USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 LEU N :NH3+ -178:sc= 0 (180deg=-0.00489) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 6 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-4.8!) USER MOD Single : A 11 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.09) USER MOD Single : A 12 THR OG1 : rot 110:sc= 1.29 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.038) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -120:sc= -0.528 USER MOD Single : A 26 SER OG : rot 79:sc= 0.554 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 35 ASN : amide:sc= -3! C(o=-3!,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.713 3.869 3.040 1.00 24.21 N ATOM 2 CA LEU A 1 7.123 4.098 3.338 1.00 11.35 C ATOM 3 C LEU A 1 8.017 3.319 2.379 1.00 35.21 C ATOM 4 O LEU A 1 8.962 3.866 1.811 1.00 25.55 O ATOM 5 CB LEU A 1 7.431 3.696 4.782 1.00 61.43 C ATOM 6 CG LEU A 1 7.324 4.807 5.826 1.00 1.21 C ATOM 7 CD1 LEU A 1 6.030 4.677 6.614 1.00 72.30 C ATOM 8 CD2 LEU A 1 8.525 4.778 6.761 1.00 53.44 C ATOM 0 H1 LEU A 1 5.125 4.436 3.684 1.00 24.21 H new ATOM 0 H2 LEU A 1 5.516 4.147 2.057 1.00 24.21 H new ATOM 0 H3 LEU A 1 5.491 2.861 3.166 1.00 24.21 H new ATOM 0 HA LEU A 1 7.327 5.161 3.212 1.00 11.35 H new ATOM 0 HB2 LEU A 1 6.753 2.891 5.066 1.00 61.43 H new ATOM 0 HB3 LEU A 1 8.441 3.289 4.817 1.00 61.43 H new ATOM 0 HG LEU A 1 7.315 5.766 5.308 1.00 1.21 H new ATOM 0 HD11 LEU A 1 5.972 5.477 7.352 1.00 72.30 H new ATOM 0 HD12 LEU A 1 5.181 4.748 5.934 1.00 72.30 H new ATOM 0 HD13 LEU A 1 6.008 3.712 7.121 1.00 72.30 H new ATOM 0 HD21 LEU A 1 8.432 5.576 7.498 1.00 53.44 H new ATOM 0 HD22 LEU A 1 8.566 3.816 7.271 1.00 53.44 H new ATOM 0 HD23 LEU A 1 9.439 4.922 6.184 1.00 53.44 H new ATOM 20 N LYS A 2 7.709 2.039 2.201 1.00 63.54 N ATOM 21 CA LYS A 2 8.481 1.183 1.307 1.00 4.23 C ATOM 22 C LYS A 2 7.844 1.126 -0.077 1.00 73.02 C ATOM 23 O LYS A 2 6.994 0.277 -0.344 1.00 31.13 O ATOM 24 CB LYS A 2 8.592 -0.228 1.888 1.00 31.33 C ATOM 25 CG LYS A 2 9.622 -1.096 1.186 1.00 2.05 C ATOM 26 CD LYS A 2 8.971 -2.271 0.477 1.00 61.31 C ATOM 27 CE LYS A 2 8.433 -3.292 1.468 1.00 53.12 C ATOM 28 NZ LYS A 2 7.074 -3.770 1.089 1.00 42.22 N ATOM 0 H LYS A 2 6.930 1.571 2.664 1.00 63.54 H new ATOM 0 HA LYS A 2 9.480 1.609 1.210 1.00 4.23 H new ATOM 0 HB2 LYS A 2 8.849 -0.157 2.945 1.00 31.33 H new ATOM 0 HB3 LYS A 2 7.618 -0.714 1.828 1.00 31.33 H new ATOM 0 HG2 LYS A 2 10.174 -0.495 0.464 1.00 2.05 H new ATOM 0 HG3 LYS A 2 10.345 -1.464 1.914 1.00 2.05 H new ATOM 0 HD2 LYS A 2 8.158 -1.912 -0.154 1.00 61.31 H new ATOM 0 HD3 LYS A 2 9.698 -2.748 -0.180 1.00 61.31 H new ATOM 0 HE2 LYS A 2 9.115 -4.141 1.521 1.00 53.12 H new ATOM 0 HE3 LYS A 2 8.398 -2.849 2.463 1.00 53.12 H new ATOM 0 HZ1 LYS A 2 6.742 -4.464 1.789 1.00 42.22 H new ATOM 0 HZ2 LYS A 2 6.417 -2.964 1.063 1.00 42.22 H new ATOM 0 HZ3 LYS A 2 7.112 -4.216 0.150 1.00 42.22 H new ATOM 42 N GLU A 3 8.261 2.034 -0.954 1.00 72.00 N ATOM 43 CA GLU A 3 7.730 2.085 -2.311 1.00 74.11 C ATOM 44 C GLU A 3 8.465 3.130 -3.144 1.00 41.54 C ATOM 45 O GLU A 3 9.428 3.742 -2.683 1.00 72.11 O ATOM 46 CB GLU A 3 6.232 2.399 -2.285 1.00 62.40 C ATOM 47 CG GLU A 3 5.376 1.334 -2.950 1.00 14.15 C ATOM 48 CD GLU A 3 4.006 1.851 -3.347 1.00 24.15 C ATOM 49 OE1 GLU A 3 3.935 2.953 -3.930 1.00 64.35 O ATOM 50 OE2 GLU A 3 3.007 1.155 -3.073 1.00 74.44 O ATOM 0 H GLU A 3 8.964 2.744 -0.749 1.00 72.00 H new ATOM 0 HA GLU A 3 7.881 1.108 -2.770 1.00 74.11 H new ATOM 0 HB2 GLU A 3 5.912 2.517 -1.250 1.00 62.40 H new ATOM 0 HB3 GLU A 3 6.061 3.354 -2.782 1.00 62.40 H new ATOM 0 HG2 GLU A 3 5.890 0.961 -3.836 1.00 14.15 H new ATOM 0 HG3 GLU A 3 5.259 0.490 -2.270 1.00 14.15 H new ATOM 57 N ASN A 4 8.004 3.329 -4.375 1.00 12.31 N ATOM 58 CA ASN A 4 8.618 4.300 -5.274 1.00 30.32 C ATOM 59 C ASN A 4 7.581 5.288 -5.798 1.00 12.54 C ATOM 60 O ASN A 4 6.414 4.941 -5.982 1.00 22.24 O ATOM 61 CB ASN A 4 9.294 3.584 -6.445 1.00 41.42 C ATOM 62 CG ASN A 4 10.658 4.164 -6.767 1.00 52.34 C ATOM 63 OD1 ASN A 4 10.835 5.382 -6.801 1.00 14.24 O ATOM 64 ND2 ASN A 4 11.630 3.292 -7.007 1.00 51.01 N ATOM 0 H ASN A 4 7.208 2.831 -4.773 1.00 12.31 H new ATOM 0 HA ASN A 4 9.370 4.854 -4.712 1.00 30.32 H new ATOM 0 HB2 ASN A 4 9.399 2.525 -6.208 1.00 41.42 H new ATOM 0 HB3 ASN A 4 8.656 3.652 -7.326 1.00 41.42 H new ATOM 0 HD21 ASN A 4 12.569 3.623 -7.230 1.00 51.01 H new ATOM 0 HD22 ASN A 4 11.438 2.291 -6.968 1.00 51.01 H new ATOM 71 N ASP A 5 8.014 6.521 -6.036 1.00 4.20 N ATOM 72 CA ASP A 5 7.125 7.561 -6.540 1.00 75.43 C ATOM 73 C ASP A 5 6.155 8.020 -5.455 1.00 62.44 C ATOM 74 O ASP A 5 6.247 9.144 -4.961 1.00 70.23 O ATOM 75 CB ASP A 5 6.346 7.051 -7.754 1.00 64.34 C ATOM 76 CG ASP A 5 7.190 6.168 -8.653 1.00 74.04 C ATOM 77 OD1 ASP A 5 6.664 5.148 -9.146 1.00 32.43 O ATOM 78 OD2 ASP A 5 8.375 6.498 -8.865 1.00 70.13 O ATOM 0 H ASP A 5 8.976 6.825 -5.888 1.00 4.20 H new ATOM 0 HA ASP A 5 7.736 8.412 -6.840 1.00 75.43 H new ATOM 0 HB2 ASP A 5 5.474 6.491 -7.414 1.00 64.34 H new ATOM 0 HB3 ASP A 5 5.976 7.901 -8.328 1.00 64.34 H new ATOM 83 N HIS A 6 5.226 7.142 -5.090 1.00 13.42 N ATOM 84 CA HIS A 6 4.238 7.458 -4.063 1.00 65.14 C ATOM 85 C HIS A 6 4.913 7.694 -2.715 1.00 73.43 C ATOM 86 O HIS A 6 4.381 8.401 -1.860 1.00 22.21 O ATOM 87 CB HIS A 6 3.216 6.327 -3.945 1.00 1.23 C ATOM 88 CG HIS A 6 2.003 6.698 -3.149 1.00 32.14 C ATOM 89 ND1 HIS A 6 1.161 5.765 -2.581 1.00 24.25 N ATOM 90 CD2 HIS A 6 1.492 7.909 -2.825 1.00 41.14 C ATOM 91 CE1 HIS A 6 0.185 6.386 -1.944 1.00 34.11 C ATOM 92 NE2 HIS A 6 0.362 7.688 -2.077 1.00 23.12 N ATOM 0 H HIS A 6 5.136 6.208 -5.489 1.00 13.42 H new ATOM 0 HA HIS A 6 3.723 8.373 -4.356 1.00 65.14 H new ATOM 0 HB2 HIS A 6 2.906 6.023 -4.945 1.00 1.23 H new ATOM 0 HB3 HIS A 6 3.694 5.463 -3.483 1.00 1.23 H new ATOM 0 HD2 HIS A 6 1.898 8.870 -3.103 1.00 41.14 H new ATOM 0 HE1 HIS A 6 -0.621 5.910 -1.406 1.00 34.11 H new ATOM 0 HE2 HIS A 6 -0.242 8.412 -1.687 1.00 23.12 H new ATOM 100 N ALA A 7 6.086 7.096 -2.533 1.00 74.21 N ATOM 101 CA ALA A 7 6.833 7.242 -1.290 1.00 74.20 C ATOM 102 C ALA A 7 7.319 8.675 -1.107 1.00 44.32 C ATOM 103 O ALA A 7 7.203 9.247 -0.023 1.00 70.11 O ATOM 104 CB ALA A 7 8.008 6.276 -1.264 1.00 31.11 C ATOM 0 H ALA A 7 6.539 6.506 -3.231 1.00 74.21 H new ATOM 0 HA ALA A 7 6.164 7.005 -0.463 1.00 74.20 H new ATOM 0 HB1 ALA A 7 8.557 6.396 -0.330 1.00 31.11 H new ATOM 0 HB2 ALA A 7 7.640 5.253 -1.340 1.00 31.11 H new ATOM 0 HB3 ALA A 7 8.670 6.486 -2.104 1.00 31.11 H new ATOM 110 N ARG A 8 7.866 9.250 -2.174 1.00 15.43 N ATOM 111 CA ARG A 8 8.372 10.617 -2.130 1.00 32.13 C ATOM 112 C ARG A 8 7.224 11.622 -2.139 1.00 42.51 C ATOM 113 O ARG A 8 7.378 12.760 -1.693 1.00 33.31 O ATOM 114 CB ARG A 8 9.302 10.877 -3.316 1.00 51.20 C ATOM 115 CG ARG A 8 8.604 10.807 -4.664 1.00 