USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 88:sc= 0.928 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 54:sc= -2.25! USER MOD Single : A 37 CYS SG : rot 89:sc= -1.03 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 THR OG1 : rot 86:sc= 0.0389 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0078 (180deg=-0.0773) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -18.176 -8.118 -21.470 1.00 0.00 N ATOM 96 CA GLY A 7 -18.766 -6.819 -21.192 1.00 0.00 C ATOM 97 C GLY A 7 -19.747 -6.902 -20.021 1.00 0.00 C ATOM 98 O GLY A 7 -19.602 -6.185 -19.032 1.00 0.00 O ATOM 0 HA2 GLY A 7 -17.980 -6.100 -20.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.283 -6.453 -22.079 1.00 0.00 H new ATOM 102 N TYR A 8 -20.725 -7.783 -20.172 1.00 0.00 N ATOM 103 CA TYR A 8 -21.731 -7.969 -19.139 1.00 0.00 C ATOM 104 C TYR A 8 -21.080 -8.126 -17.763 1.00 0.00 C ATOM 105 O TYR A 8 -21.473 -7.460 -16.807 1.00 0.00 O ATOM 106 CB TYR A 8 -22.465 -9.263 -19.494 1.00 0.00 C ATOM 107 CG TYR A 8 -23.669 -9.063 -20.417 1.00 0.00 C ATOM 108 CD1 TYR A 8 -24.823 -8.482 -19.930 1.00 0.00 C ATOM 109 CD2 TYR A 8 -23.601 -9.462 -21.736 1.00 0.00 C ATOM 110 CE1 TYR A 8 -25.956 -8.293 -20.798 1.00 0.00 C ATOM 111 CE2 TYR A 8 -24.734 -9.273 -22.604 1.00 0.00 C ATOM 112 CZ TYR A 8 -25.855 -8.698 -22.093 1.00 0.00 C ATOM 113 OH TYR A 8 -26.925 -8.520 -22.913 1.00 0.00 O ATOM 0 H TYR A 8 -20.843 -8.376 -20.994 1.00 0.00 H new ATOM 0 HA TYR A 8 -22.399 -7.109 -19.093 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -21.764 -9.947 -19.972 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -22.801 -9.742 -18.574 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.876 -8.169 -18.898 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -22.698 -9.916 -22.117 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.865 -7.840 -20.430 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.694 -9.581 -23.638 1.00 0.00 H new ATOM 0 HH TYR A 8 -26.710 -8.855 -23.809 1.00 0.00 H new ATOM 123 N ALA A 9 -20.097 -9.012 -17.706 1.00 0.00 N ATOM 124 CA ALA A 9 -19.388 -9.265 -16.463 1.00 0.00 C ATOM 125 C ALA A 9 -18.801 -7.953 -15.940 1.00 0.00 C ATOM 126 O ALA A 9 -18.761 -7.725 -14.732 1.00 0.00 O ATOM 127 CB ALA A 9 -18.317 -10.333 -16.695 1.00 0.00 C ATOM 0 H ALA A 9 -19.774 -9.564 -18.501 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.069 -9.647 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.785 -10.523 -15.763 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.789 -11.254 -17.037 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.613 -9.984 -17.450 1.00 0.00 H new ATOM 133 N ALA A 10 -18.358 -7.125 -16.875 1.00 0.00 N ATOM 134 CA ALA A 10 -17.774 -5.842 -16.523 1.00 0.00 C ATOM 135 C ALA A 10 -18.872 -4.915 -15.996 1.00 0.00 C ATOM 136 O ALA A 10 -18.608 -4.042 -15.169 1.00 0.00 O ATOM 137 CB ALA A 10 -17.052 -5.259 -17.738 1.00 0.00 C ATOM 0 H ALA A 10 -18.392 -7.318 -17.876 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.034 -5.961 -15.731 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.614 -4.297 -17.474 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.264 -5.942 -18.055 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.763 -5.123 -18.553 1.00 0.00 H new ATOM 143 N LEU A 11 -20.079 -5.135 -16.496 1.00 0.00 N ATOM 144 CA LEU A 11 -21.217 -4.330 -16.087 1.00 0.00 C ATOM 145 C LEU A 11 -21.535 -4.615 -14.618 1.00 0.00 C ATOM 146 O LEU A 11 -21.547 -3.702 -13.793 1.00 0.00 O ATOM 147 CB LEU A 11 -22.401 -4.558 -17.028 1.00 0.00 C ATOM 148 CG LEU A 11 -22.921 -3.321 -17.763 1.00 0.00 C ATOM 149 CD1 LEU A 11 -21.889 -2.807 -18.769 1.00 0.00 C ATOM 150 CD2 LEU A 11 -24.273 -3.603 -18.422 1.00 0.00 C ATOM 0 H LEU A 11 -20.294 -5.860 -17.181 1.00 0.00 H new ATOM 0 HA LEU A 11 -20.980 -3.269 -16.163 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.112 -5.302 -17.770 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.221 -4.985 -16.451 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.079 -2.529 -17.031 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.284 -1.927 -19.278 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.971 -2.542 -18.245 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.676 -3.585 -19.502 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -24.620 -2.708 -18.938 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.165 -4.416 -19.140 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.998 -3.886 -17.659 1.00 0.00 H new ATOM 162 N VAL A 12 -21.785 -5.885 -14.335 1.00 0.00 N ATOM 163 CA VAL A 12 -22.103 -6.302 -12.980 1.00 0.00 C ATOM 164 C VAL A 12 -20.932 -5.957 -12.057 1.00 0.00 C ATOM 165 O VAL A 12 -21.134 -5.623 -10.890 1.00 0.00 O ATOM 166 CB VAL A 12 -22.461 -7.789 -12.960 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.787 -8.043 -13.680 1.00 0.00 C ATOM 168 CG2 VAL A 12 -21.337 -8.632 -13.566 1.00 0.00 C ATOM 0 H VAL A 12 -21.774 -6.639 -15.022 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.977 -5.766 -12.611 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.582 -8.091 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -24.018 -9.108 -13.651 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.582 -7.485 -13.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.706 -7.717 -14.717 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -21.617 -9.685 -13.539 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.170 -8.327 -14.599 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.422 -8.485 -12.992 1.00 0.00 H new ATOM 178 N THR A 13 -19.734 -6.049 -12.615 1.00 0.00 N ATOM 179 CA THR A 13 -18.531 -5.750 -11.856 1.00 0.00 C ATOM 180 C THR A 13 -18.554 -4.301 -11.368 1.00 0.00 C ATOM 181 O THR A 13 -18.426 -4.043 -10.172 1.00 0.00 O ATOM 182 CB THR A 13 -17.324 -6.075 -12.738 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.327 -7.498 -12.822 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.994 -5.746 -12.055 1.00 0.00 C ATOM 0 H THR A 13 -19.570 -6.326 -13.583 1.00 0.00 H new ATOM 0 HA THR A 13 -18.469 -6.361 -10.956 1.00 0.00 H new ATOM 0 HB THR A 13 -17.399 -5.521 -13.674 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.887 -7.780 -13.575 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.170 -5.996 -12.724 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.960 -4.683 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.904 -6.325 -11.136 1.00 0.00 H new ATOM 192 N PHE A 14 -18.719 -3.392 -12.318 1.00 0.00 N ATOM 193 CA PHE A 14 -18.761 -1.975 -12.000 1.00 0.00 C ATOM 194 C PHE A 14 -19.906 -1.664 -11.034 1.00 0.00 C ATOM 195 O PHE A 14 -19.676 -1.162 -9.934 1.00 0.00 O ATOM 196 CB PHE A 14 -19.000 -1.228 -13.313 1.00 0.00 C ATOM 197 CG PHE A 14 -18.395 0.176 -13.350 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.053 0.335 -13.504 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.198 1.267 -13.228 1.00 0.00 C ATOM 200 CE1 PHE A 14 -16.491 1.638 -13.538 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.636 2.570 -13.262 1.00 0.00 C ATOM 202 CZ PHE A 14 -17.295 2.729 -13.417 1.00 0.00 C ATOM 0 H PHE A 14 -18.825 -3.610 -13.309 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.828 -1.673 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.584 -1.813 -14.133 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.074 -1.154 -13.487 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.415 -0.531 -13.600 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.264 1.142 -13.105 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.425 1.763 -13.660 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.274 3.436 -13.165 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.868 3.721 -13.444 1.00 0.00 H new ATOM 212 N GLY A 15 -21.114 -1.974 -11.480 1.00 0.00 N ATOM 213 CA GLY A 15 -22.296 -1.733 -10.669 1.00 0.00 C ATOM 214 C GLY A 15 -22.149 -2.369 -9.284 1.00 0.00 C ATOM 215 O GLY A 15 -22.059 -1.664 -8.280 1.00 0.00 O ATOM 0 H GLY A 15 -21.300 -2.390 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.458 -0.660 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.174 -2.141 -11.169 1.00 0.00 H new ATOM 219 N SER A 16 -22.130 -3.694 -9.276 1.00 0.00 N ATOM 220 CA SER A 16 -21.996 -4.432 -8.031 1.00 0.00 C ATOM 221 C SER A 16 -20.962 -3.754 -7.130 1.00 0.00 C ATOM 222 O SER A 16 -21.237 -3.477 -5.963 1.00 0.00 O ATOM 223 CB SER A 16 -21.599 -5.886 -8.294 1.00 0.00 C ATOM 224 OG SER A 16 -21.687 -6.684 -7.117 1.00 0.00 O ATOM 0 H SER A 16 -22.205 -4.275 -10.111 1.00 0.00 H new ATOM 0 HA SER A 16 -22.963 -4.433 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.246 -6.305 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.580 -5.920 -8.680 1.00 0.00 H new ATOM 0 HG SER A 16 -21.427 -7.605 -7.326 1.00 0.00 H new ATOM 230 N ILE A 17 -19.794 -3.507 -7.704 1.00 0.00 N ATOM 231 CA ILE A 17 -18.718 -2.867 -6.967 1.00 0.00 C ATOM 232 C ILE A 17 -19.261 -1.628 -6.252 1.00 0.00 C ATOM 233 O ILE A 17 -19.048 -1.455 -5.053 1.00 0.00 O ATOM 234 CB ILE A 17 -17.535 -2.574 -7.892 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.698 -3.834 -8.127 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.691 -1.418 -7.353 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.705 -3.626 -9.272 1.00 0.00 C ATOM 0 H ILE A 17 -19.569 -3.739 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.333 -3.536 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.927 -2.262 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.159 -4.092 -7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.354 -4.673 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.857 -1.230 -8.