USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 578 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.0115 (180deg=-1.32) USER MOD Single : A 19 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=-0.31) USER MOD Single : A 30 SER OG : rot 180:sc= -1.37 USER MOD Single : A 31 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0355 X(o=-0.035,f=-0.28) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0635 X(o=-0.063,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.27) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.319 K(o=-0.32,f=-5.4!) USER MOD Single : A 71 THR OG1 : rot -66:sc= 0.477 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.902 0.842 -2.858 1.00 0.00 N ATOM 2 CA MET A 1 1.281 -0.161 -1.869 1.00 0.00 C ATOM 3 C MET A 1 1.169 -1.567 -2.450 1.00 0.00 C ATOM 4 O MET A 1 2.076 -2.385 -2.300 1.00 0.00 O ATOM 5 CB MET A 1 0.400 -0.039 -0.624 1.00 0.00 C ATOM 6 CG MET A 1 1.063 -0.555 0.643 1.00 0.00 C ATOM 7 SD MET A 1 2.162 0.661 1.395 1.00 0.00 S ATOM 8 CE MET A 1 1.057 1.431 2.575 1.00 0.00 C ATOM 0 H1 MET A 1 1.035 1.792 -2.457 1.00 0.00 H new ATOM 0 H2 MET A 1 1.497 0.737 -3.704 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.096 0.713 -3.119 1.00 0.00 H new ATOM 0 HA MET A 1 2.320 0.015 -1.589 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.129 1.007 -0.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.526 -0.589 -0.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.294 -0.838 1.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.629 -1.457 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.592 2.208 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.213 1.874 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.693 0.680 3.276 1.00 0.00 H new ATOM 18 N ASP A 2 0.051 -1.841 -3.113 1.00 0.00 N ATOM 19 CA ASP A 2 -0.179 -3.148 -3.717 1.00 0.00 C ATOM 20 C ASP A 2 0.392 -3.202 -5.130 1.00 0.00 C ATOM 21 O ASP A 2 -0.352 -3.290 -6.108 1.00 0.00 O ATOM 22 CB ASP A 2 -1.676 -3.464 -3.745 1.00 0.00 C ATOM 23 CG ASP A 2 -1.951 -4.952 -3.847 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.226 -5.736 -3.200 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.893 -5.331 -4.574 1.00 0.00 O ATOM 0 H ASP A 2 -0.710 -1.175 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 2 0.331 -3.896 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.144 -3.072 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.137 -2.953 -4.591 1.00 0.00 H new ATOM 30 N ARG A 3 1.716 -3.147 -5.230 1.00 0.00 N ATOM 31 CA ARG A 3 2.386 -3.187 -6.524 1.00 0.00 C ATOM 32 C ARG A 3 2.387 -4.603 -7.093 1.00 0.00 C ATOM 33 O ARG A 3 2.266 -5.580 -6.353 1.00 0.00 O ATOM 34 CB ARG A 3 3.823 -2.678 -6.394 1.00 0.00 C ATOM 35 CG ARG A 3 4.623 -3.382 -5.311 1.00 0.00 C ATOM 36 CD ARG A 3 6.118 -3.185 -5.506 1.00 0.00 C ATOM 37 NE ARG A 3 6.877 -3.530 -4.307 1.00 0.00 N ATOM 38 CZ ARG A 3 8.175 -3.289 -4.164 1.00 0.00 C ATOM 39 NH1 ARG A 3 8.856 -2.704 -5.139 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.795 -3.633 -3.042 1.00 0.00 N ATOM 0 H ARG A 3 2.346 -3.075 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 3 1.838 -2.539 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.332 -2.804 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.803 -1.609 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.329 -3.000 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.391 -4.447 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.459 -3.799 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.315 -2.147 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 3 6.383 -3.981 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.383 -2.437 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.853 -2.520 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.274 -4.083 -2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.792 -3.448 -2.933 1.00 0.00 H new ATOM 54 N ILE A 4 2.523 -4.706 -8.411 1.00 0.00 N ATOM 55 CA ILE A 4 2.540 -6.002 -9.078 1.00 0.00 C ATOM 56 C ILE A 4 3.577 -6.032 -10.195 1.00 0.00 C ATOM 57 O ILE A 4 3.399 -5.404 -11.239 1.00 0.00 O ATOM 58 CB ILE A 4 1.160 -6.351 -9.664 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.095 -6.332 -8.566 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.202 -7.711 -10.345 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.313 -6.522 -9.085 1.00 0.00 C ATOM 0 H ILE A 4 2.623 -3.908 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 4 2.803 -6.742 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 4 0.899 -5.601 -10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.316 -7.118 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.152 -5.383 -8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.219 -7.944 -10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.935 -7.692 -11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.482 -8.473 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.015 -6.497 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.554 -5.722 -9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.387 -7.484 -9.593 1.00 0.00 H new ATOM 73 N PHE A 5 4.661 -6.767 -9.969 1.00 0.00 N ATOM 74 CA PHE A 5 5.728 -6.880 -10.958 1.00 0.00 C ATOM 75 C PHE A 5 5.392 -7.943 -12.000 1.00 0.00 C ATOM 76 O PHE A 5 5.000 -9.058 -11.660 1.00 0.00 O ATOM 77 CB PHE A 5 7.053 -7.221 -10.273 1.00 0.00 C ATOM 78 CG PHE A 5 7.082 -8.600 -9.677 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.612 -8.824 -8.393 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.579 -9.671 -10.402 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.638 -10.092 -7.843 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.608 -10.941 -9.856 1.00 0.00 C ATOM 83 CZ PHE A 5 7.136 -11.152 -8.576 1.00 0.00 C ATOM 0 H PHE A 5 4.824 -7.293 -9.110 1.00 0.00 H new ATOM 0 HA PHE A 5 5.825 -5.919 -11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.862 -7.130 -10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.245 -6.490 -9.488 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.221 -7.999 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.948 -9.512 -11.405 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.269 -10.254 -6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.000 -11.767 -10.431 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.156 -12.144 -8.148 1.00 0.00 H new ATOM 93 N MET A 6 5.550 -7.587 -13.271 1.00 0.00 N ATOM 94 CA MET A 6 5.265 -8.510 -14.363 1.00 0.00 C ATOM 95 C MET A 6 6.106 -8.175 -15.591 1.00 0.00 C ATOM 96 O MET A 6 6.419 -7.011 -15.845 1.00 0.00 O ATOM 97 CB MET A 6 3.778 -8.466 -14.722 1.00 0.00 C ATOM 98 CG MET A 6 2.948 -9.518 -14.004 1.00 0.00 C ATOM 99 SD MET A 6 1.181 -9.334 -14.307 1.00 0.00 S ATOM 100 CE MET A 6 0.513 -10.530 -13.152 1.00 0.00 C ATOM 0 H MET A 6 5.874 -6.667 -13.569 1.00 0.00 H new ATOM 0 HA MET A 6 5.522 -9.516 -14.031 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.384 -7.478 -14.482 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.668 -8.601 -15.798 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.267 -10.509 -14.327 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.137 -9.455 -12.932 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.575 -10.534 -13.221 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.896 -11.522 -13.393 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.811 -10.263 -12.138 1.00 0.00 H new ATOM 110 N THR A 7 6.470 -9.203 -16.351 1.00 0.00 N ATOM 111 CA THR A 7 7.277 -9.018 -17.551 1.00 0.00 C ATOM 112 C THR A 7 6.403 -8.677 -18.753 1.00 0.00 C ATOM 113 O THR A 7 5.182 -8.572 -18.635 1.00 0.00 O ATOM 114 CB THR A 7 8.103 -10.278 -17.873 1.00 0.00 C ATOM 115 OG1 THR A 7 7.247 -11.310 -18.375 1.00 0.00 O ATOM 116 CG2 THR A 7 8.834 -10.776 -16.635 1.00 0.00 C ATOM 0 H THR A 7 6.219 -10.172 -16.157 1.00 0.00 H new ATOM 0 HA THR A 7 7.956 -8.189 -17.351 1.00 0.00 H new ATOM 0 HB THR A 7 8.841 -10.018 -18.632 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.780 -12.107 -18.579 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.411 -11.666 -16.886 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.506 -9.999 -16.272 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.109 -11.020 -15.858 1.00 0.00 H new ATOM 124 N ARG A 8 7.036 -8.506 -19.909 1.00 0.00 N ATOM 125 CA ARG A 8 6.316 -8.176 -21.133 1.00 0.00 C ATOM 126 C ARG A 8 5.184 -9.168 -21.382 1.00 0.00 C ATOM 127 O ARG A 8 4.013 -8.790 -21.443 1.00 0.00 O ATOM 128 CB ARG A 8 7.273 -8.167 -22.327 1.00 0.00 C ATOM 129 CG ARG A 8 7.107 -6.957 -23.232 1.00 0.00 C ATOM 130 CD ARG A 8 6.322 -7.304 -24.487 1.00 0.00 C ATOM 131 NE ARG A 8 7.108 -8.107 -25.419 1.00 0.00 N ATOM 132 CZ ARG A 8 6.590 -8.722 -26.477 1.00 0.00 C ATOM 133 NH1 ARG A 8 5.293 -8.625 -26.735 1.00 0.00 N ATOM 134 NH2 ARG A 8 7.370 -9.435 -27.279 1.00 0.00 N ATOM 0 H ARG A 8 8.046 -8.591 -20.024 1.00 0.00 H new ATOM 0 HA ARG A 8 5.885 -7.182 -21.014 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.299 -8.197 -21.960 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.117 -9.073 -22.913 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.595 -6.163 -22.689 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.088 -6.572 -23.510 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.419 -7.849 -24.211 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.002 -6.386 -24.980 1.00 0.00 H new ATOM 0 HE ARG A 8 8.109 -8.201 -25.249 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.690 -8.077 -26.121 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.898 -9.098 -27.548 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.368 -9.512 -27.084 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.971 -9.907 -28.091 1.00 0.00 H new ATOM 148 N THR A 9 5.541 -10.441 -21.527 1.00 0.00 N ATOM 149 CA THR A 9 4.556 -11.487 -21.772 1.00 0.00 C ATOM 150 C THR A 9 3.501 -11.518 -20.672 1.00 0.00 C ATOM 151 O THR A 9 2.381 -11.979 -20.887 1.00 0.00 O ATOM 152 CB THR A 9 5.222 -12.873 -21.867 1.00 0.00 C ATOM 153 OG1 THR A 9 6.474 -12.769 -22.553 1.00 0.00 O ATOM 154 CG2 THR A 9 4.319 -13.858 -22.595 1.00 0.00 C ATOM 0 H THR A 9 6.505 -10.772 -21.479 1.00 0.00 H new ATOM 0 HA THR A 9 4.078 -11.255 -22.724 1.00 0.00 H new ATOM 0 HB THR A 9 5.393 -13.240 -20.855 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.892 -13.654 -22.608 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.810 -14.830 -22.650 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.378 -13.957 -22.054 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.121 -13.494 -23.603 1.00 0.00 H new ATOM 162 N GLU A 10 3.867 -11.022 -19.493 1.00 0.00 N ATOM 163 CA GLU A 10 2.950 -10.994 -18.360 1.00 0.00 C ATOM 164 C GLU A 10 2.077 -9.743 -18.398 1.00 0.00 C ATOM 165 O GLU A 10 1.019 -9.693 -17.771 1.00 0.00 O ATOM 166 CB GLU A 10 3.729 -11.045 -17.044 1.00 0.00 C ATOM 167 CG GLU A 10 4.701 -12.210 -16.956 1.00 0.00 C ATOM 168 CD GLU A 10 4.010 -13.523 -16.644 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.344 -13.606 -15.591 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.137 -14.467 -17.452 1.00 0.00 O ATOM 0 H GLU A 10 4.791 -10.635 -19.299 1.00 0.00 H new ATOM 0 HA GLU A 10 2.304 -11.870 -18.426 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.280 -10.113 -16.922 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.023 -11.109 -16.216 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.239 -12.302 -17.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.443 -12.002 -16.185 1.00 0.00 H new ATOM 177 N ALA A 11 2.528 -8.736 -19.138 1.00 0.00 N ATOM 178 CA ALA A 11 1.788 -7.486 -19.260 1.00 0.00 C ATOM 179 C ALA A 11 0.330 -7.745 -19.624 1.00 0.00 C ATOM 180 O ALA A 11 -0.557 -6.966 -19.271 1.00 0.00 O ATOM 181 CB ALA A 11 2.441 -6.585 -20.298 1.00 0.00 C ATOM 0 H ALA A 11 3.403 -8.761 -19.662 1.00 0.00 H new ATOM 0 HA ALA A 11 1.810 -6.983 -18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.878 -5.655 -20.379 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.465 -6.364 -19.996 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.449 -7.089 -21.264 1.00 0.00 H new ATOM 187 N LEU A 12 0.087 -8.842 -20.333 1.00 0.00 N ATOM 188 CA LEU A 12 -1.264 -9.204 -20.746 1.00 0.00 C ATOM 189 C LEU A 12 -2.223 -9.173 -19.559 1.00 0.00 C ATOM 190 O LEU A 12 -3.355 -8.706 -19.677 1.00 0.00 O ATOM 191 CB LEU A 12 -1.269 -10.594 -21.384 1.00 0.00 C ATOM 192 CG LEU A 12 -0.285 -10.807 -22.534 1.00 0.00 C ATOM 193 CD1 LEU A 12 0.102 -12.274 -22.640 1.00 0.00 C ATOM 194 CD2 LEU A 12 -0.881 -10.315 -23.845 1.00 0.00 C ATOM 0 H LEU A 12 0.809 -9.497 -20.634 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.601 -8.473 -21.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.055 -11.329 -20.608 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.275 -10.801 -21.750 1.00 0.00 H new ATOM 0 HG LEU A 12 0.615 -10.228 -22.328 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.803 -12.407 -23.464 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.571 -12.595 -21.710 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.790 -12.873 -22.822 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.166 -10.475 -24.652 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.797 -10.866 -24.057 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.107 -9.252 -23.766 1.00 0.00 H new ATOM 206 N GLU A 13 -1.759 -9.672 -18.418 1.00 0.00 N ATOM 207 CA GLU A 13 -2.576 -9.700 -17.210 1.00 0.00 C ATOM 208 C GLU A 13 -2.841 -8.286 -16.699 1.00 0.00 C ATOM 209 O GLU A 13 -3.902 -8.004 -16.142 1.00 0.00 O ATOM 210 CB GLU A 13 -1.888 -10.526 -16.121 1.00 0.00 C ATOM 211 CG GLU A 13 -2.857 -11.274 -15.221 1.00 0.00 C ATOM 212 CD GLU A 13 -3.795 -12.178 -15.997 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.370 -13.287 -16.380 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.956 -11.775 -16.221 1.00 0.00 O ATOM 0 H GLU A 13 -0.823 -10.062 -18.304 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.531 -10.163 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.215 -11.243 -16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.273 -9.865 -15.509 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.294 -11.871 -14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.443 -10.556 -14.647 1.00 0.00 H new ATOM 221 N PHE A 14 -1.868 -7.401 -16.893 1.00 0.00 N ATOM 222 CA PHE A 14 -1.994 -6.017 -16.452 1.00 0.00 C ATOM 223 C PHE A 14 -3.054 -5.281 -17.266 1.00 0.00 C ATOM 224 O PHE A 14 -3.913 -4.594 -16.712 1.00 0.00 O ATOM 225 CB PHE A 14 -0.650 -5.297 -16.572 1.00 0.00 C ATOM 226 CG PHE A 14 -0.744 -3.813 -16.359 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.490 -3.296 -15.312 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.085 -2.935 -17.205 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.579 -1.931 -15.114 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.170 -1.569 -17.012 1.00 0.00 C ATOM 231 CZ PHE A 14 -0.917 -1.067 -15.964 1.00 0.00 C ATOM 0 H PHE A 14 -0.984 -7.618 -17.353 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.303 -6.021 -15.407 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.044 -5.717 -15.844 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.231 -5.488 -17.560 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.008 -3.967 -14.643 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.502 -3.323 -18.025 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.166 -1.541 -14.296 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.347 -0.895 -17.679 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.983 -0.000 -15.810 1.00 0.00 H new ATOM 241 N LEU A 15 -2.986 -5.428 -18.585 1.00 0.00 N ATOM 242 CA LEU A 15 -3.938 -4.777 -19.477 1.00 0.00 C ATOM 243 C LEU A 15 -5.292 -5.479 -19.434 1.00 0.00 C ATOM 244 O LEU A 15 -6.328 -4.869 -19.701 1.00 0.00 O ATOM 245 CB LEU A 15 -3.401 -4.768 -20.909 1.00 0.00 C ATOM 246 CG LEU A 15 -3.614 -6.051 -21.714 1.00 0.00 C ATOM 247 CD1 LEU A 15 -4.905 -5.971 -22.514 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.429 -6.307 -22.634 1.00 0.00 C ATOM 0 H LEU A 15 -2.281 -5.992 -19.060 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.071 -3.749 -19.139 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.870 -3.944 -21.446 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.332 -4.558 -20.874 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.694 -6.885 -21.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.040 -6.893 -23.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.746 -5.836 -21.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.855 -5.127 -23.201 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.598 -7.224 -23.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.317 -5.471 -23.324 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.522 -6.410 -22.039 1.00 0.00 H new ATOM 260 N LEU A 16 -5.276 -6.763 -19.094 1.00 0.00 N ATOM 261 CA LEU A 16 -6.503 -7.548 -19.013 1.00 0.00 C ATOM 262 C LEU A 16 -7.219 -7.305 -17.688 1.00 0.00 C ATOM 263 O LEU A 16 -8.447 -7.356 -17.614 1.00 0.00 O ATOM 264 CB LEU A 16 -6.191 -9.037 -19.172 1.00 0.00 C ATOM 265 CG LEU A 16 -7.399 -9.966 -19.299 1.00 0.00 C ATOM 266 CD1 LEU A 16 -7.942 -9.944 -20.719 1.00 0.00 C ATOM 267 CD2 LEU A 16 -7.026 -11.384 -18.890 1.00 0.00 C ATOM 0 H LEU A 16 -4.427 -7.283 -18.870 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.161 -7.233 -19.823 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.565 -9.164 -20.056 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.600 -9.358 -18.314 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.180 -9.609 -18.628 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.801 -10.611 -20.790 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.248 -8.930 -20.976 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.167 -10.276 -21.410 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.897 -12.032 -18.986 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.228 -11.751 -19.