55.52 C ATOM 116 CD ARG A 8 9.403 11.521 -5.743 1.00 51.03 C ATOM 117 NE ARG A 8 8.748 11.449 -7.047 1.00 5.31 N ATOM 118 CZ ARG A 8 9.362 11.722 -8.193 1.00 53.51 C ATOM 119 NH1 ARG A 8 10.638 12.083 -8.197 1.00 14.24 N ATOM 120 NH2 ARG A 8 8.699 11.635 -9.339 1.00 73.51 N ATOM 0 H ARG A 8 7.970 8.791 -3.079 1.00 15.43 H new ATOM 0 HA ARG A 8 8.933 10.741 -1.204 1.00 32.13 H new ATOM 0 HB2 ARG A 8 9.756 11.862 -3.202 1.00 51.20 H new ATOM 0 HB3 ARG A 8 10.113 10.148 -3.298 1.00 51.20 H new ATOM 0 HG2 ARG A 8 8.460 9.764 -4.947 1.00 55.52 H new ATOM 0 HG3 ARG A 8 7.614 11.256 -4.586 1.00 55.52 H new ATOM 0 HD2 ARG A 8 9.538 12.566 -5.462 1.00 51.03 H new ATOM 0 HD3 ARG A 8 10.397 11.078 -5.811 1.00 51.03 H new ATOM 0 HE ARG A 8 7.766 11.174 -7.079 1.00 5.31 H new ATOM 0 HH11 ARG A 8 11.151 12.152 -7.318 1.00 14.24 H new ATOM 0 HH12 ARG A 8 11.106 12.292 -9.079 1.00 14.24 H new ATOM 0 HH21 ARG A 8 7.717 11.358 -9.340 1.00 73.51 H new ATOM 0 HH22 ARG A 8 9.171 11.845 -10.219 1.00 73.51 H new ATOM 134 N PHE A 9 6.075 11.196 -2.651 1.00 35.41 N ATOM 135 CA PHE A 9 4.901 12.059 -2.720 1.00 62.20 C ATOM 136 C PHE A 9 4.186 12.113 -1.373 1.00 74.34 C ATOM 137 O PHE A 9 3.834 13.188 -0.887 1.00 54.20 O ATOM 138 CB PHE A 9 3.940 11.562 -3.802 1.00 14.42 C ATOM 139 CG PHE A 9 4.330 11.983 -5.190 1.00 24.32 C ATOM 140 CD1 PHE A 9 4.582 13.314 -5.480 1.00 21.12 C ATOM 141 CD2 PHE A 9 4.445 11.046 -6.205 1.00 3.42 C ATOM 142 CE1 PHE A 9 4.942 13.704 -6.756 1.00 42.10 C ATOM 143 CE2 PHE A 9 4.805 11.431 -7.483 1.00 25.43 C ATOM 144 CZ PHE A 9 5.053 12.761 -7.759 1.00 0.11 C ATOM 0 H PHE A 9 5.931 10.258 -3.025 1.00 35.41 H new ATOM 0 HA PHE A 9 5.234 13.065 -2.975 1.00 62.20 H new ATOM 0 HB2 PHE A 9 3.891 10.474 -3.761 1.00 14.42 H new ATOM 0 HB3 PHE A 9 2.939 11.934 -3.586 1.00 14.42 H new ATOM 0 HD1 PHE A 9 4.496 14.056 -4.700 1.00 21.12 H new ATOM 0 HD2 PHE A 9 4.251 10.004 -5.995 1.00 3.42 H new ATOM 0 HE1 PHE A 9 5.136 14.745 -6.969 1.00 42.10 H new ATOM 0 HE2 PHE A 9 4.892 10.692 -8.265 1.00 25.43 H new ATOM 0 HZ PHE A 9 5.333 13.063 -8.757 1.00 0.11 H new ATOM 154 N LEU A 10 3.973 10.945 -0.776 1.00 50.23 N ATOM 155 CA LEU A 10 3.299 10.858 0.514 1.00 33.44 C ATOM 156 C LEU A 10 4.192 11.386 1.632 1.00 31.23 C ATOM 157 O LEU A 10 3.749 12.163 2.478 1.00 63.22 O ATOM 158 CB LEU A 10 2.899 9.410 0.806 1.00 3.11 C ATOM 159 CG LEU A 10 1.500 9.204 1.386 1.00 74.11 C ATOM 160 CD1 LEU A 10 0.973 7.822 1.031 1.00 51.12 C ATOM 161 CD2 LEU A 10 1.513 9.400 2.895 1.00 62.21 C ATOM 0 H LEU A 10 4.257 10.046 -1.165 1.00 50.23 H new ATOM 0 HA LEU A 10 2.401 11.475 0.469 1.00 33.44 H new ATOM 0 HB2 LEU A 10 2.974 8.840 -0.120 1.00 3.11 H new ATOM 0 HB3 LEU A 10 3.624 8.987 1.501 1.00 3.11 H new ATOM 0 HG LEU A 10 0.834 9.948 0.949 1.00 74.11 H new ATOM 0 HD11 LEU A 10 -0.024 7.693 1.452 1.00 51.12 H new ATOM 0 HD12 LEU A 10 0.925 7.718 -0.053 1.00 51.12 H new ATOM 0 HD13 LEU A 10 1.640 7.062 1.439 1.00 51.12 H new ATOM 0 HD21 LEU A 10 0.508 9.249 3.290 1.00 62.21 H new ATOM 0 HD22 LEU A 10 2.193 8.680 3.350 1.00 62.21 H new ATOM 0 HD23 LEU A 10 1.847 10.411 3.128 1.00 62.21 H new ATOM 173 N GLN A 11 5.451 10.960 1.628 1.00 40.22 N ATOM 174 CA GLN A 11 6.406 11.392 2.641 1.00 5.11 C ATOM 175 C GLN A 11 6.501 12.914 2.687 1.00 34.43 C ATOM 176 O GLN A 11 6.435 13.519 3.758 1.00 65.31 O ATOM 177 CB GLN A 11 7.785 10.792 2.361 1.00 44.33 C ATOM 178 CG GLN A 11 8.828 11.149 3.407 1.00 4.24 C ATOM 179 CD GLN A 11 8.451 10.669 4.795 1.00 71.01 C ATOM 180 OE1 GLN A 11 8.162 9.489 4.999 1.00 2.50 O ATOM 181 NE2 GLN A 11 8.451 11.583 5.758 1.00 21.23 N ATOM 0 H GLN A 11 5.833 10.317 0.935 1.00 40.22 H new ATOM 0 HA GLN A 11 6.053 11.039 3.610 1.00 5.11 H new ATOM 0 HB2 GLN A 11 7.695 9.707 2.305 1.00 44.33 H new ATOM 0 HB3 GLN A 11 8.129 11.134 1.385 1.00 44.33 H new ATOM 0 HG2 GLN A 11 9.786 10.712 3.123 1.00 4.24 H new ATOM 0 HG3 GLN A 11 8.964 12.230 3.425 1.00 4.24 H new ATOM 0 HE21 GLN A 11 8.697 12.549 5.544 1.00 21.23 H new ATOM 0 HE22 GLN A 11 8.205 11.319 6.712 1.00 21.23 H new ATOM 190 N THR A 12 6.655 13.528 1.518 1.00 33.13 N ATOM 191 CA THR A 12 6.759 14.979 1.425 1.00 24.42 C ATOM 192 C THR A 12 5.533 15.658 2.023 1.00 33.10 C ATOM 193 O THR A 12 5.653 16.557 2.855 1.00 71.13 O ATOM 194 CB THR A 12 6.925 15.437 -0.036 1.00 2.21 C ATOM 195 OG1 THR A 12 8.170 14.962 -0.560 1.00 72.44 O ATOM 196 CG2 THR A 12 6.873 16.954 -0.136 1.00 44.30 C ATOM 0 H THR A 12 6.710 13.043 0.622 1.00 33.13 H new ATOM 0 HA THR A 12 7.643 15.270 1.992 1.00 24.42 H new ATOM 0 HB THR A 12 6.104 15.021 -0.620 1.00 2.21 H new ATOM 0 HG1 THR A 12 7.999 14.268 -1.230 1.00 72.44 H new ATOM 0 HG21 THR A 12 6.992 17.254 -1.177 1.00 44.30 H new ATOM 0 HG22 THR A 12 5.913 17.310 0.237 1.00 44.30 H new ATOM 0 HG23 THR A 12 7.677 17.386 0.461 1.00 44.30 H new ATOM 204 N ALA A 13 4.353 15.222 1.594 1.00 33.24 N ATOM 205 CA ALA A 13 3.104 15.786 2.090 1.00 54.41 C ATOM 206 C ALA A 13 3.072 15.795 3.614 1.00 34.15 C ATOM 207 O ALA A 13 2.688 16.788 4.232 1.00 15.05 O ATOM 208 CB ALA A 13 1.918 15.008 1.540 1.00 54.35 C ATOM 0 H ALA A 13 4.236 14.480 0.904 1.00 33.24 H new ATOM 0 HA ALA A 13 3.039 16.818 1.745 1.00 54.41 H new ATOM 0 HB1 ALA A 13 0.992 15.440 1.919 1.00 54.35 H new ATOM 0 HB2 ALA A 13 1.923 15.058 0.451 1.00 54.35 H new ATOM 0 HB3 ALA A 13 1.988 13.967 1.855 1.00 54.35 H new ATOM 214 N LYS A 14 3.477 14.682 4.216 1.00 31.33 N ATOM 215 CA LYS A 14 3.496 14.560 5.669 1.00 15.11 C ATOM 216 C LYS A 14 4.592 15.431 6.274 1.00 62.20 C ATOM 217 O LYS A 14 4.363 16.147 7.247 1.00 14.32 O ATOM 218 CB LYS A 14 3.706 13.100 6.077 1.00 51.14 C ATOM 219 CG LYS A 14 2.411 12.327 6.260 1.00 43.05 C ATOM 220 CD LYS A 14 2.242 11.854 7.694 1.00 51.24 C ATOM 221 CE LYS A 14 1.398 10.591 7.768 1.00 22.10 C ATOM 222 NZ LYS A 14 -0.005 10.884 8.173 1.00 25.22 N ATOM 0 H LYS A 14 3.797 13.850 3.719 1.00 31.33 H new ATOM 0 HA LYS A 14 2.533 14.902 6.049 1.00 15.11 H new ATOM 0 HB2 LYS A 14 4.312 12.603 5.319 1.00 51.14 H new ATOM 0 HB3 LYS A 14 4.272 13.070 7.008 1.00 51.14 H new ATOM 0 HG2 LYS A 14 1.567 12.958 5.982 1.00 43.05 H new ATOM 0 HG3 LYS A 14 2.401 11.468 5.589 1.00 43.05 H new ATOM 0 HD2 LYS A 14 3.221 11.665 8.134 1.00 51.24 H new ATOM 0 HD3 LYS A 14 1.774 12.641 8.285 1.00 51.24 H new ATOM 0 HE2 LYS A 14 1.400 10.096 6.797 1.00 22.10 H new ATOM 0 HE3 LYS A 14 1.844 9.897 8.480 1.00 22.10 H new ATOM 0 HZ1 LYS A 14 -0.547 9.998 8.212 1.00 25.22 H new ATOM 0 HZ2 LYS A 14 -0.009 11.334 9.111 1.00 25.22 H new ATOM 0 HZ3 LYS A 14 -0.440 11.526 7.480 1.00 25.22 H new ATOM 236 N ASN A 15 5.784 15.364 5.690 1.00 41.24 N ATOM 237 CA ASN A 15 6.916 16.148 6.171 1.00 22.40 C ATOM 238 C ASN A 15 6.579 17.636 6.190 1.00 64.55 C ATOM 239 O ASN A 15 7.180 18.409 6.937 1.00 73.34 O ATOM 240 CB ASN A 15 8.144 