USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 92 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.11) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -66:sc= 0.898 USER MOD Single : A 103 MET CE :methyl -153:sc= -1.21 (180deg=-2.22!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -150:sc= -1.28 (180deg=-1.8!) USER MOD Single : A 122 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 124 THR OG1 : rot 37:sc= -0.541 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -170:sc= -0.286 USER MOD Single : A 137 MET CE :methyl 179:sc= -5.5! (180deg=-5.52!) USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.322) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN :FLIP amide:sc= -4.05! C(o=-5.9!,f=-4!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 146:sc= -11.2! (180deg=-15.9!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 57.286 11.840 18.340 1.00 0.00 N ATOM 2 CA GLY A 91 56.492 11.586 17.142 1.00 0.00 C ATOM 3 C GLY A 91 55.523 10.431 17.369 1.00 0.00 C ATOM 4 O GLY A 91 54.323 10.635 17.554 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.937 12.484 16.871 1.00 0.00 H new ATOM 0 HA3 GLY A 91 57.151 11.354 16.306 1.00 0.00 H new ATOM 8 N LYS A 92 56.057 9.214 17.351 1.00 0.00 N ATOM 9 CA LYS A 92 55.230 8.029 17.554 1.00 0.00 C ATOM 10 C LYS A 92 56.025 6.938 18.264 1.00 0.00 C ATOM 11 O LYS A 92 57.128 7.173 18.757 1.00 0.00 O ATOM 12 CB LYS A 92 54.729 7.488 16.212 1.00 0.00 C ATOM 13 CG LYS A 92 54.572 8.642 15.220 1.00 0.00 C ATOM 14 CD LYS A 92 53.951 8.120 13.923 1.00 0.00 C ATOM 15 CE LYS A 92 52.528 8.663 13.783 1.00 0.00 C ATOM 16 NZ LYS A 92 52.582 10.093 13.366 1.00 0.00 N ATOM 0 H LYS A 92 57.047 9.023 17.200 1.00 0.00 H new ATOM 0 HA LYS A 92 54.378 8.316 18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.431 6.751 15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.775 6.979 16.347 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.942 9.421 15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 55.543 9.094 15.015 1.00 0.00 H new ATOM 0 HD2 LYS A 92 54.554 8.428 13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 92 53.937 7.030 13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.975 8.079 13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.996 8.569 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 51.618 10.483 13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 53.152 10.632 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.013 10.163 12.422 1.00 0.00 H new ATOM 30 N SER A 93 55.450 5.739 18.309 1.00 0.00 N ATOM 31 CA SER A 93 56.111 4.612 18.960 1.00 0.00 C ATOM 32 C SER A 93 55.888 3.332 18.161 1.00 0.00 C ATOM 33 O SER A 93 55.107 3.304 17.210 1.00 0.00 O ATOM 34 CB SER A 93 55.567 4.416 20.375 1.00 0.00 C ATOM 35 OG SER A 93 54.161 4.216 20.314 1.00 0.00 O ATOM 0 H SER A 93 54.538 5.524 17.907 1.00 0.00 H new ATOM 0 HA SER A 93 57.178 4.830 19.009 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.048 3.559 20.846 1.00 0.00 H new ATOM 0 HB3 SER A 93 55.796 5.287 20.989 1.00 0.00 H new ATOM 0 HG SER A 93 53.809 4.088 21.220 1.00 0.00 H new ATOM 41 N GLU A 94 56.584 2.272 18.561 1.00 0.00 N ATOM 42 CA GLU A 94 56.456 0.989 17.876 1.00 0.00 C ATOM 43 C GLU A 94 54.992 0.694 17.572 1.00 0.00 C ATOM 44 O GLU A 94 54.652 0.210 16.492 1.00 0.00 O ATOM 45 CB GLU A 94 57.026 -0.137 18.740 1.00 0.00 C ATOM 46 CG GLU A 94 58.500 -0.353 18.387 1.00 0.00 C ATOM 47 CD GLU A 94 59.372 0.035 19.577 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.240 -0.595 20.613 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.160 0.955 19.434 1.00 0.00 O ATOM 0 H GLU A 94 57.235 2.274 19.346 1.00 0.00 H new ATOM 0 HA GLU A 94 57.016 1.046 16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 94 56.927 0.114 19.796 1.00 0.00 H new ATOM 0 HB3 GLU A 94 56.463 -1.056 18.577 1.00 0.00 H new ATOM 0 HG2 GLU A 94 58.672 -1.396 18.122 1.00 0.00 H new ATOM 0 HG3 GLU A 94 58.768 0.246 17.516 1.00 0.00 H new ATOM 56 N GLU A 95 54.126 