USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 MET CE :methyl 163:sc= -0.0331 (180deg=-0.243) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -0.345 X(o=-0.38,f=-0.38) USER MOD Set 2.1: A 7 GLN : amide:sc= -0.251 K(o=-2.4,f=-3.9!) USER MOD Set 2.2: A 14 CYS SG : rot -139:sc= -2.15 USER MOD Set 2.3: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.101 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 2:sc= 0.686 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -140:sc= -0.18 USER MOD Single : A 12 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.059) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -163:sc= 0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.633 -1.212 -1.629 1.00 0.00 N ATOM 2 CA MET A 1 12.656 -1.929 -0.827 1.00 0.00 C ATOM 3 C MET A 1 11.295 -1.967 -1.524 1.00 0.00 C ATOM 4 O MET A 1 11.085 -1.277 -2.520 1.00 0.00 O ATOM 5 CB MET A 1 12.514 -1.245 0.535 1.00 0.00 C ATOM 6 CG MET A 1 13.490 -1.840 1.552 1.00 0.00 C ATOM 7 SD MET A 1 14.254 -0.534 2.501 1.00 0.00 S ATOM 8 CE MET A 1 15.731 -1.373 3.049 1.00 0.00 C ATOM 0 H1 MET A 1 14.238 -0.638 -1.008 1.00 0.00 H new ATOM 0 H2 MET A 1 14.220 -1.893 -2.151 1.00 0.00 H new ATOM 0 H3 MET A 1 13.141 -0.591 -2.303 1.00 0.00 H new ATOM 0 HA MET A 1 13.003 -2.954 -0.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.699 -0.176 0.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.492 -1.357 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.963 -2.524 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.255 -2.422 1.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.329 -0.696 3.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.455 -2.247 3.640 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.312 -1.689 2.183 1.00 0.00 H new ATOM 18 N ALA A 2 10.406 -2.780 -0.972 1.00 0.00 N ATOM 19 CA ALA A 2 9.071 -2.917 -1.529 1.00 0.00 C ATOM 20 C ALA A 2 8.183 -1.792 -0.995 1.00 0.00 C ATOM 21 O ALA A 2 8.632 -0.962 -0.206 1.00 0.00 O ATOM 22 CB ALA A 2 8.519 -4.304 -1.195 1.00 0.00 C ATOM 0 H ALA A 2 10.584 -3.350 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 2 9.097 -2.829 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.517 -4.407 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.170 -5.067 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.475 -4.427 -0.113 1.00 0.00 H new ATOM 28 N LEU A 3 6.937 -1.800 -1.447 1.00 0.00 N ATOM 29 CA LEU A 3 5.981 -0.790 -1.024 1.00 0.00 C ATOM 30 C LEU A 3 5.728 -0.931 0.478 1.00 0.00 C ATOM 31 O LEU A 3 6.334 -1.775 1.137 1.00 0.00 O ATOM 32 CB LEU A 3 4.710 -0.867 -1.872 1.00 0.00 C ATOM 33 CG LEU A 3 4.810 -0.288 -3.285 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.174 -1.230 -4.309 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.206 1.116 -3.345 1.00 0.00 C ATOM 0 H LEU A 3 6.568 -2.490 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 3 6.385 0.209 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.412 -1.912 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.912 -0.346 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 3 5.865 -0.196 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.258 -0.795 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.688 -2.191 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.122 -1.376 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.290 1.505 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.155 1.073 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.742 1.772 -2.660 1.00 0.00 H new ATOM 47 N THR A 4 4.832 -0.091 0.976 1.00 0.00 N ATOM 48 CA THR A 4 4.491 -0.111 2.389 1.00 0.00 C ATOM 49 C THR A 4 3.090 0.463 2.607 1.00 0.00 C ATOM 50 O THR A 4 2.865 1.655 2.404 1.00 0.00 O ATOM 51 CB THR A 4 5.583 0.644 3.149 1.00 0.00 C ATOM 52 OG1 THR A 4 6.683 -0.262 3.168 1.00 0.00 O ATOM 53 CG2 THR A 4 5.238 0.841 4.627 1.00 0.00 C ATOM 0 H THR A 4 4.332 0.608 0.426 1.00 0.00 H new ATOM 0 HA THR A 4 4.453 -1.130 2.773 1.00 0.00 H new ATOM 0 HB THR A 4 5.745 1.615 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.446 -1.075 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.046 1.382 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.314 1.412 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.109 -0.131 5.103 1.00 0.00 H new ATOM 61 N LEU A 5 2.184 -0.412 3.019 1.00 0.00 N ATOM 62 CA LEU A 5 0.811 -0.007 3.268 1.00 0.00 C ATOM 63 C LEU A 5 0.504 -0.150 4.760 1.00 0.00 C ATOM 64 O LEU A 5 0.491 -1.259 5.291 1.00 0.00 O ATOM 65 CB LEU A 5 -0.148 -0.786 2.366 1.00 0.00 C ATOM 66 CG LEU A 5 -1.619 -0.781 2.788 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.357 0.419 2.191 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.296 -2.106 2.432 1.00 0.00 C ATOM 0 H LEU A 5 2.374 -1.400 3.187 1.00 0.00 H new ATOM 0 HA LEU A 5 0.671 1.043 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.079 -0.378 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.192 -1.821 2.316 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.663 -0.678 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.400 0.398 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.891 1.342 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.306 0.373 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.340 -2.076 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.242 -2.264 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.788 -2.923 2.945 1.00 0.00 H new ATOM 80 N TYR A 6 0.266 0.989 5.394 1.00 0.00 N ATOM 81 CA TYR A 6 -0.040 1.005 6.814 1.00 0.00 C ATOM 82 C TYR A 6 -1.447 0.465 7.078 1.00 0.00 C ATOM 83 O TYR A 6 -2.400 0.846 6.399 1.00 0.00 O ATOM 84 CB TYR A 6 0.018 2.473 7.241 1.00 0.00 C ATOM 85 CG TYR A 6 1.432 2.984 7.523 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.082 2.613 8.682 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.059 3.816 6.617 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.413 3.093 8.948 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.390 4.296 6.882 1.00 0.00 C ATOM 90 CZ TYR A 6 4.001 3.912 8.034 1.00 0.00 C ATOM 91 OH TYR A 6 5.259 4.366 8.285 1.00 0.00 O ATOM 0 H TYR A 6 0.279 1.907 4.950 1.00 0.00 H new ATOM 0 HA TYR A 6 0.663 0.381 7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.429 3.086 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.590 2.605 8.136 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.592 1.962 9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.551 4.107 5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.933 2.810 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.892 4.947 6.181 1.00 0.00 H new ATOM 0 HH TYR A 6 5.553 4.940 7.547 1.00 0.00 H new ATOM 101 N GLN A 7 -1.533 -0.414 8.066 1.00 0.00 N ATOM 102 CA GLN A 7 -2.808 -1.011 8.428 1.00 0.00 C ATOM 103 C GLN A 7 -2.887 -1.215 9.942 1.00 0.00 C ATOM 104 O GLN A 7 -1.890 -1.059 10.646 1.00 0.00 O ATOM 105 CB GLN A 7 -3.026 -2.330 7.685 1.00 0.00 C ATOM 106 CG GLN A 7 -2.072 -3.412 8.195 1.00 0.00 C ATOM 107 CD GLN A 7 -2.519 -4.800 7.732 1.00 0.00 C ATOM 108 OE1 GLN A 7 -3.682 -5.048 7.461 1.00 0.00 O ATOM 109 NE2 GLN A 7 -1.532 -5.688 7.655 1.00 0.00 N ATOM 0 H GLN A 7 -0.741 -0.727 8.627 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.604 -0.329 8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.057 -2.659 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.872 -2.179 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.063 -3.212 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.033 -3.383 9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.580 -5.414 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.727 -6.643 7.354 1.00 0.00 H new ATOM 118 N ARG A 8 -4.082 -1.561 10.399 1.00 0.00 N ATOM 119 CA ARG A 8 -4.304 -1.788 11.816 1.00 0.00 C ATOM 120 C ARG A 8 -4.718 -3.240 12.063 1.00 0.00 C ATOM 121 O ARG A 8 -5.533 -3.517 12.941 1.00 0.00 O ATOM 122 CB ARG A 8 -5.389 -0.856 12.360 1.00 0.00 C ATOM 123 CG ARG A 8 -4.975 0.610 12.217 1.00 0.00 C ATOM 124 CD ARG A 8 -5.802 1.505 13.142 1.00 0.00 C ATOM 125 NE ARG A 8 -7.005 1.993 12.430 1.00 0.00 N ATOM 126 CZ ARG A 8 -8.152 1.308 12.337 1.00 0.00 C ATOM 127 NH1 ARG A 8 -8.261 0.101 12.909 1.00 0.00 N ATOM 128 NH2 ARG A 8 -9.192 1.829 11.672 1.00 0.00 N ATOM 0 H ARG A 8 -4.906 -1.689 9.812 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.368 -1.580 12.335 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.323 -1.028 11.825 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.577 -1.084 13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.916 0.717 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.106 0.930 11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.096 0.949 14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.200 2.350 13.478 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.957 2.908 11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.470 -0.297 13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.135 -0.420 12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.110 2.748 11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.065 