15.902 5.292 1.00 52.05 C ATOM 241 CG ASN A 15 9.310 16.797 5.663 1.00 11.45 C ATOM 242 OD1 ASN A 15 9.847 17.517 4.822 1.00 44.23 O ATOM 243 ND2 ASN A 15 9.707 16.756 6.930 1.00 12.11 N ATOM 0 H ASN A 15 5.991 14.775 4.883 1.00 41.24 H new ATOM 0 HA ASN A 15 7.138 15.832 7.190 1.00 22.40 H new ATOM 0 HB2 ASN A 15 8.448 14.859 5.381 1.00 52.05 H new ATOM 0 HB3 ASN A 15 7.879 16.069 4.248 1.00 52.05 H new ATOM 0 HD21 ASN A 15 10.486 17.337 7.239 1.00 12.11 H new ATOM 0 HD22 ASN A 15 9.232 16.144 7.594 1.00 12.11 H new ATOM 250 N ILE A 16 5.616 18.029 5.363 1.00 31.34 N ATOM 251 CA ILE A 16 5.198 19.423 5.286 1.00 3.13 C ATOM 252 C ILE A 16 4.374 19.819 6.507 1.00 24.50 C ATOM 253 O ILE A 16 4.683 20.797 7.188 1.00 32.04 O ATOM 254 CB ILE A 16 4.373 19.694 4.014 1.00 2.24 C ATOM 255 CG1 ILE A 16 5.237 19.492 2.767 1.00 14.14 C ATOM 256 CG2 ILE A 16 3.799 21.103 4.045 1.00 25.15 C ATOM 257 CD1 ILE A 16 4.469 18.948 1.583 1.00 63.40 C ATOM 0 H ILE A 16 5.111 17.402 4.737 1.00 31.34 H new ATOM 0 HA ILE A 16 6.107 20.023 5.254 1.00 3.13 H new ATOM 0 HB ILE A 16 3.545 18.986 3.978 1.00 2.24 H new ATOM 0 HG12 ILE A 16 5.690 20.444 2.490 1.00 14.14 H new ATOM 0 HG13 ILE A 16 6.052 18.809 3.006 1.00 14.14 H new ATOM 0 HG21 ILE A 16 3.219 21.279 3.139 1.00 25.15 H new ATOM 0 HG22 ILE A 16 3.154 21.214 4.917 1.00 25.15 H new ATOM 0 HG23 ILE A 16 4.613 21.826 4.101 1.00 25.15 H new ATOM 0 HD11 ILE A 16 5.144 18.830 0.735 1.00 63.40 H new ATOM 0 HD12 ILE A 16 4.039 17.981 1.842 1.00 63.40 H new ATOM 0 HD13 ILE A 16 3.671 19.641 1.318 1.00 63.40 H new ATOM 269 N THR A 17 3.324 19.050 6.780 1.00 65.11 N ATOM 270 CA THR A 17 2.456 19.319 7.919 1.00 71.21 C ATOM 271 C THR A 17 3.122 18.908 9.227 1.00 34.52 C ATOM 272 O THR A 17 2.708 19.334 10.305 1.00 62.12 O ATOM 273 CB THR A 17 1.111 18.580 7.786 1.00 13.33 C ATOM 274 OG1 THR A 17 0.860 18.262 6.413 1.00 61.31 O ATOM 275 CG2 THR A 17 -0.028 19.428 8.331 1.00 14.54 C ATOM 0 H THR A 17 3.055 18.236 6.227 1.00 65.11 H new ATOM 0 HA THR A 17 2.273 20.393 7.930 1.00 71.21 H new ATOM 0 HB THR A 17 1.169 17.660 8.367 1.00 13.33 H new ATOM 0 HG1 THR A 17 0.004 17.791 6.338 1.00 61.31 H new ATOM 0 HG21 THR A 17 -0.968 18.886 8.226 1.00 14.54 H new ATOM 0 HG22 THR A 17 0.151 19.644 9.384 1.00 14.54 H new ATOM 0 HG23 THR A 17 -0.085 20.363 7.773 1.00 14.54 H new ATOM 283 N GLU A 18 4.155 18.077 9.125 1.00 53.23 N ATOM 284 CA GLU A 18 4.877 17.609 10.302 1.00 61.13 C ATOM 285 C GLU A 18 5.918 18.633 10.744 1.00 11.25 C ATOM 286 O GLU A 18 6.245 18.730 11.927 1.00 14.25 O ATOM 287 CB GLU A 18 5.556 16.269 10.011 1.00 31.31 C ATOM 288 CG GLU A 18 4.595 15.092 9.989 1.00 60.11 C ATOM 289 CD GLU A 18 4.530 14.367 11.319 1.00 61.51 C ATOM 290 OE1 GLU A 18 3.510 14.513 12.025 1.00 42.13 O ATOM 291 OE2 GLU A 18 5.498 13.653 11.654 1.00 5.12 O ATOM 0 H GLU A 18 4.510 17.715 8.240 1.00 53.23 H new ATOM 0 HA GLU A 18 4.157 17.476 11.110 1.00 61.13 H new ATOM 0 HB2 GLU A 18 6.064 16.330 9.049 1.00 31.31 H new ATOM 0 HB3 GLU A 18 6.322 16.088 10.765 1.00 31.31 H new ATOM 0 HG2 GLU A 18 3.599 15.446 9.723 1.00 60.11 H new ATOM 0 HG3 GLU A 18 4.902 14.392 9.212 1.00 60.11 H new ATOM 298 N ARG A 19 6.435 19.395 9.786 1.00 62.31 N ATOM 299 CA ARG A 19 7.440 20.410 10.076 1.00 41.41 C ATOM 300 C ARG A 19 6.790 21.677 10.625 1.00 22.14 C ATOM 301 O ARG A 19 7.366 22.369 11.465 1.00 23.31 O ATOM 302 CB ARG A 19 8.240 20.741 8.815 1.00 65.03 C ATOM 303 CG ARG A 19 9.132 21.963 8.962 1.00 12.30 C ATOM 304 CD ARG A 19 9.979 22.188 7.719 1.00 20.04 C ATOM 305 NE ARG A 19 11.404 22.022 7.991 1.00 23.23 N ATOM 306 CZ ARG A 19 12.349 22.155 7.067 1.00 21.51 C ATOM 307 NH1 ARG A 19 12.022 22.454 5.818 1.00 54.22 N ATOM 308 NH2 ARG A 19 13.625 21.988 7.392 1.00 32.00 N ATOM 0 H ARG A 19 6.174 19.329 8.802 1.00 62.31 H new ATOM 0 HA ARG A 19 8.115 20.011 10.833 1.00 41.41 H new ATOM 0 HB2 ARG A 19 8.856 19.882 8.550 1.00 65.03 H new ATOM 0 HB3 ARG A 19 7.548 20.904 7.989 1.00 65.03 H new ATOM 0 HG2 ARG A 19 8.517 22.843 9.149 1.00 12.30 H new ATOM 0 HG3 ARG A 19 9.782 21.838 9.828 1.00 12.30 H new ATOM 0 HD2 ARG A 19 9.674 21.488 6.941 1.00 20.04 H new ATOM 0 HD3 ARG A 19 9.798 23.191 7.334 1.00 20.04 H new ATOM 0 HE ARG A 19 11.689 21.791 8.943 1.00 23.23 H new ATOM 0 HH11 ARG A 19 11.043 22.583 5.564 1.00 54.22 H new ATOM 0 HH12 ARG A 19 12.750 22.556 5.111 1.00 54.22 H new ATOM 0 HH21 ARG A 19 13.881 21.757 8.352 1.00 32.00 H new ATOM 0 HH22 ARG A 19 14.350 22.090 6.682 1.00 32.00 H new ATOM 322 N VAL A 20 5.587 21.975 10.145 1.00 20.32 N ATOM 323 CA VAL A 20 4.858 23.157 10.588 1.00 3.23 C ATOM 324 C VAL A 20 4.373 22.997 12.025 1.00 51.44 C ATOM 325 O VAL A 20 4.388 23.949 12.805 1.00 13.13 O ATOM 326 CB VAL A 20 3.649 23.445 9.678 1.00 3.15 C ATOM 327 CG1 VAL A 20 2.702 22.255 9.656 1.00 1.24 C ATOM 328 CG2 VAL A 20 2.927 24.704 10.135 1.00 30.43 C ATOM 0 H VAL A 20 5.096 21.414 9.449 1.00 20.32 H new ATOM 0 HA VAL A 20 5.552 23.996 10.533 1.00 3.23 H new ATOM 0 HB VAL A 20 4.011 23.609 8.663 1.00 3.15 H new ATOM 0 HG11 VAL A 20 1.854 22.477 9.008 1.00 1.24 H new ATOM 0 HG12 VAL A 20 3.228 21.378 9.278 1.00 1.24 H new ATOM 0 HG13 VAL A 20 2.344 22.056 10.666 1.00 1.24 H new ATOM 0 HG21 VAL A 20 2.076 24.893 9.481 1.00 30.43 H new ATOM 0 HG22 VAL A 20 2.576 24.571 11.158 1.00 30.43 H new ATOM 0 HG23 VAL A 20 3.611 25.551 10.093 1.00 30.43 H new ATOM 338 N SER A 21 3.943 21.787 12.367 1.00 2.11 N ATOM 339 CA SER A 21 3.450 21.503 13.709 1.00 33.45 C ATOM 340 C SER A 21 4.593 21.501 14.719 1.00 22.35 C ATOM 341 O SER A 21 4.440 21.967 15.848 1.00 74.10 O ATOM 342 CB SER A 21 2.729 20.153 13.735 1.00 10.45 C ATOM 343 OG SER A 21 1.414 20.268 13.221 1.00 73.23 O ATOM 0 H SER A 21 3.926 20.988 11.733 1.00 2.11 H new ATOM 0 HA SER A 21 2.746 22.289 13.985 1.00 33.45 H new ATOM 0 HB2 SER A 21 3.290 19.426 13.148 1.00 10.45 H new ATOM 0 HB3 SER A 21 2.692 19.777 14.757 1.00 10.45 H new ATOM 0 HG SER A 21 0.975 19.392 13.247 1.00 73.23 H new ATOM 349 N MET A 22 5.740 20.972 14.305 1.00 51.55 N ATOM 350 CA MET A 22 6.911 20.910 15.172 1.00 15.51 C ATOM 351 C MET A 22 7.298 22.302 15.663 1.00 74.10 C ATOM 352 O MET A 22 7.629 22.487 16.834 1.00 40.25 O ATOM 353 CB MET A 22 8.087 20.272 14.432 1.00 44.54 C ATOM 354 CG MET A 22 8.950 19.384 15.313 1.00 43.11 C ATOM 355 SD MET A 22 9.943 18.217 14.363 1.00 73.45 S ATOM 356 CE MET A 22 11.201 19.304 13.698 1.00 50.31 C ATOM 0 H MET A 22 5.883 20.580 13.374 1.00 51.55 H new ATOM 0 HA MET A 22 6.660 20.296 16.037 1.00 15.51 H new ATOM 0 HB2 MET A 22 7.704 19.682 13.599 1.00 44.54 H new ATOM 0 HB3 MET A 22 8.708 21.060 14.006 1.00 44.54 H new ATOM 0 HG2 MET A 22 9.609 20.008 15.917 1.00 43.11 H new ATOM 0 HG3 MET A 22 8.311 18.833 16.004 1.00 43.11 H new ATOM 0 HE1 MET A 22 11.894 18.727 13.085 1.00 50.31 