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.307 -0.522 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.307 -1.677 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.123 -4.536 -9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.249 -3.392 -10.187 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.035 -2.802 -9.027 1.00 0.00 H new ATOM 249 N PHE A 18 -19.953 -0.798 -7.019 1.00 0.00 N ATOM 250 CA PHE A 18 -20.529 0.420 -6.474 1.00 0.00 C ATOM 251 C PHE A 18 -21.501 0.105 -5.336 1.00 0.00 C ATOM 252 O PHE A 18 -21.618 0.875 -4.384 1.00 0.00 O ATOM 253 CB PHE A 18 -21.295 1.099 -7.611 1.00 0.00 C ATOM 254 CG PHE A 18 -21.643 2.564 -7.338 1.00 0.00 C ATOM 255 CD1 PHE A 18 -22.788 2.879 -6.675 1.00 0.00 C ATOM 256 CD2 PHE A 18 -20.808 3.551 -7.759 1.00 0.00 C ATOM 257 CE1 PHE A 18 -23.111 4.238 -6.422 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.131 4.910 -7.506 1.00 0.00 C ATOM 259 CZ PHE A 18 -22.276 5.225 -6.843 1.00 0.00 C ATOM 0 H PHE A 18 -20.128 -0.945 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.741 1.059 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.699 1.041 -8.522 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.216 0.546 -7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -23.452 2.095 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -19.899 3.301 -8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -24.020 4.488 -5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.467 5.694 -7.840 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.522 6.259 -6.651 1.00 0.00 H new ATOM 269 N GLY A 19 -22.174 -1.028 -5.471 1.00 0.00 N ATOM 270 CA GLY A 19 -23.132 -1.454 -4.465 1.00 0.00 C ATOM 271 C GLY A 19 -22.421 -2.053 -3.250 1.00 0.00 C ATOM 272 O GLY A 19 -22.999 -2.136 -2.167 1.00 0.00 O ATOM 0 H GLY A 19 -22.075 -1.664 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.739 -0.604 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.811 -2.191 -4.893 1.00 0.00 H new ATOM 276 N TYR A 20 -21.178 -2.454 -3.469 1.00 0.00 N ATOM 277 CA TYR A 20 -20.382 -3.043 -2.405 1.00 0.00 C ATOM 278 C TYR A 20 -21.237 -3.954 -1.522 1.00 0.00 C ATOM 279 O TYR A 20 -21.850 -3.495 -0.559 1.00 0.00 O ATOM 280 CB TYR A 20 -19.870 -1.871 -1.564 1.00 0.00 C ATOM 281 CG TYR A 20 -18.404 -2.000 -1.146 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.413 -2.030 -2.105 1.00 0.00 C ATOM 283 CD2 TYR A 20 -18.073 -2.085 0.191 1.00 0.00 C ATOM 284 CE1 TYR A 20 -16.033 -2.151 -1.711 1.00 0.00 C ATOM 285 CE2 TYR A 20 -16.694 -2.206 0.585 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.742 -2.233 -0.385 1.00 0.00 C ATOM 287 OH TYR A 20 -14.439 -2.347 -0.013 1.00 0.00 O ATOM 0 H TYR A 20 -20.702 -2.383 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.573 -3.646 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.996 -0.948 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -20.486 -1.783 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.672 -1.963 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.849 -2.061 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.247 -2.176 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.422 -2.274 1.628 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.381 -2.395 0.964 1.00 0.00 H new ATOM 297 N LYS A 21 -21.249 -5.229 -1.881 1.00 0.00 N ATOM 298 CA LYS A 21 -22.018 -6.209 -1.133 1.00 0.00 C ATOM 299 C LYS A 21 -21.103 -7.366 -0.725 1.00 0.00 C ATOM 300 O LYS A 21 -21.580 -8.432 -0.338 1.00 0.00 O ATOM 301 CB LYS A 21 -23.247 -6.649 -1.931 1.00 0.00 C ATOM 302 CG LYS A 21 -22.836 -7.326 -3.240 1.00 0.00 C ATOM 303 CD LYS A 21 -23.397 -8.748 -3.322 1.00 0.00 C ATOM 304 CE LYS A 21 -22.620 -9.586 -4.339 1.00 0.00 C ATOM 305 NZ LYS A 21 -23.210 -10.938 -4.456 1.00 0.00 N ATOM 0 H LYS A 21 -20.739 -5.606 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 21 -22.405 -5.768 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -23.846 -7.337 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -23.874 -5.784 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.196 -6.740 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.749 -7.355 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.345 -9.220 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.449 -8.712 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.632 -9.092 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.576 -9.663 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.670 -11.493 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.176 -11.413 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.199 -10.859 -4.769 1.00 0.00 H new ATOM 319 N ARG A 22 -19.806 -7.116 -0.826 1.00 0.00 N ATOM 320 CA ARG A 22 -18.820 -8.123 -0.473 1.00 0.00 C ATOM 321 C ARG A 22 -17.409 -7.542 -0.571 1.00 0.00 C ATOM 322 O ARG A 22 -17.212 -6.475 -1.151 1.00 0.00 O ATOM 323 CB ARG A 22 -18.926 -9.343 -1.390 1.00 0.00 C ATOM 324 CG ARG A 22 -19.012 -10.636 -0.575 1.00 0.00 C ATOM 325 CD ARG A 22 -20.459 -11.119 -0.464 1.00 0.00 C ATOM 326 NE ARG A 22 -20.515 -12.590 -0.619 1.00 0.00 N ATOM 327 CZ ARG A 22 -21.624 -13.322 -0.447 1.00 0.00 C ATOM 328 NH1 ARG A 22 -22.776 -12.724 -0.114 1.00 0.00 N ATOM 329 NH2 ARG A 22 -21.581 -14.651 -0.608 1.00 0.00 N ATOM 0 H ARG A 22 -19.415 -6.230 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.018 -8.435 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.807 -9.250 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.060 -9.382 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.402 -11.408 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.603 -10.470 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.874 -10.831 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.070 -10.641 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.655 -13.077 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.808 -11.712 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.620 -13.281 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.704 -15.106 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.425 -15.208 -0.477 1.00 0.00 H new ATOM 343 N ARG A 23 -16.463 -8.268 0.007 1.00 0.00 N ATOM 344 CA ARG A 23 -15.075 -7.837 -0.008 1.00 0.00 C ATOM 345 C ARG A 23 -14.308 -8.555 -1.121 1.00 0.00 C ATOM 346 O ARG A 23 -14.779 -9.556 -1.658 1.00 0.00 O ATOM 347 CB ARG A 23 -14.396 -8.119 1.334 1.00 0.00 C ATOM 348 CG ARG A 23 -14.140 -9.617 1.514 1.00 0.00 C ATOM 349 CD ARG A 23 -14.308 -10.029 2.978 1.00 0.00 C ATOM 350 NE ARG A 23 -14.725 -11.446 3.060 1.00 0.00 N ATOM 351 CZ ARG A 23 -15.071 -12.063 4.198 1.00 0.00 C ATOM 352 NH1 ARG A 23 -15.050 -11.391 5.357 1.00 0.00 N ATOM 353 NH2 ARG A 23 -15.436 -13.352 4.178 1.00 0.00 N ATOM 0 H ARG A 23 -16.630 -9.152 0.488 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.064 -6.762 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.453 -7.576 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.023 -7.753 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.831 -10.185 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.132 -9.861 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.370 -9.886 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.051 -9.394 3.460 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.751 -11.987 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.771 -10.410 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.313 -11.860 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.451 -13.864 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.699 -13.821 5.045 1.00 0.00 H new ATOM 367 N GLY A 24 -13.139 -8.015 -1.434 1.00 0.00 N ATOM 368 CA GLY A 24 -12.303 -8.592 -2.472 1.00 0.00 C ATOM 369 C GLY A 24 -11.911 -10.030 -2.126 1.00 0.00 C ATOM 370 O GLY A 24 -12.761 -10.919 -2.101 1.00 0.00 O ATOM 0 H GLY A 24 -12.752 -7.184 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.835 -8.575 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.405 -7.987 -2.598 1.00 0.00 H new ATOM 374 N GLY A 25 -10.625 -10.213 -1.868 1.00 0.00 N ATOM 375 CA GLY A 25 -10.111 -11.528 -1.524 1.00 0.00 C ATOM 376 C GLY A 25 -8.616 -11.465 -1.202 1.00 0.00 C ATOM 377 O GLY A 25 -8.200 -11.816 -0.099 1.00 0.00 O ATOM 0 H GLY A 25 -9.923 -9.473 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.655 -11.922 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.280 -12.216 -2.352 1.00 0.00 H new ATOM 381 N VAL A 26 -7.850 -11.016 -2.185 1.00 0.00 N ATOM 382 CA VAL A 26 -6.411 -10.903 -2.020 1.00 0.00 C ATOM 383 C VAL A 26 -6.102 -10.377 -0.617 1.00 0.00 C ATOM 384 O VAL A 26 -6.200 -9.177 -0.364 1.00 0.00 O ATOM 385 CB VAL A 26 -5.824 -10.027 -3.129 1.00 0.00 C ATOM 386 CG1 VAL A 26 -4.325 -9.804 -2.917 1.00 0.00 C ATOM 387 CG2 VAL A 26 -6.099 -10.631 -4.508 1.00 0.00 C ATOM 0 H VAL A 26 -8.199 -10.726 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.939 -11.881 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.316 -9.056 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.933 -9.178 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.163 -9.310 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.810 -10.765 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.671 -9.989 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.647 -11.621 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.175 -10.714 -4.661 1.00 0.00 H new ATOM 397 N PRO A 27 -5.726 -11.326 0.282 1.00 0.00 N ATOM 398 CA PRO A 27 -5.403 -10.970 1.654 1.00 0.00 C ATOM 399 C PRO A 27 -4.031 -10.298 1.737 1.00 0.00 C ATOM 400 O PRO A 27 -3.071 -10.895 2.221 1.00 0.00 O ATOM 401 CB PRO A 27 -5.471 -12.278 2.425 1.00 0.00 C ATOM 402 CG PRO A 27 -5.372 -13.382 1.385 1.00 0.00 C ATOM 403 CD PRO A 27 -5.599 -12.756 0.018 1.00 0.00 C ATOM 0 HA PRO A 27 -6.094 -10.239 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.658 -12.348 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.403 -12.353 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.394 -13.860 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.114 -14.156 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.767 -12.962 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.497 -13.153 -0.455 1.00 0.00 H new ATOM 411 N SER A 28 -3.982 -9.064 1.257 1.00 0.00 N ATOM 412 CA SER A 28 -2.744 -8.304 1.271 1.00 0.00 C ATOM 413 C SER A 28 -3.013 -6.858 0.850 1.00 0.00 C ATOM 414 O SER A 28 -2.869 -5.937 1.652 1.00 0.00 O ATOM 415 CB SER A 28 -1.698 -8.938 0.352 1.00 0.00 C ATOM 416 OG SER A 28 -0.668 -9.592 1.088 1.00 0.00 O ATOM 0 H SER A 28 -4.780 -8.572 0.856 1.00 0.00 H new ATOM 0 HA SER A 28 -2.349 -8.313 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.183 -9.656 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.258 -8.168 -0.282 1.00 0.00 H new ATOM 0 HG SER A 28 -1.068 -10.236 1.709 1.00 0.00 H new ATOM 422 N LEU A 29 -3.399 -6.703 -0.408 1.00 0.00 N ATOM 423 CA LEU A 29 -3.689 -5.385 -0.946 1.00 0.00 C ATOM 424 C LEU A 29 -4.479 -4.580 0.088 1.00 0.00 C ATOM 425 O LEU A 29 -4.141 -3.434 0.379 1.00 0.00 O ATOM 426 CB LEU A 29 -4.389 -5.501 -2.301 1.00 0.00 C ATOM 427 CG LEU A 29 -4.254 -4.293 -3.231 1.00 0.00 C ATOM 428 CD1 LEU A 29 -3.106 -4.490 -4.222 1.00 0.00 C ATOM 429 CD2 LEU A 29 -5.578 -3.996 -3.939 1.00 0.00 C ATOM 0 H LEU A 29 -3.518 -7.469 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.765 -4.840 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.996 -6.377 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.449 -5.683 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.010 -3.421 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.032 -3.617 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.171 -4.616 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.295 -5.377 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.455 -3.133 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.876 -4.861 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.347 -3.782 -3.197 1.00 0.00 H new ATOM 441 N ILE A 30 -5.518 -5.212 0.614 1.00 0.00 N ATOM 442 CA ILE A 30 -6.360 -4.570 1.609 1.00 0.00 C ATOM 443 C ILE A 30 -5.478 -3.970 2.707 1.00 0.00 C ATOM 444 O ILE A 30 -5.611 -2.794 3.042 1.00 0.00 O ATOM 445 CB ILE A 30 -7.413 -5.548 2.133 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.396 -5.939 1.028 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.127 -4.980 3.361 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.305 -4.764 0.663 1.00 0.00 C ATOM 0 H ILE A 30 -5.796 -6.162 0.370 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.918 -3.747 1.161 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.905 -6.459 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.846 -6.266 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.002 -6.784 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.870 -5.695 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.400 -4.794 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.621 -4.045 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.994 -5.068 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.871 -4.456 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.698 -3.930 0.312 1.00 0.00 H new ATOM 460 N ALA A 31 -4.596 -4.806 3.235 1.00 0.00 N ATOM 461 CA ALA A 31 -3.692 -4.373 4.287 1.00 0.00 C ATOM 462 C ALA A 31 -2.890 -3.165 3.800 1.00 0.00 C ATOM 463 O ALA A 31 -2.573 -2.269 4.581 1.00 0.00 O ATOM 464 CB ALA A 31 -2.794 -5.540 4.702 1.00 0.00 C ATOM 0 H ALA A 31 -4.488 -5.781 2.954 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.252 -4.063 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.116 -5.215 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.410 -6.361 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.215 -5.877 3.842 1.00 0.00 H new ATOM 470 N GLY A 32 -2.584 -3.179 2.510 1.00 0.00 N ATOM 471 CA GLY A 32 -1.825 -2.096 1.909 1.00 0.00 C ATOM 472 C GLY A 32 -2.660 -0.816 1.836 1.00 0.00 C ATOM 473 O GLY A 32 -2.118 0.287 1.891 1.00 0.00 O ATOM 0 H GLY A 32 -2.848 -3.924 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.922 -1.913 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.505 -2.383 0.907 1.00 0.00 H new ATOM 477 N LEU A 33 -3.965 -1.005 1.713 1.00 0.00 N ATOM 478 CA LEU A 33 -4.880 0.120 1.631 1.00 0.00 C ATOM 479 C LEU A 33 -5.035 0.748 3.017 1.00 0.00 C ATOM 480 O LEU A 33 -4.974 1.969 3.160 1.00 0.00 O ATOM 481 CB LEU A 33 -6.206 -0.312 1.001 1.00 0.00 C ATOM 482 CG LEU A 33 -7.191 0.813 0.673 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.059 0.447 -0.532 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.033 1.177 1.897 1.00 0.00 C ATOM 0 H LEU A 33 -4.411 -1.921 1.668 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.477 0.891 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.989 -0.857 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.696 -1.011 1.678 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.619 1.700 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.750 1.263 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.423 0.276 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.624 -0.459 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.725 1.979 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.597 0.303 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.379 1.509 2.703 1.00 0.00 H new ATOM 496 N PHE A 34 -5.231 -0.114 4.004 1.00 0.00 N ATOM 497 CA PHE A 34 -5.395 0.341 5.374 1.00 0.00 C ATOM 498 C PHE A 34 -4.130 1.044 5.873 1.00 0.00 C ATOM 499 O PHE A 34 -4.212 2.050 6.577 1.00 0.00 O ATOM 500 CB PHE A 34 -5.644 -0.901 6.231 1.00 0.00 C ATOM 501 CG PHE A 34 -6.571 -0.658 7.425 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.228 0.250 8.378 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.737 -1.350 7.532 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.088 0.475 9.485 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.596 -1.124 8.640 1.00 0.00 C ATOM 506 CZ PHE A 34 -8.254 -0.216 9.593 1.00 0.00 C ATOM 0 H PHE A 34 -5.280 -1.125 3.882 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.221 1.050 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.073 -1.682 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.688 -1.275 6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.302 0.799 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.009 -2.071 6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.816 1.196 10.242 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.522 -1.674 8.726 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.908 -0.044 10.435 1.00 0.00 H new ATOM 516 N VAL A 35 -2.991 0.488 5.488 1.00 0.00 N ATOM 517 CA VAL A 35 -1.712 1.049 5.887 1.00 0.00 C ATOM 518 C VAL A 35 -1.512 2.397 5.193 1.00 0.00 C ATOM 519 O VAL A 35 -1.469 3.437 5.849 1.00 0.00 O ATOM 520 CB VAL A 35 -0.589 0.053 5.593 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.770 0.755 5.553 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.587 -1.089 6.612 1.00 0.00 C ATOM 0 H VAL A 35 -2.927 -0.346 4.904 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.694 1.231 6.962 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.773 -0.378 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.551 0.024 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.764 1.515 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.965 1.226 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.221 -1.783 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.440 -0.683 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.540 -1.616 6.570 1.00 0.00 H new ATOM 532 N GLY A 36 -1.396 2.336 3.874 1.00 0.00 N ATOM 533 CA GLY A 36 -1.202 3.540 3.084 1.00 0.00 C ATOM 534 C GLY A 36 -2.202 4.626 3.484 1.00 0.00 C ATOM 535 O GLY A 36 -1.820 5.773 3.714 1.00 0.00 O ATOM 0 H GLY A 36 -1.433 1.472 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.185 3.909 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.317 3.307 2.025 1.00 0.00 H new ATOM 539 N CYS A 37 -3.463 4.227 3.557 1.00 0.00 N ATOM 540 CA CYS A 37 -4.521 5.152 3.926 1.00 0.00 C ATOM 541 C CYS A 37 -4.179 5.753 5.291 1.00 0.00 C ATOM 542 O CYS A 37 -4.020 6.967 5.416 1.00 0.00 O ATOM 543 CB CYS A 37 -5.892 4.472 3.930 1.00 0.00 C ATOM 544 SG CYS A 37 -6.446 4.173 2.211 1.00 0.00 S ATOM 0 H CYS A 37 -3.776 3.275 3.367 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.586 5.948 3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.838 3.528 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.616 5.098 4.451 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.011 3.015 1.810 1.00 0.00 H new ATOM 550 N LEU A 38 -4.075 4.877 6.279 1.00 0.00 N ATOM 551 CA LEU A 38 -3.755 5.306 7.630 1.00 0.00 C ATOM 552 C LEU A 38 -2.684 6.397 7.573 1.00 0.00 C ATOM 553 O LEU A 38 -2.763 7.387 8.298 1.00 0.00 O ATOM 554 CB LEU A 38 -3.365 4.106 8.495 1.00 0.00 C ATOM 555 CG LEU A 38 -3.103 4.401 9.973 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.385 4.848 10.678 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.457 3.200 10.666 1.00 0.00 C ATOM 0 H LEU A 38 -4.207 3.871 6.