1.307 11.601 1.00 0.00 H new ATOM 142 N ASP A 9 -4.137 -4.130 11.272 1.00 0.00 N ATOM 143 CA ASP A 9 -4.435 -5.547 11.393 1.00 0.00 C ATOM 144 C ASP A 9 -5.931 -5.771 11.162 1.00 0.00 C ATOM 145 O ASP A 9 -6.729 -5.660 12.091 1.00 0.00 O ATOM 146 CB ASP A 9 -4.090 -6.065 12.791 1.00 0.00 C ATOM 147 CG ASP A 9 -3.164 -7.282 12.819 1.00 0.00 C ATOM 148 OD1 ASP A 9 -3.677 -8.391 12.555 1.00 0.00 O ATOM 149 OD2 ASP A 9 -1.964 -7.077 13.103 1.00 0.00 O ATOM 0 H ASP A 9 -3.461 -3.897 10.544 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.839 -6.081 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.622 -5.258 13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.016 -6.320 13.306 1.00 0.00 H new ATOM 154 N ASP A 10 -6.265 -6.081 9.918 1.00 0.00 N ATOM 155 CA ASP A 10 -7.651 -6.321 9.554 1.00 0.00 C ATOM 156 C ASP A 10 -8.459 -5.038 9.763 1.00 0.00 C ATOM 157 O ASP A 10 -8.668 -4.611 10.898 1.00 0.00 O ATOM 158 CB ASP A 10 -8.268 -7.416 10.426 1.00 0.00 C ATOM 159 CG ASP A 10 -9.444 -8.162 9.791 1.00 0.00 C ATOM 160 OD1 ASP A 10 -10.583 -7.676 9.962 1.00 0.00 O ATOM 161 OD2 ASP A 10 -9.177 -9.201 9.150 1.00 0.00 O ATOM 0 H ASP A 10 -5.600 -6.171 9.150 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.676 -6.635 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.492 -8.139 10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.603 -6.969 11.362 1.00 0.00 H new ATOM 166 N CYS A 11 -8.890 -4.460 8.652 1.00 0.00 N ATOM 167 CA CYS A 11 -9.670 -3.235 8.700 1.00 0.00 C ATOM 168 C CYS A 11 -10.351 -3.046 7.343 1.00 0.00 C ATOM 169 O CYS A 11 -9.836 -3.491 6.318 1.00 0.00 O ATOM 170 CB CYS A 11 -8.807 -2.030 9.078 1.00 0.00 C ATOM 171 SG CYS A 11 -9.850 -0.720 9.816 1.00 0.00 S ATOM 0 H CYS A 11 -8.714 -4.817 7.713 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.429 -3.314 9.478 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.035 -2.333 9.785 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.297 -1.646 8.194 1.00 0.00 H new ATOM 0 HG CYS A 11 -9.455 0.442 9.387 1.00 0.00 H new ATOM 177 N HIS A 12 -11.500 -2.386 7.380 1.00 0.00 N ATOM 178 CA HIS A 12 -12.257 -2.133 6.166 1.00 0.00 C ATOM 179 C HIS A 12 -11.516 -1.109 5.304 1.00 0.00 C ATOM 180 O HIS A 12 -11.263 -1.353 4.125 1.00 0.00 O ATOM 181 CB HIS A 12 -13.688 -1.705 6.498 1.00 0.00 C ATOM 182 CG HIS A 12 -14.718 -2.182 5.502 1.00 0.00 C ATOM 183 ND1 HIS A 12 -16.080 -2.063 5.718 1.00 0.00 N ATOM 184 CD2 HIS A 12 -14.571 -2.777 4.284 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.715 -2.569 4.670 1.00 0.00 C ATOM 186 NE2 HIS A 12 -15.778 -3.012 3.783 1.00 0.00 N ATOM 0 H HIS A 12 -11.925 -2.019 8.232 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.340 -3.052 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.950 -2.084 7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.727 -0.617 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.632 -3.017 3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.786 -2.621 4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.973 -3.451 2.883 1.00 0.00 H new ATOM 194 N LEU A 13 -11.190 0.014 5.925 1.00 0.00 N ATOM 195 CA LEU A 13 -10.483 1.076 5.229 1.00 0.00 C ATOM 196 C LEU A 13 -9.213 0.507 4.594 1.00 0.00 C ATOM 197 O LEU A 13 -8.851 0.879 3.479 1.00 0.00 O ATOM 198 CB LEU A 13 -10.226 2.255 6.170 1.00 0.00 C ATOM 199 CG LEU A 13 -10.128 3.632 5.509 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.518 4.229 5.278 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.230 4.567 6.321 1.00 0.00 C ATOM 0 H LEU A 13 -11.402 0.212 6.903 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.094 1.473 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.026 2.285 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.299 2.067 6.711 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.664 3.509 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.420 5.207 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.094 3.570 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.031 4.336 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.177 5.539 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.643 4.689 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.229 4.141 6.390 1.00 0.00 H new ATOM 213 N CYS A 14 -8.570 -0.386 5.332 1.00 0.00 N ATOM 214 CA CYS A 14 -7.348 -1.010 4.856 1.00 0.00 C ATOM 215 C CYS A 14 -7.722 -2.065 3.813 1.00 0.00 C ATOM 216 O CYS A 14 -7.080 -2.166 2.768 1.00 0.00 O ATOM 217 CB CYS A 14 -6.532 -1.608 6.005 1.00 0.00 C ATOM 218 SG CYS A 14 -5.165 -2.625 5.339 1.00 0.00 S ATOM 0 H CYS A 14 -8.873 -0.692 6.257 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.708 -0.257 4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.131 -0.811 6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.175 -2.219 6.639 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.045 -3.709 6.047 1.00 0.00 H new ATOM 224 N ASP A 15 -8.759 -2.826 4.133 1.00 0.00 N ATOM 225 CA ASP A 15 -9.226 -3.870 3.236 1.00 0.00 C ATOM 226 C ASP A 15 -9.423 -3.283 1.837 1.00 0.00 C ATOM 227 O ASP A 15 -8.890 -3.806 0.860 1.00 0.00 O ATOM 228 CB ASP A 15 -10.567 -4.438 3.704 1.00 0.00 C ATOM 229 CG ASP A 15 -10.472 -5.501 4.800 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.333 -5.747 5.255 1.00 0.00 O ATOM 231 OD2 ASP A 15 -11.539 -6.044 5.159 1.00 0.00 O ATOM 0 H ASP A 15 -9.289 -2.740 5.000 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.481 -4.666 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.185 -3.617 4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.082 -4.868 2.845 1.00 0.00 H new ATOM 236 N GLN A 16 -10.192 -2.205 1.785 1.00 0.00 N ATOM 237 CA GLN A 16 -10.467 -1.542 0.521 1.00 0.00 C ATOM 238 C GLN A 16 -9.159 -1.130 -0.157 1.00 0.00 C ATOM 239 O GLN A 16 -9.072 -1.106 -1.384 1.00 0.00 O ATOM 240 CB GLN A 16 -11.383 -0.334 0.724 1.00 0.00 C ATOM 241 CG GLN A 16 -12.855 -0.737 0.609 1.00 0.00 C ATOM 242 CD GLN A 16 -13.723 0.463 0.225 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.787 0.874 -0.922 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.386 0.999 1.245 1.00 0.00 N ATOM 0 H GLN A 16 -10.633 -1.774 2.597 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.986 -2.245 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.198 0.107 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.152 0.431 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.963 -1.523 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.198 -1.150 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.287 0.605 2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.994 1.804 1.092 1.00 0.00 H new ATOM 253 N ALA A 17 -8.173 -0.817 0.670 1.00 0.00 N ATOM 254 CA ALA A 17 -6.873 -0.407 0.166 1.00 0.00 C ATOM 255 C ALA A 17 -6.161 -1.619 -0.439 1.00 0.00 C ATOM 256 O ALA A 17 -5.578 -1.526 -1.518 1.00 0.00 O ATOM 257 CB ALA A 17 -6.068 0.239 1.294 1.00 0.00 C ATOM 0 H ALA A 17 -8.248 -0.839 1.687 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.984 0.338 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.093 0.546 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.603 1.111 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.933 -0.480 2.102 1.00 0.00 H new ATOM 263 N VAL A 18 -6.231 -2.728 0.283 1.00 0.00 N ATOM 264 CA VAL A 18 -5.600 -3.956 -0.168 1.00 0.00 C ATOM 265 C VAL A 18 -6.231 -4.392 -1.492 1.00 0.00 C ATOM 266 O VAL A 18 -5.540 -4.889 -2.380 1.00 0.00 O ATOM 267 CB VAL A 18 -5.697 -5.026 0.922 1.00 0.00 C ATOM 268 CG1 VAL A 18 -5.236 -6.387 0.397 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.900 -4.618 2.163 1.00 0.00 C ATOM 0 H VAL A 18 -6.715 -2.801 1.178 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.538 -3.794 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.744 -5.116 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.315 -7.129 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.865 -6.685 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.199 -6.318 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.986 -5.395 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.852 -4.486 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.294 -3.681 2.557 1.00 0.00 H new ATOM 279 N GLU A 19 -7.538 -4.191 -1.582 1.00 0.00 N ATOM 280 CA GLU A 19 -8.270 -4.557 -2.782 1.00 0.00 C ATOM 281 C GLU A 19 -7.693 -3.830 -3.999 1.00 0.00 C ATOM 282 O GLU A 19 -7.388 -4.456 -5.013 1.00 0.00 O ATOM 283 CB GLU A 19 -9.763 -4.261 -2.625 1.00 0.00 C ATOM 284 CG GLU A 19 -10.603 -5.503 -2.933 1.00 0.00 C ATOM 285 CD GLU A 19 -11.844 -5.560 -2.040 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.851 -4.929 -2.426 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.757 -6.235 -0.991 1.00 0.00 O ATOM 0 H GLU A 19 -8.108 -3.779 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.159 -5.630 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.966 -3.923 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.049 -3.449 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.904 -5.492 