H new ATOM 0 HE2 MET A 22 10.730 20.074 13.087 1.00 50.31 H new ATOM 0 HE3 MET A 22 11.746 19.774 14.517 1.00 50.31 H new ATOM 366 N ALA A 23 7.254 23.276 14.760 1.00 15.55 N ATOM 367 CA ALA A 23 7.598 24.651 15.103 1.00 60.22 C ATOM 368 C ALA A 23 6.600 25.236 16.096 1.00 30.34 C ATOM 369 O ALA A 23 6.982 25.739 17.154 1.00 71.34 O ATOM 370 CB ALA A 23 7.660 25.508 13.847 1.00 32.22 C ATOM 0 H ALA A 23 6.984 23.139 13.786 1.00 15.55 H new ATOM 0 HA ALA A 23 8.580 24.646 15.576 1.00 60.22 H new ATOM 0 HB1 ALA A 23 7.918 26.532 14.118 1.00 32.22 H new ATOM 0 HB2 ALA A 23 8.417 25.110 13.172 1.00 32.22 H new ATOM 0 HB3 ALA A 23 6.690 25.497 13.351 1.00 32.22 H new ATOM 376 N THR A 24 5.318 25.168 15.750 1.00 21.52 N ATOM 377 CA THR A 24 4.265 25.692 16.611 1.00 62.04 C ATOM 378 C THR A 24 4.357 25.102 18.013 1.00 13.44 C ATOM 379 O THR A 24 4.184 25.809 19.006 1.00 24.32 O ATOM 380 CB THR A 24 2.868 25.397 16.032 1.00 3.33 C ATOM 381 OG1 THR A 24 2.985 24.586 14.858 1.00 23.23 O ATOM 382 CG2 THR A 24 2.140 26.689 15.692 1.00 60.32 C ATOM 0 H THR A 24 4.984 24.755 14.879 1.00 21.52 H new ATOM 0 HA THR A 24 4.408 26.771 16.664 1.00 62.04 H new ATOM 0 HB THR A 24 2.292 24.861 16.786 1.00 3.33 H new ATOM 0 HG1 THR A 24 2.599 25.061 14.093 1.00 23.23 H new ATOM 0 HG21 THR A 24 1.156 26.456 15.285 1.00 60.32 H new ATOM 0 HG22 THR A 24 2.026 27.291 16.594 1.00 60.32 H new ATOM 0 HG23 THR A 24 2.715 27.247 14.953 1.00 60.32 H new ATOM 390 N ALA A 25 4.630 23.804 18.088 1.00 73.23 N ATOM 391 CA ALA A 25 4.747 23.120 19.370 1.00 51.13 C ATOM 392 C ALA A 25 5.943 23.638 20.161 1.00 50.31 C ATOM 393 O ALA A 25 5.855 23.849 21.371 1.00 50.15 O ATOM 394 CB ALA A 25 4.862 21.618 19.158 1.00 65.21 C ATOM 0 H ALA A 25 4.774 23.204 17.276 1.00 73.23 H new ATOM 0 HA ALA A 25 3.846 23.326 19.948 1.00 51.13 H new ATOM 0 HB1 ALA A 25 4.949 21.120 20.124 1.00 65.21 H new ATOM 0 HB2 ALA A 25 3.974 21.255 18.641 1.00 65.21 H new ATOM 0 HB3 ALA A 25 5.746 21.402 18.558 1.00 65.21 H new ATOM 400 N SER A 26 7.061 23.841 19.470 1.00 15.05 N ATOM 401 CA SER A 26 8.276 24.330 20.110 1.00 2.41 C ATOM 402 C SER A 26 8.067 25.734 20.672 1.00 65.44 C ATOM 403 O SER A 26 8.849 26.206 21.497 1.00 14.32 O ATOM 404 CB SER A 26 9.436 24.335 19.113 1.00 41.34 C ATOM 405 OG SER A 26 9.799 23.015 18.746 1.00 52.53 O ATOM 0 H SER A 26 7.150 23.674 18.468 1.00 15.05 H new ATOM 0 HA SER A 26 8.518 23.660 20.935 1.00 2.41 H new ATOM 0 HB2 SER A 26 9.153 24.898 18.224 1.00 41.34 H new ATOM 0 HB3 SER A 26 10.295 24.843 19.552 1.00 41.34 H new ATOM 0 HG SER A 26 9.167 22.675 18.079 1.00 52.53 H new ATOM 411 N SER A 27 7.008 26.394 20.217 1.00 15.41 N ATOM 412 CA SER A 27 6.697 27.745 20.670 1.00 12.12 C ATOM 413 C SER A 27 5.620 27.721 21.751 1.00 3.31 C ATOM 414 O SER A 27 5.417 28.706 22.461 1.00 45.02 O ATOM 415 CB SER A 27 6.235 28.607 19.494 1.00 70.15 C ATOM 416 OG SER A 27 5.916 29.921 19.918 1.00 34.30 O ATOM 0 H SER A 27 6.350 26.016 19.535 1.00 15.41 H new ATOM 0 HA SER A 27 7.604 28.177 21.094 1.00 12.12 H new ATOM 0 HB2 SER A 27 7.019 28.646 18.738 1.00 70.15 H new ATOM 0 HB3 SER A 27 5.363 28.151 19.026 1.00 70.15 H new ATOM 0 HG SER A 27 5.625 30.452 19.147 1.00 34.30 H new ATOM 422 N GLN A 28 4.934 26.589 21.869 1.00 51.31 N ATOM 423 CA GLN A 28 3.878 26.437 22.862 1.00 35.04 C ATOM 424 C GLN A 28 2.724 27.395 22.582 1.00 4.02 C ATOM 425 O GLN A 28 2.363 28.213 23.429 1.00 62.42 O ATOM 426 CB GLN A 28 4.430 26.683 24.267 1.00 24.43 C ATOM 427 CG GLN A 28 3.623 26.009 25.365 1.00 23.32 C ATOM 428 CD GLN A 28 2.948 27.004 26.288 1.00 51.22 C ATOM 429 OE1 GLN A 28 3.608 27.834 26.915 1.00 74.24 O ATOM 430 NE2 GLN A 28 1.625 26.927 26.376 1.00 42.10 N ATOM 0 H GLN A 28 5.091 25.764 21.290 1.00 51.31 H new ATOM 0 HA GLN A 28 3.502 25.416 22.800 1.00 35.04 H new ATOM 0 HB2 GLN A 28 5.459 26.325 24.312 1.00 24.43 H new ATOM 0 HB3 GLN A 28 4.457 27.756 24.455 1.00 24.43 H new ATOM 0 HG2 GLN A 28 2.866 25.368 24.913 1.00 23.32 H new ATOM 0 HG3 GLN A 28 4.279 25.364 25.950 1.00 23.32 H new ATOM 0 HE21 GLN A 28 1.118 26.224 25.839 1.00 42.10 H new ATOM 0 HE22 GLN A 28 1.116 27.571 26.981 1.00 42.10 H new ATOM 439 N VAL A 29 2.150 27.289 21.388 1.00 20.21 N ATOM 440 CA VAL A 29 1.037 28.145 20.996 1.00 0.23 C ATOM 441 C VAL A 29 -0.144 27.319 20.501 1.00 73.35 C ATOM 442 O VAL A 29 -0.996 27.814 19.761 1.00 11.03 O ATOM 443 CB VAL A 29 1.453 29.138 19.895 1.00 64.35 C ATOM 444 CG1 VAL A 29 1.586 28.426 18.557 1.00 55.13 C ATOM 445 CG2 VAL A 29 0.455 30.281 19.803 1.00 15.41 C ATOM 0 H VAL A 29 2.438 26.618 20.675 1.00 20.21 H new ATOM 0 HA VAL A 29 0.739 28.703 21.884 1.00 0.23 H new ATOM 0 HB VAL A 29 2.425 29.556 20.156 1.00 64.35 H new ATOM 0 HG11 VAL A 29 1.881 29.143 17.791 1.00 55.13 H new ATOM 0 HG12 VAL A 29 2.343 27.646 18.634 1.00 55.13 H new ATOM 0 HG13 VAL A 29 0.630 27.978 18.286 1.00 55.13 H new ATOM 0 HG21 VAL A 29 0.765 30.973 19.020 1.00 15.41 H new ATOM 0 HG22 VAL A 29 -0.532 29.884 19.566 1.00 15.41 H new ATOM 0 HG23 VAL A 29 0.415 30.807 20.757 1.00 15.41 H new ATOM 455 N LEU A 30 -0.190 26.057 20.912 1.00 32.42 N ATOM 456 CA LEU A 30 -1.268 25.160 20.511 1.00 73.45 C ATOM 457 C LEU A 30 -2.341 25.078 21.592 1.00 5.34 C ATOM 458 O LEU A 30 -2.751 23.988 21.992 1.00 11.54 O ATOM 459 CB LEU A 30 -0.715 23.764 20.219 1.00 21.41 C ATOM 460 CG LEU A 30 0.114 23.623 18.942 1.00 41.41 C ATOM 461 CD1 LEU A 30 1.519 24.166 19.155 1.00 32.31 C ATOM 462 CD2 LEU A 30 0.164 22.170 18.495 1.00 33.41 C ATOM 0 H LEU A 30 0.507 25.631 21.523 1.00 32.42 H new ATOM 0 HA LEU A 30 -1.722 25.562 19.605 1.00 73.45 H new ATOM 0 HB2 LEU A 30 -0.099 23.455 21.064 1.00 21.41 H new ATOM 0 HB3 LEU A 30 -1.552 23.068 20.163 1.00 21.41 H new ATOM 0 HG LEU A 30 -0.364 24.207 18.156 1.00 41.41 H new ATOM 0 HD11 LEU A 30 2.094 24.057 18.236 1.00 32.31 H new ATOM 0 HD12 LEU A 30 1.464 25.220 19.426 1.00 32.31 H new ATOM 0 HD13 LEU A 30 2.006 23.610 19.956 1.00 32.31 H new ATOM 0 HD21 LEU A 30 0.758 22.090 17.585 1.00 33.41 H new ATOM 0 HD22 LEU A 30 0.617 21.564 19.279 1.00 33.41 H new ATOM 0 HD23 LEU A 30 -0.848 21.814 18.300 1.00 33.41 H new ATOM 474 N ILE A 31 -2.791 26.238 22.060 1.00 60.42 N ATOM 475 CA ILE A 31 -3.818 26.297 23.093 1.00 41.14 C ATOM 476 C ILE A 31 -4.770 27.464 22.855 1.00 42.43 C ATOM 477 O ILE A 31 -4.417 28.470 22.238 1.00 61.33 O ATOM 478 CB ILE A 31 -3.198 26.433 24.496 1.00 61.32 C ATOM 479 CG1 ILE A 31 -2.243 27.627 24.542 1.00 12.52 C ATOM 480 CG2 ILE A 31 -2.472 25.152 24.880 1.00 44.20 C ATOM 481 CD1 ILE A 31 -2.678 28.712 25.503 1.00 75.13 C ATOM 0 H ILE A 31 -2.461 27.149 21.740 1.00 60.42 H new ATOM 0 HA ILE A 31 -4.374 25.361 23.040 1.00 41.14 H new ATOM 0 HB ILE A 31 -3.998 26.604 25.216 1.00 61.32 H new ATOM 0 HG12 ILE A 31 -1.251 27.277 24.826 1.00 12.52 H new ATOM 