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.685 -11.386 -17.855 1.00 0.00 H new ATOM 279 N LYS A 17 -6.443 -7.038 -16.643 1.00 0.00 N ATOM 280 CA LYS A 17 -7.001 -6.784 -15.320 1.00 0.00 C ATOM 281 C LYS A 17 -7.371 -5.313 -15.160 1.00 0.00 C ATOM 282 O LYS A 17 -8.319 -4.975 -14.451 1.00 0.00 O ATOM 283 CB LYS A 17 -6.001 -7.190 -14.235 1.00 0.00 C ATOM 284 CG LYS A 17 -4.862 -6.201 -14.057 1.00 0.00 C ATOM 285 CD LYS A 17 -3.846 -6.698 -13.041 1.00 0.00 C ATOM 286 CE LYS A 17 -4.402 -6.646 -11.626 1.00 0.00 C ATOM 287 NZ LYS A 17 -3.816 -7.707 -10.761 1.00 0.00 N ATOM 0 H LYS A 17 -5.425 -6.992 -16.687 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.906 -7.383 -15.213 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.529 -7.297 -13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.587 -8.168 -14.482 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.369 -6.036 -15.015 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.261 -5.239 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.559 -7.721 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.943 -6.091 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.197 -5.668 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.486 -6.760 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.772 -7.369 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.410 -8.560 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.857 -7.935 -11.092 1.00 0.00 H new ATOM 301 N ALA A 18 -6.618 -4.442 -15.824 1.00 0.00 N ATOM 302 CA ALA A 18 -6.869 -3.008 -15.757 1.00 0.00 C ATOM 303 C ALA A 18 -8.282 -2.676 -16.224 1.00 0.00 C ATOM 304 O ALA A 18 -8.880 -1.695 -15.779 1.00 0.00 O ATOM 305 CB ALA A 18 -5.845 -2.253 -16.591 1.00 0.00 C ATOM 0 H ALA A 18 -5.829 -4.705 -16.415 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.775 -2.696 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.045 -1.183 -16.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.844 -2.457 -16.210 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.911 -2.577 -17.630 1.00 0.00 H new ATOM 311 N HIS A 19 -8.812 -3.499 -17.124 1.00 0.00 N ATOM 312 CA HIS A 19 -10.156 -3.292 -17.651 1.00 0.00 C ATOM 313 C HIS A 19 -11.195 -3.376 -16.537 1.00 0.00 C ATOM 314 O HIS A 19 -12.001 -2.462 -16.358 1.00 0.00 O ATOM 315 CB HIS A 19 -10.467 -4.327 -18.733 1.00 0.00 C ATOM 316 CG HIS A 19 -11.649 -3.971 -19.580 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.474 -4.914 -20.156 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.145 -2.766 -19.947 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.425 -4.305 -20.841 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.248 -3.001 -20.730 1.00 0.00 N ATOM 0 H HIS A 19 -8.331 -4.315 -17.503 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.198 -2.295 -18.089 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.593 -4.444 -19.374 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.647 -5.292 -18.260 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.747 -1.800 -19.675 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.213 -4.791 -21.397 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.835 -2.285 -21.157 1.00 0.00 H new ATOM 328 N GLN A 20 -11.171 -4.476 -15.792 1.00 0.00 N ATOM 329 CA GLN A 20 -12.113 -4.678 -14.697 1.00 0.00 C ATOM 330 C GLN A 20 -11.995 -3.562 -13.665 1.00 0.00 C ATOM 331 O GLN A 20 -12.959 -3.239 -12.971 1.00 0.00 O ATOM 332 CB GLN A 20 -11.869 -6.033 -14.031 1.00 0.00 C ATOM 333 CG GLN A 20 -13.079 -6.570 -13.284 1.00 0.00 C ATOM 334 CD GLN A 20 -13.120 -6.118 -11.837 1.00 0.00 C ATOM 335 OE1 GLN A 20 -12.341 -5.260 -11.421 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.031 -6.694 -11.062 1.00 0.00 N ATOM 0 H GLN A 20 -10.510 -5.241 -15.926 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.122 -4.660 -15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.573 -6.755 -14.792 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.034 -5.942 -13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.988 -6.242 -13.789 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.069 -7.659 -13.320 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.656 -7.401 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.106 -6.430 -10.080 1.00 0.00 H new ATOM 345 N THR A 21 -10.806 -2.974 -13.569 1.00 0.00 N ATOM 346 CA THR A 21 -10.561 -1.895 -12.621 1.00 0.00 C ATOM 347 C THR A 21 -11.307 -0.629 -13.024 1.00 0.00 C ATOM 348 O THR A 21 -11.943 0.019 -12.194 1.00 0.00 O ATOM 349 CB THR A 21 -9.058 -1.578 -12.506 1.00 0.00 C ATOM 350 OG1 THR A 21 -8.298 -2.791 -12.532 1.00 0.00 O ATOM 351 CG2 THR A 21 -8.762 -0.815 -11.224 1.00 0.00 C ATOM 0 H THR A 21 -9.998 -3.228 -14.137 1.00 0.00 H new ATOM 0 HA THR A 21 -10.927 -2.236 -11.653 1.00 0.00 H new ATOM 0 HB THR A 21 -8.775 -0.955 -13.354 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.344 -2.581 -12.460 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.695 -0.603 -11.165 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.319 0.122 -11.221 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.060 -1.417 -10.365 1.00 0.00 H new ATOM 359 N ALA A 22 -11.224 -0.282 -14.305 1.00 0.00 N ATOM 360 CA ALA A 22 -11.894 0.906 -14.819 1.00 0.00 C ATOM 361 C ALA A 22 -13.405 0.706 -14.869 1.00 0.00 C ATOM 362 O ALA A 22 -14.173 1.614 -14.547 1.00 0.00 O ATOM 363 CB ALA A 22 -11.361 1.257 -16.200 1.00 0.00 C ATOM 0 H ALA A 22 -10.700 -0.807 -15.005 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.685 1.733 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.870 2.146 -16.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.290 1.451 -16.138 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.540 0.425 -16.881 1.00 0.00 H new ATOM 369 N VAL A 23 -13.827 -0.487 -15.275 1.00 0.00 N ATOM 370 CA VAL A 23 -15.246 -0.806 -15.366 1.00 0.00 C ATOM 371 C VAL A 23 -15.917 -0.726 -14.000 1.00 0.00 C ATOM 372 O VAL A 23 -17.044 -0.247 -13.877 1.00 0.00 O ATOM 373 CB VAL A 23 -15.469 -2.212 -15.954 1.00 0.00 C ATOM 374 CG1 VAL A 23 -16.955 -2.523 -16.049 1.00 0.00 C ATOM 375 CG2 VAL A 23 -14.802 -2.332 -17.316 1.00 0.00 C ATOM 0 H VAL A 23 -13.206 -1.249 -15.546 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.694 -0.067 -16.031 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.012 -2.942 -15.286 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.092 -3.520 -16.467 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.400 -2.482 -15.055 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.440 -1.790 -16.694 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.970 -3.332 -17.716 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.227 -1.593 -17.995 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.731 -2.157 -17.213 1.00 0.00 H new ATOM 385 N ASP A 24 -15.216 -1.198 -12.975 1.00 0.00 N ATOM 386 CA ASP A 24 -15.742 -1.179 -11.615 1.00 0.00 C ATOM 387 C ASP A 24 -15.937 0.253 -11.128 1.00 0.00 C ATOM 388 O ASP A 24 -16.826 0.531 -10.321 1.00 0.00 O ATOM 389 CB ASP A 24 -14.802 -1.929 -10.670 1.00 0.00 C ATOM 390 CG ASP A 24 -15.062 -1.601 -9.213 1.00 0.00 C ATOM 391 OD1 ASP A 24 -16.234 -1.678 -8.788 1.00 0.00 O ATOM 392 OD2 ASP A 24 -14.095 -1.269 -8.498 1.00 0.00 O ATOM 0 H ASP A 24 -14.282 -1.599 -13.060 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.711 -1.677 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.917 -3.002 -10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.770 -1.681 -10.917 1.00 0.00 H new ATOM 397 N LYS A 25 -15.101 1.160 -11.621 1.00 0.00 N ATOM 398 CA LYS A 25 -15.180 2.564 -11.238 1.00 0.00 C ATOM 399 C LYS A 25 -16.500 3.179 -11.693 1.00 0.00 C ATOM 400 O LYS A 25 -17.100 3.982 -10.979 1.00 0.00 O ATOM 401 CB LYS A 25 -14.008 3.345 -11.836 1.00 0.00 C ATOM 402 CG LYS A 25 -13.675 4.618 -11.078 1.00 0.00 C ATOM 403 CD LYS A 25 -14.503 5.793 -11.570 1.00 0.00 C ATOM 404 CE LYS A 25 -13.775 7.112 -11.369 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.272 8.168 -12.294 1.00 0.00 N ATOM 0 H LYS A 25 -14.359 0.947 -12.288 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.129 2.621 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.127 2.703 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.241 3.598 -12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.854 4.466 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.615 4.845 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.732 5.660 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.454 5.817 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.902 7.443 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.707 6.965 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.750 9.051 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.128 7.864 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.286 8.327 -12.126 1.00 0.00 H new ATOM 419 N ILE A 26 -16.945 2.796 -12.885 1.00 0.00 N ATOM 420 CA ILE A 26 -18.195 3.308 -13.433 1.00 0.00 C ATOM 421 C ILE A 26 -19.395 2.780 -12.654 1.00 0.00 C ATOM 422 O ILE A 26 -20.463 3.391 -12.650 1.00 0.00 O ATOM 423 CB ILE A 26 -18.354 2.931 -14.918 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.104 3.328 -15.705 1.00 0.00 C ATOM 425 CG2 ILE A 26 -19.590 3.598 -15.504 1.00 0.00 C ATOM 426 CD1 ILE A 26 -16.810 4.811 -15.664 1.00 0.00 C ATOM 0 H ILE A 26 -16.459 2.133 -13.489 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.157 4.394 -13.344 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.478 1.851 -14.992 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.247 2.785 -15.308 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.224 3.018 -16.743 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.689 3.322 -16.554 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -20.474 3.270 -14.958 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -19.493 4.681 -15.421 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.910 5.020 -16.243 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.650 5.360 -16.089 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.657 5.123 -14.631 1.00 0.00 H new ATOM 438 N GLY A 27 -19.210 1.641 -11.994 1.00 0.00 N ATOM 439 CA GLY A 27 -20.285 1.050 -11.219 1.00 0.00 C ATOM 440 C GLY A 27 -21.228 0.224 -12.071 1.00 0.00 C ATOM 441 O GLY A 27 -22.395 0.044 -11.722 1.00 0.00 O ATOM 0 H GLY A 27 -18.335 1.117 -11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.861 0.420 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.847 1.840 -10.722 1.00 0.00 H new ATOM 445 N HIS A 28 -20.723 -0.278 -13.193 1.00 0.00 N ATOM 446 CA HIS A 28 -21.530 -1.088 -14.099 1.00 0.00 C ATOM 447 C HIS A 28 -20.919 -2.475 -14.277 1.00 0.00 C ATOM 448 O HIS A 28 -19.723 -2.684 -14.073 1.00 0.00 O ATOM 449 CB HIS A 28 -21.660 -0.397 -15.456 1.00 0.00 C ATOM 450 CG HIS A 28 -22.798 0.574 -15.527 1.00 0.00 C ATOM 451 ND1 HIS A 28 -24.083 0.257 -15.140 1.00 0.00 N ATOM 452 CD2 HIS A 28 -22.839 1.862 -15.942 1.00 0.00 C ATOM 453 CE1 HIS A 28 -24.865 1.308 -15.316 1.00 0.00 C ATOM 454 NE2 HIS A 28 -24.134 2.295 -15.801 1.00 0.00 N ATOM 0 H HIS A 28 -19.759 -0.138 -13.497 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.522 -1.200 -13.661 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.731 0.128 -15.678 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.790 -1.154 -16.229 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.007 2.441 -16.315 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.922 1.352 -15.100 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -24.476 3.228 -16.033 1.00 0.00 H new ATOM 462 N PRO A 29 -21.758 -3.446 -14.667 1.00 0.00 N ATOM 463 CA PRO A 29 -21.323 -4.829 -14.882 1.00 0.00 C ATOM 464 C PRO A 29 -20.430 -4.972 -16.110 1.00 0.00 C ATOM 465 O PRO A 29 -20.544 -4.204 -17.064 1.00 0.00 O ATOM 466 CB PRO A 29 -22.637 -5.587 -15.084 1.00 0.00 C ATOM 467 CG PRO A 29 -23.592 -4.561 -15.587 1.00 0.00 C ATOM 468 CD PRO A 29 -23.196 -3.268 -14.929 1.00 0.00 C ATOM 0 HA PRO A 29 -20.724 -5.202 -14.051 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -22.518 -6.402 -15.798 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -22.986 -6.030 -14.151 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -23.540 -4.478 -16.673 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -24.619 -4.828 -15.337 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.383 -2.413 -15.578 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -23.754 -3.098 -14.008 1.00 0.00 H new ATOM 476 N SER A 30 -19.543 -5.961 -16.079 1.00 0.00 N ATOM 477 CA SER A 30 -18.628 -6.203 -17.188 1.00 0.00 C ATOM 478 C SER A 30 -19.199 -7.245 -18.145 1.00 0.00 C ATOM 479 O SER A 30 -18.764 -7.356 -19.292 1.00 0.00 O ATOM 480 CB SER A 30 -17.267 -6.666 -16.664 1.00 0.00 C ATOM 481 OG SER A 30 -16.551 -5.589 -16.085 1.00 0.00 O ATOM 0 H SER A 30 -19.439 -6.608 -15.297 1.00 0.00 H new ATOM 0 HA SER A 30 -18.500 -5.267 -17.731 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.407 -7.453 -15.924 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.686 -7.096 -17.480 1.00 0.00 H new ATOM 0 HG SER A 30 -15.686 -5.911 -15.756 1.00 0.00 H new ATOM 487 N HIS A 31 -20.176 -8.008 -17.665 1.00 0.00 N ATOM 488 CA HIS A 31 -20.808 -9.042 -18.477 1.00 0.00 C ATOM 489 C HIS A 31 -22.260 -8.685 -18.777 1.00 0.00 C ATOM 490 O HIS A 31 -23.136 -8.833 -17.925 1.00 0.00 O ATOM 491 CB HIS A 31 -20.739 -10.393 -17.765 1.00 0.00 C ATOM 492 CG HIS A 31 -21.254 -11.532 -18.589 1.00 0.00 C ATOM 493 ND1 HIS A 31 -20.440 -12.329 -19.365 1.00 0.00 N ATOM 494 CD2 HIS A 31 -22.511 -12.007 -18.755 1.00 0.00 C ATOM 495 CE1 HIS A 31 -21.173 -13.244 -19.973 1.00 0.00 C ATOM 496 NE2 HIS A 31 -22.433 -13.071 -19.619 1.00 0.00 N ATOM 0 H HIS A 31 -20.547 -7.930 -16.718 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.267 -9.110 -19.421 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.705 -10.595 -17.487 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.313 -10.336 -16.840 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -23.408 -11.621 -18.294 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.804 -14.004 -20.645 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -23.221 -13.636 -19.936 1.00 0.00 H new ATOM 504 N LYS A 32 -22.510 -8.214 -19.994 1.00 0.00 N ATOM 505 CA LYS A 32 -23.856 -7.836 -20.408 1.00 0.00 C ATOM 506 C LYS A 32 -24.077 -8.143 -21.886 1.00 0.00 C ATOM 507 O LYS A 32 -23.306 -7.709 -22.741 1.00 0.00 O ATOM 508 CB LYS A 32 -24.093 -6.347 -20.145 1.00 0.00 C ATOM 509 CG LYS A 32 -25.462 -6.044 -19.561 1.00 0.00 C ATOM 510 CD LYS A 32 -26.422 -5.537 -20.625 1.00 0.00 C ATOM 511 CE LYS A 32 -26.376 -4.021 -20.741 1.00 0.00 C ATOM 512 NZ LYS A 32 -27.401 -3.368 -19.881 1.00 0.00 N ATOM 0 H LYS A 32 -21.797 -8.085 -20.712 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.567 -8.420 -19.823 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.327 -5.981 -19.462 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.976 -5.798 -21.079 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -25.870 -6.944 -19.101 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -25.365 -5.298 -18.772 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -26.170 -5.984 -21.587 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -27.436 -5.854 -20.382 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.385 -3.665 -20.459 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -26.535 -3.731 -21.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.337 -2.335 -19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -28.349 -3.688 -20.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -27.234 -3.624 -18.887 1.00 0.00 H new ATOM 526 N GLN A 33 -25.135 -8.893 -22.177 1.00 0.00 N ATOM 527 CA GLN A 33 -25.458 -9.257 -23.552 1.00 0.00 C ATOM 528 C GLN A 33 -25.956 -8.046 -24.333 1.00 0.00 C ATOM 529 O GLN A 33 -27.055 -7.545 -24.089 1.00 0.00 O ATOM 530 CB GLN A 33 -26.513 -10.363 -23.575 1.00 0.00 C ATOM 531 CG GLN A 33 -25.968 -11.733 -23.202 1.00 0.00 C ATOM 532 CD GLN A 33 -25.107 -12.335 -24.295 1.00 0.00 C ATOM 533 OE1 GLN A 33 -25.484 -12.338 -25.467 1.00 0.00 O ATOM 534 NE2 GLN A 33 -23.943 -12.849 -23.916 1.00 0.00 N ATOM 0 H GLN A 33 -25.783 -9.260 -21.480 1.00 0.00 H new ATOM 0 HA GLN A 33 -24.548 -9.623 -24.027 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -27.317 -10.101 -22.887 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -26.951 -10.415 -24.572 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -25.382 -11.650 -22.287 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -26.799 -12.405 -22.988 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -23.671 -12.825 -22.933 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.321 -13.268 -24.607 1.00 0.00 H new ATOM 543 N THR A 34 -25.142 -7.578 -25.274 1.00 0.00 N ATOM 544 CA THR A 34 -25.500 -6.425 -26.090 1.00 0.00 C ATOM 545 C THR A 34 -24.749 -6.435 -27.417 1.00 0.00 C ATOM 546 O THR A 34 -23.710 -7.079 -27.564 1.00 0.00 O ATOM 547 CB THR A 34 -25.203 -5.103 -25.356 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.237 -5.323 -24.323 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.473 -4.522 -24.754 1.00 0.00 C ATOM 0 H THR A 34 -24.230 -7.980 -25.490 1.00 0.00 H new ATOM 0 HA THR A 34 -26.571 -6.494 -26.281 1.00 0.00 H new ATOM 0 HB THR A 34 -24.805 -4.392 -26.080 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.053 -4.478 -23.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.239 -3.589 -24.241 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.196 -4.329 -25.547 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.896 -5.231 -24.042 1.00 0.00 H new ATOM 557 N PRO A 35 -25.284 -5.705 -28.407 1.00 0.00 N ATOM 558 CA PRO A 35 -24.679 -5.614 -29.739 1.00 0.00 C ATOM 559 C PRO A 35 -23.374 -4.825 -29.730 1.00 0.00 C ATOM 560 O PRO A 35 -22.478 -5.079 -30.535 1.00 0.00 O ATOM 561 CB PRO A 35 -25.741 -4.881 -30.561 1.00 0.00 C ATOM 562 CG PRO A 35 -26.517 -4.093 -29.562 1.00 0.00 C ATOM 563 CD PRO A 35 -26.520 -4.913 -28.301 1.00 0.00 C ATOM 0 HA PRO A 35 -24.415 -6.595 -30.135 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.285 -4.232 -31.309 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -26.381 -5.582 -31.096 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.059 -3.118 -29.393 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.533 -3.911 -29.912 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.518 -4.283 -27.412 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.402 -5.551 -28.238 1.00 0.00 H new ATOM 571 N ALA A 36 -23.273 -3.867 -28.814 1.00 0.00 N ATOM 572 CA ALA A 36 -22.076 -3.043 -28.700 1.00 0.00 C ATOM 573 C ALA A 36 -20.837 -3.902 -28.477 1.00 0.00 C ATOM 574 O ALA A 36 -19.729 -3.521 -28.855 1.00 0.00 O ATOM 575 CB ALA A 36 -22.234 -2.038 -27.568 1.00 0.00 C ATOM 0 H ALA A 36 -24.005 -3.643 -28.141 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.947 -2.502 -29.637 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.333 -1.429 -27.