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.001 -6.400 -2.784 1.00 0.00 H new ATOM 294 N ALA A 20 -7.560 -2.520 -3.858 1.00 0.00 N ATOM 295 CA ALA A 20 -7.025 -1.701 -4.932 1.00 0.00 C ATOM 296 C ALA A 20 -5.605 -2.166 -5.263 1.00 0.00 C ATOM 297 O ALA A 20 -5.213 -2.194 -6.428 1.00 0.00 O ATOM 298 CB ALA A 20 -7.076 -0.227 -4.526 1.00 0.00 C ATOM 0 H ALA A 20 -7.814 -2.005 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.627 -1.811 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.674 0.387 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.109 0.061 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.481 -0.077 -3.625 1.00 0.00 H new ATOM 304 N LEU A 21 -4.874 -2.519 -4.216 1.00 0.00 N ATOM 305 CA LEU A 21 -3.506 -2.982 -4.380 1.00 0.00 C ATOM 306 C LEU A 21 -3.507 -4.296 -5.164 1.00 0.00 C ATOM 307 O LEU A 21 -2.851 -4.406 -6.198 1.00 0.00 O ATOM 308 CB LEU A 21 -2.806 -3.075 -3.023 1.00 0.00 C ATOM 309 CG LEU A 21 -1.788 -1.975 -2.716 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.594 -1.813 -1.207 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.465 -2.235 -3.439 1.00 0.00 C ATOM 0 H LEU A 21 -5.203 -2.494 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.928 -2.264 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.567 -3.066 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.299 -4.038 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.181 -1.031 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.866 -1.025 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.545 -1.548 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.233 -2.751 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.241 -1.438 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.055 -3.191 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.637 -2.261 -4.515 1.00 0.00 H new ATOM 323 N ALA A 22 -4.251 -5.259 -4.641 1.00 0.00 N ATOM 324 CA ALA A 22 -4.346 -6.561 -5.279 1.00 0.00 C ATOM 325 C ALA A 22 -4.918 -6.393 -6.688 1.00 0.00 C ATOM 326 O ALA A 22 -4.390 -6.955 -7.647 1.00 0.00 O ATOM 327 CB ALA A 22 -5.195 -7.493 -4.412 1.00 0.00 C ATOM 0 H ALA A 22 -4.794 -5.164 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.359 -7.014 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.267 -8.470 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.730 -7.602 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.194 -7.072 -4.295 1.00 0.00 H new ATOM 333 N GLN A 23 -5.989 -5.618 -6.769 1.00 0.00 N ATOM 334 CA GLN A 23 -6.638 -5.369 -8.045 1.00 0.00 C ATOM 335 C GLN A 23 -5.643 -4.765 -9.038 1.00 0.00 C ATOM 336 O GLN A 23 -5.595 -5.169 -10.199 1.00 0.00 O ATOM 337 CB GLN A 23 -7.858 -4.463 -7.872 1.00 0.00 C ATOM 338 CG GLN A 23 -9.088 -5.272 -7.455 1.00 0.00 C ATOM 339 CD GLN A 23 -10.286 -4.951 -8.350 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.539 -5.602 -9.350 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.007 -3.913 -7.937 1.00 0.00 N ATOM 0 H GLN A 23 -6.424 -5.154 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.987 -6.321 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.647 -3.702 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.062 -3.940 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.863 -6.337 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.337 -5.053 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.740 -3.411 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.827 -3.619 -8.467 1.00 0.00 H new ATOM 350 N ALA A 24 -4.872 -3.806 -8.545 1.00 0.00 N ATOM 351 CA ALA A 24 -3.881 -3.142 -9.374 1.00 0.00 C ATOM 352 C ALA A 24 -2.710 -4.096 -9.625 1.00 0.00 C ATOM 353 O ALA A 24 -1.804 -3.783 -10.395 1.00 0.00 O ATOM 354 CB ALA A 24 -3.439 -1.842 -8.700 1.00 0.00 C ATOM 0 H ALA A 24 -4.914 -3.473 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.306 -2.879 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.695 -1.344 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.301 -1.188 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.005 -2.067 -7.726 1.00 0.00 H new ATOM 360 N ARG A 25 -2.768 -5.240 -8.960 1.00 0.00 N ATOM 361 CA ARG A 25 -1.725 -6.241 -9.101 1.00 0.00 C ATOM 362 C ARG A 25 -0.357 -5.630 -8.790 1.00 0.00 C ATOM 363 O ARG A 25 0.629 -5.933 -9.460 1.00 0.00 O ATOM 364 CB ARG A 25 -1.706 -6.822 -10.516 1.00 0.00 C ATOM 365 CG ARG A 25 -2.468 -8.148 -10.575 1.00 0.00 C ATOM 366 CD ARG A 25 -1.583 -9.265 -11.132 1.00 0.00 C ATOM 367 NE ARG A 25 -2.375 -10.141 -12.023 1.00 0.00 N ATOM 368 CZ ARG A 25 -1.859 -11.151 -12.737 1.00 0.00 C ATOM 369 NH1 ARG A 25 -0.548 -11.418 -12.668 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.654 -11.894 -13.519 1.00 0.00 N ATOM 0 H ARG A 25 -3.521 -5.496 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.938 -7.043 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.152 -6.111 -11.211 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.675 -6.976 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.814 -8.417 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.354 -8.035 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.745 -8.836 -11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.163 -9.849 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.377 -9.965 -12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.057 -10.853 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.155 -12.187 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.652 -11.691 -13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.261 -12.663 -14.062 1.00 0.00 H new ATOM 384 N ALA A 26 -0.342 -4.780 -7.774 1.00 0.00 N ATOM 385 CA ALA A 26 0.889 -4.123 -7.366 1.00 0.00 C ATOM 386 C ALA A 26 1.991 -5.171 -7.202 1.00 0.00 C ATOM 387 O ALA A 26 3.038 -5.082 -7.841 1.00 0.00 O ATOM 388 CB ALA A 26 0.642 -3.329 -6.082 1.00 0.00 C ATOM 0 H ALA A 26 -1.162 -4.531 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 26 1.218 -3.416 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.565 -2.836 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.128 -2.579 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.313 -4.006 -5.293 1.00 0.00 H new ATOM 394 N GLY A 27 1.718 -6.140 -6.341 1.00 0.00 N ATOM 395 CA GLY A 27 2.673 -7.204 -6.084 1.00 0.00 C ATOM 396 C GLY A 27 2.791 -7.486 -4.584 1.00 0.00 C ATOM 397 O GLY A 27 1.787 -7.522 -3.875 1.00 0.00 O ATOM 0 H GLY A 27 0.849 -6.211 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.362 -8.110 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.648 -6.926 -6.483 1.00 0.00 H new ATOM 401 N ALA A 28 4.026 -7.677 -4.146 1.00 0.00 N ATOM 402 CA ALA A 28 4.289 -7.954 -2.744 1.00 0.00 C ATOM 403 C ALA A 28 4.862 -6.700 -2.080 1.00 0.00 C ATOM 404 O ALA A 28 5.457 -5.857 -2.748 1.00 0.00 O ATOM 405 CB ALA A 28 5.227 -9.157 -2.628 1.00 0.00 C ATOM 0 H ALA A 28 4.856 -7.645 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 28 3.366 -8.210 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.424 -9.365 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.760 -10.028 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.166 -8.937 -3.136 1.00 0.00 H new ATOM 411 N PHE A 29 4.662 -6.618 -0.773 1.00 0.00 N ATOM 412 CA PHE A 29 5.152 -5.482 -0.011 1.00 0.00 C ATOM 413 C PHE A 29 5.199 -5.804 1.484 1.00 0.00 C ATOM 414 O PHE A 29 4.879 -6.919 1.894 1.00 0.00 O ATOM 415 CB PHE A 29 4.169 -4.332 -0.242 1.00 0.00 C ATOM 416 CG PHE A 29 2.712 -4.689 0.058 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.243 -4.618 1.333 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.886 -5.077 -0.950 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.890 -4.949 1.611 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.533 -5.408 -0.672 1.00 0.00 C ATOM 421 CZ PHE A 29 0.064 -5.337 0.602 1.00 0.00 C ATOM 0 H PHE A 29 4.167 -7.320 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 29 6.162 -5.226 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.461 -3.487 0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.246 -4.005 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.899 -4.310 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.259 -5.134 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.517 -4.893 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.123 -5.716 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.965 -5.589 0.813 1.00 0.00 H new ATOM 431 N PHE A 30 5.601 -4.807 2.259 1.00 0.00 N ATOM 432 CA PHE A 30 5.695 -4.970 3.700 1.00 0.00 C ATOM 433 C PHE A 30 4.541 -4.258 4.409 1.00 0.00 C ATOM 434 O PHE A 30 4.157 -3.155 4.023 1.00 0.00 O ATOM 435 CB PHE A 30 7.016 -4.335 4.137 1.00 0.00 C ATOM 436 CG PHE A 30 8.257 -5.012 3.551 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.323 -6.369 3.483 1.00 0.00 C ATOM 438 CD2 PHE A 30 9.293 -4.257 3.097 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.474 -6.997 2.939 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.444 -4.886 2.553 1.00 0.00 C ATOM 441 CZ PHE A 30 10.510 -6.242 2.485 1.00 0.00 C ATOM 0 H PHE A 30 5.865 -3.883 1.916 1.00 0.00 H new ATOM 0 HA