USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 1 SER N :NH3+ -116:sc= 0.776 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.268 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 160:sc= -0.0193 (180deg=-0.313) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -3.47! C(o=-3.5!,f=-4.8!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 20 SER OG : rot 25:sc= 0.364! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0548 K(o=-0.055,f=-1.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.06! C(o=-2.1!,f=-14!) USER MOD Single : A 44 HIS : no HD1:sc= -4.61 K(o=-4.6,f=-3.1!) USER MOD Single : A 45 SER OG : rot 28:sc= 0.0425 USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= -0.049 (180deg=-0.687) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.494 -2.961 4.149 1.00 0.00 N ATOM 2 CA SER A 1 14.184 -3.634 4.315 1.00 0.00 C ATOM 3 C SER A 1 13.232 -3.205 3.207 1.00 0.00 C ATOM 4 O SER A 1 13.258 -2.073 2.766 1.00 0.00 O ATOM 5 CB SER A 1 13.564 -3.245 5.667 1.00 0.00 C ATOM 6 OG SER A 1 14.523 -2.376 6.251 1.00 0.00 O ATOM 0 H1 SER A 1 16.229 -3.673 3.961 1.00 0.00 H new ATOM 0 H2 SER A 1 15.444 -2.296 3.351 1.00 0.00 H new ATOM 0 H3 SER A 1 15.730 -2.442 5.019 1.00 0.00 H new ATOM 0 HA SER A 1 14.342 -4.712 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.603 -2.748 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.387 -4.121 6.291 1.00 0.00 H new ATOM 0 HG SER A 1 14.202 -2.076 7.127 1.00 0.00 H new ATOM 14 N TYR A 2 12.404 -4.118 2.777 1.00 0.00 N ATOM 15 CA TYR A 2 11.444 -3.780 1.698 1.00 0.00 C ATOM 16 C TYR A 2 10.516 -2.648 2.127 1.00 0.00 C ATOM 17 O TYR A 2 10.515 -2.242 3.273 1.00 0.00 O ATOM 18 CB TYR A 2 10.592 -5.026 1.396 1.00 0.00 C ATOM 19 CG TYR A 2 10.713 -6.022 2.552 1.00 0.00 C ATOM 20 CD1 TYR A 2 11.754 -6.928 2.592 1.00 0.00 C ATOM 21 CD2 TYR A 2 9.779 -6.032 3.569 1.00 0.00 C ATOM 22 CE1 TYR A 2 11.859 -7.831 3.631 1.00 0.00 C ATOM 23 CE2 TYR A 2 9.884 -6.936 4.608 1.00 0.00 C ATOM 24 CZ TYR A 2 10.925 -7.841 4.648 1.00 0.00 C ATOM 25 OH TYR A 2 11.031 -8.741 5.689 1.00 0.00 O ATOM 0 H TYR A 2 12.353 -5.075 3.125 1.00 0.00 H new ATOM 0 HA TYR A 2 12.002 -3.460 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 2 9.549 -4.741 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 2 10.924 -5.489 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 2 12.492 -6.930 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 2 8.960 -5.328 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 2 12.678 -8.535 3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 2 9.145 -6.935 5.396 1.00 0.00 H new ATOM 0 HH TYR A 2 10.289 -8.606 6.315 1.00 0.00 H new ATOM 35 N GLN A 3 9.741 -2.160 1.196 1.00 0.00 N ATOM 36 CA GLN A 3 8.804 -1.055 1.523 1.00 0.00 C ATOM 37 C GLN A 3 9.514 0.061 2.278 1.00 0.00 C ATOM 38 O GLN A 3 9.667 -0.004 3.483 1.00 0.00 O ATOM 39 CB GLN A 3 7.683 -1.616 2.409 1.00 0.00 C ATOM 40 CG GLN A 3 6.541 -2.102 1.517 1.00 0.00 C ATOM 41 CD GLN A 3 5.500 -2.821 2.375 1.00 0.00 C ATOM 42 OE1 GLN A 3 4.986 -3.857 2.007 1.00 0.00 O ATOM 43 NE2 GLN A 3 5.161 -2.306 3.525 1.00 0.00 N ATOM 0 H GLN A 3 9.718 -2.479 0.228 1.00 0.00 H new ATOM 0 HA GLN A 3 8.405 -0.645 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.060 -2.437 3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.325 -0.848 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.083 -1.258 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.924 -2.775 0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.589 -1.436 3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.468 -2.774 4.109 1.00 0.00 H new ATOM 52 N VAL A 4 9.928 1.067 1.549 1.00 0.00 N ATOM 53 CA VAL A 4 10.633 2.209 2.188 1.00 0.00 C ATOM 54 C VAL A 4 9.756 3.457 2.188 1.00 0.00 C ATOM 55 O VAL A 4 10.155 4.497 2.671 1.00 0.00 O ATOM 56 CB VAL A 4 11.900 2.500 1.370 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.053 1.652 1.907 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.647 2.134 -0.094 1.00 0.00 C ATOM 0 H VAL A 4 9.806 1.143 0.539 1.00 0.00 H new ATOM 0 HA VAL A 4 10.873 1.952 3.220 1.00 0.00 H new ATOM 0 HB VAL A 4 12.154 3.557 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.954 1.856 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.230 1.899 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.798 0.596 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.543 2.338 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.399 1.075 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.818 2.728 -0.479 1.00 0.00 H new ATOM 68 N ILE A 5 8.575 3.323 1.634 1.00 0.00 N ATOM 69 CA ILE A 5 7.643 4.467 1.577 1.00 0.00 C ATOM 70 C ILE A 5 6.328 4.155 2.298 1.00 0.00 C ATOM 71 O ILE A 5 6.156 3.089 2.854 1.00 0.00 O ATOM 72 CB ILE A 5 7.344 4.726 0.111 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.966 3.424 -0.580 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.612 5.279 -0.554 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.882 3.707 -1.622 1.00 0.00 C ATOM 0 H ILE A 5 8.224 2.460 1.219 1.00 0.00 H new ATOM 0 HA ILE A 5 8.096 5.330 2.064 1.00 0.00 H new ATOM 0 HB ILE A 5 6.520 5.434 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.841 2.984 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.605 2.701 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.415 5.471 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.904 6.208 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.418 4.551 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.606 2.778 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.006 4.129 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.261 4.416 -2.358 1.00 0.00 H new ATOM 87 N CYS A 6 5.426 5.103 2.267 1.00 0.00 N ATOM 88 CA CYS A 6 4.111 4.901 2.937 1.00 0.00 C ATOM 89 C CYS A 6 3.003 5.504 2.087 1.00 0.00 C ATOM 90 O CYS A 6 2.877 6.705 2.002 1.00 0.00 O ATOM 91 CB CYS A 6 4.137 5.618 4.297 1.00 0.00 C ATOM 92 SG CYS A 6 4.149 4.584 5.779 1.00 0.00 S ATOM 0 H CYS A 6 5.545 6.006 1.807 1.00 0.00 H new ATOM 0 HA CYS A 6 3.928 3.835 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.020 6.257 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.267 6.273 4.350 1.00 0.00 H new ATOM 97 N ARG A 7 2.208 4.663 1.485 1.00 