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.091 -1.395 -27.769 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.391 -2.569 -26.629 1.00 0.00 H new ATOM 581 N ASP A 37 -21.031 -5.063 -27.860 1.00 0.00 N ATOM 582 CA ASP A 37 -19.928 -5.977 -27.587 1.00 0.00 C ATOM 583 C ASP A 37 -19.199 -6.349 -28.874 1.00 0.00 C ATOM 584 O ASP A 37 -18.005 -6.650 -28.859 1.00 0.00 O ATOM 585 CB ASP A 37 -20.444 -7.240 -26.895 1.00 0.00 C ATOM 586 CG ASP A 37 -19.333 -8.036 -26.239 1.00 0.00 C ATOM 587 OD1 ASP A 37 -18.214 -7.496 -26.107 1.00 0.00 O ATOM 588 OD2 ASP A 37 -19.582 -9.198 -25.856 1.00 0.00 O ATOM 0 H ASP A 37 -21.941 -5.393 -27.540 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.224 -5.471 -26.926 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -21.182 -6.963 -26.142 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.955 -7.868 -27.625 1.00 0.00 H new ATOM 593 N HIS A 38 -19.926 -6.327 -29.987 1.00 0.00 N ATOM 594 CA HIS A 38 -19.348 -6.663 -31.284 1.00 0.00 C ATOM 595 C HIS A 38 -18.404 -5.563 -31.759 1.00 0.00 C ATOM 596 O HIS A 38 -17.405 -5.834 -32.425 1.00 0.00 O ATOM 597 CB HIS A 38 -20.454 -6.884 -32.316 1.00 0.00 C ATOM 598 CG HIS A 38 -19.939 -7.203 -33.686 1.00 0.00 C ATOM 599 ND1 HIS A 38 -19.869 -8.487 -34.184 1.00 0.00 N ATOM 600 CD2 HIS A 38 -19.469 -6.395 -34.666 1.00 0.00 C ATOM 601 CE1 HIS A 38 -19.377 -8.455 -35.409 1.00 0.00 C ATOM 602 NE2 HIS A 38 -19.126 -7.198 -35.726 1.00 0.00 N ATOM 0 H HIS A 38 -20.915 -6.080 -30.017 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.776 -7.584 -31.173 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -21.096 -7.698 -31.980 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -21.074 -5.989 -32.369 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -19.380 -5.320 -34.622 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -19.208 -9.312 -36.044 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -18.740 -6.876 -36.614 1.00 0.00 H new ATOM 610 N ALA A 39 -18.728 -4.321 -31.413 1.00 0.00 N ATOM 611 CA ALA A 39 -17.908 -3.181 -31.803 1.00 0.00 C ATOM 612 C ALA A 39 -16.764 -2.965 -30.818 1.00 0.00 C ATOM 613 O ALA A 39 -15.740 -2.376 -31.162 1.00 0.00 O ATOM 614 CB ALA A 39 -18.763 -1.927 -31.905 1.00 0.00 C ATOM 0 H ALA A 39 -19.553 -4.079 -30.863 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.475 -3.393 -32.781 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.138 -1.083 -32.197 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.542 -2.077 -32.653 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.223 -1.721 -30.939 1.00 0.00 H new ATOM 620 N ALA A 40 -16.946 -3.445 -29.593 1.00 0.00 N ATOM 621 CA ALA A 40 -15.928 -3.305 -28.559 1.00 0.00 C ATOM 622 C ALA A 40 -14.578 -3.823 -29.044 1.00 0.00 C ATOM 623 O ALA A 40 -13.528 -3.353 -28.603 1.00 0.00 O ATOM 624 CB ALA A 40 -16.354 -4.039 -27.296 1.00 0.00 C ATOM 0 H ALA A 40 -17.789 -3.934 -29.292 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.820 -2.245 -28.331 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.584 -3.926 -26.532 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.292 -3.620 -26.931 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.491 -5.097 -27.519 1.00 0.00 H new ATOM 630 N ILE A 41 -14.613 -4.792 -29.952 1.00 0.00 N ATOM 631 CA ILE A 41 -13.392 -5.372 -30.496 1.00 0.00 C ATOM 632 C ILE A 41 -12.467 -4.291 -31.047 1.00 0.00 C ATOM 633 O ILE A 41 -11.247 -4.444 -31.042 1.00 0.00 O ATOM 634 CB ILE A 41 -13.700 -6.386 -31.614 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.291 -5.673 -32.831 1.00 0.00 C ATOM 636 CG2 ILE A 41 -14.653 -7.459 -31.107 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.611 -6.603 -33.980 1.00 0.00 C ATOM 0 H ILE A 41 -15.473 -5.192 -30.326 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.895 -5.888 -29.675 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.769 -6.867 -31.915 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -15.201 -5.153 -32.531 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.588 -4.914 -33.174 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.862 -8.168 -31.908 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.197 -7.983 -30.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -15.584 -6.995 -30.782 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.026 -6.029 -34.808 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.700 -7.104 -34.307 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.338 -7.347 -33.654 1.00 0.00 H new ATOM 649 N GLU A 42 -13.059 -3.199 -31.520 1.00 0.00 N ATOM 650 CA GLU A 42 -12.288 -2.092 -32.073 1.00 0.00 C ATOM 651 C GLU A 42 -11.228 -1.619 -31.083 1.00 0.00 C ATOM 652 O GLU A 42 -10.162 -1.146 -31.476 1.00 0.00 O ATOM 653 CB GLU A 42 -13.213 -0.930 -32.441 1.00 0.00 C ATOM 654 CG GLU A 42 -13.727 -0.157 -31.238 1.00 0.00 C ATOM 655 CD GLU A 42 -12.777 0.940 -30.800 1.00 0.00 C ATOM 656 OE1 GLU A 42 -12.298 1.695 -31.672 1.00 0.00 O ATOM 657 OE2 GLU A 42 -12.511 1.044 -29.584 1.00 0.00 O ATOM 0 H GLU A 42 -14.069 -3.057 -31.531 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.787 -2.447 -32.974 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.679 -0.246 -33.101 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.063 -1.317 -33.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.695 0.281 -31.479 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.887 -0.847 -30.409 1.00 0.00 H new ATOM 664 N ALA A 43 -11.530 -1.749 -29.795 1.00 0.00 N ATOM 665 CA ALA A 43 -10.604 -1.336 -28.748 1.00 0.00 C ATOM 666 C ALA A 43 -9.570 -2.423 -28.469 1.00 0.00 C ATOM 667 O ALA A 43 -8.397 -2.132 -28.236 1.00 0.00 O ATOM 668 CB ALA A 43 -11.365 -0.991 -27.476 1.00 0.00 C ATOM 0 H ALA A 43 -12.409 -2.137 -29.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.075 -0.448 -29.095 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.661 -0.684 -26.703 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.060 -0.176 -27.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.920 -1.865 -27.135 1.00 0.00 H new ATOM 674 N LEU A 44 -10.014 -3.675 -28.496 1.00 0.00 N ATOM 675 CA LEU A 44 -9.127 -4.805 -28.245 1.00 0.00 C ATOM 676 C LEU A 44 -7.968 -4.819 -29.237 1.00 0.00 C ATOM 677 O LEU A 44 -6.820 -5.059 -28.863 1.00 0.00 O ATOM 678 CB LEU A 44 -9.905 -6.119 -28.335 1.00 0.00 C ATOM 679 CG LEU A 44 -10.979 -6.338 -27.268 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.963 -7.408 -27.713 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.341 -6.716 -25.939 1.00 0.00 C ATOM 0 H LEU A 44 -10.982 -3.933 -28.689 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.720 -4.699 -27.240 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.379 -6.171 -29.315 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.194 -6.943 -28.281 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.526 -5.405 -27.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.720 -7.550 -26.941 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.444 -7.097 -28.640 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.432 -8.345 -27.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.120 -6.868 -25.192 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.769 -7.636 -26.059 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.677 -5.915 -25.613 1.00 0.00 H new ATOM 693 N ASP A 45 -8.277 -4.558 -30.503 1.00 0.00 N ATOM 694 CA ASP A 45 -7.261 -4.537 -31.549 1.00 0.00 C ATOM 695 C ASP A 45 -6.102 -3.623 -31.162 1.00 0.00 C ATOM 696 O ASP A 45 -4.937 -4.014 -31.243 1.00 0.00 O ATOM 697 CB ASP A 45 -7.871 -4.074 -32.873 1.00 0.00 C ATOM 698 CG ASP A 45 -6.847 -4.002 -33.988 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.735 -4.540 -33.809 1.00 0.00 O ATOM 700 OD2 ASP A 45 -7.159 -3.408 -35.041 1.00 0.00 O ATOM 0 H ASP A 45 -9.223 -4.358 -30.829 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.877 -5.550 -31.669 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.670 -4.758 -33.161 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.325 -3.093 -32.737 1.00 0.00 H new ATOM 705 N ARG A 46 -6.429 -2.405 -30.743 1.00 0.00 N ATOM 706 CA ARG A 46 -5.415 -1.436 -30.346 1.00 0.00 C ATOM 707 C ARG A 46 -4.470 -2.032 -29.308 1.00 0.00 C ATOM 708 O ARG A 46 -3.249 -1.945 -29.442 1.00 0.00 O ATOM 709 CB ARG A 46 -6.077 -0.175 -29.786 1.00 0.00 C ATOM 710 CG ARG A 46 -6.457 0.839 -30.852 1.00 0.00 C ATOM 711 CD ARG A 46 -7.622 1.707 -30.405 1.00 0.00 C ATOM 712 NE ARG A 46 -7.311 2.458 -29.192 1.00 0.00 N ATOM 713 CZ ARG A 46 -8.228 3.073 -28.452 1.00 0.00 C ATOM 714 NH1 ARG A 