PHE A 30 5.647 -6.028 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.016 -3.285 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.079 -4.364 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.500 -6.968 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.240 -3.180 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.527 -8.074 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.267 -4.287 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.385 -6.720 2.070 1.00 0.00 H new ATOM 451 N SER A 31 4.020 -4.918 5.433 1.00 0.00 N ATOM 452 CA SER A 31 2.918 -4.361 6.199 1.00 0.00 C ATOM 453 C SER A 31 3.441 -3.748 7.499 1.00 0.00 C ATOM 454 O SER A 31 4.256 -4.355 8.192 1.00 0.00 O ATOM 455 CB SER A 31 1.864 -5.428 6.502 1.00 0.00 C ATOM 456 OG SER A 31 0.894 -5.531 5.464 1.00 0.00 O ATOM 0 H SER A 31 4.340 -5.833 5.750 1.00 0.00 H new ATOM 0 HA SER A 31 2.446 -3.581 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.353 -6.392 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.366 -5.189 7.441 1.00 0.00 H new ATOM 0 HG SER A 31 0.240 -6.224 5.695 1.00 0.00 H new ATOM 462 N VAL A 32 2.952 -2.551 7.790 1.00 0.00 N ATOM 463 CA VAL A 32 3.360 -1.849 8.994 1.00 0.00 C ATOM 464 C VAL A 32 2.119 -1.476 9.808 1.00 0.00 C ATOM 465 O VAL A 32 1.184 -0.874 9.281 1.00 0.00 O ATOM 466 CB VAL A 32 4.219 -0.637 8.628 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.673 0.113 9.882 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.419 -1.054 7.774 1.00 0.00 C ATOM 0 H VAL A 32 2.277 -2.050 7.212 1.00 0.00 H new ATOM 0 HA VAL A 32 3.978 -2.493 9.619 1.00 0.00 H new ATOM 0 HB VAL A 32 3.605 0.042 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.282 0.970 9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.800 0.458 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.261 -0.554 10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.013 -0.174 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.033 -1.762 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.066 -1.523 6.855 1.00 0.00 H new ATOM 478 N PHE A 33 2.149 -1.850 11.079 1.00 0.00 N ATOM 479 CA PHE A 33 1.038 -1.563 11.970 1.00 0.00 C ATOM 480 C PHE A 33 1.236 -0.221 12.678 1.00 0.00 C ATOM 481 O PHE A 33 2.267 0.006 13.309 1.00 0.00 O ATOM 482 CB PHE A 33 1.005 -2.679 13.017 1.00 0.00 C ATOM 483 CG PHE A 33 1.102 -4.088 12.428 1.00 0.00 C ATOM 484 CD1 PHE A 33 -0.023 -4.732 12.018 1.00 0.00 C ATOM 485 CD2 PHE A 33 2.314 -4.696 12.316 1.00 0.00 C ATOM 486 CE1 PHE A 33 0.067 -6.040 11.472 1.00 0.00 C ATOM 487 CE2 PHE A 33 2.404 -6.003 11.769 1.00 0.00 C ATOM 488 CZ PHE A 33 1.279 -6.648 11.359 1.00 0.00 C ATOM 0 H PHE A 33 2.925 -2.349 11.513 1.00 0.00 H new ATOM 0 HA PHE A 33 0.109 -1.510 11.402 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.828 -2.531 13.717 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.081 -2.599 13.590 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.985 -4.249 12.107 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.207 -4.185 12.643 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.826 -6.552 11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.366 -6.485 11.678 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.348 -7.643 10.944 1.00 0.00 H new ATOM 498 N ILE A 34 0.231 0.632 12.550 1.00 0.00 N ATOM 499 CA ILE A 34 0.281 1.946 13.169 1.00 0.00 C ATOM 500 C ILE A 34 -0.147 1.831 14.634 1.00 0.00 C ATOM 501 O ILE A 34 0.090 2.741 15.427 1.00 0.00 O ATOM 502 CB ILE A 34 -0.546 2.950 12.364 1.00 0.00 C ATOM 503 CG1 ILE A 34 -2.043 2.745 12.604 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.190 2.887 10.877 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.747 4.081 12.850 1.00 0.00 C ATOM 0 H ILE A 34 -0.623 0.439 12.027 1.00 0.00 H new ATOM 0 HA ILE A 34 1.301 2.331 13.163 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.298 3.953 12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.488 2.248 11.742 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.191 2.089 13.462 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.792 3.611 10.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.867 3.120 10.746 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.391 1.885 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.810 3.907 13.018 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.316 4.564 13.727 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.618 4.726 11.981 1.00 0.00 H new ATOM 517 N ASP A 35 -0.770 0.705 14.948 1.00 0.00 N ATOM 518 CA ASP A 35 -1.233 0.459 16.303 1.00 0.00 C ATOM 519 C ASP A 35 -0.050 0.562 17.268 1.00 0.00 C ATOM 520 O ASP A 35 1.072 0.196 16.922 1.00 0.00 O ATOM 521 CB ASP A 35 -1.830 -0.943 16.435 1.00 0.00 C ATOM 522 CG ASP A 35 -0.807 -2.070 16.590 1.00 0.00 C ATOM 523 OD1 ASP A 35 0.225 -2.000 15.888 1.00 0.00 O ATOM 524 OD2 ASP A 35 -1.080 -2.976 17.407 1.00 0.00 O ATOM 0 H ASP A 35 -0.965 -0.047 14.287 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.997 1.200 16.538 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.497 -0.958 17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.441 -1.146 15.555 1.00 0.00 H new ATOM 529 N ASP A 36 -0.342 1.062 18.460 1.00 0.00 N ATOM 530 CA ASP A 36 0.683 1.218 19.478 1.00 0.00 C ATOM 531 C ASP A 36 1.452 2.516 19.226 1.00 0.00 C ATOM 532 O ASP A 36 1.588 3.345 20.125 1.00 0.00 O ATOM 533 CB ASP A 36 1.683 0.060 19.434 1.00 0.00 C ATOM 534 CG ASP A 36 2.237 -0.367 20.795 1.00 0.00 C ATOM 535 OD1 ASP A 36 1.469 -1.009 21.544 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.416 -0.043 21.055 1.00 0.00 O ATOM 0 H ASP A 36 -1.274 1.364 18.743 1.00 0.00 H new ATOM 0 HA ASP A 36 0.192 1.235 20.451 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.201 -0.800 18.969 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.517 0.344 18.792 1.00 0.00 H new ATOM 541 N ASP A 37 1.935 2.652 18.000 1.00 0.00 N ATOM 542 CA ASP A 37 2.687 3.836 17.619 1.00 0.00 C ATOM 543 C ASP A 37 1.737 5.032 17.532 1.00 0.00 C ATOM 544 O ASP A 37 1.066 5.224 16.519 1.00 0.00 O ATOM 545 CB ASP A 37 3.344 3.654 16.249 1.00 0.00 C ATOM 546 CG ASP A 37 4.809 3.214 16.288 1.00 0.00 C ATOM 547 OD1 ASP A 37 5.594 3.915 16.962 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.110 2.186 15.643 1.00 0.00 O ATOM 0 H ASP A 37 1.820 1.962 17.257 1.00 0.00 H new ATOM 0 HA ASP A 37 3.459 4.001 18.370 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.774 2.916 15.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.277 4.595 15.703 1.00 0.00 H new ATOM 553 N ALA A 38 1.711 5.805 18.608 1.00 0.00 N ATOM 554 CA ALA A 38 0.854 6.978 18.666 1.00 0.00 C ATOM 555 C ALA A 38 1.304 7.985 17.606 1.00 0.00 C ATOM 556 O ALA A 38 0.480 8.692 17.027 1.00 0.00 O ATOM 557 CB ALA A 38 0.886 7.564 20.079 1.00 0.00 C ATOM 0 H ALA A 38 2.269 5.642 19.446 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.180 6.710 18.448 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.244 8.443 20.123 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.530 6.819 20.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.907 7.848 20.332 1.00 0.00 H new ATOM 563 N ALA A 39 2.609 8.019 17.384 1.00 0.00 N ATOM 564 CA ALA A 39 3.178 8.929 16.404 1.00 0.00 C ATOM 565 C ALA A 39 2.571 8.636 15.030 1.00 0.00 C ATOM 566 O ALA A 39 2.127 9.550 14.336 1.00 0.00 O ATOM 567 CB ALA A 39 4.702 8.796 16.408 1.00 0.00 C ATOM 0 H ALA A 39 3.289 7.431 17.866 1.00 0.00 H new ATOM 0 HA ALA A 39 2.940 9.962 16.656 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.129 9.478 15.673 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.086 9.042 17.398 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.979 7.772 16.156 1.00 0.00 H new ATOM 573 N LEU A 40 2.572 7.359 14.678 1.00 0.00 N ATOM 574 CA LEU A 40 2.027 6.934 13.400 1.00 0.00 C ATOM 575 C LEU A 40 0.509 7.124 13.409 1.00 0.00 C ATOM 576 O LEU A 40 -0.085 7.455 12.384 1.00 0.00 O ATOM 577 CB LEU A 40 2.466 5.504 13.079 1.00 0.00 C ATOM 578 CG LEU A 40 3.975 5.274 12.968 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.302 3.780 12.955 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.552 5.998 11.750 1.00 0.00 C ATOM 0 H LEU A 40 2.942 6.604 15.256 1.00 0.00 H new ATOM 0 HA LEU A 40 2.421 7.552 12.593 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.074 4.843 13.852 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.003 5.205 12.139 1.00 0.00 H new ATOM 0 HG LEU A 40 4.451 5.700 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.381 3.644 12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.946 3.322 13.877 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.813 3.308 12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.626 5.818 11.695 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.074 5.624 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.368 7.068 11.842 1.00 0.00 H new ATOM 592 N GLU A 41 -0.075 6.907 14.578 1.00 0.00 N ATOM 593 CA GLU A 41 -1.513 7.050 14.734 1.00 0.00 C ATOM 594 C GLU A 41 -1.929 8.505 14.507 1.00 0.00 C ATOM 595 O GLU A 41 -2.885 8.774 13.781 1.00 0.00 O ATOM 596 CB GLU A 41 -1.967 6.559 16.110 1.00 0.00 C ATOM 597 CG GLU A 41 -1.902 5.033 16.197 1.00 0.00 C ATOM 598 CD GLU A 41 -3.306 4.426 16.243 1.00 0.00 C ATOM 599 OE1 GLU A 41 -4.212 5.047 15.646 1.00 0.00 O ATOM 600 OE2 GLU A 41 -3.441 3.356 16.874 1.00 0.00 O ATOM 0 H GLU A 41 0.421 6.633 15.426 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.004 6.430 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.336 6.998 16.883 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.986 6.895 16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.360 4.639 15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.346 4.739 17.087 1.00 0.00 H new ATOM 607 N SER A 42 -1.191 9.404 15.140 1.00 0.00 N ATOM 608 CA SER A 42 -1.471 10.824 15.015 1.00 0.00 C ATOM 609 C SER A 42 -1.084 11.314 13.618 1.00 0.00 C ATOM 610 O SER A 42 -1.685 12.252 13.097 1.00 0.00 O ATOM 611 CB SER A 42 -0.728 11.628 16.084 1.00 0.00 C ATOM 612 OG SER A 42 -1.607 12.471 16.825 1.00 0.00 O ATOM 0 H SER A 42 -0.399 9.177 15.741 1.00 0.00 H new ATOM 0 HA SER A 42 -2.540 10.975 15.162 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.221 10.944 16.