0 HG13 ILE A 31 -2.157 28.052 23.542 1.00 12.52 H new ATOM 0 HG21 ILE A 31 -2.039 25.263 25.874 1.00 44.20 H new ATOM 0 HG22 ILE A 31 -3.177 24.321 24.882 1.00 44.20 H new ATOM 0 HG23 ILE A 31 -1.679 24.953 24.159 1.00 44.20 H new ATOM 0 HD11 ILE A 31 -1.954 29.527 25.484 1.00 75.13 H new ATOM 0 HD12 ILE A 31 -3.657 29.089 25.207 1.00 75.13 H new ATOM 0 HD13 ILE A 31 -2.737 28.303 26.512 1.00 75.13 H new ATOM 493 N PRO A 32 -6.006 27.331 23.357 1.00 54.22 N ATOM 494 CA PRO A 32 -7.035 28.366 23.214 1.00 44.33 C ATOM 495 C PRO A 32 -6.726 29.608 24.043 1.00 40.44 C ATOM 496 O PRO A 32 -5.869 29.579 24.925 1.00 31.11 O ATOM 497 CB PRO A 32 -8.302 27.681 23.729 1.00 33.44 C ATOM 498 CG PRO A 32 -7.811 26.628 24.663 1.00 40.45 C ATOM 499 CD PRO A 32 -6.496 26.160 24.103 1.00 0.23 C ATOM 0 HA PRO A 32 -7.115 28.722 22.187 1.00 44.33 H new ATOM 0 HB2 PRO A 32 -8.955 28.389 24.239 1.00 33.44 H new ATOM 0 HB3 PRO A 32 -8.878 27.248 22.911 1.00 33.44 H new ATOM 0 HG2 PRO A 32 -7.687 27.026 25.670 1.00 40.45 H new ATOM 0 HG3 PRO A 32 -8.522 25.804 24.731 1.00 40.45 H new ATOM 0 HD2 PRO A 32 -5.804 25.869 24.893 1.00 0.23 H new ATOM 0 HD3 PRO A 32 -6.621 25.294 23.454 1.00 0.23 H new ATOM 507 N GLU A 33 -7.430 30.698 23.752 1.00 33.05 N ATOM 508 CA GLU A 33 -7.230 31.950 24.472 1.00 1.31 C ATOM 509 C GLU A 33 -8.172 33.033 23.953 1.00 62.21 C ATOM 510 O GLU A 33 -9.108 33.439 24.642 1.00 23.34 O ATOM 511 CB GLU A 33 -5.778 32.415 24.338 1.00 72.31 C ATOM 512 CG GLU A 33 -5.004 32.378 25.645 1.00 52.31 C ATOM 513 CD GLU A 33 -5.066 33.694 26.396 1.00 31.14 C ATOM 514 OE1 GLU A 33 -4.029 34.386 26.467 1.00 64.42 O ATOM 515 OE2 GLU A 33 -6.151 34.032 26.914 1.00 30.41 O ATOM 0 H GLU A 33 -8.143 30.739 23.024 1.00 33.05 H new ATOM 0 HA GLU A 33 -7.452 31.773 25.524 1.00 1.31 H new ATOM 0 HB2 GLU A 33 -5.270 31.786 23.607 1.00 72.31 H new ATOM 0 HB3 GLU A 33 -5.766 33.432 23.947 1.00 72.31 H new ATOM 0 HG2 GLU A 33 -5.402 31.584 26.277 1.00 52.31 H new ATOM 0 HG3 GLU A 33 -3.963 32.130 25.440 1.00 52.31 H new ATOM 522 N ILE A 34 -7.917 33.496 22.734 1.00 65.21 N ATOM 523 CA ILE A 34 -8.741 34.530 22.122 1.00 12.40 C ATOM 524 C ILE A 34 -8.806 34.358 20.608 1.00 2.23 C ATOM 525 O ILE A 34 -9.833 33.957 20.062 1.00 25.34 O ATOM 526 CB ILE A 34 -8.209 35.939 22.445 1.00 63.01 C ATOM 527 CG1 ILE A 34 -8.164 36.156 23.959 1.00 42.32 C ATOM 528 CG2 ILE A 34 -9.074 36.998 21.778 1.00 64.13 C ATOM 529 CD1 ILE A 34 -7.633 37.515 24.359 1.00 43.14 C ATOM 0 H ILE A 34 -7.146 33.171 22.151 1.00 65.21 H new ATOM 0 HA ILE A 34 -9.742 34.424 22.540 1.00 12.40 H new ATOM 0 HB ILE A 34 -7.195 36.027 22.054 1.00 63.01 H new ATOM 0 HG12 ILE A 34 -9.168 36.033 24.366 1.00 42.32 H new ATOM 0 HG13 ILE A 34 -7.541 35.384 24.410 1.00 42.32 H new ATOM 0 HG21 ILE A 34 -8.685 37.988 22.016 1.00 64.13 H new ATOM 0 HG22 ILE A 34 -9.060 36.852 20.698 1.00 64.13 H new ATOM 0 HG23 ILE A 34 -10.098 36.913 22.142 1.00 64.13 H new ATOM 0 HD11 ILE A 34 -7.629 37.599 25.446 1.00 43.14 H new ATOM 0 HD12 ILE A 34 -6.617 37.634 23.983 1.00 43.14 H new ATOM 0 HD13 ILE A 34 -8.269 38.293 23.937 1.00 43.14 H new ATOM 541 N ASN A 35 -7.701 34.663 19.936 1.00 43.22 N ATOM 542 CA ASN A 35 -7.631 34.541 18.484 1.00 30.02 C ATOM 543 C ASN A 35 -6.473 33.638 18.069 1.00 10.43 C ATOM 544 O ASN A 35 -5.860 33.840 17.020 1.00 23.51 O ATOM 545 CB ASN A 35 -7.472 35.921 17.842 1.00 32.24 C ATOM 546 CG ASN A 35 -8.408 36.950 18.446 1.00 4.43 C ATOM 547 OD1 ASN A 35 -9.599 36.696 18.621 1.00 33.32 O ATOM 548 ND2 ASN A 35 -7.870 38.121 18.768 1.00 50.32 N ATOM 0 H ASN A 35 -6.842 34.996 20.373 1.00 43.22 H new ATOM 0 HA ASN A 35 -8.561 34.091 18.137 1.00 30.02 H new ATOM 0 HB2 ASN A 35 -6.442 36.257 17.960 1.00 32.24 H new ATOM 0 HB3 ASN A 35 -7.662 35.845 16.771 1.00 32.24 H new ATOM 0 HD21 ASN A 35 -8.450 38.853 19.178 1.00 50.32 H new ATOM 0 HD22 ASN A 35 -6.877 38.288 18.605 1.00 50.32 H new ATOM 555 N LEU A 36 -6.179 32.643 18.899 1.00 53.32 N ATOM 556 CA LEU A 36 -5.095 31.708 18.619 1.00 51.35 C ATOM 557 C LEU A 36 -5.573 30.575 17.717 1.00 71.14 C ATOM 558 O LEU A 36 -4.891 30.195 16.766 1.00 42.42 O ATOM 559 CB LEU A 36 -4.538 31.137 19.923 1.00 31.35 C ATOM 560 CG LEU A 36 -3.298 30.252 19.793 1.00 30.32 C ATOM 561 CD1 LEU A 36 -2.480 30.287 21.075 1.00 72.11 C ATOM 562 CD2 LEU A 36 -3.696 28.823 19.451 1.00 3.22 C ATOM 0 H LEU A 36 -6.676 32.463 19.771 1.00 53.32 H new ATOM 0 HA LEU A 36 -4.304 32.251 18.101 1.00 51.35 H new ATOM 0 HB2 LEU A 36 -4.299 31.968 20.587 1.00 31.35 H new ATOM 0 HB3 LEU A 36 -5.324 30.558 20.408 1.00 31.35 H new ATOM 0 HG LEU A 36 -2.682 30.640 18.982 1.00 30.32 H new ATOM 0 HD11 LEU A 36 -1.602 29.651 20.964 1.00 72.11 H new ATOM 0 HD12 LEU A 36 -2.164 31.310 21.277 1.00 72.11 H new ATOM 0 HD13 LEU A 36 -3.087 29.924 21.904 1.00 72.11 H new ATOM 0 HD21 LEU A 36 -2.801 28.207 19.362 1.00 3.22 H new ATOM 0 HD22 LEU A 36 -4.334 28.424 20.240 1.00 3.22 H new ATOM 0 HD23 LEU A 36 -4.239 28.813 18.506 1.00 3.22 H new ATOM 574 N ASN A 37 -6.751 30.040 18.021 1.00 71.10 N ATOM 575 CA ASN A 37 -7.321 28.951 17.237 1.00 75.34 C ATOM 576 C ASN A 37 -7.480 29.358 15.775 1.00 41.02 C ATOM 577 O ASN A 37 -7.580 28.508 14.890 1.00 24.31 O ATOM 578 CB ASN A 37 -8.677 28.536 17.812 1.00 71.22 C ATOM 579 CG ASN A 37 -9.148 27.198 17.275 1.00 24.45 C ATOM 580 OD1 ASN A 37 -10.024 27.135 16.413 1.00 42.41 O ATOM 581 ND2 ASN A 37 -8.566 26.118 17.786 1.00 50.32 N ATOM 0 H ASN A 37 -7.329 30.343 18.805 1.00 71.10 H new ATOM 0 HA ASN A 37 -6.637 28.104 17.288 1.00 75.34 H new ATOM 0 HB2 ASN A 37 -8.607 28.484 18.899 1.00 71.22 H new ATOM 0 HB3 ASN A 37 -9.418 29.300 17.576 1.00 71.22 H new ATOM 0 HD21 ASN A 37 -8.842 25.190 17.465 1.00 50.32 H new ATOM 0 HD22 ASN A 37 -7.844 26.217 18.499 1.00 50.32 H new ATOM 588 N ASP A 38 -7.502 30.663 15.529 1.00 4.33 N ATOM 589 CA ASP A 38 -7.646 31.184 14.175 1.00 50.32 C ATOM 590 C ASP A 38 -6.304 31.194 13.450 1.00 23.42 C ATOM 591 O ASP A 38 -6.176 30.658 12.348 1.00 13.53 O ATOM 592 CB ASP A 38 -8.231 32.597 14.209 1.00 73.14 C ATOM 593 CG ASP A 38 -8.061 33.326 12.890 1.00 32.31 C ATOM 594 OD1 ASP A 38 -6.975 33.899 12.664 1.00 24.25 O ATOM 595 OD2 ASP A 38 -9.014 33.322 12.084 1.00 53.25 O ATOM 0 H ASP A 38 -7.422 31.380 16.250 1.00 4.33 H new ATOM 0 HA ASP A 38 -8.327 30.529 13.631 1.00 50.32 H new ATOM 0 HB2 ASP A 38 -9.291 32.542 14.457 1.00 73.14 H new ATOM 0 HB3 ASP A 38 -7.748 33.168 15.002 1.00 73.14 H new ATOM 600 N THR A 39 -5.303 31.807 14.076 1.00 74.53 N ATOM 601 CA THR A 39 -3.971 31.888 13.490 1.00 33.01 C ATOM 602 C THR A 39 -3.423 30.501 13.177 1.00 62.35 C ATOM 603 O THR A 39 -2.915 30.256 12.082 1.00 25.12 O ATOM 604 CB THR A 39 -2.989 32.616 14.427 1.00 12.02 C ATOM 605 OG1 THR A 39 -3.713 33.350 15.421 1.00 72.00 O ATOM 606 CG2 THR