46 -9.506 3.025 -28.800 1.00 0.00 N ATOM 715 NH2 ARG A 46 -7.866 3.737 -27.362 1.00 0.00 N ATOM 0 H ARG A 46 -7.388 -2.066 -30.670 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.834 -1.172 -31.230 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.972 -0.460 -29.233 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.399 0.296 -29.074 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.598 1.470 -31.078 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.722 0.319 -31.773 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.884 2.401 -31.204 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.495 1.079 -30.229 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.336 2.514 -28.896 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.788 2.515 -29.637 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.208 3.498 -28.230 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.883 3.776 -27.091 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.570 4.209 -26.795 1.00 0.00 H new ATOM 729 N LEU A 47 -5.042 -2.637 -28.273 1.00 0.00 N ATOM 730 CA LEU A 47 -4.251 -3.248 -27.210 1.00 0.00 C ATOM 731 C LEU A 47 -3.255 -4.252 -27.782 1.00 0.00 C ATOM 732 O LEU A 47 -2.046 -4.124 -27.586 1.00 0.00 O ATOM 733 CB LEU A 47 -5.166 -3.939 -26.198 1.00 0.00 C ATOM 734 CG LEU A 47 -6.352 -3.116 -25.694 1.00 0.00 C ATOM 735 CD1 LEU A 47 -7.127 -3.887 -24.638 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.878 -1.780 -25.141 1.00 0.00 C ATOM 0 H LEU A 47 -6.051 -2.718 -28.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.694 -2.458 -26.705 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.550 -4.853 -26.651 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.565 -4.237 -25.339 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.018 -2.923 -26.535 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.967 -3.285 -24.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.500 -4.817 -25.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.471 -4.112 -23.797 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.736 -1.208 -24.787 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.190 -1.952 -24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.368 -1.221 -25.926 1.00 0.00 H new ATOM 748 N LEU A 48 -3.771 -5.250 -28.490 1.00 0.00 N ATOM 749 CA LEU A 48 -2.927 -6.277 -29.093 1.00 0.00 C ATOM 750 C LEU A 48 -1.819 -5.647 -29.931 1.00 0.00 C ATOM 751 O LEU A 48 -0.655 -6.041 -29.837 1.00 0.00 O ATOM 752 CB LEU A 48 -3.770 -7.212 -29.962 1.00 0.00 C ATOM 753 CG LEU A 48 -4.989 -7.839 -29.286 1.00 0.00 C ATOM 754 CD1 LEU A 48 -5.887 -8.506 -30.316 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.555 -8.841 -28.226 1.00 0.00 C ATOM 0 H LEU A 48 -4.769 -5.371 -28.661 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.468 -6.853 -28.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.110 -6.655 -30.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.128 -8.015 -30.325 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.557 -7.047 -28.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.749 -8.947 -29.816 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.227 -7.763 -31.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.330 -9.287 -30.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.436 -9.277 -27.755 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.964 -9.630 -28.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.954 -8.334 -27.471 1.00 0.00 H new ATOM 767 N LEU A 49 -2.186 -4.667 -30.748 1.00 0.00 N ATOM 768 CA LEU A 49 -1.222 -3.980 -31.601 1.00 0.00 C ATOM 769 C LEU A 49 -0.096 -3.373 -30.771 1.00 0.00 C ATOM 770 O LEU A 49 1.083 -3.566 -31.070 1.00 0.00 O ATOM 771 CB LEU A 49 -1.919 -2.888 -32.414 1.00 0.00 C ATOM 772 CG LEU A 49 -1.005 -1.978 -33.237 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.501 -2.705 -34.474 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.736 -0.701 -33.627 1.00 0.00 C ATOM 0 H LEU A 49 -3.144 -4.330 -30.838 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.790 -4.712 -32.283 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.629 -3.364 -33.090 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.497 -2.267 -31.730 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.145 -1.708 -32.624 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.147 -2.042 -35.047 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.060 -3.590 -34.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.349 -3.005 -35.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.071 -0.065 -34.212 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.614 -0.952 -34.222 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.047 -0.170 -32.727 1.00 0.00 H new ATOM 786 N ASP A 50 -0.467 -2.639 -29.728 1.00 0.00 N ATOM 787 CA ASP A 50 0.512 -2.006 -28.852 1.00 0.00 C ATOM 788 C ASP A 50 1.467 -3.041 -28.266 1.00 0.00 C ATOM 789 O ASP A 50 2.679 -2.969 -28.471 1.00 0.00 O ATOM 790 CB ASP A 50 -0.193 -1.249 -27.726 1.00 0.00 C ATOM 791 CG ASP A 50 -0.704 0.107 -28.171 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.112 1.050 -28.256 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.919 0.227 -28.434 1.00 0.00 O ATOM 0 H ASP A 50 -1.438 -2.468 -29.468 1.00 0.00 H new ATOM 0 HA ASP A 50 1.091 -1.300 -29.447 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.028 -1.846 -27.358 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.497 -1.118 -26.892 1.00 0.00 H new ATOM 798 N VAL A 51 0.913 -4.003 -27.534 1.00 0.00 N ATOM 799 CA VAL A 51 1.715 -5.053 -26.918 1.00 0.00 C ATOM 800 C VAL A 51 2.519 -5.816 -27.965 1.00 0.00 C ATOM 801 O VAL A 51 3.575 -6.373 -27.666 1.00 0.00 O ATOM 802 CB VAL A 51 0.834 -6.046 -26.137 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.066 -5.330 -25.037 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.117 -6.769 -27.079 1.00 0.00 C ATOM 0 H VAL A 51 -0.088 -4.076 -27.353 1.00 0.00 H new ATOM 0 HA VAL A 51 2.400 -4.564 -26.225 1.00 0.00 H new ATOM 0 HB VAL A 51 1.481 -6.788 -25.670 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.550 -6.048 -24.497 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.769 -4.864 -24.347 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.572 -4.564 -25.478 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.732 -7.467 -26.510 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.759 -6.042 -27.577 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.457 -7.317 -27.826 1.00 0.00 H new ATOM 814 N ARG A 52 2.011 -5.837 -29.193 1.00 0.00 N ATOM 815 CA ARG A 52 2.682 -6.533 -30.284 1.00 0.00 C ATOM 816 C ARG A 52 3.885 -5.736 -30.780 1.00 0.00 C ATOM 817 O ARG A 52 4.902 -6.308 -31.171 1.00 0.00 O ATOM 818 CB ARG A 52 1.707 -6.775 -31.438 1.00 0.00 C ATOM 819 CG ARG A 52 2.347 -7.434 -32.649 1.00 0.00 C ATOM 820 CD ARG A 52 2.839 -8.836 -32.325 1.00 0.00 C ATOM 821 NE ARG A 52 3.247 -9.564 -33.524 1.00 0.00 N ATOM 822 CZ ARG A 52 2.390 -10.043 -34.420 1.00 0.00 C ATOM 823 NH1 ARG A 52 1.086 -9.872 -34.252 1.00 0.00 N ATOM 824 NH2 ARG A 52 2.838 -10.694 -35.485 1.00 0.00 N ATOM 0 H ARG A 52 1.138 -5.380 -29.457 1.00 0.00 H new ATOM 0 HA ARG A 52 3.035 -7.493 -29.907 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.888 -7.401 -31.085 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.272 -5.822 -31.741 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.625 -7.480 -33.464 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.182 -6.826 -32.997 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.680 -8.774 -31.635 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.049 -9.389 -31.817 1.00 0.00 H new ATOM 0 HE ARG A 52 4.244 -9.713 -33.682 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.738 -9.372 -33.434 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.430 -10.241 -34.941 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.841 -10.827 -35.617 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.180 -11.061 -36.172 1.00 0.00 H new ATOM 838 N ALA A 53 3.760 -4.413 -30.761 1.00 0.00 N ATOM 839 CA ALA A 53 4.837 -3.538 -31.206 1.00 0.00 C ATOM 840 C ALA A 53 5.665 -3.042 -30.026 1.00 0.00 C ATOM 841 O ALA A 53 6.300 -1.989 -30.099 1.00 0.00 O ATOM 842 CB ALA A 53 4.272 -2.361 -31.988 1.00 0.00 C ATOM 0 H ALA A 53 2.924 -3.924 -30.442 1.00 0.00 H new ATOM 0 HA ALA A 53 5.492 -4.114 -31.860 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.088 -1.716 -32.314 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.730 -2.729 -32.