0.997 18.536 1.00 0.00 N ATOM 57 CA GLU A 95 52.696 0.766 18.359 1.00 0.00 C ATOM 58 C GLU A 95 52.230 1.358 17.035 1.00 0.00 C ATOM 59 O GLU A 95 51.375 0.795 16.350 1.00 0.00 O ATOM 60 CB GLU A 95 51.903 1.409 19.500 1.00 0.00 C ATOM 61 CG GLU A 95 50.708 0.522 19.854 1.00 0.00 C ATOM 62 CD GLU A 95 49.595 1.381 20.444 1.00 0.00 C ATOM 63 OE1 GLU A 95 49.709 2.594 20.374 1.00 0.00 O ATOM 64 OE2 GLU A 95 48.645 0.814 20.959 1.00 0.00 O ATOM 0 H GLU A 95 54.386 1.398 19.437 1.00 0.00 H new ATOM 0 HA GLU A 95 52.522 -0.310 18.362 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.543 1.541 20.373 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.559 2.400 19.205 1.00 0.00 H new ATOM 0 HG2 GLU A 95 50.350 0.004 18.964 1.00 0.00 H new ATOM 0 HG3 GLU A 95 51.009 -0.244 20.569 1.00 0.00 H new ATOM 71 N GLU A 96 52.807 2.503 16.680 1.00 0.00 N ATOM 72 CA GLU A 96 52.452 3.170 15.433 1.00 0.00 C ATOM 73 C GLU A 96 53.171 2.514 14.259 1.00 0.00 C ATOM 74 O GLU A 96 52.581 2.276 13.205 1.00 0.00 O ATOM 75 CB GLU A 96 52.833 4.651 15.488 1.00 0.00 C ATOM 76 CG GLU A 96 51.571 5.496 15.670 1.00 0.00 C ATOM 77 CD GLU A 96 50.963 5.214 17.039 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.635 5.464 18.026 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.835 4.752 17.081 1.00 0.00 O ATOM 0 H GLU A 96 53.516 2.984 17.233 1.00 0.00 H new ATOM 0 HA GLU A 96 51.374 3.080 15.297 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.525 4.829 16.311 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.348 4.939 14.571 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.813 6.555 15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 96 50.850 5.266 14.886 1.00 0.00 H new ATOM 86 N LEU A 97 54.453 2.219 14.456 1.00 0.00 N ATOM 87 CA LEU A 97 55.244 1.585 13.405 1.00 0.00 C ATOM 88 C LEU A 97 54.527 0.345 12.886 1.00 0.00 C ATOM 89 O LEU A 97 54.378 0.156 11.679 1.00 0.00 O ATOM 90 CB LEU A 97 56.623 1.182 13.934 1.00 0.00 C ATOM 91 CG LEU A 97 57.250 2.357 14.689 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.743 2.092 14.897 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.074 3.643 13.878 1.00 0.00 C ATOM 0 H LEU A 97 54.961 2.405 15.321 1.00 0.00 H new ATOM 0 HA LEU A 97 55.369 2.304 12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.532 0.320 14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.267 0.883 13.107 1.00 0.00 H new ATOM 0 HG LEU A 97 56.759 2.466 15.656 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.190 2.929 15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.873 1.178 15.476 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.231 1.981 13.929 1.00 0.00 H new ATOM 0 HD21 LEU A 97 57.521 4.478 14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.563 3.533 12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.012 3.836 13.727 1.00 0.00 H new ATOM 105 N SER A 98 54.078 -0.496 13.814 1.00 0.00 N ATOM 106 CA SER A 98 53.369 -1.714 13.437 1.00 0.00 C ATOM 107 C SER A 98 52.317 -1.395 12.383 1.00 0.00 C ATOM 108 O SER A 98 52.126 -2.145 11.425 1.00 0.00 O ATOM 109 CB SER A 98 52.687 -2.340 14.655 1.00 0.00 C ATOM 110 OG SER A 98 51.697 -1.447 15.148 1.00 0.00 O ATOM 0 H SER A 98 54.190 -0.359 14.819 1.00 0.00 H new ATOM 0 HA SER A 98 54.093 -2.421 13.033 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.231 -3.292 14.382 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.423 -2.550 15.431 1.00 0.00 H new ATOM 0 HG SER A 98 52.129 -0.641 15.499 1.00 0.00 H new ATOM 116 N ASP A 99 51.642 -0.263 12.568 1.00 0.00 N ATOM 117 CA ASP A 99 50.614 0.164 11.625 1.00 0.00 C ATOM 118 C ASP A 99 51.260 0.640 10.328 1.00 0.00 C ATOM 119 O ASP A 99 50.661 0.572 9.256 1.00 0.00 O ATOM 120 CB ASP A 99 49.781 1.302 12.217 1.00 0.00 C ATOM 121 CG ASP A 99 48.334 0.847 12.369 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.127 -0.329 12.618 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.455 1.681 12.234 1.00 0.00 O ATOM 0 H ASP A 99 51.787 0.369 13.355 