0.00 N ATOM 98 CA ARG A 7 1.110 5.180 0.637 1.00 0.00 C ATOM 99 C ARG A 7 -0.172 5.419 1.430 1.00 0.00 C ATOM 100 O ARG A 7 -0.798 4.490 1.900 1.00 0.00 O ATOM 101 CB ARG A 7 0.820 4.131 -0.441 1.00 0.00 C ATOM 102 CG ARG A 7 -0.157 4.719 -1.461 1.00 0.00 C ATOM 103 CD ARG A 7 -0.265 3.773 -2.659 1.00 0.00 C ATOM 104 NE ARG A 7 0.933 3.952 -3.525 1.00 0.00 N ATOM 105 CZ ARG A 7 1.241 3.028 -4.392 1.00 0.00 C ATOM 106 NH1 ARG A 7 0.586 2.978 -5.519 1.00 0.00 N ATOM 107 NH2 ARG A 7 2.193 2.184 -4.103 1.00 0.00 N ATOM 0 H ARG A 7 2.274 3.647 1.546 1.00 0.00 H new ATOM 0 HA ARG A 7 1.423 6.135 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.745 3.833 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.397 3.234 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.137 4.860 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.187 5.701 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.333 2.740 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.173 3.983 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 7 1.508 4.790 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.153 3.655 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.813 2.262 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.683 2.254 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.447 1.455 -4.769 1.00 0.00 H new ATOM 121 N ASP A 8 -0.538 6.672 1.557 1.00 0.00 N ATOM 122 CA ASP A 8 -1.776 7.007 2.309 1.00 0.00 C ATOM 123 C ASP A 8 -2.933 7.245 1.339 1.00 0.00 C ATOM 124 O ASP A 8 -2.885 8.146 0.518 1.00 0.00 O ATOM 125 CB ASP A 8 -1.523 8.287 3.113 1.00 0.00 C ATOM 126 CG ASP A 8 -2.603 8.432 4.185 1.00 0.00 C ATOM 127 OD1 ASP A 8 -2.370 7.909 5.262 1.00 0.00 O ATOM 128 OD2 ASP A 8 -3.599 9.056 3.866 1.00 0.00 O ATOM 0 H ASP A 8 -0.032 7.470 1.172 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.035 6.182 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.537 8.250 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.532 9.153 2.452 1.00 0.00 H new ATOM 133 N GLU A 9 -3.953 6.430 1.453 1.00 0.00 N ATOM 134 CA GLU A 9 -5.123 6.579 0.553 1.00 0.00 C ATOM 135 C GLU A 9 -6.137 7.586 1.092 1.00 0.00 C ATOM 136 O GLU A 9 -7.160 7.820 0.482 1.00 0.00 O ATOM 137 CB GLU A 9 -5.807 5.214 0.450 1.00 0.00 C ATOM 138 CG GLU A 9 -6.380 4.841 1.817 1.00 0.00 C ATOM 139 CD GLU A 9 -6.758 3.359 1.818 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.754 3.054 1.182 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.030 2.615 2.454 1.00 0.00 O ATOM 0 H GLU A 9 -4.020 5.671 2.131 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.774 6.940 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.602 5.246 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.093 4.459 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.647 5.042 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.256 5.452 2.036 1.00 0.00 H new ATOM 148 N LYS A 10 -5.843 8.163 2.220 1.00 0.00 N ATOM 149 CA LYS A 10 -6.793 9.153 2.790 1.00 0.00 C ATOM 150 C LYS A 10 -6.559 10.509 2.162 1.00 0.00 C ATOM 151 O LYS A 10 -7.353 11.417 2.306 1.00 0.00 O ATOM 152 CB LYS A 10 -6.543 9.254 4.305 1.00 0.00 C ATOM 153 CG LYS A 10 -7.834 8.932 5.074 1.00 0.00 C ATOM 154 CD LYS A 10 -8.077 7.420 5.050 1.00 0.00 C ATOM 155 CE LYS A 10 -9.469 7.128 5.619 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.505 7.226 4.550 1.00 0.00 N ATOM 0 H LYS A 10 -4.998 7.995 2.766 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.817 8.836 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.753 8.562 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.199 10.257 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.754 9.282 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.678 9.454 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.001 7.043 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.315 6.907 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.486 6.131 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.696 7.833 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.442 7.025 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.500 8.185 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.297 6.536 3.800 1.00 0.00 H new ATOM 170 N THR A 11 -5.461 10.616 1.480 1.00 0.00 N ATOM 171 CA THR A 11 -5.122 11.895 0.816 1.00 0.00 C ATOM 172 C THR A 11 -4.540 11.605 -0.548 1.00 0.00 C ATOM 173 O THR A 11 -4.506 12.460 -1.409 1.00 0.00 O ATOM 174 CB THR A 11 -4.077 12.630 1.658 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.978 12.835 0.793 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.534 11.720 2.763 1.00 0.00 C ATOM 0 H THR A 11 -4.780 9.868 1.353 1.00 0.00 H new ATOM 0 HA THR A 11 -6.017 12.509 0.713 1.00 0.00 H new ATOM 0 HB THR A 11 -4.513 13.533 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.267 13.307 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.793 12.263 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.352 11.408 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.070 10.841 2.315 1.00 0.00 H new ATOM 184 N GLN A 12 -4.078 10.387 -0.710 1.00 0.00 N ATOM 185 CA GLN A 12 -3.484 9.979 -2.004 1.00 0.00 C ATOM 186 C GLN A 12 -2.083 10.532 -2.133 1.00 0.00 C ATOM 187 O GLN A 12 -1.684 10.982 -3.189 1.00 0.00 O ATOM 188 CB GLN A 12 -4.353 10.529 -3.154 1.00 0.00 C ATOM 189 CG GLN A 12 -4.311 9.553 -4.331 1.00 0.00 C ATOM 190 CD GLN A 12 -5.219 10.070 -5.448 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.029 11.152 -5.968 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.218 9.330 -5.846 1.00 0.00 N ATOM 0 H GLN A 12 -4.091 9.662 0.007 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.443 8.891 -2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.380 10.665 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.988 11.508 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.289 9.449 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.637 8.564 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.383 8.421 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.833 9.661 -6.589 1.00 0.00 H new ATOM 201 N MET A 13 -1.360 10.487 -1.043 1.00 0.00 N ATOM 202 CA MET A 13 0.028 11.001 -1.056 1.00 0.00 C ATOM 203 C MET A 13 0.966 10.000 -0.401 1.00 0.00 C ATOM 204 O MET A 13 0.626 