A 39 -2.094 33.563 13.643 1.00 64.25 C ATOM 0 H THR A 39 -5.390 32.254 14.989 1.00 74.53 H new ATOM 0 HA THR A 39 -4.067 32.455 12.564 1.00 33.01 H new ATOM 0 HB THR A 39 -2.363 31.868 14.912 1.00 12.02 H new ATOM 0 HG1 THR A 39 -3.081 33.809 16.014 1.00 72.00 H new ATOM 0 HG21 THR A 39 -1.409 34.066 14.326 1.00 64.25 H new ATOM 0 HG22 THR A 39 -1.522 32.998 12.907 1.00 64.25 H new ATOM 0 HG23 THR A 39 -2.708 34.306 13.133 1.00 64.25 H new ATOM 614 N PHE A 40 -3.529 29.595 14.143 1.00 34.01 N ATOM 615 CA PHE A 40 -3.043 28.231 13.970 1.00 54.02 C ATOM 616 C PHE A 40 -3.757 27.543 12.810 1.00 33.42 C ATOM 617 O PHE A 40 -3.130 26.869 11.993 1.00 43.45 O ATOM 618 CB PHE A 40 -3.245 27.428 15.256 1.00 22.15 C ATOM 619 CG PHE A 40 -2.475 26.138 15.285 1.00 52.32 C ATOM 620 CD1 PHE A 40 -1.151 26.097 14.878 1.00 13.24 C ATOM 621 CD2 PHE A 40 -3.076 24.967 15.717 1.00 10.14 C ATOM 622 CE1 PHE A 40 -0.440 24.912 14.904 1.00 50.34 C ATOM 623 CE2 PHE A 40 -2.370 23.779 15.745 1.00 2.41 C ATOM 624 CZ PHE A 40 -1.051 23.752 15.337 1.00 64.34 C ATOM 0 H PHE A 40 -3.947 29.781 15.054 1.00 34.01 H new ATOM 0 HA PHE A 40 -1.978 28.277 13.743 1.00 54.02 H new ATOM 0 HB2 PHE A 40 -2.946 28.039 16.107 1.00 22.15 H new ATOM 0 HB3 PHE A 40 -4.306 27.211 15.376 1.00 22.15 H new ATOM 0 HD1 PHE A 40 -0.669 27.001 14.537 1.00 13.24 H new ATOM 0 HD2 PHE A 40 -4.108 24.982 16.036 1.00 10.14 H new ATOM 0 HE1 PHE A 40 0.592 24.893 14.586 1.00 50.34 H new ATOM 0 HE2 PHE A 40 -2.849 22.873 16.086 1.00 2.41 H new ATOM 0 HZ PHE A 40 -0.498 22.825 15.357 1.00 64.34 H new ATOM 634 N ASP A 41 -5.073 27.716 12.747 1.00 42.03 N ATOM 635 CA ASP A 41 -5.873 27.112 11.688 1.00 54.53 C ATOM 636 C ASP A 41 -5.384 27.561 10.314 1.00 31.31 C ATOM 637 O ASP A 41 -4.968 26.742 9.493 1.00 3.33 O ATOM 638 CB ASP A 41 -7.348 27.479 11.862 1.00 31.11 C ATOM 639 CG ASP A 41 -8.200 26.285 12.246 1.00 3.05 C ATOM 640 OD1 ASP A 41 -8.500 25.459 11.359 1.00 42.34 O ATOM 641 OD2 ASP A 41 -8.566 26.176 13.435 1.00 25.13 O ATOM 0 H ASP A 41 -5.608 28.269 13.416 1.00 42.03 H new ATOM 0 HA ASP A 41 -5.765 26.030 11.757 1.00 54.53 H new ATOM 0 HB2 ASP A 41 -7.440 28.249 12.628 1.00 31.11 H new ATOM 0 HB3 ASP A 41 -7.725 27.907 10.933 1.00 31.11 H new ATOM 646 N THR A 42 -5.438 28.866 10.069 1.00 11.31 N ATOM 647 CA THR A 42 -5.003 29.423 8.795 1.00 41.44 C ATOM 648 C THR A 42 -3.555 29.050 8.497 1.00 12.10 C ATOM 649 O THR A 42 -3.127 29.054 7.343 1.00 75.55 O ATOM 650 CB THR A 42 -5.140 30.958 8.776 1.00 23.42 C ATOM 651 OG1 THR A 42 -5.458 31.405 7.454 1.00 51.13 O ATOM 652 CG2 THR A 42 -3.854 31.621 9.246 1.00 40.22 C ATOM 0 H THR A 42 -5.779 29.557 10.737 1.00 11.31 H new ATOM 0 HA THR A 42 -5.650 28.998 8.028 1.00 41.44 H new ATOM 0 HB THR A 42 -5.944 31.238 9.456 1.00 23.42 H new ATOM 0 HG1 THR A 42 -5.545 32.381 7.451 1.00 51.13 H new ATOM 0 HG21 THR A 42 -3.974 32.704 9.224 1.00 40.22 H new ATOM 0 HG22 THR A 42 -3.631 31.301 10.264 1.00 40.22 H new ATOM 0 HG23 THR A 42 -3.035 31.334 8.587 1.00 40.22 H new ATOM 660 N PHE A 43 -2.805 28.728 9.545 1.00 23.42 N ATOM 661 CA PHE A 43 -1.404 28.352 9.396 1.00 63.33 C ATOM 662 C PHE A 43 -1.277 26.936 8.840 1.00 43.43 C ATOM 663 O PHE A 43 -0.625 26.715 7.819 1.00 13.04 O ATOM 664 CB PHE A 43 -0.681 28.450 10.741 1.00 41.23 C ATOM 665 CG PHE A 43 0.814 28.361 10.626 1.00 41.43 C ATOM 666 CD1 PHE A 43 1.553 27.656 11.561 1.00 24.22 C ATOM 667 CD2 PHE A 43 1.480 28.984 9.582 1.00 0.13 C ATOM 668 CE1 PHE A 43 2.929 27.572 11.458 1.00 22.22 C ATOM 669 CE2 PHE A 43 2.855 28.903 9.474 1.00 44.21 C ATOM 670 CZ PHE A 43 3.581 28.197 10.414 1.00 41.34 C ATOM 0 H PHE A 43 -3.144 28.720 10.507 1.00 23.42 H new ATOM 0 HA PHE A 43 -0.942 29.043 8.692 1.00 63.33 H new ATOM 0 HB2 PHE A 43 -0.945 29.394 11.218 1.00 41.23 H new ATOM 0 HB3 PHE A 43 -1.035 27.652 11.394 1.00 41.23 H new ATOM 0 HD1 PHE A 43 1.048 27.166 12.380 1.00 24.22 H new ATOM 0 HD2 PHE A 43 0.918 29.539 8.845 1.00 0.13 H new ATOM 0 HE1 PHE A 43 3.493 27.018 12.194 1.00 22.22 H new ATOM 0 HE2 PHE A 43 3.362 29.391 8.655 1.00 44.21 H new ATOM 0 HZ PHE A 43 4.656 28.134 10.332 1.00 41.34 H new ATOM 680 N ALA A 44 -1.904 25.982 9.519 1.00 23.32 N ATOM 681 CA ALA A 44 -1.863 24.588 9.094 1.00 44.35 C ATOM 682 C ALA A 44 -2.640 24.387 7.797 1.00 44.21 C ATOM 683 O ALA A 44 -2.154 23.749 6.862 1.00 25.23 O ATOM 684 CB ALA A 44 -2.414 23.686 10.187 1.00 35.21 C ATOM 0 H ALA A 44 -2.447 26.149 10.366 1.00 23.32 H new ATOM 0 HA ALA A 44 -0.823 24.321 8.909 1.00 44.35 H new ATOM 0 HB1 ALA A 44 -2.377 22.648 9.855 1.00 35.21 H new ATOM 0 HB2 ALA A 44 -1.814 23.800 11.090 1.00 35.21 H new ATOM 0 HB3 ALA A 44 -3.447 23.962 10.400 1.00 35.21 H new ATOM 690 N LEU A 45 -3.849 24.935 7.747 1.00 61.35 N ATOM 691 CA LEU A 45 -4.694 24.815 6.564 1.00 74.13 C ATOM 692 C LEU A 45 -3.908 25.139 5.297 1.00 13.34 C ATOM 693 O LEU A 45 -3.772 24.300 4.407 1.00 23.45 O ATOM 694 CB LEU A 45 -5.903 25.746 6.680 1.00 22.40 C ATOM 695 CG LEU A 45 -7.172 25.291 5.959 1.00 32.52 C ATOM 696 CD1 LEU A 45 -6.855 24.873 4.532 1.00 50.44 C ATOM 697 CD2 LEU A 45 -7.835 24.148 6.716 1.00 41.52 C ATOM 0 H LEU A 45 -4.266 25.466 8.511 1.00 61.35 H new ATOM 0 HA LEU A 45 -5.042 23.784 6.500 1.00 74.13 H new ATOM 0 HB2 LEU A 45 -6.136 25.876 7.737 1.00 22.40 H new ATOM 0 HB3 LEU A 45 -5.621 26.725 6.293 1.00 22.40 H new ATOM 0 HG LEU A 45 -7.867 26.130 5.924 1.00 32.52 H new ATOM 0 HD11 LEU A 45 -7.771 24.552 4.035 1.00 50.44 H new ATOM 0 HD12 LEU A 45 -6.426 25.717 3.992 1.00 50.44 H new ATOM 0 HD13 LEU A 45 -6.141 24.049 4.544 1.00 50.44 H new ATOM 0 HD21 LEU A 45 -8.737 23.837 6.188 1.00 41.52 H new ATOM 0 HD22 LEU A 45 -7.145 23.307 6.782 1.00 41.52 H new ATOM 0 HD23 LEU A 45 -8.099 24.481 7.720 1.00 41.52 H new ATOM 709 N ASP A 46 -3.392 26.361 5.225 1.00 50.14 N ATOM 710 CA ASP A 46 -2.616 26.796 4.069 1.00 72.32 C ATOM 711 C ASP A 46 -1.572 25.750 3.691 1.00 62.00 C ATOM 712 O ASP A 46 -1.443 25.379 2.524 1.00 51.51 O ATOM 713 CB ASP A 46 -1.935 28.134 4.359 1.00 25.32 C ATOM 714 CG ASP A 46 -2.020 29.093 3.188 1.00 1.15 C ATOM 715 OD1 ASP A 46 -1.188 28.977 2.264 1.00 73.23 O ATOM 716 OD2 ASP A 46 -2.919 29.960 3.196 1.00 22.34 O ATOM 0 H ASP A 46 -3.497 27.068 5.953 1.00 50.14 H new ATOM 0 HA ASP A 46 -3.300 26.921 3.229 1.00 72.32 H new ATOM 0 HB2 ASP A 46 -2.397 28.591 5.234 1.00 25.32 H new ATOM 0 HB3 ASP A 46 -0.888 27.959 4.606 1.00 25.32 H new ATOM 721 N PHE A 47 -0.827 25.279 4.686 1.00 72.54 N ATOM 722 CA PHE A 47 0.208 24.277 4.457 1.00 32.15 C ATOM 723 C PHE A 47 -0.376 23.032 3.796 1.00 35.03 C ATOM 724 O PHE A 47 0.116 22.575 2.765 1.00 55.04 O ATOM 725 CB PHE A 47 0.881 23.898 5.778 1.00 11.43 C ATOM 726 CG PHE A 47 2.272 24.447 5.921 1.00 12.01 C ATOM 727 CD1 PHE A 47 3.242 24.166 4.973 1.00 43.41 C ATOM 728 CD2 PHE A 