1.00 0.00 H new ATOM 0 HA ASP A 99 49.964 -0.687 11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.184 1.596 13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.832 2.178 11.571 1.00 0.00 H new ATOM 128 N LEU A 100 52.497 1.119 10.441 1.00 0.00 N ATOM 129 CA LEU A 100 53.228 1.601 9.272 1.00 0.00 C ATOM 130 C LEU A 100 53.782 0.423 8.481 1.00 0.00 C ATOM 131 O LEU A 100 53.552 0.297 7.278 1.00 0.00 O ATOM 132 CB LEU A 100 54.387 2.504 9.697 1.00 0.00 C ATOM 133 CG LEU A 100 54.251 3.865 9.015 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.338 4.808 9.534 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.405 3.694 7.502 1.00 0.00 C ATOM 0 H LEU A 100 53.010 1.183 11.320 1.00 0.00 H new ATOM 0 HA LEU A 100 52.538 2.171 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.388 2.627 10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.338 2.044 9.428 1.00 0.00 H new ATOM 0 HG LEU A 100 53.270 4.285 9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.241 5.778 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 100 55.230 4.930 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.319 4.388 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.308 4.664 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.386 3.273 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 100 53.631 3.023 7.131 1.00 0.00 H new ATOM 147 N PHE A 101 54.512 -0.443 9.176 1.00 0.00 N ATOM 148 CA PHE A 101 55.096 -1.620 8.541 1.00 0.00 C ATOM 149 C PHE A 101 53.989 -2.510 7.984 1.00 0.00 C ATOM 150 O PHE A 101 54.210 -3.310 7.074 1.00 0.00 O ATOM 151 CB PHE A 101 55.923 -2.412 9.557 1.00 0.00 C ATOM 152 CG PHE A 101 56.779 -3.438 8.849 1.00 0.00 C ATOM 153 CD1 PHE A 101 57.398 -3.126 7.632 1.00 0.00 C ATOM 154 CD2 PHE A 101 56.957 -4.705 9.418 1.00 0.00 C ATOM 155 CE1 PHE A 101 58.194 -4.080 6.986 1.00 0.00 C ATOM 156 CE2 PHE A 101 57.752 -5.659 8.771 1.00 0.00 C ATOM 157 CZ PHE A 101 58.370 -5.346 7.555 1.00 0.00 C ATOM 0 H PHE A 101 54.713 -0.354 10.172 1.00 0.00 H new ATOM 0 HA PHE A 101 55.745 -1.294 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.555 -1.734 10.130 1.00 0.00 H new ATOM 0 HB3 PHE A 101 55.262 -2.908 10.268 1.00 0.00 H new ATOM 0 HD1 PHE A 101 57.261 -2.149 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 101 56.481 -4.947 10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 101 58.672 -3.838 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 101 57.888 -6.636 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.983 -6.082 7.056 1.00 0.00 H new ATOM 167 N ARG A 102 52.792 -2.353 8.543 1.00 0.00 N ATOM 168 CA ARG A 102 51.640 -3.136 8.104 1.00 0.00 C ATOM 169 C ARG A 102 51.045 -2.538 6.833 1.00 0.00 C ATOM 170 O ARG A 102 51.045 -3.167 5.775 1.00 0.00 O ATOM 171 CB ARG A 102 50.569 -3.160 9.198 1.00 0.00 C ATOM 172 CG ARG A 102 49.320 -3.884 8.688 1.00 0.00 C ATOM 173 CD ARG A 102 48.074 -3.205 9.259 1.00 0.00 C ATOM 174 NE ARG A 102 48.217 -2.998 10.697 1.00 0.00 N ATOM 175 CZ ARG A 102 48.000 -3.989 11.557 1.00 0.00 C ATOM 176 NH1 ARG A 102 47.647 -5.167 11.120 1.00 0.00 N ATOM 177 NH2 ARG A 102 48.141 -3.785 12.838 1.00 0.00 N ATOM 0 H ARG A 102 52.595 -1.695 9.297 1.00 0.00 H new ATOM 0 HA ARG A 102 51.975 -4.153 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.954 -3.662 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.315 -2.142 9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 102 49.293 -3.863 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.346 -4.932 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.914 -2.248 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.195 -3.818 9.060 1.00 0.00 H new ATOM 0 HE ARG A 102 48.488 -2.079 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.538 -5.328 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 102 47.481 -5.927 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 102 48.418 -2.865 13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 102 47.974 -4.546 13.497 1.00 0.00 H new ATOM 191 N