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.043 12.235 15.610 1.00 0.00 H new ATOM 0 HG SER A 42 -1.095 12.966 17.498 1.00 0.00 H new ATOM 618 N ALA A 43 -0.083 10.656 13.052 1.00 0.00 N ATOM 619 CA ALA A 43 0.392 11.013 11.726 1.00 0.00 C ATOM 620 C ALA A 43 -0.642 10.578 10.685 1.00 0.00 C ATOM 621 O ALA A 43 -0.951 11.328 9.761 1.00 0.00 O ATOM 622 CB ALA A 43 1.763 10.378 11.486 1.00 0.00 C ATOM 0 H ALA A 43 0.412 9.878 13.487 1.00 0.00 H new ATOM 0 HA ALA A 43 0.514 12.093 11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.119 10.646 10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.468 10.741 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.680 9.294 11.562 1.00 0.00 H new ATOM 628 N TYR A 44 -1.148 9.368 10.871 1.00 0.00 N ATOM 629 CA TYR A 44 -2.141 8.824 9.959 1.00 0.00 C ATOM 630 C TYR A 44 -3.523 8.782 10.616 1.00 0.00 C ATOM 631 O TYR A 44 -4.415 9.542 10.243 1.00 0.00 O ATOM 632 CB TYR A 44 -1.692 7.394 9.651 1.00 0.00 C ATOM 633 CG TYR A 44 -0.415 7.310 8.812 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.359 7.924 7.577 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.680 6.621 9.291 1.00 0.00 C ATOM 636 CE1 TYR A 44 0.843 7.845 6.788 1.00 0.00 C ATOM 637 CE2 TYR A 44 1.882 6.543 8.502 1.00 0.00 C ATOM 638 CZ TYR A 44 1.904 7.158 7.289 1.00 0.00 C ATOM 639 OH TYR A 44 3.039 7.084 6.544 1.00 0.00 O ATOM 0 H TYR A 44 -0.889 8.749 11.639 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.218 9.440 9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.533 6.864 10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.495 6.877 9.125 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.216 8.463 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.636 6.140 10.257 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.900 8.321 5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.747 6.008 8.865 1.00 0.00 H new ATOM 0 HH TYR A 44 3.604 6.357 6.880 1.00 0.00 H new ATOM 649 N GLY A 45 -3.657 7.885 11.581 1.00 0.00 N ATOM 650 CA GLY A 45 -4.914 7.733 12.293 1.00 0.00 C ATOM 651 C GLY A 45 -6.034 7.304 11.342 1.00 0.00 C ATOM 652 O GLY A 45 -6.413 6.134 11.312 1.00 0.00 O ATOM 0 H GLY A 45 -2.915 7.255 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.801 6.992 13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.180 8.675 12.773 1.00 0.00 H new ATOM 656 N LEU A 46 -6.531 8.273 10.589 1.00 0.00 N ATOM 657 CA LEU A 46 -7.599 8.010 9.640 1.00 0.00 C ATOM 658 C LEU A 46 -6.992 7.622 8.290 1.00 0.00 C ATOM 659 O LEU A 46 -7.616 6.907 7.507 1.00 0.00 O ATOM 660 CB LEU A 46 -8.555 9.203 9.564 1.00 0.00 C ATOM 661 CG LEU A 46 -9.915 9.017 10.240 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.730 7.927 9.541 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.750 8.739 11.736 1.00 0.00 C ATOM 0 H LEU A 46 -6.214 9.242 10.617 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.204 7.167 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.063 10.066 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.723 9.442 8.514 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.474 9.948 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.692 7.815 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.893 8.206 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.187 6.983 9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.731 8.611 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.164 7.831 11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.237 9.577 12.207 1.00 0.00 H new ATOM 675 N ARG A 47 -5.783 8.111 8.058 1.00 0.00 N ATOM 676 CA ARG A 47 -5.085 7.824 6.817 1.00 0.00 C ATOM 677 C ARG A 47 -4.236 6.560 6.965 1.00 0.00 C ATOM 678 O ARG A 47 -3.132 6.483 6.428 1.00 0.00 O ATOM 679 CB ARG A 47 -4.183 8.991 6.410 1.00 0.00 C ATOM 680 CG ARG A 47 -4.937 10.321 6.491 1.00 0.00 C ATOM 681 CD ARG A 47 -4.135 11.358 7.280 1.00 0.00 C ATOM 682 NE ARG A 47 -4.080 12.633 6.530 1.00 0.00 N ATOM 683 CZ ARG A 47 -5.148 13.402 6.277 1.00 0.00 C ATOM 684 NH1 ARG A 47 -6.360 13.031 6.712 1.00 0.00 N ATOM 685 NH2 ARG A 47 -5.004 14.543 5.589 1.00 0.00 N ATOM 0 H ARG A 47 -5.269 8.704 8.709 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.836 7.672 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.309 9.024 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.819 8.837 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.132 10.695 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.905 10.166 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.594 11.520 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.125 10.989 7.460 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.173 12.946 6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.470 12.163 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.172 13.617 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.082 14.826 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.817 15.128 5.396 1.00 0.00 H new ATOM 699 N VAL A 48 -4.783 5.600 7.696 1.00 0.00 N ATOM 700 CA VAL A 48 -4.090 4.344 7.922 1.00 0.00 C ATOM 701 C VAL A 48 -3.738 3.711 6.574 1.00 0.00 C ATOM 702 O VAL A 48 -2.603 3.290 6.359 1.00 0.00 O ATOM 703 CB VAL A 48 -4.938 3.430 8.808 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.794 1.967 8.383 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.580 3.610 10.284 1.00 0.00 C ATOM 0 H VAL A 48 -5.699 5.667 8.140 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.155 4.515 8.455 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.982 3.715 8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.407 1.338 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.122 1.854 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.750 1.665 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.198 2.949 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.529 3.366 10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.758 4.644 10.578 1.00 0.00 H new ATOM 715 N PRO A 49 -4.760 3.663 5.677 1.00 0.00 N ATOM 716 CA PRO A 49 -4.570 3.089 4.356 1.00 0.00 C ATOM 717 C PRO A 49 -3.778 4.038 3.454 1.00 0.00 C ATOM 718 O PRO A 49 -4.324 4.599 2.506 1.00 0.00 O ATOM 719 CB PRO A 49 -5.973 2.814 3.841 1.00 0.00 C ATOM 720 CG PRO A 49 -6.903 3.666 4.690 1.00 0.00 C ATOM 721 CD PRO A 49 -6.118 4.152 5.897 1.00 0.00 C ATOM 0 HA PRO A 49 -3.981 2.172 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.060 3.074 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.222 1.757 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.279 4.511 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.770 3.086 5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.140 5.239 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.535 3.760 6.825 1.00 0.00 H new ATOM 729 N VAL A 50 -2.503 4.189 3.783 1.00 0.00 N ATOM 730 CA VAL A 50 -1.631 5.060 3.014 1.00 0.00 C ATOM 731 C VAL A 50 -0.528 4.224 2.361 1.00 0.00 C ATOM 732 O VAL A 50 0.172 3.474 3.040 1.00 0.00 O ATOM 733 CB VAL A 50 -1.085 6.175 3.909 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.181 6.790 3.308 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.148 7.245 4.162 1.00 0.00 C ATOM 0 H VAL A 50 -2.054 3.723 4.571 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.187 5.546 2.213 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.819 5.734 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.548 7.580 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.945 6.020 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.048 7.209 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.734 8.025 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.459 7.680 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.009 6.793 4.654 1.00 0.00 H new ATOM 745 N LEU A 51 -0.408 4.380 1.051 1.00 0.00 N ATOM 746 CA LEU A 51 0.597 3.649 0.299 1.00 0.00 C ATOM 747 C LEU A 