9.392 0.594 1.00 0.00 O ATOM 205 CB MET A 13 0.061 12.314 -0.265 1.00 0.00 C ATOM 206 CG MET A 13 1.494 12.836 -0.226 1.00 0.00 C ATOM 207 SD MET A 13 2.398 12.903 -1.793 1.00 0.00 S ATOM 208 CE MET A 13 1.201 13.913 -2.704 1.00 0.00 C ATOM 0 H MET A 13 -1.678 10.115 -0.148 1.00 0.00 H new ATOM 0 HA MET A 13 0.350 11.162 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.595 13.050 -0.730 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.308 12.153 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.475 13.841 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.061 12.212 0.464 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.692 14.375 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.383 13.282 -3.051 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.807 14.690 -2.049 1.00 0.00 H new ATOM 218 N ILE A 14 2.136 9.850 -0.970 1.00 0.00 N ATOM 219 CA ILE A 14 3.110 8.896 -0.401 1.00 0.00 C ATOM 220 C ILE A 14 4.194 9.609 0.405 1.00 0.00 C ATOM 221 O ILE A 14 4.545 10.737 0.116 1.00 0.00 O ATOM 222 CB ILE A 14 3.755 8.160 -1.564 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.677 7.759 -2.561 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.432 6.890 -1.026 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.249 6.747 -3.554 1.00 0.00 C ATOM 0 H ILE A 14 2.450 10.350 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 14 2.595 8.214 0.275 1.00 0.00 H new ATOM 0 HB ILE A 14 4.488 8.802 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.825 7.327 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.313 8.639 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.900 6.350 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.192 7.165 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.685 6.253 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.476 6.461 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.087 7.195 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.592 5.863 -3.016 1.00 0.00 H new ATOM 237 N TYR A 15 4.701 8.926 1.406 1.00 0.00 N ATOM 238 CA TYR A 15 5.763 9.523 2.256 1.00 0.00 C ATOM 239 C TYR A 15 6.927 8.548 2.435 1.00 0.00 C ATOM 240 O TYR A 15 6.825 7.387 2.092 1.00 0.00 O ATOM 241 CB TYR A 15 5.156 9.832 3.631 1.00 0.00 C ATOM 242 CG TYR A 15 3.883 10.660 3.446 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.958 12.006 3.140 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.642 10.074 3.582 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.808 12.752 2.974 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.493 10.821 3.416 1.00 0.00 C ATOM 247 CZ TYR A 15 1.568 12.165 3.111 1.00 0.00 C ATOM 248 OH TYR A 15 0.418 12.910 2.946 1.00 0.00 O ATOM 0 H TYR A 15 4.420 7.980 1.665 1.00 0.00 H new ATOM 0 HA TYR A 15 6.140 10.428 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.928 8.905 4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.873 10.378 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.923 12.478 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.569 9.023 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.880 13.803 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.527 10.350 3.526 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.365 12.336 3.078 1.00 0.00 H new ATOM 258 N GLN A 16 8.012 9.038 2.973 1.00 0.00 N ATOM 259 CA GLN A 16 9.189 8.163 3.183 1.00 0.00 C ATOM 260 C GLN A 16 9.148 7.476 4.538 1.00 0.00 C ATOM 261 O GLN A 16 8.137 7.464 5.212 1.00 0.00 O ATOM 262 CB GLN A 16 10.445 9.039 3.120 1.00 0.00 C ATOM 263 CG GLN A 16 10.342 9.978 1.918 1.00 0.00 C ATOM 264 CD GLN A 16 11.746 10.416 1.495 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.412 11.159 2.188 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.232 9.977 0.366 1.00 0.00 N ATOM 0 H GLN A 16 8.129 10.006 3.274 1.00 0.00 H new ATOM 0 HA GLN A 16 9.191 7.392 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.548 9.615 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.335 8.415 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.841 9.475 1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.739 10.849 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.677 9.353 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.167 10.258 0.069 1.00 0.00 H new ATOM 275 N GLN A 17 10.263 6.917 4.902 1.00 0.00 N ATOM 276 CA GLN A 17 10.356 6.211 6.207 1.00 0.00 C ATOM 277 C GLN A 17 10.484 7.196 7.369 1.00 0.00 C ATOM 278 O GLN A 17 11.097 8.236 7.237 1.00 0.00 O ATOM 279 CB GLN A 17 11.616 5.326 6.185 1.00 0.00 C ATOM 280 CG GLN A 17 11.278 3.952 5.590 1.00 0.00 C ATOM 281 CD GLN A 17 12.463 3.459 4.761 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.953 2.364 4.950 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.952 4.234 3.830 1.00 0.00 N ATOM 0 H GLN A 17 11.120 6.918 4.349 1.00 0.00 H new ATOM 0 HA GLN A 17 9.449 5.623 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.398 5.805 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.006 5.208 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.056 3.242 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.386 4.021 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.544 5.155 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.741 3.918 3.266 1.00 0.00 H new ATOM 292 N HIS A 18 9.889 6.848 8.487 1.00 0.00 N ATOM 293 CA HIS A 18 9.964 7.748 9.673 1.00 0.00 C ATOM 294 C HIS A 18 9.502 9.151 9.322 1.00 0.00 C ATOM 295 O HIS A 18 9.865 10.109 9.975 1.00 0.00 O ATOM 296 CB HIS A 18 11.423 7.809 10.156 1.00 0.00 C ATOM 297 CG HIS A 18 11.890 6.404 10.557 1.00 0.00 C ATOM 298 ND1 HIS A 18 13.045 5.963 10.388 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.188 5.378 11.163 1.00 0.00 C ATOM 300 CE1 HIS A 18 13.158 4.775 10.820 1.00 0.00 C ATOM 301 NE2 HIS A 18 12.019 4.312 11.334 1.00 0.00 N ATOM 0 H HIS A 18 9.360 5.987 8.625 1.00 0.00 H new ATOM 0 HA HIS A 18 9.313 7.354 10.454 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.062 8.204 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.508 8.488 11.005 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.149 5.416 11.454 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.074 4.204 10.776 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.822 3.400 11.747 1.00 0.00 H new