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.593 -1.794 -31.352 1.00 0.00 H new ATOM 848 N ARG A 54 5.654 -3.806 -28.938 1.00 0.00 N ATOM 849 CA ARG A 54 6.403 -3.442 -27.741 1.00 0.00 C ATOM 850 C ARG A 54 6.072 -2.018 -27.305 1.00 0.00 C ATOM 851 O ARG A 54 6.967 -1.197 -27.102 1.00 0.00 O ATOM 852 CB ARG A 54 7.906 -3.573 -27.995 1.00 0.00 C ATOM 853 CG ARG A 54 8.403 -5.009 -27.976 1.00 0.00 C ATOM 854 CD ARG A 54 9.756 -5.139 -28.659 1.00 0.00 C ATOM 855 NE ARG A 54 9.649 -5.022 -30.111 1.00 0.00 N ATOM 856 CZ ARG A 54 10.682 -5.150 -30.936 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.893 -5.399 -30.455 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.506 -5.030 -32.246 1.00 0.00 N ATOM 0 H ARG A 54 5.135 -4.681 -28.861 1.00 0.00 H new ATOM 0 HA ARG A 54 6.116 -4.124 -26.941 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.143 -3.128 -28.961 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.445 -3.001 -27.240 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.480 -5.355 -26.945 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.679 -5.653 -28.475 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.428 -4.368 -28.282 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.200 -6.102 -28.404 1.00 0.00 H new ATOM 0 HE ARG A 54 8.731 -4.832 -30.513 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.033 -5.493 -29.449 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.684 -5.497 -31.091 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.577 -4.839 -32.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.300 -5.129 -32.878 1.00 0.00 H new ATOM 872 N ARG A 55 4.782 -1.732 -27.163 1.00 0.00 N ATOM 873 CA ARG A 55 4.333 -0.407 -26.752 1.00 0.00 C ATOM 874 C ARG A 55 3.766 -0.440 -25.336 1.00 0.00 C ATOM 875 O ARG A 55 2.930 0.387 -24.971 1.00 0.00 O ATOM 876 CB ARG A 55 3.276 0.120 -27.724 1.00 0.00 C ATOM 877 CG ARG A 55 3.862 0.778 -28.963 1.00 0.00 C ATOM 878 CD ARG A 55 2.796 1.510 -29.762 1.00 0.00 C ATOM 879 NE ARG A 55 3.230 1.787 -31.129 1.00 0.00 N ATOM 880 CZ ARG A 55 4.025 2.799 -31.457 1.00 0.00 C ATOM 881 NH1 ARG A 55 4.472 3.626 -30.521 1.00 0.00 N ATOM 882 NH2 ARG A 55 4.376 2.985 -32.723 1.00 0.00 N ATOM 0 H ARG A 55 4.029 -2.400 -27.327 1.00 0.00 H new ATOM 0 HA ARG A 55 5.194 0.261 -26.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.633 -0.705 -28.031 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.644 0.840 -27.205 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.643 1.479 -28.669 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.333 0.021 -29.590 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.885 0.911 -29.785 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.549 2.447 -29.263 1.00 0.00 H new ATOM 0 HE ARG A 55 2.905 1.169 -31.873 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.205 3.485 -29.547 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.082 4.402 -30.776 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.035 2.350 -33.445 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.987 3.763 -32.974 1.00 0.00 H new ATOM 896 N VAL A 56 4.226 -1.402 -24.542 1.00 0.00 N ATOM 897 CA VAL A 56 3.766 -1.542 -23.166 1.00 0.00 C ATOM 898 C VAL A 56 4.696 -0.819 -22.198 1.00 0.00 C ATOM 899 O VAL A 56 5.902 -0.734 -22.428 1.00 0.00 O ATOM 900 CB VAL A 56 3.667 -3.023 -22.755 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.041 -3.155 -21.375 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.874 -3.810 -23.787 1.00 0.00 C ATOM 0 H VAL A 56 4.917 -2.096 -24.828 1.00 0.00 H new ATOM 0 HA VAL A 56 2.775 -1.092 -23.117 1.00 0.00 H new ATOM 0 HB VAL A 56 4.674 -3.437 -22.711 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.980 -4.209 -21.103 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.654 -2.627 -20.645 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.040 -2.725 -21.387 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.814 -4.854 -23.481 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.869 -3.397 -23.866 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.370 -3.744 -24.755 1.00 0.00 H new ATOM 912 N ASP A 57 4.127 -0.299 -21.116 1.00 0.00 N ATOM 913 CA ASP A 57 4.905 0.416 -20.112 1.00 0.00 C ATOM 914 C ASP A 57 4.194 0.403 -18.762 1.00 0.00 C ATOM 915 O ASP A 57 3.109 -0.161 -18.628 1.00 0.00 O ATOM 916 CB ASP A 57 5.151 1.858 -20.558 1.00 0.00 C ATOM 917 CG ASP A 57 3.972 2.440 -21.314 1.00 0.00 C ATOM 918 OD1 ASP A 57 2.820 2.174 -20.911 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.202 3.162 -22.306 1.00 0.00 O ATOM 0 H ASP A 57 3.129 -0.359 -20.912 1.00 0.00 H new ATOM 0 HA ASP A 57 5.864 -0.091 -20.003 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.359 2.475 -19.684 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.038 1.893 -21.191 1.00 0.00 H new ATOM 924 N GLN A 58 4.814 1.027 -17.766 1.00 0.00 N ATOM 925 CA GLN A 58 4.241 1.085 -16.427 1.00 0.00 C ATOM 926 C GLN A 58 3.452 2.375 -16.228 1.00 0.00 C ATOM 927 O GLN A 58 3.860 3.442 -16.688 1.00 0.00 O ATOM 928 CB GLN A 58 5.344 0.980 -15.372 1.00 0.00 C ATOM 929 CG GLN A 58 6.172 2.247 -15.229 1.00 0.00 C ATOM 930 CD GLN A 58 7.481 2.010 -14.502 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.479 1.620 -15.108 1.00 0.00 O ATOM 932 NE2 GLN A 58 7.483 2.244 -13.195 1.00 0.00 N ATOM 0 H GLN A 58 5.713 1.499 -17.861 1.00 0.00 H new ATOM 0 HA GLN A 58 3.559 0.242 -16.314 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.893 0.740 -14.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.004 0.152 -15.630 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.379 2.655 -16.218 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.592 2.996 -14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.633 2.567 -12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.335 2.101 -12.653 1.00 0.00 H new ATOM 941 N PHE A 59 2.321 2.271 -15.539 1.00 0.00 N ATOM 942 CA PHE A 59 1.473 3.429 -15.280 1.00 0.00 C ATOM 943 C PHE A 59 0.523 3.159 -14.117 1.00 0.00 C ATOM 944 O PHE A 59 0.524 2.070 -13.543 1.00 0.00 O ATOM 945 CB PHE A 59 0.674 3.793 -16.533 1.00 0.00 C ATOM 946 CG PHE A 59 1.376 4.771 -17.429 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.536 6.093 -17.045 1.00 0.00 C ATOM 948 CD2 PHE A 59 1.877 4.370 -18.658 1.00 0.00 C ATOM 949 CE1 PHE A 59 2.183 6.996 -17.867 1.00 0.00 C ATOM 950 CE2 PHE A 59 2.525 5.268 -19.484 1.00 0.00 C ATOM 951 CZ PHE A 59 2.677 6.583 -19.089 1.00 0.00 C ATOM 0 H PHE A 59 1.970 1.396 -15.150 1.00 0.00 H new ATOM 0 HA PHE A 59 2.117 4.267 -15.012 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.463 2.884 -17.096 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.286 4.212 -16.233 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.150 6.422 -16.091 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.759 3.344 -18.973 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.302 8.023 -17.554 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.913 4.942 -20.438 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.181 7.287 -19.735 1.00 0.00 H new ATOM 961 N GLN A 60 -0.285 4.158 -13.776 1.00 0.00 N ATOM 962 CA GLN A 60 -1.239 4.028 -12.681 1.00 0.00 C ATOM 963 C GLN A 60 -2.424 4.967 -12.878 1.00 0.00 C ATOM 964 O GLN A 60 -2.255 6.122 -13.269 1.00 0.00 O ATOM 965 CB GLN A 60 -0.556 4.324 -11.345 1.00 0.00 C ATOM 966 CG GLN A 60 0.208 5.638 -11.329 1.00 0.00 C ATOM 967 CD GLN A 60 0.670 6.028 -9.938 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.865 6.192 -9.692 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.277 6.178 -9.020 1.00 0.00 N ATOM 0 H GLN A 60 -0.298 5.065 -14.242 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.608 3.003 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.310 4.342 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.131 3.511 -11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.074 5.558 -11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.426 6.428 -11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.256 6.032 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.026 6.439 -8.066 1.00 0.00 H new ATOM 978 N ILE A 61 -3.623 4.463 -12.606 1.00 0.00 N ATOM 979 CA ILE A 61 -4.837 5.257 -12.754 1.00 0.00 C ATOM 980 C ILE A 61 -5.113 6.076 -11.497 1.00 0.00 C ATOM 981 O ILE A 61 -5.253 7.297 -11.558 1.00 0.00 O ATOM 982 CB ILE A 61 -6.058 4.369 -13.053 1.00 0.00 C ATOM 983 CG1 ILE A 61 -5.794 3.499 -14.284 1.00 0.00 C ATOM 984 CG2 ILE A 61 -7.298 5.225 -13.259 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.831 2.418 -14.494 1.00 0.00 C ATOM 0 H ILE A 61 -3.780 3.509 -12.282 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.674 5.930 -13.596 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.230 3.714 -12.199 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.760 4.136 -15.168 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.812 3.035 -14.187 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.153 4.582 -13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.494 5.805 -12.357 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.138 5.902 -14.098 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.580 1.841 -15.384 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.849 1.758 -13.627 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.812 2.875 -14.623 1.00 0.00 H new ATOM 997 N ASN A 62 -5.189 5.395 -10.359 1.00 0.00 N ATOM 998 CA ASN A 62 -5.448 6.059 -9.086 1.00 0.00 C ATOM 999 C ASN A 62 -4.565 5.484 -7.983 1.00 0.00 C ATOM 1000 O ASN A 62 -4.140 4.332 -8.052 1.00 0.00 O ATOM 1001 CB ASN A 62 -6.922 5.915 -8.703 1.00 0.00 C ATOM 1002 CG ASN A 62 -7.845 6.623 -9.676 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -7.631 