47 2.609 25.243 7.004 1.00 30.00 C ATOM 729 CE1 PHE A 47 4.523 24.670 5.101 1.00 21.00 C ATOM 730 CE2 PHE A 47 3.888 25.750 7.137 1.00 31.32 C ATOM 731 CZ PHE A 47 4.846 25.462 6.185 1.00 24.23 C ATOM 0 H PHE A 47 -0.921 25.575 5.658 1.00 72.54 H new ATOM 0 HA PHE A 47 0.953 24.707 3.787 1.00 32.15 H new ATOM 0 HB2 PHE A 47 0.270 24.259 6.605 1.00 11.43 H new ATOM 0 HB3 PHE A 47 0.918 22.812 5.859 1.00 11.43 H new ATOM 0 HD1 PHE A 47 2.995 23.546 4.124 1.00 43.41 H new ATOM 0 HD2 PHE A 47 1.864 25.470 7.752 1.00 30.00 H new ATOM 0 HE1 PHE A 47 5.270 24.445 4.354 1.00 21.00 H new ATOM 0 HE2 PHE A 47 4.138 26.371 7.985 1.00 31.32 H new ATOM 0 HZ PHE A 47 5.846 25.856 6.288 1.00 24.23 H new ATOM 741 N SER A 48 -1.429 22.488 4.399 1.00 61.12 N ATOM 742 CA SER A 48 -2.078 21.293 3.872 1.00 54.30 C ATOM 743 C SER A 48 -2.436 21.474 2.400 1.00 54.00 C ATOM 744 O SER A 48 -2.201 20.587 1.579 1.00 5.31 O ATOM 745 CB SER A 48 -3.338 20.974 4.679 1.00 20.24 C ATOM 746 OG SER A 48 -3.937 19.769 4.235 1.00 61.14 O ATOM 0 H SER A 48 -1.850 22.856 5.252 1.00 61.12 H new ATOM 0 HA SER A 48 -1.379 20.461 3.959 1.00 54.30 H new ATOM 0 HB2 SER A 48 -3.085 20.890 5.736 1.00 20.24 H new ATOM 0 HB3 SER A 48 -4.050 21.794 4.586 1.00 20.24 H new ATOM 0 HG SER A 48 -4.739 19.587 4.768 1.00 61.14 H new ATOM 752 N ARG A 49 -3.008 22.629 2.074 1.00 65.11 N ATOM 753 CA ARG A 49 -3.400 22.927 0.702 1.00 62.33 C ATOM 754 C ARG A 49 -2.279 22.577 -0.272 1.00 65.24 C ATOM 755 O ARG A 49 -2.524 22.016 -1.340 1.00 22.24 O ATOM 756 CB ARG A 49 -3.767 24.405 0.563 1.00 12.22 C ATOM 757 CG ARG A 49 -4.643 24.705 -0.642 1.00 74.32 C ATOM 758 CD ARG A 49 -3.854 25.386 -1.749 1.00 11.41 C ATOM 759 NE ARG A 49 -4.726 25.937 -2.784 1.00 24.53 N ATOM 760 CZ ARG A 49 -4.292 26.334 -3.975 1.00 11.13 C ATOM 761 NH1 ARG A 49 -3.005 26.243 -4.280 1.00 31.42 N ATOM 762 NH2 ARG A 49 -5.147 26.824 -4.864 1.00 2.04 N ATOM 0 H ARG A 49 -3.210 23.373 2.742 1.00 65.11 H new ATOM 0 HA ARG A 49 -4.272 22.319 0.460 1.00 62.33 H new ATOM 0 HB2 ARG A 49 -4.284 24.729 1.467 1.00 12.22 H new ATOM 0 HB3 ARG A 49 -2.852 24.993 0.491 1.00 12.22 H new ATOM 0 HG2 ARG A 49 -5.075 23.778 -1.019 1.00 74.32 H new ATOM 0 HG3 ARG A 49 -5.473 25.343 -0.340 1.00 74.32 H new ATOM 0 HD2 ARG A 49 -3.247 26.185 -1.323 1.00 11.41 H new ATOM 0 HD3 ARG A 49 -3.167 24.669 -2.198 1.00 11.41 H new ATOM 0 HE ARG A 49 -5.722 26.021 -2.581 1.00 24.53 H new ATOM 0 HH11 ARG A 49 -2.345 25.867 -3.599 1.00 31.42 H new ATOM 0 HH12 ARG A 49 -2.675 26.549 -5.195 1.00 31.42 H new ATOM 0 HH21 ARG A 49 -6.138 26.896 -4.633 1.00 2.04 H new ATOM 0 HH22 ARG A 49 -4.813 27.129 -5.778 1.00 2.04 H new ATOM 776 N GLU A 50 -1.049 22.913 0.104 1.00 45.04 N ATOM 777 CA GLU A 50 0.109 22.635 -0.738 1.00 5.31 C ATOM 778 C GLU A 50 0.532 21.174 -0.616 1.00 44.15 C ATOM 779 O GLU A 50 1.068 20.590 -1.559 1.00 12.11 O ATOM 780 CB GLU A 50 1.276 23.549 -0.356 1.00 62.31 C ATOM 781 CG GLU A 50 2.088 24.029 -1.547 1.00 41.11 C ATOM 782 CD GLU A 50 3.576 23.791 -1.373 1.00 74.04 C ATOM 783 OE1 GLU A 50 4.065 23.907 -0.230 1.00 73.31 O ATOM 784 OE2 GLU A 50 4.250 23.489 -2.380 1.00 2.41 O ATOM 0 H GLU A 50 -0.829 23.378 0.985 1.00 45.04 H new ATOM 0 HA GLU A 50 -0.171 22.829 -1.773 1.00 5.31 H new ATOM 0 HB2 GLU A 50 0.888 24.415 0.181 1.00 62.31 H new ATOM 0 HB3 GLU A 50 1.934 23.016 0.331 1.00 62.31 H new ATOM 0 HG2 GLU A 50 1.745 23.517 -2.446 1.00 41.11 H new ATOM 0 HG3 GLU A 50 1.909 25.094 -1.698 1.00 41.11 H new ATOM 791 N LYS A 51 0.289 20.589 0.551 1.00 33.03 N ATOM 792 CA LYS A 51 0.642 19.196 0.798 1.00 5.24 C ATOM 793 C LYS A 51 -0.082 18.270 -0.173 1.00 50.23 C ATOM 794 O LYS A 51 0.415 17.195 -0.511 1.00 1.52 O ATOM 795 CB LYS A 51 0.301 18.810 2.239 1.00 35.41 C ATOM 796 CG LYS A 51 -1.047 18.122 2.381 1.00 45.40 C ATOM 797 CD LYS A 51 -0.918 16.613 2.261 1.00 1.14 C ATOM 798 CE LYS A 51 -2.250 15.966 1.913 1.00 4.01 C ATOM 799 NZ LYS A 51 -2.160 14.480 1.910 1.00 71.40 N ATOM 0 H LYS A 51 -0.152 21.058 1.342 1.00 33.03 H new ATOM 0 HA LYS A 51 1.715 19.087 0.643 1.00 5.24 H new ATOM 0 HB2 LYS A 51 1.079 18.150 2.623 1.00 35.41 H new ATOM 0 HB3 LYS A 51 0.309 19.707 2.858 1.00 35.41 H new ATOM 0 HG2 LYS A 51 -1.486 18.375 3.346 1.00 45.40 H new ATOM 0 HG3 LYS A 51 -1.728 18.492 1.615 1.00 45.40 H new ATOM 0 HD2 LYS A 51 -0.183 16.369 1.494 1.00 1.14 H new ATOM 0 HD3 LYS A 51 -0.547 16.203 3.200 1.00 1.14 H new ATOM 0 HE2 LYS A 51 -3.006 16.283 2.631 1.00 4.01 H new ATOM 0 HE3 LYS A 51 -2.577 16.312 0.932 1.00 4.01 H new ATOM 0 HZ1 LYS A 51 -3.088 14.077 1.668 1.00 71.40 H new ATOM 0 HZ2 LYS A 51 -1.457 14.176 1.207 1.00 71.40 H new ATOM 0 HZ3 LYS A 51 -1.873 14.148 2.853 1.00 71.40 H new ATOM 813 N LYS A 52 -1.259 18.694 -0.621 1.00 61.03 N ATOM 814 CA LYS A 52 -2.051 17.905 -1.557 1.00 34.33 C ATOM 815 C LYS A 52 -1.584 18.130 -2.991 1.00 65.30 C ATOM 816 O LYS A 52 -1.270 17.179 -3.709 1.00 4.12 O ATOM 817 CB LYS A 52 -3.534 18.263 -1.430 1.00 42.44 C ATOM 818 CG LYS A 52 -4.414 17.587 -2.467 1.00 63.03 C ATOM 819 CD LYS A 52 -4.503 16.089 -2.231 1.00 20.30 C ATOM 820 CE LYS A 52 -5.582 15.452 -3.093 1.00 71.31 C ATOM 821 NZ LYS A 52 -6.081 14.177 -2.506 1.00 43.20 N ATOM 0 H LYS A 52 -1.686 19.580 -0.351 1.00 61.03 H new ATOM 0 HA LYS A 52 -1.915 16.852 -1.311 1.00 34.33 H new ATOM 0 HB2 LYS A 52 -3.882 17.986 -0.435 1.00 42.44 H new ATOM 0 HB3 LYS A 52 -3.647 19.343 -1.518 1.00 42.44 H new ATOM 0 HG2 LYS A 52 -5.413 18.021 -2.436 1.00 63.03 H new ATOM 0 HG3 LYS A 52 -4.015 17.776 -3.463 1.00 63.03 H new ATOM 0 HD2 LYS A 52 -3.540 15.627 -2.451 1.00 20.30 H new ATOM 0 HD3 LYS A 52 -4.716 15.897 -1.179 1.00 20.30 H new ATOM 0 HE2 LYS A 52 -6.413 16.148 -3.208 1.00 71.31 H new ATOM 0 HE3 LYS A 52 -5.185 15.262 -4.090 1.00 71.31 H new ATOM 0 HZ1 LYS A 52 -6.815 13.774 -3.123 1.00 43.20 H new ATOM 0 HZ2 LYS A 52 -5.294 13.503 -2.419 1.00 43.20 H new ATOM 0 HZ3 LYS A 52 -6.483 14.362 -1.565 1.00 43.20 H new ATOM 835 N LEU A 53 -1.538 19.392 -3.402 1.00 62.03 N ATOM 836 CA LEU A 53 -1.106 19.742 -4.751 1.00 72.02 C ATOM 837 C LEU A 53 0.245 19.111 -5.072 1.00 32.43 C ATOM 838 O LEU A 53 0.556 18.840 -6.232 1.00 43.54 O ATOM 839 CB LEU A 53 -1.020 21.262 -4.902 1.00 74.22 C ATOM 840 CG LEU A 53 -0.751 21.782 -6.315 1.00 21.23 C ATOM 841 CD1 LEU A 53 -1.852 21.340 -7.265 1.00 74.35 C ATOM 842 CD2 LEU A 53 -0.625 23.298 -6.310 1.00 0.33 C ATOM 0 H LEU A 53 -1.794 20.190 -2.821 1.00 62.03 H new ATOM 0 HA LEU A 53 -1.843 19.354 -5.454 1.00 72.02 H new ATOM 0 HB2 LEU A 53 -1.956 21.696 -4.549 1.00 74.22 H new ATOM 0 HB3 LEU A 53 -0.231 21.628 -4.245 1.00 74.22 H new ATOM 0 HG LEU A 53 0.192 21.360 -6.663 1.00 21.23 H new ATOM 0 HD11 LEU A 53 -1.643 21.719 -8.265 1.00 74.35 H new ATOM 0 HD12 LEU A 53 -1.894 20.251 -7.291 1.00 74.35 H new ATOM 0 HD13 LEU