ATOM 309 N GLN A 19 8.704 9.243 8.299 1.00 0.00 N ATOM 310 CA GLN A 19 8.200 10.571 7.883 1.00 0.00 C ATOM 311 C GLN A 19 6.823 10.815 8.489 1.00 0.00 C ATOM 312 O GLN A 19 5.920 10.029 8.304 1.00 0.00 O ATOM 313 CB GLN A 19 8.088 10.583 6.354 1.00 0.00 C ATOM 314 CG GLN A 19 7.921 12.027 5.876 1.00 0.00 C ATOM 315 CD GLN A 19 9.286 12.581 5.466 1.00 0.00 C ATOM 316 OE1 GLN A 19 9.430 13.204 4.433 1.00 0.00 O ATOM 317 NE2 GLN A 19 10.312 12.375 6.245 1.00 0.00 N ATOM 0 H GLN A 19 8.381 8.456 7.736 1.00 0.00 H new ATOM 0 HA GLN A 19 8.880 11.351 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.978 10.140 5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.238 9.980 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.231 12.066 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.490 12.638 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.196 11.853 7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.230 12.736 5.986 1.00 0.00 H new ATOM 326 N SER A 20 6.689 11.900 9.204 1.00 0.00 N ATOM 327 CA SER A 20 5.375 12.204 9.829 1.00 0.00 C ATOM 328 C SER A 20 4.510 13.103 8.963 1.00 0.00 C ATOM 329 O SER A 20 4.966 14.092 8.425 1.00 0.00 O ATOM 330 CB SER A 20 5.635 12.919 11.160 1.00 0.00 C ATOM 331 OG SER A 20 6.383 14.069 10.795 1.00 0.00 O ATOM 0 H SER A 20 7.427 12.582 9.380 1.00 0.00 H new ATOM 0 HA SER A 20 4.842 11.263 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.703 13.191 11.655 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.190 12.285 11.851 1.00 0.00 H new ATOM 0 HG SER A 20 6.185 14.307 9.865 1.00 0.00 H new ATOM 337 N TRP A 21 3.262 12.732 8.852 1.00 0.00 N ATOM 338 CA TRP A 21 2.324 13.535 8.034 1.00 0.00 C ATOM 339 C TRP A 21 0.934 13.518 8.660 1.00 0.00 C ATOM 340 O TRP A 21 0.341 12.473 8.843 1.00 0.00 O ATOM 341 CB TRP A 21 2.270 12.964 6.598 1.00 0.00 C ATOM 342 CG TRP A 21 1.449 11.658 6.539 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.153 11.603 6.235 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.957 10.442 6.645 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.101 10.280 6.146 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.991 9.479 6.394 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.245 10.043 6.966 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.309 8.139 6.452 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.557 8.695 7.028 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.590 7.747 6.770 1.00 0.00 C ATOM 0 H TRP A 21 2.857 11.907 9.295 1.00 0.00 H new ATOM 0 HA TRP A 21 2.674 14.566 7.996 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.830 13.702 5.928 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.283 12.775 6.242 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.534 12.424 6.093 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.022 9.906 5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.005 10.783 7.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.552 7.396 6.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.561 8.386 7.279 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.837 6.697 6.817 1.00 0.00 H new ATOM 361 N LEU A 22 0.443 14.688 8.975 1.00 0.00 N ATOM 362 CA LEU A 22 -0.901 14.785 9.593 1.00 0.00 C ATOM 363 C LEU A 22 -1.996 14.641 8.548 1.00 0.00 C ATOM 364 O LEU A 22 -1.752 14.769 7.365 1.00 0.00 O ATOM 365 CB LEU A 22 -1.029 16.185 10.238 1.00 0.00 C ATOM 366 CG LEU A 22 -0.266 16.247 11.585 1.00 0.00 C ATOM 367 CD1 LEU A 22 -1.067 15.524 12.677 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.116 15.591 11.446 1.00 0.00 C ATOM 0 H LEU A 22 0.919 15.578 8.829 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.012 13.988 10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.635 16.940 9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.081 16.420 10.401 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.138 17.293 11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.523 15.573 13.620 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.039 16.004 12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.209 14.481 12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.641 15.642 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.996 14.548 11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.694 16.117 10.686 1.00 0.00 H new ATOM 380 N ARG A 23 -3.188 14.373 9.019 1.00 0.00 N ATOM 381 CA ARG A 23 -4.335 14.211 8.093 1.00 0.00 C ATOM 382 C ARG A 23 -5.563 14.979 8.633 1.00 0.00 C ATOM 383 O ARG A 23 -5.638 15.267 9.811 1.00 0.00 O ATOM 384 CB ARG A 23 -4.657 12.699 8.017 1.00 0.00 C ATOM 385 CG ARG A 23 -4.004 12.093 6.759 1.00 0.00 C ATOM 386 CD ARG A 23 -3.689 10.618 7.016 1.00 0.00 C ATOM 387 NE ARG A 23 -4.957 9.899 7.329 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.905 8.711 7.866 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.901 7.927 7.571 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.860 8.344 8.677 1.00 0.00 N ATOM 0 H ARG A 23 -3.410 14.260 10.008 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.091 14.606 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.289 12.193 8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.736 12.548 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.673 12.191 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.091 12.634 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.212 10.177 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.987 10.522 7.844 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.858 10.332 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.175 8.247 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.844 6.995 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.629 8.982 8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.837 7.419 9.107 1.00 0.00 H new ATOM 404 N PRO A 24 -6.513 15.300 7.751 1.00 0.00 N ATOM 405 CA PRO A 24 -7.716 16.029 8.156 1.00 0.00 C ATOM 406 C PRO A 24 -8.419 15.386 9.348 1.00 0.00 C ATOM 407 O PRO A 24 -8.115 14.276 9.737 1.00 0.00 O ATOM 408 CB PRO A 24 -8.641 15.988 6.924 1.00 0.00 C ATOM 409 CG PRO A 24 -7.850 15.300 5.772 1.00 0.00 C ATOM 410 CD PRO A 24 -6.458 14.944 6.321 1.00 0.00 C ATOM 0 HA PRO A 24 -7.460 17.041 8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.553 15.435 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.941 16.995 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.369 14.404 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.765 15.966 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.239 13.885 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.675 15.500 5.805 1.00 0.00 H new ATOM 418 N VAL A 25 -9.353 16.114 9.902 1.00 0.00 N ATOM 419 CA VAL A 25 -10.107 15.600 11.069 1.00 0.00 C ATOM 420 C VAL A 25 -11.376 14.882 10.632 1.00 0.00 C ATOM 421 O VAL A 25 -11.708 14.856 9.463 1.00 0.00 O ATOM 422 CB VAL A 25 -10.487 16.818 11.957 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.542 17.978 11.646 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.932 17.277 11.669 1.00 0.00 C ATOM 0 H VAL A 25 -9.623 17.047 9.590 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.490 14.886 11.