7.787 -10.016 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -8.878 5.922 -10.129 1.00 0.00 N ATOM 0 H ASN A 62 -5.075 4.384 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.211 7.117 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.183 4.857 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.075 6.318 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.533 6.346 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.016 4.960 -9.820 1.00 0.00 H new ATOM 1011 N ALA A 63 -4.295 6.296 -6.966 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.466 5.867 -5.846 1.00 0.00 C ATOM 1013 C ALA A 63 -4.137 4.744 -5.064 1.00 0.00 C ATOM 1014 O ALA A 63 -3.466 3.867 -4.519 1.00 0.00 O ATOM 1015 CB ALA A 63 -3.166 7.045 -4.930 1.00 0.00 C ATOM 0 H ALA A 63 -4.638 7.254 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.528 5.484 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.546 6.710 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.636 7.816 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.100 7.454 -4.545 1.00 0.00 H new ATOM 1021 N SER A 64 -5.465 4.776 -5.012 1.00 0.00 N ATOM 1022 CA SER A 64 -6.227 3.763 -4.292 1.00 0.00 C ATOM 1023 C SER A 64 -6.388 2.503 -5.136 1.00 0.00 C ATOM 1024 O SER A 64 -6.519 1.400 -4.607 1.00 0.00 O ATOM 1025 CB SER A 64 -7.602 4.309 -3.902 1.00 0.00 C ATOM 1026 OG SER A 64 -8.154 3.577 -2.822 1.00 0.00 O ATOM 0 H SER A 64 -6.035 5.493 -5.460 1.00 0.00 H new ATOM 0 HA SER A 64 -5.677 3.505 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.514 5.360 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.273 4.259 -4.760 1.00 0.00 H new ATOM 0 HG SER A 64 -9.032 3.947 -2.591 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.376 2.676 -6.454 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.519 1.553 -7.373 1.00 0.00 C ATOM 1034 C ALA A 65 -5.328 0.606 -7.273 1.00 0.00 C ATOM 1035 O ALA A 65 -4.278 0.969 -6.744 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.677 2.057 -8.800 1.00 0.00 C ATOM 0 H ALA A 65 -6.269 3.583 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.415 0.998 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.783 1.208 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.564 2.687 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.798 2.637 -9.081 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.500 -0.609 -7.783 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.438 -1.607 -7.751 1.00 0.00 C ATOM 1044 C ALA A 66 -3.197 -1.112 -8.486 1.00 0.00 C ATOM 1045 O ALA A 66 -3.295 -0.531 -9.566 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.926 -2.915 -8.357 1.00 0.00 C ATOM 0 H ALA A 66 -6.364 -0.926 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.166 -1.780 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.123 -3.652 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.779 -3.284 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.226 -2.747 -9.391 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.031 -1.345 -7.892 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.771 -0.921 -8.491 1.00 0.00 C ATOM 1054 C GLN A 67 -0.103 -2.076 -9.229 1.00 0.00 C ATOM 1055 O GLN A 67 0.101 -3.151 -8.665 1.00 0.00 O ATOM 1056 CB GLN A 67 0.170 -0.375 -7.416 1.00 0.00 C ATOM 1057 CG GLN A 67 1.437 0.250 -7.977 1.00 0.00 C ATOM 1058 CD GLN A 67 1.151 1.334 -8.997 1.00 0.00 C ATOM 1059 OE1 GLN A 67 0.878 1.049 -10.163 1.00 0.00 O ATOM 1060 NE2 GLN A 67 1.211 2.587 -8.561 1.00 0.00 N ATOM 0 H GLN A 67 -1.933 -1.825 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.987 -0.131 -9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.361 0.370 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.443 -1.184 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.023 0.671 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.047 -0.526 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.441 2.777 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.027 3.359 -9.201 1.00 0.00 H new ATOM 1069 N ILE A 68 0.234 -1.847 -10.494 1.00 0.00 N ATOM 1070 CA ILE A 68 0.879 -2.869 -11.309 1.00 0.00 C ATOM 1071 C ILE A 68 1.978 -2.266 -12.178 1.00 0.00 C ATOM 1072 O ILE A 68 1.699 -1.622 -13.190 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.136 -3.592 -12.213 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.313 -4.111 -11.383 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.537 -4.735 -12.959 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.478 -3.148 -11.319 1.00 0.00 C ATOM 0 H ILE A 68 0.071 -0.963 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 68 1.318 -3.591 -10.620 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.517 -2.881 -12.946 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.656 -5.056 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.969 -4.320 -10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.194 -5.236 -13.594 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.344 -4.341 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.944 -5.448 -12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.275 -3.581 -10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.151 -2.210 -10.870 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.849 -2.958 -12.326 1.00 0.00 H new ATOM 1088 N ILE A 69 3.226 -2.481 -11.778 1.00 0.00 N ATOM 1089 CA ILE A 69 4.367 -1.962 -12.522 1.00 0.00 C ATOM 1090 C ILE A 69 4.868 -2.979 -13.541 1.00 0.00 C ATOM 1091 O ILE A 69 4.860 -4.184 -13.287 1.00 0.00 O ATOM 1092 CB ILE A 69 5.525 -1.580 -11.582 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.063 -0.533 -10.566 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.709 -1.060 -12.384 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.480 -1.132 -9.305 1.00 0.00 C ATOM 0 H ILE A 69 3.473 -3.011 -10.942 1.00 0.00 H new ATOM 0 HA ILE A 69 4.023 -1.069 -13.044 1.00 0.00 H new ATOM 0 HB ILE A 69 5.841 -2.471 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.908 0.102 -10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.316 0.110 -11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.519 -0.794 -11.705 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.051 -1.834 -13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.406 -0.179 -12.950 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.174 -0.333 -8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.614 -1.744 -9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.231 -1.752 -8.816 1.00 0.00 H new ATOM 1107 N VAL A 70 5.306 -2.486 -14.695 1.00 0.00 N ATOM 1108 CA VAL A 70 5.815 -3.352 -15.752 1.00 0.00 C ATOM 1109 C VAL A 70 7.332 -3.486 -15.671 1.00 0.00 C ATOM 1110 O VAL A 70 8.065 -2.529 -15.921 1.00 0.00 O ATOM 1111 CB VAL A 70 5.431 -2.821 -17.146 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.989 -3.725 -18.235 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.921 -2.693 -17.270 1.00 0.00 C ATOM 0 H VAL A 70 5.319 -1.492 -14.922 1.00 0.00 H new ATOM 0 HA VAL A 70 5.359 -4.331 -15.606 1.00 0.00 H new ATOM 0 HB VAL A 70 5.868 -1.830 -17.271 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.707 -3.334 -19.213 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.076 -3.760 -18.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.584 -4.730 -18.116 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.668 -2.317 -18.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.460 -3.670 -17.124 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.551 -2.001 -16.514 1.00 0.00 H new ATOM 1123 N THR A 71 7.797 -4.680 -15.320 1.00 0.00 N ATOM 1124 CA THR A 71 9.227 -4.940 -15.205 1.00 0.00 C ATOM 1125 C THR A 71 9.699 -5.904 -16.287 1.00 0.00 C ATOM 1126 O THR A 71 9.945 -7.080 -16.020 1.00 0.00 O ATOM 1127 CB THR A 71 9.582 -5.522 -13.824 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.936 -5.989 -13.823 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.646 -6.665 -13.461 1.00 0.00 C ATOM 0 H THR A 71 7.204 -5.483 -15.110 1.00 0.00 H new ATOM 0 HA THR A 71 9.734 -3.983 -15.329 1.00 0.00 H new ATOM 0 HB THR A 71 9.470 -4.732 -13.082 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.019 -6.752 -14.432 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.916 -7.060 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.619 -6.300 -13.434 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.731 -7.455 -14.207 1.00 0.00 H new ATOM 1137 N ASP A 72 9.826 -5.398 -17.509 1.00 0.00 N ATOM 1138 CA ASP A 72 10.271 -6.214 -18.632 1.00 0.00 C ATOM 1139 C ASP A 72 11.594 -6.903 -18.312 1.00 0.00 C ATOM 1140 O ASP A 72 12.428 -7.108 -19.196 1.00 0.00 O ATOM 1141 CB ASP A 72 10.420 -5.354 -19.888 1.00 0.00 C ATOM 1142 CG ASP A 72 11.458 -4.262 -19.722 1.00 0.00 C ATOM 1143 OD1 ASP A 72 11.093 -3.161 -19.258 1.00 0.00 O ATOM 1144 OD2 ASP A 72 12.636 -4.508 -20.056 1.00 0.00 O ATOM 0 H ASP A 72 9.627 -4.426 -17.747 1.00 0.00 H new ATOM 0 HA ASP A 72 9.517 -6.980 -18.814 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.697 -5.990 -20.729 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.458 -4.903 -20.132 1.00 0.00 H new TER 1149 ASP A 72