 O ATOM 0 H GLU A 88 66.117 -9.649 7.092 1.00 0.00 H new ATOM 0 HA GLU A 88 65.675 -12.468 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.926 -10.624 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.322 -11.932 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.737 -13.269 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.469 -12.055 5.392 1.00 0.00 H new ATOM 1325 N ASP A 89 66.549 -9.890 9.885 1.00 0.00 N ATOM 1326 CA ASP A 89 66.643 -9.460 11.311 1.00 0.00 C ATOM 1327 C ASP A 89 65.243 -9.246 11.890 1.00 0.00 C ATOM 1328 O ASP A 89 65.000 -9.481 13.057 1.00 0.00 O ATOM 1329 CB ASP A 89 67.415 -8.141 11.276 1.00 0.00 C ATOM 1330 CG ASP A 89 67.755 -7.713 12.706 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.766 -8.164 13.215 1.00 0.00 O ATOM 1332 OD2 ASP A 89 66.995 -6.941 13.268 1.00 0.00 O ATOM 0 H ASP A 89 66.697 -9.151 9.197 1.00 0.00 H new ATOM 0 HA ASP A 89 67.136 -10.205 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.328 -8.257 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.819 -7.371 10.786 1.00 0.00 H new ATOM 1337 N ALA A 90 64.320 -8.801 11.082 1.00 0.00 N ATOM 1338 CA ALA A 90 62.935 -8.571 11.585 1.00 0.00 C ATOM 1339 C ALA A 90 62.190 -9.902 11.712 1.00 0.00 C ATOM 1340 O ALA A 90 62.836 -10.932 11.609 1.00 0.00 O ATOM 1341 CB ALA A 90 62.273 -7.683 10.530 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.987 -9.868 11.910 1.00 0.00 O ATOM 0 H ALA A 90 64.465 -8.587 10.095 1.00 0.00 H new ATOM 0 HA ALA A 90 62.925 -8.108 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.247 -7.468 10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.828 -6.749 10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.272 -8.198 9.570 1.00 0.00 H new