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.407 16.521 13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.803 18.836 12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.516 17.677 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.633 18.249 10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.176 18.130 12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.020 17.565 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.622 16.460 11.880 1.00 0.00 H new ATOM 434 N LEU A 26 -12.065 14.311 11.582 1.00 0.00 N ATOM 435 CA LEU A 26 -13.307 13.598 11.243 1.00 0.00 C ATOM 436 C LEU A 26 -14.434 14.600 11.038 1.00 0.00 C ATOM 437 O LEU A 26 -14.840 14.860 9.924 1.00 0.00 O ATOM 438 CB LEU A 26 -13.700 12.626 12.399 1.00 0.00 C ATOM 439 CG LEU A 26 -12.743 12.754 13.604 1.00 0.00 C ATOM 440 CD1 LEU A 26 -13.052 14.043 14.380 1.00 0.00 C ATOM 441 CD2 LEU A 26 -12.967 11.557 14.531 1.00 0.00 C ATOM 0 H LEU A 26 -11.815 14.313 12.571 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.145 13.029 10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.720 12.837 12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.687 11.600 12.032 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.712 12.782 13.252 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.374 14.128 15.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.921 14.903 13.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.081 14.014 14.739 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.298 11.631 15.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.001 11.553 14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.761 10.634 13.989 1.00 0.00 H new ATOM 453 N ARG A 27 -14.909 15.150 12.121 1.00 0.00 N ATOM 454 CA ARG A 27 -16.012 16.142 12.021 1.00 0.00 C ATOM 455 C ARG A 27 -15.875 17.208 13.098 1.00 0.00 C ATOM 456 O ARG A 27 -16.507 18.244 13.035 1.00 0.00 O ATOM 457 CB ARG A 27 -17.347 15.411 12.231 1.00 0.00 C ATOM 458 CG ARG A 27 -17.522 14.354 11.145 1.00 0.00 C ATOM 459 CD ARG A 27 -19.006 14.013 11.016 1.00 0.00 C ATOM 460 NE ARG A 27 -19.689 15.110 10.274 1.00 0.00 N ATOM 461 CZ ARG A 27 -20.519 14.814 9.311 1.00 0.00 C ATOM 462 NH1 ARG A 27 -21.426 13.900 9.520 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.413 15.442 8.172 1.00 0.00 N ATOM 0 H ARG A 27 -14.581 14.955 13.067 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.972 16.617 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -17.367 14.944 13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -18.173 16.122 12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -17.137 14.724 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.951 13.460 11.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -19.131 13.067 10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -19.452 13.890 12.003 1.00 0.00 H new ATOM 0 HE ARG A 27 -19.509 16.084 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -21.478 13.430 10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -22.083 13.655 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -19.690 16.151 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.053 15.224 7.408 1.00 0.00 H new ATOM 477 N SER A 28 -15.050 16.937 14.069 1.00 0.00 N ATOM 478 CA SER A 28 -14.858 17.919 15.161 1.00 0.00 C ATOM 479 C SER A 28 -13.708 18.875 14.850 1.00 0.00 C ATOM 480 O SER A 28 -13.809 19.705 13.968 1.00 0.00 O ATOM 481 CB SER A 28 -14.528 17.146 16.443 1.00 0.00 C ATOM 482 OG SER A 28 -15.772 16.593 16.846 1.00 0.00 O ATOM 0 H SER A 28 -14.503 16.080 14.151 1.00 0.00 H new ATOM 0 HA SER A 28 -15.769 18.507 15.275 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.787 16.368 16.259 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.117 17.803 17.210 1.00 0.00 H new ATOM 0 HG SER A 28 -15.648 16.075 17.668 1.00 0.00 H new ATOM 488 N ASN A 29 -12.636 18.739 15.584 1.00 0.00 N ATOM 489 CA ASN A 29 -11.472 19.632 15.347 1.00 0.00 C ATOM 490 C ASN A 29 -10.161 18.925 15.680 1.00 0.00 C ATOM 491 O ASN A 29 -9.130 19.553 15.815 1.00 0.00 O ATOM 492 CB ASN A 29 -11.613 20.859 16.259 1.00 0.00 C ATOM 493 CG ASN A 29 -11.232 22.117 15.479 1.00 0.00 C ATOM 494 OD1 ASN A 29 -10.163 22.667 15.651 1.00 0.00 O ATOM 495 ND2 ASN A 29 -12.078 22.604 14.612 1.00 0.00 N ATOM 0 H ASN A 29 -12.519 18.054 16.330 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.455 19.919 14.296 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.637 20.940 16.623 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.971 20.752 17.134 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.840 23.443 14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.977 22.146 14.464 1.00 0.00 H new ATOM 502 N ARG A 30 -10.224 17.630 15.805 1.00 0.00 N ATOM 503 CA ARG A 30 -9.002 16.862 16.126 1.00 0.00 C ATOM 504 C ARG A 30 -8.108 16.763 14.907 1.00 0.00 C ATOM 505 O ARG A 30 -8.380 17.358 13.896 1.00 0.00 O ATOM 506 CB ARG A 30 -9.427 15.448 16.538 1.00 0.00 C ATOM 507 CG ARG A 30 -10.446 15.539 17.675 1.00 0.00 C ATOM 508 CD ARG A 30 -9.967 14.676 18.841 1.00 0.00 C ATOM 509 NE ARG A 30 -11.012 14.667 19.902 1.00 0.00 N ATOM 510 CZ ARG A 30 -10.739 14.139 21.063 1.00 0.00 C ATOM 511 NH1 ARG A 30 -10.734 12.840 21.179 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.477 14.930 22.068 1.00 0.00 N ATOM 0 H ARG A 30 -11.072 17.074 15.698 