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.631 5.743 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.159 3.362 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.469 3.654 8.071 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.395 5.228 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.171 5.051 11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.765 5.753 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.134 4.059 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.282 3.437 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.121 2.338 10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.508 2.968 10.183 1.00 0.00 H new ATOM 569 N ALA A 39 -1.707 6.178 6.704 1.00 0.00 N ATOM 570 CA ALA A 39 -0.622 7.131 6.544 1.00 0.00 C ATOM 571 C ALA A 39 -1.192 8.473 6.081 1.00 0.00 C ATOM 572 O ALA A 39 -1.218 9.437 6.845 1.00 0.00 O ATOM 573 CB ALA A 39 0.411 6.568 5.566 1.00 0.00 C ATOM 0 H ALA A 39 -1.645 5.355 6.104 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.115 7.299 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.225 7.283 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.806 5.630 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.062 6.390 4.600 1.00 0.00 H new ATOM 579 N GLY A 40 -1.633 8.494 4.832 1.00 0.00 N ATOM 580 CA GLY A 40 -2.201 9.702 4.258 1.00 0.00 C ATOM 581 C GLY A 40 -3.291 10.279 5.163 1.00 0.00 C ATOM 582 O GLY A 40 -3.089 11.308 5.806 1.00 0.00 O ATOM 0 H GLY A 40 -1.608 7.693 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.415 10.443 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.618 9.481 3.276 1.00 0.00 H new ATOM 586 N TYR A 41 -4.423 9.591 5.184 1.00 0.00 N ATOM 587 CA TYR A 41 -5.546 10.022 5.999 1.00 0.00 C ATOM 588 C TYR A 41 -5.073 10.512 7.369 1.00 0.00 C ATOM 589 O TYR A 41 -5.389 11.629 7.776 1.00 0.00 O ATOM 590 CB TYR A 41 -6.428 8.786 6.190 1.00 0.00 C ATOM 591 CG TYR A 41 -7.921 9.098 6.302 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.619 9.537 5.195 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.570 8.942 7.509 1.00 0.00 C ATOM 594 CE1 TYR A 41 -10.025 9.831 5.300 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.976 9.236 7.615 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.634 9.666 6.505 1.00 0.00 C ATOM 597 OH TYR A 41 -11.962 9.943 6.604 1.00 0.00 O ATOM 0 H TYR A 41 -4.587 8.738 4.649 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.076 10.844 5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.271 8.107 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.109 8.260 7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.111 9.660 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.024 8.599 8.375 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.583 10.175 4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.496 9.118 8.554 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.263 9.779 7.522 1.00 0.00 H new ATOM 607 N GLY A 42 -4.322 9.652 8.043 1.00 0.00 N ATOM 608 CA GLY A 42 -3.802 9.984 9.358 1.00 0.00 C ATOM 609 C GLY A 42 -3.130 11.359 9.352 1.00 0.00 C ATOM 610 O GLY A 42 -3.485 12.231 10.143 1.00 0.00 O ATOM 0 H GLY A 42 -4.062 8.726 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.613 9.975 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.084 9.226 9.671 1.00 0.00 H new ATOM 614 N ALA A 43 -2.172 11.509 8.450 1.00 0.00 N ATOM 615 CA ALA A 43 -1.447 12.762 8.330 1.00 0.00 C ATOM 616 C ALA A 43 -2.443 13.904 8.112 1.00 0.00 C ATOM 617 O ALA A 43 -2.188 15.039 8.511 1.00 0.00 O ATOM 618 CB ALA A 43 -0.426 12.656 7.195 1.00 0.00 C ATOM 0 H ALA A 43 -1.881 10.783 7.795 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.896 12.974 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.118 13.597 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.276 11.850 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.943 12.445 6.259 1.00 0.00 H new ATOM 624 N TYR A 44 -3.556 13.562 7.480 1.00 0.00 N ATOM 625 CA TYR A 44 -4.591 14.544 7.205 1.00 0.00 C ATOM 626 C TYR A 44 -5.378 14.881 8.473 1.00 0.00 C ATOM 627 O TYR A 44 -5.864 16.001 8.627 1.00 0.00 O ATOM 628 CB TYR A 44 -5.534 13.890 6.193 1.00 0.00 C ATOM 629 CG TYR A 44 -6.166 14.873 5.205 1.00 0.00 C ATOM 630 CD1 TYR A 44 -5.369 15.759 4.508 1.00 0.00 C ATOM 631 CD2 TYR A 44 -7.532 14.875 5.011 1.00 0.00 C ATOM 632 CE1 TYR A 44 -5.964 16.684 3.579 1.00 0.00 C ATOM 633 CE2 TYR A 44 -8.127 15.800 4.082 1.00 0.00 C ATOM 634 CZ TYR A 44 -7.313 16.659 3.411 1.00 0.00 C ATOM 635 OH TYR A 44 -7.874 17.533 2.534 1.00 0.00 O ATOM 0 H TYR A 44 -3.764 12.619 7.151 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.153 15.469 6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.983 13.133 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.327 13.373 6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.300 15.758 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.155 14.182 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.352 17.383 3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.195 15.812 3.921 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.845 17.401 2.516 1.00 0.00 H new ATOM 645 N ARG A 45 -5.479 13.892 9.349 1.00 0.00 N ATOM 646 CA ARG A 45 -6.199 14.070 10.598 1.00 0.00 C ATOM 647 C ARG A 45 -5.254 14.585 11.686 1.00 0.00 C ATOM 648 O ARG A 45 -5.482 15.649 12.259 1.00 0.00 O ATOM 649 CB ARG A 45 -6.832 12.756 11.061 1.00 0.00 C ATOM 650 CG ARG A 45 -8.356 12.873 11.120 1.00 0.00 C ATOM 651 CD ARG A 45 -9.024 11.629 10.530 1.00 0.00 C ATOM 652 NE ARG A 45 -8.778 10.460 11.403 1.00 0.00 N ATOM 653 CZ ARG A 45 -9.475 10.192 12.516 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.466 11.009 12.898 1.00 0.00 N ATOM 655 NH2 ARG A 45 -9.181 9.108 13.246 1.00 0.00 N ATOM 0 H ARG A 45 -5.074 12.965 9.218 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.990 14.799 10.424 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.551 11.953 10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.446 12.489 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.674 13.006 12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.678 13.758 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.096 11.797 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.633 11.436 9.531 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.031 9.817 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.690 11.834 12.342 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.997 10.806 13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.427 8.486 12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.712 8.904 14.093 1.00 0.00 H new ATOM 669 N VAL A 46 -4.213 13.805 11.938 1.00 0.00 N ATOM 670 CA VAL A 46 -3.232 14.168 12.947 1.00 0.00 C ATOM 671 C VAL A 46 -2.404 15.353 12.444 1.00 0.00 C ATOM 672 O VAL A 46 -2.468 16.444 13.009 1.00 0.00 O ATOM 673 CB VAL A 46 -2.378 12.952 13.308 1.00 0.00 C ATOM 674 CG1 VAL A 46 -1.197 13.355 14.194 1.00 0.00 C ATOM 675 CG2 VAL A 46 -3.223 11.868 13.980 1.00 0.00 C ATOM 0 H VAL A 46 -4.027 12.923 11.461 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.727 14.484 13.865 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.977 12.538 12.383 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.606 12.472 14.436 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.573 14.075 13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.569 13.806 15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.591 11.015 14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.667 12.266 14.