A 53 -2.809 21.732 -6.921 1.00 74.35 H new ATOM 0 HD21 LEU A 53 -0.434 23.651 -7.324 1.00 0.33 H new ATOM 0 HD22 LEU A 53 -1.551 23.739 -5.941 1.00 0.33 H new ATOM 0 HD23 LEU A 53 0.200 23.592 -5.662 1.00 0.33 H new ATOM 854 N LEU A 54 1.043 18.876 -4.036 1.00 32.21 N ATOM 855 CA LEU A 54 2.360 18.273 -4.206 1.00 44.44 C ATOM 856 C LEU A 54 2.243 16.780 -4.492 1.00 65.31 C ATOM 857 O LEU A 54 2.709 16.298 -5.524 1.00 73.33 O ATOM 858 CB LEU A 54 3.212 18.500 -2.956 1.00 60.10 C ATOM 859 CG LEU A 54 4.616 17.896 -2.982 1.00 24.41 C ATOM 860 CD1 LEU A 54 4.577 16.435 -2.559 1.00 50.24 C ATOM 861 CD2 LEU A 54 5.232 18.036 -4.367 1.00 31.34 C ATOM 0 H LEU A 54 0.801 19.094 -3.069 1.00 32.21 H new ATOM 0 HA LEU A 54 2.843 18.750 -5.059 1.00 44.44 H new ATOM 0 HB2 LEU A 54 3.303 19.574 -2.793 1.00 60.10 H new ATOM 0 HB3 LEU A 54 2.678 18.092 -2.098 1.00 60.10 H new ATOM 0 HG LEU A 54 5.238 18.442 -2.273 1.00 24.41 H new ATOM 0 HD11 LEU A 54 5.585 16.022 -2.584 1.00 50.24 H new ATOM 0 HD12 LEU A 54 4.179 16.360 -1.547 1.00 50.24 H new ATOM 0 HD13 LEU A 54 3.939 15.875 -3.243 1.00 50.24 H new ATOM 0 HD21 LEU A 54 6.231 17.601 -4.366 1.00 31.34 H new ATOM 0 HD22 LEU A 54 4.610 17.516 -5.096 1.00 31.34 H new ATOM 0 HD23 LEU A 54 5.296 19.091 -4.632 1.00 31.34 H new ATOM 873 N GLU A 55 1.617 16.053 -3.571 1.00 42.44 N ATOM 874 CA GLU A 55 1.438 14.615 -3.726 1.00 62.42 C ATOM 875 C GLU A 55 0.729 14.293 -5.038 1.00 61.45 C ATOM 876 O GLU A 55 1.145 13.400 -5.778 1.00 71.12 O ATOM 877 CB GLU A 55 0.640 14.048 -2.550 1.00 51.11 C ATOM 878 CG GLU A 55 0.701 12.533 -2.446 1.00 40.52 C ATOM 879 CD GLU A 55 -0.533 11.943 -1.791 1.00 43.42 C ATOM 880 OE1 GLU A 55 -1.611 11.978 -2.420 1.00 15.44 O ATOM 881 OE2 GLU A 55 -0.420 11.447 -0.651 1.00 1.10 O ATOM 0 H GLU A 55 1.226 16.437 -2.711 1.00 42.44 H new ATOM 0 HA GLU A 55 2.425 14.152 -3.743 1.00 62.42 H new ATOM 0 HB2 GLU A 55 1.016 14.483 -1.624 1.00 51.11 H new ATOM 0 HB3 GLU A 55 -0.401 14.355 -2.647 1.00 51.11 H new ATOM 0 HG2 GLU A 55 0.817 12.108 -3.443 1.00 40.52 H new ATOM 0 HG3 GLU A 55 1.583 12.247 -1.874 1.00 40.52 H new ATOM 888 N CYS A 56 -0.343 15.025 -5.320 1.00 21.22 N ATOM 889 CA CYS A 56 -1.112 14.817 -6.542 1.00 5.01 C ATOM 890 C CYS A 56 -1.289 16.127 -7.302 1.00 44.32 C ATOM 891 O CYS A 56 -1.999 17.027 -6.853 1.00 15.33 O ATOM 892 CB CYS A 56 -2.479 14.215 -6.213 1.00 44.32 C ATOM 893 SG CYS A 56 -3.038 12.965 -7.394 1.00 0.22 S ATOM 0 H CYS A 56 -0.700 15.768 -4.719 1.00 21.22 H new ATOM 0 HA CYS A 56 -0.561 14.122 -7.175 1.00 5.01 H new ATOM 0 HB2 CYS A 56 -2.438 13.768 -5.220 1.00 44.32 H new ATOM 0 HB3 CYS A 56 -3.217 15.016 -6.172 1.00 44.32 H new ATOM 0 HG CYS A 56 -4.201 12.514 -7.030 1.00 0.22 H new ATOM 899 N LEU A 57 -0.637 16.229 -8.455 1.00 63.11 N ATOM 900 CA LEU A 57 -0.720 17.430 -9.278 1.00 54.42 C ATOM 901 C LEU A 57 -2.164 17.714 -9.682 1.00 44.31 C ATOM 902 O LEU A 57 -2.967 16.795 -9.838 1.00 34.12 O ATOM 903 CB LEU A 57 0.150 17.279 -10.527 1.00 23.12 C ATOM 904 CG LEU A 57 -0.084 16.018 -11.360 1.00 15.32 C ATOM 905 CD1 LEU A 57 -0.061 16.347 -12.844 1.00 42.43 C ATOM 906 CD2 LEU A 57 0.957 14.959 -11.030 1.00 2.33 C ATOM 0 H LEU A 57 -0.045 15.494 -8.841 1.00 63.11 H new ATOM 0 HA LEU A 57 -0.354 18.270 -8.688 1.00 54.42 H new ATOM 0 HB2 LEU A 57 -0.012 18.147 -11.166 1.00 23.12 H new ATOM 0 HB3 LEU A 57 1.196 17.299 -10.221 1.00 23.12 H new ATOM 0 HG LEU A 57 -1.068 15.620 -11.112 1.00 15.32 H new ATOM 0 HD11 LEU A 57 -0.229 15.438 -13.421 1.00 42.43 H new ATOM 0 HD12 LEU A 57 -0.846 17.070 -13.069 1.00 42.43 H new ATOM 0 HD13 LEU A 57 0.908 16.770 -13.108 1.00 42.43 H new ATOM 0 HD21 LEU A 57 0.774 14.069 -11.632 1.00 2.33 H new ATOM 0 HD22 LEU A 57 1.952 15.347 -11.248 1.00 2.33 H new ATOM 0 HD23 LEU A 57 0.891 14.701 -9.973 1.00 2.33 H new ATOM 918 N ASP A 58 -2.484 18.992 -9.852 1.00 53.12 N ATOM 919 CA ASP A 58 -3.830 19.397 -10.242 1.00 0.44 C ATOM 920 C ASP A 58 -3.801 20.719 -11.003 1.00 4.24 C ATOM 921 O ASP A 58 -3.181 21.687 -10.562 1.00 2.44 O ATOM 922 CB ASP A 58 -4.724 19.525 -9.008 1.00 35.14 C ATOM 923 CG ASP A 58 -5.963 18.655 -9.098 1.00 0.22 C ATOM 924 OD1 ASP A 58 -5.816 17.416 -9.147 1.00 62.14 O ATOM 925 OD2 ASP A 58 -7.079 19.214 -9.118 1.00 34.21 O ATOM 0 H ASP A 58 -1.831 19.765 -9.726 1.00 53.12 H new ATOM 0 HA ASP A 58 -4.238 18.629 -10.899 1.00 0.44 H new ATOM 0 HB2 ASP A 58 -4.154 19.250 -8.120 1.00 35.14 H new ATOM 0 HB3 ASP A 58 -5.023 20.566 -8.886 1.00 35.14 H new ATOM 930 N TYR A 59 -4.473 20.752 -12.148 1.00 32.34 N ATOM 931 CA TYR A 59 -4.521 21.953 -12.972 1.00 13.41 C ATOM 932 C TYR A 59 -5.411 23.016 -12.334 1.00 42.33 C ATOM 933 O TYR A 59 -6.561 22.751 -11.982 1.00 71.15 O ATOM 934 CB TYR A 59 -5.035 21.616 -14.373 1.00 3.13 C ATOM 935 CG TYR A 59 -3.953 21.140 -15.316 1.00 0.12 C ATOM 936 CD1 TYR A 59 -3.688 21.819 -16.499 1.00 22.10 C ATOM 937 CD2 TYR A 59 -3.197 20.012 -15.025 1.00 21.54 C ATOM 938 CE1 TYR A 59 -2.701 21.387 -17.364 1.00 41.52 C ATOM 939 CE2 TYR A 59 -2.207 19.574 -15.883 1.00 71.21 C ATOM 940 CZ TYR A 59 -1.963 20.265 -17.052 1.00 30.24 C ATOM 941 OH TYR A 59 -0.979 19.831 -17.910 1.00 41.10 O ATOM 0 H TYR A 59 -4.992 19.960 -12.527 1.00 32.34 H new ATOM 0 HA TYR A 59 -3.509 22.350 -13.049 1.00 13.41 H new ATOM 0 HB2 TYR A 59 -5.802 20.845 -14.294 1.00 3.13 H new ATOM 0 HB3 TYR A 59 -5.513 22.499 -14.798 1.00 3.13 H new ATOM 0 HD1 TYR A 59 -4.263 22.699 -16.746 1.00 22.10 H new ATOM 0 HD2 TYR A 59 -3.386 19.468 -14.112 1.00 21.54 H new ATOM 0 HE1 TYR A 59 -2.509 21.926 -18.280 1.00 41.52 H new ATOM 0 HE2 TYR A 59 -1.627 18.696 -15.640 1.00 71.21 H new ATOM 0 HH TYR A 59 -0.554 19.029 -17.541 1.00 41.10 H new ATOM 951 N LEU A 60 -4.870 24.221 -12.189 1.00 33.01 N ATOM 952 CA LEU A 60 -5.614 25.326 -11.594 1.00 43.44 C ATOM 953 C LEU A 60 -6.710 25.814 -12.536 1.00 41.31 C ATOM 954 O LEU A 60 -7.890 25.810 -12.186 1.00 40.33 O ATOM 955 CB LEU A 60 -4.667 26.479 -11.255 1.00 12.14 C ATOM 956 CG LEU A 60 -3.818 27.013 -12.409 1.00 30.22 C ATOM 957 CD1 LEU A 60 -4.500 28.201 -13.068 1.00 51.51 C ATOM 958 CD2 LEU A 60 -2.430 27.397 -11.917 1.00 14.44 C ATOM 0 H LEU A 60 -3.920 24.458 -12.475 1.00 33.01 H new ATOM 0 HA LEU A 60 -6.082 24.966 -10.678 1.00 43.44 H new ATOM 0 HB2 LEU A 60 -5.258 27.302 -10.854 1.00 12.14 H new ATOM 0 HB3 LEU A 60 -3.998 26.151 -10.460 1.00 12.14 H new ATOM 0 HG LEU A 60 -3.712 26.223 -13.153 1.00 30.22 H new ATOM 0 HD11 LEU A 60 -3.881 28.568 -13.887 1.00 51.51 H new ATOM 0 HD12 LEU A 60 -5.471 27.894 -13.456 1.00 51.51 H new ATOM 0 HD13 LEU A 60 -4.638 28.995 -12.334 1.00 51.51 H new ATOM 0 HD21 LEU A 60 -1.840 27.775 -12.752 1.00 14.44 H new ATOM 0 HD22 LEU A 60 -2.516 28.170 -11.154 1.00 14.44 H new ATOM 0 HD23 LEU A 60 -1.939 26.521 -11.493 1.00 14.44 H new TER 970 LEU A 60