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.456 17.360 16.927 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.860 14.923 15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.558 14.873 16.858 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.561 16.574 17.995 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.424 15.200 17.333 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.769 13.660 18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.031 15.067 19.239 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.932 15.070 19.723 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.941 12.255 20.370 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.523 12.409 22.079 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.488 15.942 21.937 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.261 14.536 22.984 1.00 0.00 H new ATOM 526 N VAL A 31 -7.050 16.023 15.033 1.00 0.00 N ATOM 527 CA VAL A 31 -6.122 15.872 13.881 1.00 0.00 C ATOM 528 C VAL A 31 -5.573 14.459 13.824 1.00 0.00 C ATOM 529 O VAL A 31 -5.201 13.897 14.835 1.00 0.00 O ATOM 530 CB VAL A 31 -4.952 16.850 14.057 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.047 17.939 12.988 1.00 0.00 C ATOM 532 CG2 VAL A 31 -5.032 17.493 15.444 1.00 0.00 C ATOM 0 H VAL A 31 -6.786 15.517 15.878 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.664 16.081 12.958 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.007 16.316 13.958 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.219 18.638 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.999 17.483 11.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.991 18.473 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.202 18.188 15.571 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.975 18.032 15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.976 16.718 16.208 1.00 0.00 H new ATOM 542 N GLU A 32 -5.528 13.901 12.644 1.00 0.00 N ATOM 543 CA GLU A 32 -5.003 12.526 12.527 1.00 0.00 C ATOM 544 C GLU A 32 -3.506 12.535 12.301 1.00 0.00 C ATOM 545 O GLU A 32 -3.016 13.112 11.350 1.00 0.00 O ATOM 546 CB GLU A 32 -5.677 11.836 11.341 1.00 0.00 C ATOM 547 CG GLU A 32 -6.989 11.209 11.813 1.00 0.00 C ATOM 548 CD GLU A 32 -7.864 10.888 10.601 1.00 0.00 C ATOM 549 OE1 GLU A 32 -8.410 11.836 10.061 1.00 0.00 O ATOM 550 OE2 GLU A 32 -7.939 9.713 10.284 1.00 0.00 O ATOM 0 H GLU A 32 -5.829 14.336 11.772 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.214 11.993 13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.868 12.556 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.021 11.070 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.787 10.300 12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.512 11.893 12.482 1.00 0.00 H new ATOM 557 N TYR A 33 -2.812 11.891 13.179 1.00 0.00 N ATOM 558 CA TYR A 33 -1.350 11.830 13.066 1.00 0.00 C ATOM 559 C TYR A 33 -0.951 10.545 12.383 1.00 0.00 C ATOM 560 O TYR A 33 -1.401 9.490 12.767 1.00 0.00 O ATOM 561 CB TYR A 33 -0.788 11.826 14.487 1.00 0.00 C ATOM 562 CG TYR A 33 0.623 12.421 14.508 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.651 11.834 13.792 1.00 0.00 C ATOM 564 CD2 TYR A 33 0.898 13.535 15.277 1.00 0.00 C ATOM 565 CE1 TYR A 33 2.925 12.351 13.847 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.172 14.050 15.332 1.00 0.00 C ATOM 567 CZ TYR A 33 3.198 13.464 14.618 1.00 0.00 C ATOM 568 OH TYR A 33 4.476 13.981 14.675 1.00 0.00 O ATOM 0 H TYR A 33 -3.205 11.398 13.981 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.972 12.675 12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.441 12.400 15.144 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.765 10.807 14.872 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.452 10.963 13.185 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.106 14.006 15.840 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.718 11.883 13.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.372 14.921 15.939 1.00 0.00 H new ATOM 0 HH TYR A 33 4.486 14.764 15.264 1.00 0.00 H new ATOM 578 N CYS A 34 -0.111 10.643 11.388 1.00 0.00 N ATOM 579 CA CYS A 34 0.308 9.406 10.687 1.00 0.00 C ATOM 580 C CYS A 34 1.771 9.455 10.252 1.00 0.00 C ATOM 581 O CYS A 34 2.161 10.301 9.474 1.00 0.00 O ATOM 582 CB CYS A 34 -0.573 9.236 9.445 1.00 0.00 C ATOM 583 SG CYS A 34 -2.103 8.290 9.639 1.00 0.00 S ATOM 0 H CYS A 34 0.294 11.511 11.038 1.00 0.00 H new ATOM 0 HA CYS A 34 0.197 8.569 11.376 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.834 10.229 9.078 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.025 8.756 8.670 1.00 0.00 H new ATOM 588 N TRP A 35 2.555 8.532 10.774 1.00 0.00 N ATOM 589 CA TRP A 35 3.999 8.487 10.416 1.00 0.00 C ATOM 590 C TRP A 35 4.421 7.064 10.076 1.00 0.00 C ATOM 591 O TRP A 35 3.923 6.120 10.642 1.00 0.00 O ATOM 592 CB TRP A 35 4.826 8.972 11.616 1.00 0.00 C ATOM 593 CG TRP A 35 5.330 7.758 12.412 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.441 7.108 12.119 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.750 7.248 13.483 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.529 6.167 13.067 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.493 6.186 13.981 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.577 7.615 14.130 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.076 5.510 15.108 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.165 6.933 15.260 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.913 5.882 15.746 1.00 0.00 C ATOM 0 H TRP A 35 2.249 7.814 11.430 1.00 0.00 H new ATOM 0 HA TRP A 35 4.167 9.126 9.549 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.669 9.571 11.272 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.219 9.613 12.255 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.123 7.293 11.302 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.294 5.494 13.111 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.986 8.435 13.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.662 4.688 15.