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.014 11.550 13.301 1.00 0.00 H new ATOM 685 N SER A 47 -1.647 15.098 11.387 1.00 0.00 N ATOM 686 CA SER A 47 -0.807 16.129 10.802 1.00 0.00 C ATOM 687 C SER A 47 0.469 16.298 11.630 1.00 0.00 C ATOM 688 O SER A 47 0.438 16.185 12.854 1.00 0.00 O ATOM 689 CB SER A 47 -1.556 17.460 10.705 1.00 0.00 C ATOM 690 OG SER A 47 -0.985 18.324 9.726 1.00 0.00 O ATOM 0 H SER A 47 -1.598 14.192 10.921 1.00 0.00 H new ATOM 0 HA SER A 47 -0.539 15.819 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.600 17.271 10.457 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.544 17.955 11.676 1.00 0.00 H new ATOM 0 HG SER A 47 -1.492 19.162 9.693 1.00 0.00 H new ATOM 696 N ASN A 48 1.561 16.564 10.928 1.00 0.00 N ATOM 697 CA ASN A 48 2.845 16.749 11.582 1.00 0.00 C ATOM 698 C ASN A 48 3.937 16.894 10.521 1.00 0.00 C ATOM 699 O ASN A 48 4.891 17.648 10.706 1.00 0.00 O ATOM 700 CB ASN A 48 3.195 15.544 12.458 1.00 0.00 C ATOM 701 CG ASN A 48 3.751 15.994 13.811 1.00 0.00 C ATOM 702 OD1 ASN A 48 3.027 16.205 14.770 1.00 0.00 O ATOM 703 ND2 ASN A 48 5.074 16.127 13.835 1.00 0.00 N ATOM 0 H ASN A 48 1.583 16.656 9.912 1.00 0.00 H new ATOM 0 HA ASN A 48 2.781 17.642 12.204 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.307 14.931 12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.929 14.920 11.948 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.541 16.422 14.692 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.621 15.934 12.996 1.00 0.00 H new ATOM 710 N ASP A 49 3.760 16.162 9.431 1.00 0.00 N ATOM 711 CA ASP A 49 4.719 16.200 8.340 1.00 0.00 C ATOM 712 C ASP A 49 4.022 15.795 7.040 1.00 0.00 C ATOM 713 O ASP A 49 4.142 14.655 6.595 1.00 0.00 O ATOM 714 CB ASP A 49 5.870 15.221 8.583 1.00 0.00 C ATOM 715 CG ASP A 49 7.142 15.849 9.155 1.00 0.00 C ATOM 716 OD1 ASP A 49 7.744 16.744 8.543 1.00 0.00 O ATOM 717 OD2 ASP A 49 7.518 15.377 10.296 1.00 0.00 O ATOM 0 H ASP A 49 2.967 15.539 9.280 1.00 0.00 H new ATOM 0 HA ASP A 49 5.115 17.213 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.528 14.443 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.116 14.732 7.641 1.00 0.00 H new ATOM 780 N VAL A 53 4.692 13.101 -1.123 1.00 0.00 N ATOM 781 CA VAL A 53 4.337 11.730 -0.797 1.00 0.00 C ATOM 782 C VAL A 53 5.551 11.026 -0.187 1.00 0.00 C ATOM 783 O VAL A 53 6.038 10.037 -0.733 1.00 0.00 O ATOM 784 CB VAL A 53 3.795 11.019 -2.038 1.00 0.00 C ATOM 785 CG1 VAL A 53 4.870 10.911 -3.122 1.00 0.00 C ATOM 786 CG2 VAL A 53 3.236 9.641 -1.681 1.00 0.00 C ATOM 0 HA VAL A 53 3.540 11.708 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 53 2.977 11.619 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.458 10.401 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.200 11.910 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.718 10.345 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.857 9.158 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.026 9.029 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.425 9.753 -0.961 1.00 0.00 H new ATOM 796 N LYS A 54 6.004 11.563 0.936 1.00 0.00 N ATOM 797 CA LYS A 54 7.152 10.998 1.626 1.00 0.00 C ATOM 798 C LYS A 54 6.674 9.936 2.618 1.00 0.00 C ATOM 799 O LYS A 54 7.254 8.855 2.705 1.00 0.00 O ATOM 800 CB LYS A 54 7.990 12.106 2.267 1.00 0.00 C ATOM 801 CG LYS A 54 9.484 11.860 2.046 1.00 0.00 C ATOM 802 CD LYS A 54 10.290 13.141 2.272 1.00 0.00 C ATOM 803 CE LYS A 54 10.924 13.151 3.664 1.00 0.00 C ATOM 804 NZ LYS A 54 11.263 14.534 4.069 1.00 0.00 N ATOM 0 H LYS A 54 5.597 12.383 1.386 1.00 0.00 H new ATOM 0 HA LYS A 54 7.814 10.498 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.710 13.070 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.780 12.154 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.833 11.082 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.650 11.496 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.068 13.224 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.640 14.009 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.236 12.712 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.823 12.535 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.692 14.523 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.936 14.940 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.399 15.112 4.087 1.00 0.00 H new ATOM 818 N VAL A 55 5.619 10.282 3.343 1.00 0.00 N ATOM 819 CA VAL A 55 5.056 9.372 4.326 1.00 0.00 C ATOM 820 C VAL A 55 5.016 7.958 3.742 1.00 0.00 C ATOM 821 O VAL A 55 5.554 7.023 4.332 1.00 0.00 O ATOM 822 CB VAL A 55 3.682 9.873 4.775 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.947 8.803 5.586 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.806 11.174 5.570 1.00 0.00 C ATOM 0 H VAL A 55 5.140 11.180 3.269 1.00 0.00 H new ATOM 0 HA VAL A 55 5.682 9.337 5.218 1.00 0.00 H new ATOM 0 HB VAL A 55 3.093 10.081 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.973 9.184 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.811 7.912 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.533 8.550 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.815 11.509 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.421 11.003 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.270 11.938 4.947 1.00 0.00 H new ATOM 834 N SER A 56 4.372 7.847 2.589 1.00 0.00 N ATOM 835 CA SER A 56 4.254 6.563 1.919 1.00 0.00 C ATOM 836 C SER A 56 5.623 5.885 1.843 1.00 0.00 C ATOM 837 O SER A 56 5.750 4.699 2.143 1.00 0.00 O ATOM 838 CB SER A 56 3.664 6.726 0.517 1.00 0.00 C ATOM 839 OG SER A 56 2.659 5.753 0.245 1.00 0.00 O ATOM 0 H SER A 56 3.927 8.625 2.102 1.00 0.00 H new ATOM 0 HA SER A 56 3.577 5.936 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.239 7.725 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.460 6.642 -0.223 1.00 0.00 H new ATOM 0 HG SER A 56 2.306 5.891 -0.659 1.00 0.00 H new ATOM 845 N LEU A 57 6.614 6.667 1.441 1.00 0.00 N ATOM 846 CA LEU A 57 7.969 6.157 1.322 1.00 0.00 C ATOM 847 C LEU A 57 8.408 5.568 2.664 1.00 0.00 C ATOM 848 O LEU A 57 9.070 4.532 2.705 1.00 0.00 O ATOM 849 CB LEU A 57 8.907 7.244 0.791 1.00 0.00 C ATOM 850 CG LEU A 57 10.312 6.784 0.398 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.414 6.560 -1.111 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.371 7.766 0.905 1.00 0.00 C ATOM 0 H LEU A 57 6.505 7.651 1.193 1.00 0.00 H new ATOM 0 HA LEU A 57 8.008 5.350 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.440 7.705 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.000 8.019 1.551 1.00 0.00 H new ATOM 0 HG LEU A 57 10.505 5.825 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.423 6.234 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.699 5.795 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.193 7.491 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.361 7.416 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.191 8.750 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.316 7.832 1.992 1.00 0.00 H new ATOM 864 N PHE A 58 8.022 6.255 3.729 1.00 0.00 N ATOM 865 CA PHE A 58 8.367 5.814 5.070 1.00 0.00 C ATOM 866 C PHE A 58 7.526 4.605 5.483 1.00 0.00 C ATOM 867 O PHE A 58 7.917 3.844 6.367 1.00 0.00 O ATOM 868 CB PHE A 58 8.065 6.978 6.016 1.00 0.00 C ATOM 869 CG PHE A 58 9.283 7.840 6.351 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.990 8.437 5.353 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.661 8.010 7.646 1.00 0.00 C ATOM 872 CE1 PHE A 58 11.120 9.237 5.664 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.792 8.811 7.957 1.00 0.00 C ATOM 874 CZ PHE A 58 11.498 9.407 6.960 1.00 0.00 C ATOM 0 H PHE A 58 7.474 7.114 3.691 1.00 0.00 H new ATOM 0 HA PHE A 58 9.417 5.522 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.299 7.609 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.648 6.582 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.691 8.302 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.101 7.536 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.680 9.711 4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.091 8.947 8.986 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.359 10.015 7.196 1.00 0.00 H new ATOM 884 N THR A 59 6.385 4.465 4.823 1.00 0.00 N ATOM 885 CA THR A 59 5.485 3.361 5.110 1.00 0.00 C ATOM 886 C THR A 59 6.020 2.064 4.499 1.00 0.00 C ATOM 887 O THR A 59 5.963 1.008 5.127 1.00 0.00 O ATOM 888 CB THR A 59 4.093 3.742 4.604 1.00 0.00 C ATOM 889 OG1 THR A 59 3.592 4.630 5.600 1.00 0.00 O ATOM 890 CG2 THR A 59 3.117 2.564 4.630 1.00 0.00 C ATOM 0 H THR A 59 6.064 5.098 4.091 1.00 0.00 H new ATOM 0 HA THR A 59 5.417 3.175 6.182 1.00 0.00 H new ATOM 0 HB THR A 59 4.170 4.127 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.864 5.167 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.144 2.889 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.497 1.763 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.014 2.199 5.652 1.00 0.00 H new ATOM 898 N ALA A 60 6.526 2.186 3.281 1.00 0.00 N ATOM 899 CA ALA A 60 7.070 1.037 2.577 1.00 0.00 C ATOM 900 C ALA A 60 8.403 0.638 3.215 1.00 0.00 C ATOM 901 O ALA A 60 8.640 -0.539 3.482 1.00 0.00 O ATOM 902 CB ALA A 60 7.211 1.368 1.090 1.00 0.00 C ATOM 0 H ALA A 60 6.571 3.064 2.763 1.00 0.00 H new ATOM 0 HA ALA A 60 6.397 0.184 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.619 0.506 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.233 1.616 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.882 2.219 0.969 1.00 0.00 H new ATOM 908 N PHE A 61 9.238 1.642 3.441 1.00 0.00 N ATOM 909 CA PHE A 61 10.540 1.411 4.042 1.00 0.00 C ATOM 910 C PHE A 61 10.400 0.786 5.431 1.00 0.00 C ATOM 911 O PHE A 61 11.039 -0.222 5.730 1.00 0.00 O ATOM 912 CB PHE A 61 11.219 2.775 4.176 1.00 0.00 C ATOM 913 CG PHE A 61 12.746 2.721 4.094 1.00 0.00 C ATOM 914 CD1 PHE A 61 13.367 2.829 2.889 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.483 2.565 5.226 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.784 2.778 2.812 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.900 2.515 5.150 1.00 0.00 C ATOM 918 CZ PHE A 61 15.521 2.622 3.945 1.00 0.00 C ATOM 0 H PHE A 61 9.038 2.617 3.219 1.00 0.00 H new ATOM 0 HA PHE A 61 