51 1.815 4.548 0.076 1.00 0.00 C ATOM 748 O LEU A 51 1.702 5.613 -0.530 1.00 0.00 O ATOM 749 CB LEU A 51 -0.002 3.092 -0.994 1.00 0.00 C ATOM 750 CG LEU A 51 -0.035 1.567 -1.115 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.873 1.131 -2.319 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.381 0.990 -1.163 1.00 0.00 C ATOM 0 H LEU A 51 -0.991 5.002 0.491 1.00 0.00 H new ATOM 0 HA LEU A 51 0.940 2.782 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.021 3.466 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.565 3.491 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.517 1.164 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.880 0.043 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.894 1.495 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.442 1.545 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.329 -0.095 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.911 1.397 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.914 1.256 -0.250 1.00 0.00 H new ATOM 764 N ARG A 52 2.951 4.086 0.576 1.00 0.00 N ATOM 765 CA ARG A 52 4.189 4.835 0.439 1.00 0.00 C ATOM 766 C ARG A 52 5.218 4.020 -0.346 1.00 0.00 C ATOM 767 O ARG A 52 5.277 2.798 -0.217 1.00 0.00 O ATOM 768 CB ARG A 52 4.770 5.195 1.808 1.00 0.00 C ATOM 769 CG ARG A 52 5.213 3.940 2.562 1.00 0.00 C ATOM 770 CD ARG A 52 5.424 4.239 4.048 1.00 0.00 C ATOM 771 NE ARG A 52 6.741 3.725 4.486 1.00 0.00 N ATOM 772 CZ ARG A 52 7.911 4.304 4.182 1.00 0.00 C ATOM 773 NH1 ARG A 52 7.935 5.418 3.438 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.057 3.768 4.623 1.00 0.00 N ATOM 0 H ARG A 52 3.041 3.202 1.077 1.00 0.00 H new ATOM 0 HA ARG A 52 3.962 5.755 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.619 5.867 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.024 5.732 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.462 3.159 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.138 3.559 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.367 5.313 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.631 3.778 4.636 1.00 0.00 H new ATOM 0 HE ARG A 52 6.759 2.878 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.062 5.826 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.826 5.858 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.039 2.920 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.948 4.208 4.392 1.00 0.00 H new ATOM 788 N ASP A 53 6.004 4.729 -1.143 1.00 0.00 N ATOM 789 CA ASP A 53 7.028 4.086 -1.949 1.00 0.00 C ATOM 790 C ASP A 53 8.355 4.824 -1.763 1.00 0.00 C ATOM 791 O ASP A 53 8.396 5.890 -1.150 1.00 0.00 O ATOM 792 CB ASP A 53 6.667 4.130 -3.436 1.00 0.00 C ATOM 793 CG ASP A 53 6.523 2.763 -4.107 1.00 0.00 C ATOM 794 OD1 ASP A 53 6.878 1.765 -3.443 1.00 0.00 O ATOM 795 OD2 ASP A 53 6.061 2.747 -5.268 1.00 0.00 O ATOM 0 H ASP A 53 5.952 5.742 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 53 7.108 3.047 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.730 4.675 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.433 4.698 -3.964 1.00 0.00 H new ATOM 800 N PRO A 54 9.436 4.213 -2.318 1.00 0.00 N ATOM 801 CA PRO A 54 10.761 4.800 -2.219 1.00 0.00 C ATOM 802 C PRO A 54 10.905 5.991 -3.168 1.00 0.00 C ATOM 803 O PRO A 54 11.215 7.100 -2.735 1.00 0.00 O ATOM 804 CB PRO A 54 11.719 3.665 -2.541 1.00 0.00 C ATOM 805 CG PRO A 54 10.892 2.612 -3.259 1.00 0.00 C ATOM 806 CD PRO A 54 9.424 2.950 -3.051 1.00 0.00 C ATOM 0 HA PRO A 54 10.967 5.209 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.539 4.013 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.164 3.260 -1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.133 2.597 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.114 1.619 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.902 3.049 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.914 2.169 -2.487 1.00 0.00 H new ATOM 814 N MET A 55 10.673 5.722 -4.444 1.00 0.00 N ATOM 815 CA MET A 55 10.773 6.758 -5.458 1.00 0.00 C ATOM 816 C MET A 55 9.411 7.030 -6.100 1.00 0.00 C ATOM 817 O MET A 55 9.222 8.056 -6.751 1.00 0.00 O ATOM 818 CB MET A 55 11.768 6.323 -6.536 1.00 0.00 C ATOM 819 CG MET A 55 11.257 5.093 -7.289 1.00 0.00 C ATOM 820 SD MET A 55 11.060 5.476 -9.021 1.00 0.00 S ATOM 821 CE MET A 55 12.769 5.690 -9.488 1.00 0.00 C ATOM 0 H MET A 55 10.416 4.801 -4.799 1.00 0.00 H new ATOM 0 HA MET A 55 11.118 7.675 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 55 11.931 7.141 -7.237 1.00 0.00 H new ATOM 0 HB3 MET A 55 12.731 6.099 -6.078 1.00 0.00 H new ATOM 0 HG2 MET A 55 11.957 4.266 -7.168 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.305 4.769 -6.869 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.859 5.635 -10.573 1.00 0.00 H new ATOM 0 HE2 MET A 55 13.121 6.662 -9.144 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.372 4.904 -9.033 1.00 0.00 H new ATOM 831 N GLY A 56 8.497 6.093 -5.894 1.00 0.00 N ATOM 832 CA GLY A 56 7.159 6.219 -6.444 1.00 0.00 C ATOM 833 C GLY A 56 6.331 7.230 -5.648 1.00 0.00 C ATOM 834 O GLY A 56 5.305 7.711 -6.125 1.00 0.00 O ATOM 0 H GLY A 56 8.657 5.243 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.219 6.533 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.664 5.248 -6.431 1.00 0.00 H new ATOM 838 N ARG A 57 6.809 7.523 -4.447 1.00 0.00 N ATOM 839 CA ARG A 57 6.127 8.468 -3.580 1.00 0.00 C ATOM 840 C ARG A 57 4.957 7.786 -2.868 1.00 0.00 C ATOM 841 O ARG A 57 4.794 6.570 -2.959 1.00 0.00 O ATOM 842 CB ARG A 57 5.603 9.666 -4.375 1.00 0.00 C ATOM 843 CG ARG A 57 6.626 10.123 -5.417 1.00 0.00 C ATOM 844 CD ARG A 57 6.487 11.619 -5.702 1.00 0.00 C ATOM 845 NE ARG A 57 7.027 12.403 -4.569 1.00 0.00 N ATOM 846 CZ ARG A 57 6.819 13.716 -4.397 1.00 0.00 C ATOM 847 NH1 ARG A 57 6.082 14.399 -5.283 1.00 0.00 N ATOM 848 NH2 ARG A 57 7.349 14.345 -3.339 1.00 0.00 N ATOM 0 H ARG A 57 7.661 7.122 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 57 6.848 8.823 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.669 9.398 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.379 10.488 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.634 9.909 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.488 9.559 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.020 11.874 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.439 11.871 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 57 7.593 11.914 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.679 13.920 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.924 15.398 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.910 13.825 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.191 15.344 -3.208 1.00 0.00 H new ATOM 862 N GLU A 58 4.172 8.599 -2.175 1.00 0.00 N ATOM 863 CA GLU A 58 3.022 8.089 -1.448 1.00 0.00 C ATOM 864 C GLU A 58 1.728 8.458 -2.176 1.00 0.00 C ATOM 865 O GLU A 58 1.552 9.601 -2.595 1.00 0.00 O ATOM 866 CB GLU A 58 3.010 8.608 -0.009 1.00 0.00 C ATOM 867 CG GLU A 58 4.430 8.704 0.552 1.00 0.00 C ATOM 868 CD GLU A 58 5.091 10.024 0.149 1.00 0.00 C ATOM 869 OE1 GLU A 58 4.405 11.062 0.270 1.00 0.00 O ATOM 870 OE2 GLU A 58 6.267 9.964 -0.270 1.00 0.00 O ATOM 0 H GLU A 58 4.310 9.607 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 58 3.095 7.002 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.535 9.589 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.413 7.944 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.402 8.624 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.026 7.868 0.187 1.00 0.00 H new ATOM 877 N LEU A 59 0.856 7.469 -2.303 1.00 0.00 N ATOM 878 CA LEU A 59 -0.417 7.675 -2.972 1.00 0.00 C ATOM 879 C LEU A 59 -1.513 7.881 -1.924 1.00 0.00 C ATOM 880 O LEU A 59 -1.455 7.304 -0.839 1.00 0.00 O ATOM 881 CB LEU A 59 -0.704 6.528 -3.944 1.00 0.00 C ATOM 882 CG LEU A 59 -1.944 6.690 -4.825 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.752 7.816 -5.842 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.315 5.366 -5.497 1.00 0.00 C ATOM 0 H LEU A 59 1.006 6.522 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.384 8.578 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.163 6.401 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.809 5.608 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.781 6.973 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.648 7.909 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.572 8.754 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.898 7.588 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.200 5.508 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.486 5.029 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.524 4.617 -4.734 1.00 0.00 H new ATOM 896 N ASP A 60 -2.485 8.705 -2.285 1.00 0.00 N ATOM 897 CA ASP A 60 -3.592 8.994 -1.389 1.00 0.00 C ATOM 898 C ASP A 60 -4.279 7.685 -0.995 1.00 0.00 C ATOM 899 O ASP A 60 -4.098 6.662 -1.654 1.00 0.00 O ATOM 900 CB ASP A 60 -4.632 9.887 -2.068 1.00 0.00 C ATOM 901 CG ASP A 60 -5.213 10.992 -1.183 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.895 