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.255 7.224 15.763 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.587 5.350 16.627 1.00 0.00 H new ATOM 612 N CYS A 36 5.344 6.943 9.162 1.00 0.00 N ATOM 613 CA CYS A 36 5.815 5.581 8.766 1.00 0.00 C ATOM 614 C CYS A 36 6.861 5.022 9.720 1.00 0.00 C ATOM 615 O CYS A 36 7.911 5.595 9.893 1.00 0.00 O ATOM 616 CB CYS A 36 6.459 5.684 7.386 1.00 0.00 C ATOM 617 SG CYS A 36 6.107 4.363 6.203 1.00 0.00 S ATOM 0 H CYS A 36 5.791 7.720 8.674 1.00 0.00 H new ATOM 0 HA CYS A 36 4.952 4.916 8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.148 6.628 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.539 5.736 7.521 1.00 0.00 H new ATOM 622 N ASN A 37 6.559 3.896 10.309 1.00 0.00 N ATOM 623 CA ASN A 37 7.531 3.286 11.252 1.00 0.00 C ATOM 624 C ASN A 37 8.452 2.333 10.500 1.00 0.00 C ATOM 625 O ASN A 37 9.499 1.957 10.986 1.00 0.00 O ATOM 626 CB ASN A 37 6.757 2.490 12.313 1.00 0.00 C ATOM 627 CG ASN A 37 7.543 2.497 13.627 1.00 0.00 C ATOM 628 OD1 ASN A 37 8.720 2.796 13.659 1.00 0.00 O ATOM 629 ND2 ASN A 37 6.929 2.174 14.731 1.00 0.00 N ATOM 0 H ASN A 37 5.690 3.379 10.178 1.00 0.00 H new ATOM 0 HA ASN A 37 8.124 4.071 11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.770 2.928 12.464 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.603 1.466 11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.437 2.173 15.616 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.941 1.922 14.710 1.00 0.00 H new ATOM 636 N SER A 38 8.032 1.962 9.319 1.00 0.00 N ATOM 637 CA SER A 38 8.852 1.034 8.500 1.00 0.00 C ATOM 638 C SER A 38 8.230 0.862 7.118 1.00 0.00 C ATOM 639 O SER A 38 8.909 0.536 6.164 1.00 0.00 O ATOM 640 CB SER A 38 8.893 -0.335 9.200 1.00 0.00 C ATOM 641 OG SER A 38 10.274 -0.671 9.223 1.00 0.00 O ATOM 0 H SER A 38 7.157 2.263 8.890 1.00 0.00 H new ATOM 0 HA SER A 38 9.857 1.441 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.479 -0.280 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.311 -1.079 8.656 1.00 0.00 H new ATOM 0 HG SER A 38 10.392 -1.540 9.660 1.00 0.00 H new ATOM 647 N GLY A 39 6.945 1.085 7.038 1.00 0.00 N ATOM 648 CA GLY A 39 6.252 0.941 5.726 1.00 0.00 C ATOM 649 C GLY A 39 4.785 0.553 5.934 1.00 0.00 C ATOM 650 O GLY A 39 4.084 0.249 4.989 1.00 0.00 O ATOM 0 H GLY A 39 6.349 1.359 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.311 1.878 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.753 0.183 5.125 1.00 0.00 H new ATOM 654 N ARG A 40 4.355 0.573 7.175 1.00 0.00 N ATOM 655 CA ARG A 40 2.940 0.209 7.476 1.00 0.00 C ATOM 656 C ARG A 40 2.138 1.438 7.877 1.00 0.00 C ATOM 657 O ARG A 40 0.983 1.338 8.240 1.00 0.00 O ATOM 658 CB ARG A 40 2.935 -0.783 8.650 1.00 0.00 C ATOM 659 CG ARG A 40 3.801 -0.229 9.785 1.00 0.00 C ATOM 660 CD ARG A 40 3.769 -1.208 10.960 1.00 0.00 C ATOM 661 NE ARG A 40 5.097 -1.201 11.635 1.00 0.00 N ATOM 662 CZ ARG A 40 5.934 -2.178 11.414 1.00 0.00 C ATOM 663 NH1 ARG A 40 6.657 -2.159 10.328 1.00 0.00 N ATOM 664 NH2 ARG A 40 6.021 -3.144 12.289 1.00 0.00 N ATOM 0 H ARG A 40 4.922 0.825 7.985 1.00 0.00 H new ATOM 0 HA ARG A 40 2.489 -0.229 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.916 -0.944 9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.317 -1.751 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.826 -0.087 9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.431 0.747 10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.987 -0.925 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.532 -2.212 10.607 1.00 0.00 H new ATOM 0 HE ARG A 40 5.350 -0.439 12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.563 -1.388 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.316 -2.915 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.441 -3.126 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.669 -3.916 12.134 1.00 0.00 H new ATOM 678 N ALA A 41 2.763 2.575 7.804 1.00 0.00 N ATOM 679 CA ALA A 41 2.054 3.822 8.176 1.00 0.00 C ATOM 680 C ALA A 41 1.473 3.722 9.582 1.00 0.00 C ATOM 681 O ALA A 41 0.395 3.196 9.779 1.00 0.00 O ATOM 682 CB ALA A 41 0.906 4.056 7.181 1.00 0.00 C ATOM 0 H ALA A 41 3.731 2.694 7.504 1.00 0.00 H new ATOM 0 HA ALA A 41 2.765 4.648 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.377 4.972 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.311 4.149 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.215 3.214 7.218 1.00 0.00 H new ATOM 688 N GLN A 42 2.205 4.230 10.534 1.00 0.00 N ATOM 689 CA GLN A 42 1.727 4.186 11.936 1.00 0.00 C ATOM 690 C GLN A 42 0.897 5.426 12.202 1.00 0.00 C ATOM 691 O GLN A 42 1.193 6.472 11.675 1.00 0.00 O ATOM 692 CB GLN A 42 2.969 4.203 12.846 1.00 0.00 C ATOM 693 CG GLN A 42 2.954 2.983 13.775 1.00 0.00 C ATOM 694 CD GLN A 42 1.859 3.159 14.826 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.821 3.734 14.568 1.00 0.00 O ATOM 696 NE2 GLN A 42 2.050 2.679 16.024 1.00 0.00 N ATOM 0 H GLN A 42 3.114 4.673 10.398 1.00 0.00 H new ATOM 0 HA GLN A 42 1.125 3.297 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.875 4.198 12.240 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.986 5.120 13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.777 2.075 13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.924 2.869 14.260 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.920 2.195 16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.330 2.788 16.738 1.00 0.00 H new ATOM 705 N CYS A 43 -0.141 5.312 12.997 1.00 0.00 N ATOM 706 CA CYS A 43 -0.951 6.532 13.248 1.00 0.00 C ATOM 707 C CYS A 43 -1.638 6.551 14.596 1.00 0.00 C ATOM 708 O CYS A 43 -1.864 5.534 15.220 1.00 0.00 O ATOM 709 CB CYS A 43 -2.033 6.619 12.161 1.00 0.00 C ATOM 710 SG CYS A 43 -1.494 6.535 10.435 1.00 0.00 S ATOM 0 H CYS A 43 -0.449 4.459 13.464 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.262 7.377 13.232 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.745 5.812 12.330 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.574 7.555 12.299 1.00 0.00 H new ATOM 715 N HIS A 44 -1.954 7.750 15.001 1.00 0.00 N ATOM 716 CA HIS A 44 -2.635 7.966 16.293 1.00 0.00 C ATOM 717 C HIS A 44 -3.376 9.287 16.224 1.00 0.00 C ATOM 718 O HIS A 44 -3.313 9.959 15.213 1.00 0.00 O ATOM 719 CB HIS A 44 -1.607 7.961 17.452 1.00 0.00 C ATOM 720 CG HIS A 44 -0.647 9.143 17.376 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.210 9.322 16.488 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.462 10.165 18.279 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.922 