11.119 0.727 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.846 3.433 3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.932 3.220 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.782 2.954 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.990 2.479 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.276 2.863 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.485 2.392 6.050 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.599 2.583 3.887 1.00 0.00 H new ATOM 928 N PHE A 62 9.559 1.409 6.244 1.00 0.00 N ATOM 929 CA PHE A 62 9.327 0.927 7.594 1.00 0.00 C ATOM 930 C PHE A 62 8.738 -0.485 7.578 1.00 0.00 C ATOM 931 O PHE A 62 9.323 -1.412 8.137 1.00 0.00 O ATOM 932 CB PHE A 62 8.319 1.879 8.242 1.00 0.00 C ATOM 933 CG PHE A 62 7.853 1.440 9.632 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.767 1.189 10.608 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.525 1.301 9.891 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.334 0.782 11.898 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.093 0.894 11.181 1.00 0.00 C ATOM 938 CZ PHE A 62 7.006 0.643 12.157 1.00 0.00 C ATOM 0 H PHE A 62 9.030 2.244 5.993 1.00 0.00 H new ATOM 0 HA PHE A 62 10.268 0.894 8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.767 2.870 8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.450 1.970 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.821 1.299 10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.800 1.500 9.116 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.059 0.583 12.673 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.039 0.784 11.387 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.677 0.333 13.138 1.00 0.00 H new ATOM 948 N LEU A 63 7.587 -0.605 6.932 1.00 0.00 N ATOM 949 CA LEU A 63 6.913 -1.888 6.835 1.00 0.00 C ATOM 950 C LEU A 63 7.944 -2.981 6.543 1.00 0.00 C ATOM 951 O LEU A 63 8.042 -3.960 7.281 1.00 0.00 O ATOM 952 CB LEU A 63 5.779 -1.822 5.810 1.00 0.00 C ATOM 953 CG LEU A 63 4.849 -3.037 5.759 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.863 -3.021 6.929 1.00 0.00 C ATOM 955 CD2 LEU A 63 4.136 -3.124 4.409 1.00 0.00 C ATOM 0 H LEU A 63 7.104 0.166 6.471 1.00 0.00 H new ATOM 0 HA LEU A 63 6.439 -2.142 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.177 -0.937 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.217 -1.683 4.822 1.00 0.00 H new ATOM 0 HG LEU A 63 5.455 -3.937 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.214 -3.895 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.414 -3.042 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.258 -2.115 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.482 -3.996 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.543 -2.223 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.875 -3.216 3.613 1.00 0.00 H new ATOM 967 N ALA A 64 8.686 -2.776 5.465 1.00 0.00 N ATOM 968 CA ALA A 64 9.706 -3.731 5.066 1.00 0.00 C ATOM 969 C ALA A 64 10.617 -4.026 6.259 1.00 0.00 C ATOM 970 O ALA A 64 10.859 -5.186 6.588 1.00 0.00 O ATOM 971 CB ALA A 64 10.478 -3.181 3.865 1.00 0.00 C ATOM 0 H ALA A 64 8.601 -1.963 4.855 1.00 0.00 H new ATOM 0 HA ALA A 64 9.251 -4.672 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.243 -3.897 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.791 -3.016 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.951 -2.237 4.138 1.00 0.00 H new ATOM 977 N THR A 65 11.097 -2.956 6.875 1.00 0.00 N ATOM 978 CA THR A 65 11.976 -3.086 8.025 1.00 0.00 C ATOM 979 C THR A 65 11.316 -3.943 9.107 1.00 0.00 C ATOM 980 O THR A 65 12.000 -4.633 9.861 1.00 0.00 O ATOM 981 CB THR A 65 12.340 -1.679 8.503 1.00 0.00 C ATOM 982 OG1 THR A 65 13.364 -1.261 7.604 1.00 0.00 O ATOM 983 CG2 THR A 65 13.025 -1.684 9.871 1.00 0.00 C ATOM 0 H THR A 65 10.894 -1.995 6.600 1.00 0.00 H new ATOM 0 HA THR A 65 12.898 -3.604 7.761 1.00 0.00 H new ATOM 0 HB THR A 65 11.439 -1.068 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.957 -0.861 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.262 -0.661 10.163 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.358 -2.127 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.944 -2.267 9.816 1.00 0.00 H new ATOM 991 N ILE A 66 9.993 -3.871 9.149 1.00 0.00 N ATOM 992 CA ILE A 66 9.233 -4.632 10.126 1.00 0.00 C ATOM 993 C ILE A 66 9.140 -6.090 9.670 1.00 0.00 C ATOM 994 O ILE A 66 9.063 -6.998 10.496 1.00 0.00 O ATOM 995 CB ILE A 66 7.873 -3.978 10.374 1.00 0.00 C ATOM 996 CG1 ILE A 66 8.038 -2.532 10.847 1.00 0.00 C ATOM 997 CG2 ILE A 66 7.034 -4.808 11.348 1.00 0.00 C ATOM 998 CD1 ILE A 66 9.186 -2.412 11.851 1.00 0.00 C ATOM 0 H ILE A 66 9.429 -3.297 8.522 1.00 0.00 H new ATOM 0 HA ILE A 66 9.742 -4.630 11.090 1.00 0.00 H new ATOM 0 HB ILE A 66 7.331 -3.948 9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.230 -1.885 9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.111 -2.188 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.072 -4.320 11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.872 -5.803 10.933 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.559 -4.893 12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.282 -1.375 12.171 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.980 -3.042 12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.115 -2.734 11.381 1.00 0.00 H new ATOM 1010 N MET A 67 9.151 -6.268 8.357 1.00 0.00 N ATOM 1011 CA MET A 67 9.070 -7.600 7.782 1.00 0.00 C ATOM 1012 C MET A 67 10.434 -8.293 7.806 1.00 0.00 C ATOM 1013 O MET A 67 10.573 -9.379 8.366 1.00 0.00 O ATOM 1014 CB MET A 67 8.571 -7.503 6.339 1.00 0.00 C ATOM 1015 CG MET A 67 7.136 -8.021 6.218 1.00 0.00 C ATOM 1016 SD MET A 67 6.434 -7.515 4.657 1.00 0.00 S ATOM 1017 CE MET A 67 5.490 -8.975 4.254 1.00 0.00 C ATOM 0 H MET A 67 9.215 -5.512 7.675 1.00 0.00 H new ATOM 0 HA MET A 67 8.374 -8.191 8.378 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.617 -6.467 6.004 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.226 -8.079 5.685 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.125 -9.108 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.531 -7.637 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.983 -8.829 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.159 -9.832 4.181 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.750 -9.157 5.034 1.00 0.00 H new ATOM 1027 N GLY A 68 11.406 -7.635 7.192 1.00 0.00 N ATOM 1028 CA GLY A 68 12.754 -8.174 7.135 1.00 0.00 C ATOM 1029 C GLY A 68 12.890 -9.194 6.003 1.00 0.00 C ATOM 1030 O GLY A 68 13.169 -10.367 6.249 1.00 0.00 O ATOM 0 H GLY A 68 11.287 -6.734 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.467 -7.363 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.001 -8.646 8.086 1.00 0.00 H new ATOM 1231 N PRO A 79 5.129 -11.485 -2.155 1.00 0.00 N ATOM 1232 CA PRO A 79 4.273 -10.311 -2.119 1.00 0.00 C ATOM 1233 C PRO A 79 4.783 -9.231 -3.076 1.00 0.00 C ATOM 1234 O PRO A 79 4.984 -8.086 -2.674 1.00 0.00 O ATOM 1235 CB PRO A 79 4.275 -9.867 -0.666 1.00 0.00 C ATOM 1236 CG PRO A 79 5.492 -10.521 -0.032 1.00 0.00 C ATOM 1237 CD PRO A 79 5.989 -11.600 -0.981 1.00 0.00 C ATOM 0 HA PRO A 79 3.258 -10.520 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.331 -8.781 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.359 -10.175 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.272 -9.782 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.233 -10.953 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.036 -11.447 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.914 -12.589 -0.530 1.00 0.00 H new ATOM 1245 N ALA A 80 4.977 -9.634 -4.323 1.00 0.00 N ATOM 1246 CA ALA A 80 5.460 -8.714 -5.339 1.00 0.00 C ATOM 1247 C ALA A 80 4.356 -7.711 -5.678 1.00 0.00 C ATOM 1248 O ALA A 80 4.544 -6.503 -5.536 1.00 0.00 O ATOM 1249 CB ALA A 80 5.925 -9.505 -6.564 1.00 0.00 C ATOM 0 H ALA A 80 4.809 -10.584 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 80 6.317 -8.150 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.287 -8.815 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.729 -10.183 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.090 -10.081 -6.963 1.00 0.00 H new ATOM 1255 N GLY A 81 3.228 -8.247 -6.121 1.00 0.00 N ATOM 1256 CA GLY A 81 2.094 -7.413 -6.481 1.00 0.00 C ATOM 1257 C GLY A 81 1.959 -6.227 -5.524 1.00 0.00 C ATOM 1258 O GLY A 81 1.853 -5.082 -5.961 1.00 0.00 O ATOM 0 H GLY A 81 3.075 -9.249 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.215 -7.049 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.180 -8.007 -6.461 1.00 0.00 H new ATOM 1262 N LEU A 82 1.968 -6.541 -4.237 1.00 0.00 N ATOM 1263 CA LEU A 82 1.849 -5.516 -3.215 1.00 0.00 C ATOM 1264 C LEU A 82 2.748 -4.333 -3.578 1.00 0.00 C ATOM 1265 O LEU A 82 2.281 -3.199 -3.675 1.00 0.00 O ATOM 1266 CB LEU A 82 2.134 -6.102 -1.831 1.00 0.00 C ATOM 1267 CG LEU A 82 0.929 -6.683 -1.088 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.364 -7.767 -0.100 1.00 0.00 C ATOM 1269 CD2 LEU A 82 0.120 -5.578 -0.406 1.00 0.00 C ATOM 0 H LEU A 82 2.056 -7.492 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 82 0.827 -5.139 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.883 -6.887 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.576 -5.321 