10.976 0.026 1.00 0.00 O ATOM 903 OD2 ASP A 60 -5.962 11.826 -1.735 1.00 0.00 O ATOM 0 H ASP A 60 -2.529 9.182 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.192 9.507 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.177 10.347 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.450 9.260 -2.425 1.00 0.00 H new ATOM 908 N TRP A 61 -5.052 7.759 0.078 1.00 0.00 N ATOM 909 CA TRP A 61 -5.767 6.593 0.568 1.00 0.00 C ATOM 910 C TRP A 61 -6.860 6.248 -0.446 1.00 0.00 C ATOM 911 O TRP A 61 -6.952 5.109 -0.901 1.00 0.00 O ATOM 912 CB TRP A 61 -6.314 6.836 1.976 1.00 0.00 C ATOM 913 CG TRP A 61 -7.748 6.345 2.180 1.00 0.00 C ATOM 914 CD1 TRP A 61 -8.782 7.014 2.709 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.269 5.044 1.835 1.00 0.00 C ATOM 916 NE1 TRP A 61 -9.926 6.243 2.730 1.00 0.00 N ATOM 917 CE2 TRP A 61 -9.604 5.007 2.182 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.633 3.935 1.249 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.417 3.884 1.982 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.459 2.822 1.056 1.00 0.00 C ATOM 921 CH2 TRP A 61 -9.805 2.768 1.400 1.00 0.00 C ATOM 0 H TRP A 61 -5.199 8.609 0.622 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.095 5.740 0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.665 6.340 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.272 7.904 2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.727 8.029 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.840 6.528 3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.590 3.942 0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.460 3.880 2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.020 1.943 0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.376 1.869 1.219 1.00 0.00 H new ATOM 932 N PRO A 62 -7.682 7.279 -0.779 1.00 0.00 N ATOM 933 CA PRO A 62 -8.764 7.096 -1.730 1.00 0.00 C ATOM 934 C PRO A 62 -8.229 7.016 -3.161 1.00 0.00 C ATOM 935 O PRO A 62 -7.734 8.005 -3.699 1.00 0.00 O ATOM 936 CB PRO A 62 -9.689 8.282 -1.507 1.00 0.00 C ATOM 937 CG PRO A 62 -8.861 9.323 -0.772 1.00 0.00 C ATOM 938 CD PRO A 62 -7.603 8.641 -0.259 1.00 0.00 C ATOM 0 HA PRO A 62 -9.299 6.158 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.057 8.674 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.562 7.992 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.604 10.146 -1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.429 9.748 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.705 9.148 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.565 8.648 0.830 1.00 0.00 H new ATOM 946 N PHE A 63 -8.346 5.829 -3.737 1.00 0.00 N ATOM 947 CA PHE A 63 -7.880 5.606 -5.096 1.00 0.00 C ATOM 948 C PHE A 63 -8.642 4.455 -5.755 1.00 0.00 C ATOM 949 O PHE A 63 -9.479 3.815 -5.120 1.00 0.00 O ATOM 950 CB PHE A 63 -6.398 5.236 -5.005 1.00 0.00 C ATOM 951 CG PHE A 63 -6.029 4.451 -3.745 1.00 0.00 C ATOM 952 CD1 PHE A 63 -6.878 3.505 -3.260 1.00 0.00 C ATOM 953 CD2 PHE A 63 -4.853 4.699 -3.109 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.535 2.777 -2.090 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.510 3.971 -1.939 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.359 3.025 -1.454 1.00 0.00 C ATOM 0 H PHE A 63 -8.757 5.011 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.040 6.502 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.127 4.646 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.803 6.149 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.812 3.308 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.179 5.450 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.209 2.026 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.576 4.168 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.099 2.471 -0.564 1.00 0.00 H new ATOM 966 N ASP A 64 -8.325 4.227 -7.021 1.00 0.00 N ATOM 967 CA ASP A 64 -8.969 3.164 -7.774 1.00 0.00 C ATOM 968 C ASP A 64 -7.930 2.103 -8.141 1.00 0.00 C ATOM 969 O ASP A 64 -6.784 2.172 -7.699 1.00 0.00 O ATOM 970 CB ASP A 64 -9.577 3.699 -9.072 1.00 0.00 C ATOM 971 CG ASP A 64 -10.332 5.023 -8.936 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.690 5.356 -7.785 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.533 5.672 -9.985 1.00 0.00 O ATOM 0 H ASP A 64 -7.631 4.760 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.759 2.742 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.779 3.827 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.259 2.949 -9.472 1.00 0.00 H new ATOM 978 N ALA A 65 -8.368 1.145 -8.945 1.00 0.00 N ATOM 979 CA ALA A 65 -7.490 0.071 -9.376 1.00 0.00 C ATOM 980 C ALA A 65 -6.571 0.583 -10.487 1.00 0.00 C ATOM 981 O ALA A 65 -5.357 0.396 -10.429 1.00 0.00 O ATOM 982 CB ALA A 65 -8.330 -1.128 -9.822 1.00 0.00 C ATOM 0 H ALA A 65 -9.319 1.090 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.858 -0.261 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.671 -1.934 -10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.943 -1.473 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.975 -0.833 -10.650 1.00 0.00 H new ATOM 988 N PRO A 66 -7.202 1.237 -11.499 1.00 0.00 N ATOM 989 CA PRO A 66 -6.454 1.777 -12.621 1.00 0.00 C ATOM 990 C PRO A 66 -5.706 3.050 -12.220 1.00 0.00 C ATOM 991 O PRO A 66 -4.755 3.452 -12.887 1.00 0.00 O ATOM 992 CB PRO A 66 -7.491 2.016 -13.707 1.00 0.00 C ATOM 993 CG PRO A 66 -8.837 2.039 -13.000 1.00 0.00 C ATOM 994 CD PRO A 66 -8.638 1.477 -11.602 1.00 0.00 C ATOM 0 HA PRO A 66 -5.676 1.099 -12.973 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.305 2.957 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.458 1.227 -14.459 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.225 3.056 -12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.567 1.445 -13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.977 2.180 -10.841 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.204 0.556 -11.461 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.165 3.649 -11.130 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.551 4.868 -10.631 1.00 0.00 C ATOM 1004 C ARG A 67 -4.326 4.534 -9.778 1.00 0.00 C ATOM 1005 O ARG A 67 -3.368 5.305 -9.733 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.541 5.681 -9.795 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.431 7.173 -10.111 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.779 7.874 -9.928 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.300 8.319 -11.239 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.193 9.306 -11.396 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.669 9.956 -10.326 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.610 9.642 -12.625 1.00 0.00 N ATOM 0 H ARG A 67 -6.955 3.313 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.247 5.463 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.557 5.338 -9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.349 5.515 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.687 7.632 -9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.084 7.307 -11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.490 7.196 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.666 8.730 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.958 7.845 -12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.352 9.700 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.349 10.707 -10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.248 9.147 -13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.290 10.393 -12.745 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.397 3.385 -9.122 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.305 2.941 -8.272 1.00 0.00 C ATOM 1028 C LEU A 68 -2.198 2.344 -9.143 1.00 0.00 C ATOM 1029 O LEU A 68 -1.015 2.485 -8.833 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.821 1.986 -7.193 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.826 1.622 -6.088 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.245 2.234 -4.750 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.643 0.107 -5.994 1.00 0.00 C ATOM 0 H LEU A 68 -5.193 2.748 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.870 3.785 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.700 2.434 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.149 1.066 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.856 2.048 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.521 1.960 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.283 3.319 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.230 1.859 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.931 -0.125 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.601 -0.362 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.266 -0.274 -6.943 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.619 1.689 -10.215 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.678 1.070 -11.132 1.00 0.00 C ATOM 1047 C ARG A 69 -0.952 2.140 -11.950 1.00 0.00 C ATOM 1048 O ARG A 69 0.277 