10.345 16.734 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.564 10.953 17.861 1.00 0.00 N ATOM 0 H HIS A 44 -1.762 8.602 14.474 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.344 7.161 16.485 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.136 7.986 18.405 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.039 7.031 17.427 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.041 10.317 19.178 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.728 10.683 16.099 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.955 11.788 18.296 1.00 0.00 H new ATOM 732 N SER A 45 -4.071 9.649 17.271 1.00 0.00 N ATOM 733 CA SER A 45 -4.811 10.948 17.217 1.00 0.00 C ATOM 734 C SER A 45 -4.741 11.748 18.509 1.00 0.00 C ATOM 735 O SER A 45 -5.199 11.313 19.547 1.00 0.00 O ATOM 736 CB SER A 45 -6.285 10.635 16.927 1.00 0.00 C ATOM 737 OG SER A 45 -6.392 10.745 15.516 1.00 0.00 O ATOM 0 H SER A 45 -4.159 9.120 18.139 1.00 0.00 H new ATOM 0 HA SER A 45 -4.344 11.556 16.442 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.555 9.636 17.270 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.948 11.337 17.433 1.00 0.00 H new ATOM 0 HG SER A 45 -5.525 10.544 15.106 1.00 0.00 H new ATOM 743 N VAL A 46 -4.158 12.918 18.399 1.00 0.00 N ATOM 744 CA VAL A 46 -4.024 13.810 19.573 1.00 0.00 C ATOM 745 C VAL A 46 -4.662 15.181 19.224 1.00 0.00 C ATOM 746 O VAL A 46 -4.310 15.764 18.218 1.00 0.00 O ATOM 747 CB VAL A 46 -2.530 14.040 19.842 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.369 14.732 21.193 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.808 12.700 19.876 1.00 0.00 C ATOM 0 H VAL A 46 -3.768 13.289 17.532 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.510 13.366 20.442 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.106 14.661 19.053 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.311 14.899 21.392 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.891 15.689 21.176 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.791 14.103 21.977 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.747 12.863 20.067 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.228 12.080 20.668 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.931 12.196 18.917 1.00 0.00 H new ATOM 759 N PRO A 47 -5.586 15.699 20.046 1.00 0.00 N ATOM 760 CA PRO A 47 -6.198 16.987 19.737 1.00 0.00 C ATOM 761 C PRO A 47 -5.145 18.078 19.616 1.00 0.00 C ATOM 762 O PRO A 47 -3.971 17.841 19.827 1.00 0.00 O ATOM 763 CB PRO A 47 -7.127 17.294 20.924 1.00 0.00 C ATOM 764 CG PRO A 47 -7.015 16.101 21.924 1.00 0.00 C ATOM 765 CD PRO A 47 -6.044 15.078 21.307 1.00 0.00 C ATOM 0 HA PRO A 47 -6.732 16.951 18.787 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.838 18.228 21.406 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.156 17.416 20.585 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.649 16.444 22.892 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.992 15.649 22.095 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.206 14.876 21.975 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.540 14.125 21.121 1.00 0.00 H new ATOM 773 N VAL A 48 -5.581 19.254 19.280 1.00 0.00 N ATOM 774 CA VAL A 48 -4.618 20.374 19.141 1.00 0.00 C ATOM 775 C VAL A 48 -4.206 20.906 20.508 1.00 0.00 C ATOM 776 O VAL A 48 -3.291 21.696 20.620 1.00 0.00 O ATOM 777 CB VAL A 48 -5.295 21.502 18.355 1.00 0.00 C ATOM 778 CG1 VAL A 48 -6.232 22.277 19.288 1.00 0.00 C ATOM 779 CG2 VAL A 48 -4.223 22.449 17.805 1.00 0.00 C ATOM 0 H VAL A 48 -6.557 19.488 19.096 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.728 20.016 18.623 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.869 21.082 17.529 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.716 23.081 18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.991 21.602 19.684 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.657 22.700 20.112 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.700 23.253 17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.652 22.872 18.632 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.553 21.897 17.146 1.00 0.00 H new ATOM 789 N LYS A 49 -4.892 20.461 21.526 1.00 0.00 N ATOM 790 CA LYS A 49 -4.557 20.928 22.894 1.00 0.00 C ATOM 791 C LYS A 49 -3.458 20.071 23.505 1.00 0.00 C ATOM 792 O LYS A 49 -3.693 19.331 24.440 1.00 0.00 O ATOM 793 CB LYS A 49 -5.815 20.808 23.766 1.00 0.00 C ATOM 794 CG LYS A 49 -5.596 21.572 25.073 1.00 0.00 C ATOM 795 CD LYS A 49 -6.704 21.199 26.059 1.00 0.00 C ATOM 796 CE LYS A 49 -7.210 22.467 26.748 1.00 0.00 C ATOM 797 NZ LYS A 49 -6.071 23.241 27.317 1.00 0.00 N ATOM 0 H LYS A 49 -5.665 19.798 21.467 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.209 21.960 22.843 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.679 21.210 23.236 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.029 19.760 23.975 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.620 21.328 25.493 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.603 22.646 24.887 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.522 20.704 25.536 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.326 20.494 26.800 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.755 23.083 26.033 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.910 22.203 27.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.387 23.748 28.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.300 22.590 27.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.730 23.926 26.612 1.00 0.00 H new ATOM 811 N SER A 50 -2.276 20.185 22.969 1.00 0.00 N ATOM 812 CA SER A 50 -1.154 19.382 23.510 1.00 0.00 C ATOM 813 C SER A 50 -0.900 19.723 24.973 1.00 0.00 C ATOM 814 O SER A 50 -1.255 18.889 25.792 1.00 0.00 O ATOM 815 CB SER A 50 0.109 19.708 22.700 1.00 0.00 C ATOM 816 OG SER A 50 1.160 19.104 23.439 1.00 0.00 O ATOM 817 OXT SER A 50 -0.368 20.797 25.195 1.00 0.00 O ATOM 0 H SER A 50 -2.042 20.795 22.186 1.00 0.00 H new ATOM 0 HA SER A 50 -1.405 18.324 23.437 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.049 19.304 21.689 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.255 20.784 22.606 1.00 0.00 H new ATOM 0 HG SER A 50 2.013 19.265 22.985 1.00 0.00 H new TER 823 SER A 50