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 82 0.274 -7.157 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.488 -8.163 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.863 -8.572 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.051 -7.339 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.730 -6.018 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.752 -5.054 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.239 -4.874 -1.157 1.00 0.00 H new ATOM 1281 N VAL A 83 4.024 -4.637 -3.770 1.00 0.00 N ATOM 1282 CA VAL A 83 4.993 -3.613 -4.120 1.00 0.00 C ATOM 1283 C VAL A 83 4.535 -2.897 -5.393 1.00 0.00 C ATOM 1284 O VAL A 83 4.668 -1.680 -5.506 1.00 0.00 O ATOM 1285 CB VAL A 83 6.386 -4.233 -4.251 1.00 0.00 C ATOM 1286 CG1 VAL A 83 7.377 -3.234 -4.852 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.883 -4.755 -2.902 1.00 0.00 C ATOM 0 H VAL A 83 4.409 -5.578 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 83 5.058 -2.864 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 83 6.312 -5.081 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.359 -3.700 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.035 -2.933 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.444 -2.357 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.875 -5.190 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.933 -3.932 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.196 -5.515 -2.531 1.00 0.00 H new ATOM 1297 N ALA A 84 4.005 -3.684 -6.318 1.00 0.00 N ATOM 1298 CA ALA A 84 3.527 -3.141 -7.578 1.00 0.00 C ATOM 1299 C ALA A 84 2.391 -2.153 -7.304 1.00 0.00 C ATOM 1300 O ALA A 84 2.211 -1.188 -8.044 1.00 0.00 O ATOM 1301 CB ALA A 84 3.095 -4.286 -8.496 1.00 0.00 C ATOM 0 H ALA A 84 3.896 -4.693 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 84 4.322 -2.597 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.736 -3.879 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.945 -4.943 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.296 -4.853 -8.019 1.00 0.00 H new ATOM 1307 N GLY A 85 1.654 -2.429 -6.238 1.00 0.00 N ATOM 1308 CA GLY A 85 0.540 -1.577 -5.857 1.00 0.00 C ATOM 1309 C GLY A 85 1.037 -0.241 -5.302 1.00 0.00 C ATOM 1310 O GLY A 85 0.741 0.815 -5.858 1.00 0.00 O ATOM 0 H GLY A 85 1.806 -3.231 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.100 -1.400 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.069 -2.082 -5.108 1.00 0.00 H new ATOM 1314 N LEU A 86 1.784 -0.331 -4.211 1.00 0.00 N ATOM 1315 CA LEU A 86 2.325 0.858 -3.575 1.00 0.00 C ATOM 1316 C LEU A 86 2.925 1.775 -4.642 1.00 0.00 C ATOM 1317 O LEU A 86 2.690 2.982 -4.632 1.00 0.00 O ATOM 1318 CB LEU A 86 3.312 0.472 -2.470 1.00 0.00 C ATOM 1319 CG LEU A 86 2.806 0.628 -1.035 1.00 0.00 C ATOM 1320 CD1 LEU A 86 2.111 1.977 -0.842 1.00 0.00 C ATOM 1321 CD2 LEU A 86 1.904 -0.543 -0.641 1.00 0.00 C ATOM 0 H LEU A 86 2.027 -1.209 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 86 1.532 1.420 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.606 -0.567 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.211 1.078 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 86 3.666 0.611 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.761 2.062 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.814 2.782 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.262 2.049 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.558 -0.407 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.046 -0.583 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.465 -1.475 -0.714 1.00 0.00 H new ATOM 1333 N SER A 87 3.688 1.167 -5.539 1.00 0.00 N ATOM 1334 CA SER A 87 4.323 1.914 -6.611 1.00 0.00 C ATOM 1335 C SER A 87 3.261 2.617 -7.459 1.00 0.00 C ATOM 1336 O SER A 87 3.247 3.843 -7.550 1.00 0.00 O ATOM 1337 CB SER A 87 5.181 0.998 -7.487 1.00 0.00 C ATOM 1338 OG SER A 87 6.569 1.129 -7.196 1.00 0.00 O ATOM 0 H SER A 87 3.881 0.165 -5.545 1.00 0.00 H new ATOM 0 HA SER A 87 4.977 2.663 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.875 -0.037 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.007 1.233 -8.537 1.00 0.00 H new ATOM 0 HG SER A 87 7.083 0.527 -7.774 1.00 0.00 H new ATOM 1344 N LEU A 88 2.398 1.810 -8.058 1.00 0.00 N ATOM 1345 CA LEU A 88 1.335 2.340 -8.895 1.00 0.00 C ATOM 1346 C LEU A 88 0.699 3.546 -8.202 1.00 0.00 C ATOM 1347 O LEU A 88 0.528 4.599 -8.814 1.00 0.00 O ATOM 1348 CB LEU A 88 0.335 1.238 -9.253 1.00 0.00 C ATOM 1349 CG LEU A 88 0.353 0.762 -10.707 1.00 0.00 C ATOM 1350 CD1 LEU A 88 1.533 -0.177 -10.961 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -0.983 0.122 -11.090 1.00 0.00 C ATOM 0 H LEU A 88 2.413 0.793 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 88 1.738 2.694 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.524 0.380 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.668 1.596 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 88 0.490 1.631 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.523 -0.501 -12.002 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.466 0.347 -10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.452 -1.047 -10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.944 -0.208 -12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.174 -0.735 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.784 0.852 -10.971 1.00 0.00 H new ATOM 1363 N MET A 89 0.366 3.352 -6.934 1.00 0.00 N ATOM 1364 CA MET A 89 -0.248 4.412 -6.151 1.00 0.00 C ATOM 1365 C MET A 89 0.568 5.703 -6.242 1.00 0.00 C ATOM 1366 O MET A 89 0.060 6.733 -6.684 1.00 0.00 O ATOM 1367 CB MET A 89 -0.349 3.973 -4.689 1.00 0.00 C ATOM 1368 CG MET A 89 -1.614 3.147 -4.451 1.00 0.00 C ATOM 1369 SD MET A 89 -2.869 4.160 -3.686 1.00 0.00 S ATOM 1370 CE MET A 89 -2.639 3.702 -1.977 1.00 0.00 C ATOM 0 H MET A 89 0.510 2.477 -6.429 1.00 0.00 H new ATOM 0 HA MET A 89 -1.243 4.605 -6.551 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.529 3.386 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 89 -0.356 4.850 -4.042 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.982 2.750 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.386 2.293 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.349 4.247 -1.355 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.804 2.631 -1.862 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.623 3.948 -1.668 1.00 0.00 H new ATOM 1380 N MET A 90 1.819 5.606 -5.817 1.00 0.00 N ATOM 1381 CA MET A 90 2.710 6.754 -5.844 1.00 0.00 C ATOM 1382 C MET A 90 2.635 7.474 -7.192 1.00 0.00 C ATOM 1383 O MET A 90 2.399 8.680 -7.243 1.00 0.00 O ATOM 1384 CB MET A 90 4.146 6.292 -5.591 1.00 0.00 C ATOM 1385 CG MET A 90 4.531 6.476 -4.122 1.00 0.00 C ATOM 1386 SD MET A 90 6.182 5.861 -3.841 1.00 0.00 S ATOM 1387 CE MET A 90 5.862 4.704 -2.519 1.00 0.00 C ATOM 0 H MET A 90 2.237 4.750 -5.452 1.00 0.00 H new ATOM 0 HA MET A 90 2.400 7.449 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.248 5.243 -5.869 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.830 6.857 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.476 7.531 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.824 5.947 -3.483 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.720 4.042 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.693 5.250 -1.591 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.978 4.113 -2.759 1.00 0.00 H new ATOM 1397 N ILE A 91 2.841 6.704 -8.250 1.00 0.00 N ATOM 1398 CA ILE A 91 2.800 7.253 -9.595 1.00 0.00 C ATOM 1399 C ILE A 91 1.531 8.092 -9.760 1.00 0.00 C ATOM 1400 O ILE A 91 1.605 9.288 -10.035 1.00 0.00 O ATOM 1401 CB ILE A 91 2.939 6.138 -10.633 1.00 0.00 C ATOM 1402 CG1 ILE A 91 4.307 5.461 -10.530 1.00 0.00 C ATOM 1403 CG2 ILE A 91 2.666 6.665 -12.044 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.197 3.958 -10.796 1.00 0.00 C ATOM 0 H ILE A 91 3.037 5.704 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 91 3.647 7.919 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 91 2.186 5.379 -10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.994 5.911 -11.246 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.726 5.629 -9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.771 5.852 -12.763 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.653 7.064 -12.094 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.379 7.454 -12.282 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.184 3.501 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.528 3.507 -10.063 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.801 3.794 -11.798 1.00 0.00 H new ATOM 1416 N LEU A 92 0.396 7.430 -9.585 1.00 0.00 N ATOM 1417 CA LEU A 92 -0.888 8.100 -9.711 1.00 0.00 C ATOM 1418 C LEU A 92 -0.901 9.340 -8.815 1.00 0.00 C ATOM 1419 O LEU A 92 -1.573 10.324 -9.121 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.031 7.124 -9.428 1.00 0.00 C ATOM 1421 CG LEU A 92 -2.698 6.498 -10.655 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.613 7.503 -11.355 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -1.653 5.913 -11.608 1.00 0.00 C ATOM 0 H LEU A 92 0.339 6.437 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.040 8.444 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.649 6.321 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.794 