2.154 -12.009 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.389 0.106 -12.084 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.429 -0.416 -13.154 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.292 -1.223 -12.525 1.00 0.00 C ATOM 1052 NE ARG A 69 0.125 -2.308 -13.440 1.00 0.00 N ATOM 1053 CZ ARG A 69 1.125 -3.163 -13.185 1.00 0.00 C ATOM 1054 NH1 ARG A 69 1.816 -3.064 -12.041 1.00 0.00 N ATOM 1055 NH2 ARG A 69 1.434 -4.117 -14.074 1.00 0.00 N ATOM 0 H ARG A 69 -3.600 1.574 -10.469 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.956 0.510 -10.538 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.800 -0.731 -11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.229 0.612 -12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.974 -1.040 -13.863 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.017 0.421 -13.717 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.554 -0.570 -12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.617 -1.643 -11.573 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.380 -2.412 -14.320 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.581 -2.338 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.577 -3.715 -11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.908 -4.192 -14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.195 -4.768 -13.880 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.743 3.011 -12.560 1.00 0.00 N ATOM 1070 CA ALA A 70 -1.190 4.083 -13.371 1.00 0.00 C ATOM 1071 C ALA A 70 -0.191 4.886 -12.537 1.00 0.00 C ATOM 1072 O ALA A 70 0.826 5.346 -13.053 1.00 0.00 O ATOM 1073 CB ALA A 70 -2.328 4.951 -13.913 1.00 0.00 C ATOM 0 H ALA A 70 -2.762 2.996 -12.509 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.652 3.677 -14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.914 5.755 -14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.993 4.340 -14.523 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.889 5.377 -13.081 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.515 5.029 -11.260 1.00 0.00 N ATOM 1080 CA TRP A 71 0.342 5.768 -10.349 1.00 0.00 C ATOM 1081 C TRP A 71 1.665 5.010 -10.224 1.00 0.00 C ATOM 1082 O TRP A 71 2.732 5.620 -10.177 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.350 5.989 -9.002 1.00 0.00 C ATOM 1084 CG TRP A 71 0.535 6.658 -7.949 1.00 0.00 C ATOM 1085 CD1 TRP A 71 0.849 7.956 -7.839 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.213 6.004 -6.855 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.676 8.186 -6.759 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.904 6.962 -6.141 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.240 4.650 -6.481 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.673 6.667 -5.009 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 2.013 4.371 -5.347 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.715 5.324 -4.617 1.00 0.00 C ATOM 0 H TRP A 71 -1.359 4.646 -10.835 1.00 0.00 H new ATOM 0 HA TRP A 71 0.548 6.765 -10.737 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.238 6.602 -9.158 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.690 5.027 -8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.499 8.725 -8.511 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.051 9.089 -6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.707 3.885 -7.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.205 7.435 -4.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.068 3.344 -5.016 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.290 5.029 -3.752 1.00 0.00 H new ATOM 1103 N LEU A 72 1.552 3.691 -10.172 1.00 0.00 N ATOM 1104 CA LEU A 72 2.725 2.843 -10.053 1.00 0.00 C ATOM 1105 C LEU A 72 3.620 3.043 -11.279 1.00 0.00 C ATOM 1106 O LEU A 72 4.823 3.259 -11.144 1.00 0.00 O ATOM 1107 CB LEU A 72 2.314 1.387 -9.823 1.00 0.00 C ATOM 1108 CG LEU A 72 1.650 1.083 -8.479 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.741 -0.144 -8.582 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.696 0.930 -7.373 1.00 0.00 C ATOM 0 H LEU A 72 0.665 3.189 -10.210 1.00 0.00 H new ATOM 0 HA LEU A 72 3.312 3.126 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.630 1.093 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.201 0.760 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 72 1.019 1.930 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.281 -0.339 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.037 0.041 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.331 -1.009 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.197 0.714 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.372 0.112 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.265 1.855 -7.280 1.00 0.00 H new ATOM 1122 N ASP A 73 2.997 2.962 -12.445 1.00 0.00 N ATOM 1123 CA ASP A 73 3.722 3.132 -13.693 1.00 0.00 C ATOM 1124 C ASP A 73 4.187 4.584 -13.815 1.00 0.00 C ATOM 1125 O ASP A 73 5.276 4.850 -14.323 1.00 0.00 O ATOM 1126 CB ASP A 73 2.828 2.820 -14.896 1.00 0.00 C ATOM 1127 CG ASP A 73 3.102 1.475 -15.573 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.108 1.406 -16.311 1.00 0.00 O ATOM 1129 OD2 ASP A 73 2.298 0.547 -15.338 1.00 0.00 O ATOM 0 H ASP A 73 1.999 2.781 -12.552 1.00 0.00 H new ATOM 0 HA ASP A 73 4.570 2.447 -13.686 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.788 2.841 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.948 3.613 -15.634 1.00 0.00 H new ATOM 1134 N ALA A 74 3.340 5.485 -13.340 1.00 0.00 N ATOM 1135 CA ALA A 74 3.652 6.904 -13.389 1.00 0.00 C ATOM 1136 C ALA A 74 5.128 7.110 -13.045 1.00 0.00 C ATOM 1137 O ALA A 74 5.775 8.008 -13.581 1.00 0.00 O ATOM 1138 CB ALA A 74 2.720 7.664 -12.442 1.00 0.00 C ATOM 0 H ALA A 74 2.438 5.261 -12.919 1.00 0.00 H new ATOM 0 HA ALA A 74 3.490 7.298 -14.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.953 8.728 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.685 7.509 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.857 7.297 -11.425 1.00 0.00 H new ATOM 1144 N ALA A 75 5.618 6.263 -12.151 1.00 0.00 N ATOM 1145 CA ALA A 75 7.006 6.340 -11.729 1.00 0.00 C ATOM 1146 C ALA A 75 7.407 7.809 -11.578 1.00 0.00 C ATOM 1147 O ALA A 75 8.269 8.299 -12.306 1.00 0.00 O ATOM 1148 CB ALA A 75 7.888 5.596 -12.733 1.00 0.00 C ATOM 0 H ALA A 75 5.078 5.520 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 75 7.139 5.859 -10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.929 5.654 -12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.582 4.551 -12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.783 6.052 -13.718 1.00 0.00 H new ATOM 1154 N PRO A 76 6.746 8.488 -10.603 1.00 0.00 N ATOM 1155 CA PRO A 76 7.024 9.891 -10.347 1.00 0.00 C ATOM 1156 C PRO A 76 8.355 10.060 -9.610 1.00 0.00 C ATOM 1157 O PRO A 76 8.948 9.081 -9.161 1.00 0.00 O ATOM 1158 CB PRO A 76 5.833 10.388 -9.544 1.00 0.00 C ATOM 1159 CG PRO A 76 5.160 9.146 -8.983 1.00 0.00 C ATOM 1160 CD PRO A 76 5.719 7.940 -9.721 1.00 0.00 C ATOM 0 HA PRO A 76 7.140 10.471 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.153 11.054 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.146 10.954 -10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.349 9.060 -7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.079 9.206 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.140 7.212 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.942 7.428 -10.288 1.00 0.00 H new ATOM 1168 N HIS A 77 8.784 11.310 -9.510 1.00 0.00 N ATOM 1169 CA HIS A 77 10.033 11.620 -8.836 1.00 0.00 C ATOM 1170 C HIS A 77 9.792 12.700 -7.780 1.00 0.00 C ATOM 1171 O HIS A 77 9.910 12.441 -6.583 1.00 0.00 O ATOM 1172 CB HIS A 77 11.114 12.010 -9.847 1.00 0.00 C ATOM 1173 CG HIS A 77 11.979 10.856 -10.296 1.00 0.00 C ATOM 1174 ND1 HIS A 77 12.468 10.744 -11.586 1.00 0.00 N ATOM 1175 CD2 HIS A 77 12.438 9.768 -9.614 1.00 0.00 C ATOM 1176 CE1 HIS A 77 13.186 9.634 -11.665 1.00 0.00 C ATOM 1177 NE2 HIS A 77 13.166 9.030 -10.443 1.00 0.00 N ATOM 0 H HIS A 77 8.289 12.119 -9.884 1.00 0.00 H new ATOM 0 HA HIS A 77 10.402 10.733 -8.321 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.637 12.455 -10.720 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.750 12.777 -9.406 1.00 0.00 H new ATOM 0 HD1 HIS A 77 12.303 11.404 -12.346 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.242 9.545 -8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.698 9.271 -12.544 1.00 0.00 H new ATOM 1185 N ALA A 78 9.459 13.889 -8.261 1.00 0.00 N ATOM 1186 CA ALA A 78 9.200 15.010 -7.373 1.00 0.00 C ATOM 1187 C ALA A 78 8.238 15.984 -8.056 1.00 0.00 C ATOM 1188 O ALA A 78 8.669 16.961 -8.668 1.00 0.00 O ATOM 1189 CB ALA A 78 10.524 15.672 -6.987 1.00 0.00 C ATOM 0 H ALA A 78 9.363 14.101 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 78 8.726 14.669 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.330 16.513 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.159 14.946 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.028 16.029 -7.885 1.00 0.00 H new TER 1195 ALA A 78