7.647 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.325 5.673 -10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.074 7.032 -12.223 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.390 7.830 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.028 8.364 -11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.153 5.474 -12.471 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.981 6.704 -11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.080 5.143 -11.091 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.151 9.252 -7.727 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.069 10.355 -6.784 1.00 0.00 C ATOM 1437 C ARG A 93 0.641 11.549 -7.425 1.00 0.00 C ATOM 1438 O ARG A 93 0.244 12.695 -7.221 1.00 0.00 O ATOM 1439 CB ARG A 93 0.685 9.942 -5.518 1.00 0.00 C ATOM 1440 CG ARG A 93 0.128 10.663 -4.289 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.068 9.908 -3.706 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.881 10.817 -2.867 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.831 10.406 -2.017 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.094 9.099 -1.887 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.518 11.302 -1.295 1.00 0.00 N ATOM 0 H ARG A 93 0.405 8.434 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.087 10.636 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.606 8.864 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.745 10.172 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.908 10.756 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.174 11.674 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.679 9.500 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.720 9.064 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.707 11.819 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.571 8.416 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.818 8.786 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.317 12.297 -1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.241 10.989 -0.648 1.00 0.00 H new ATOM 1459 N LEU A 94 1.680 11.240 -8.188 1.00 0.00 N ATOM 1460 CA LEU A 94 2.448 12.274 -8.860 1.00 0.00 C ATOM 1461 C LEU A 94 1.491 13.291 -9.484 1.00 0.00 C ATOM 1462 O LEU A 94 1.683 14.498 -9.341 1.00 0.00 O ATOM 1463 CB LEU A 94 3.422 11.651 -9.863 1.00 0.00 C ATOM 1464 CG LEU A 94 4.857 12.180 -9.822 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.884 13.703 -9.954 1.00 0.00 C ATOM 1466 CD2 LEU A 94 5.582 11.701 -8.562 1.00 0.00 C ATOM 0 H LEU A 94 2.007 10.289 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 94 3.066 12.815 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.448 10.575 -9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.027 11.806 -10.867 1.00 0.00 H new ATOM 0 HG LEU A 94 5.395 11.773 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.916 14.053 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.432 13.994 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.324 14.149 -9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.600 12.091 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.052 12.059 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.611 10.611 -8.551 1.00 0.00 H new ATOM 1478 N VAL A 95 0.481 12.767 -10.162 1.00 0.00 N ATOM 1479 CA VAL A 95 -0.507 13.615 -10.808 1.00 0.00 C ATOM 1480 C VAL A 95 -1.539 14.067 -9.773 1.00 0.00 C ATOM 1481 O VAL A 95 -1.857 15.252 -9.684 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.133 12.878 -11.994 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -2.323 13.658 -12.557 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -0.092 12.606 -13.081 1.00 0.00 C ATOM 0 H VAL A 95 0.325 11.766 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.036 14.512 -11.211 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.502 11.917 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.750 13.113 -13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.079 13.778 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.989 14.640 -12.893 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.563 12.081 -13.912 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.320 13.551 -13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.710 11.991 -12.671 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.035 13.099 -9.016 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.025 13.383 -7.991 1.00 0.00 C ATOM 1496 C LEU A 96 -2.638 14.669 -7.257 1.00 0.00 C ATOM 1497 O LEU A 96 -3.505 15.442 -6.852 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.201 12.176 -7.067 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.639 11.843 -6.665 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.299 13.029 -5.959 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.450 11.371 -7.873 1.00 0.00 C ATOM 0 H LEU A 96 -1.770 12.117 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.002 13.555 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.770 11.303 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.622 12.350 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.613 11.018 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.320 12.766 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.734 13.278 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.314 13.889 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.468 11.141 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.471 12.158 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.989 10.477 -8.294 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.335 14.857 -7.107 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.823 16.036 -6.428 1.00 0.00 C ATOM 1515 C LEU A 97 -1.597 17.268 -6.901 1.00 0.00 C ATOM 1516 O LEU A 97 -2.091 18.045 -6.086 1.00 0.00 O ATOM 1517 CB LEU A 97 0.691 16.149 -6.621 1.00 0.00 C ATOM 1518 CG LEU A 97 1.477 16.717 -5.437 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.934 15.601 -4.496 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.647 17.577 -5.918 1.00 0.00 C ATOM 0 H LEU A 97 -0.619 14.213 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.979 15.955 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.083 15.158 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.881 16.776 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 97 0.813 17.367 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.490 16.032 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.063 15.068 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.575 14.906 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.189 17.968 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.319 16.970 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.268 18.406 -6.515 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.679 17.407 -8.216 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.384 18.532 -8.807 1.00 0.00 C ATOM 1534 C LEU A 98 -3.781 18.632 -8.191 1.00 0.00 C ATOM 1535 O LEU A 98 -4.220 19.716 -7.811 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.391 18.418 -10.333 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.263 19.431 -11.077 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.423 20.600 -11.597 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -4.058 18.754 -12.195 1.00 0.00 C ATOM 0 H LEU A 98 -1.269 16.759 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.868 19.466 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.366 18.519 -10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.724 17.415 -10.601 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.986 19.842 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.067 21.306 -12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.941 21.103 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.662 20.225 -12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.669 19.497 -12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.369 18.297 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.702 17.985 -11.769 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.442 17.486 -8.113 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.781 17.431 -7.550 1.00 0.00 C ATOM 1553 C LEU A 99 -5.821 18.254 -6.261 1.00 0.00 C ATOM 1554 O LEU A 99 -5.168 17.908 -5.278 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.226 15.979 -7.366 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.724 15.711 -7.524 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.108 15.600 -9.000 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.147 14.476 -6.727 1.00 0.00 C ATOM 0 H LEU A 99 -4.075 16.589 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.501 17.876 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.689 15.361 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.921 15.650 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.268 16.561 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.178 15.409 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.864 16.532 -9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.556 14.780 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.216 14.308 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.597 13.606 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.930 14.633 -5.670 1.00 0.00 H new