MET A 103 50.537 -1.314 6.951 1.00 0.00 N ATOM 192 CA MET A 103 49.938 -0.635 5.804 1.00 0.00 C ATOM 193 C MET A 103 50.794 -0.846 4.561 1.00 0.00 C ATOM 194 O MET A 103 50.282 -0.957 3.447 1.00 0.00 O ATOM 195 CB MET A 103 49.813 0.865 6.074 1.00 0.00 C ATOM 196 CG MET A 103 51.173 1.424 6.497 1.00 0.00 C ATOM 197 SD MET A 103 50.999 3.173 6.933 1.00 0.00 S ATOM 198 CE MET A 103 51.854 3.855 5.491 1.00 0.00 C ATOM 0 H MET A 103 50.527 -0.777 7.818 1.00 0.00 H new ATOM 0 HA MET A 103 48.946 -1.056 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.460 1.378 5.179 1.00 0.00 H new ATOM 0 HB3 MET A 103 49.075 1.044 6.856 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.560 0.863 7.348 1.00 0.00 H new ATOM 0 HG3 MET A 103 51.893 1.310 5.686 1.00 0.00 H new ATOM 0 HE1 MET A 103 52.287 4.822 5.748 1.00 0.00 H new ATOM 0 HE2 MET A 103 52.647 3.174 5.182 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.144 3.981 4.673 1.00 0.00 H new ATOM 208 N PHE A 104 52.106 -0.903 4.767 1.00 0.00 N ATOM 209 CA PHE A 104 53.034 -1.106 3.659 1.00 0.00 C ATOM 210 C PHE A 104 52.832 -2.489 3.050 1.00 0.00 C ATOM 211 O PHE A 104 52.826 -2.654 1.830 1.00 0.00 O ATOM 212 CB PHE A 104 54.480 -0.977 4.142 1.00 0.00 C ATOM 213 CG PHE A 104 55.320 -0.340 3.062 1.00 0.00 C ATOM 214 CD1 PHE A 104 55.301 -0.858 1.762 1.00 0.00 C ATOM 215 CD2 PHE A 104 56.120 0.770 3.361 1.00 0.00 C ATOM 216 CE1 PHE A 104 56.080 -0.267 0.760 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.899 1.362 2.360 1.00 0.00 C ATOM 218 CZ PHE A 104 56.879 0.844 1.059 1.00 0.00 C ATOM 0 H PHE A 104 52.548 -0.812 5.682 1.00 0.00 H new ATOM 0 HA PHE A 104 52.837 -0.343 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.518 -0.374 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.879 -1.960 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.685 -1.714 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 104 56.136 1.169 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 104 56.065 -0.667 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 104 57.515 2.218 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 104 57.479 1.301 0.286 1.00 0.00 H new ATOM 228 N ASP A 105 52.666 -3.483 3.919 1.00 0.00 N ATOM 229 CA ASP A 105 52.462 -4.855 3.465 1.00 0.00 C ATOM 230 C ASP A 105 51.135 -4.982 2.724 1.00 0.00 C ATOM 231 O ASP A 105 50.067 -5.019 3.335 1.00 0.00 O ATOM 232 CB ASP A 105 52.462 -5.816 4.656 1.00 0.00 C ATOM 233 CG ASP A 105 53.890 -6.266 4.946 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.661 -6.366 4.006 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.191 -6.504 6.104 1.00 0.00 O ATOM 0 H ASP A 105 52.669 -3.366 4.932 1.00 0.00 H new ATOM 0 HA ASP A 105 53.279 -5.111 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 105 52.039 -5.326 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.834 -6.680 4.440 1.00 0.00 H new ATOM 240 N LYS A 106 51.215 -5.047 1.398 1.00 0.00 N ATOM 241 CA LYS A 106 50.013 -5.169 0.576 1.00 0.00 C ATOM 242 C LYS A 106 49.560 -6.625 0.492 1.00 0.00 C ATOM 243 O LYS A 106 48.615 -6.954 -0.224 1.00 0.00 O ATOM 244 CB LYS A 106 50.275 -4.647 -0.837 1.00 0.00 C ATOM 245 CG LYS A 106 50.167 -3.121 -0.845 1.00 0.00 C ATOM 246 CD LYS A 106 48.711 -2.710 -0.616 1.00 0.00 C ATOM 247 CE LYS A 106 47.805 -3.474 -1.583 1.00 0.00 C ATOM 248 NZ LYS A 106 46.514 -2.745 -1.735 1.00 0.00 N ATOM 0 H LYS A 106 52.089 -5.018 0.873 1.00 0.00 H new ATOM 0 HA LYS A 106 49.229 -4.575 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 106 51.266 -4.954 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.556 -5.077 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.802 -2.697 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.522 -2.726 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.421 -2.920 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 106 48.597 -1.636 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 106 48.294 -3.576 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 106 47.624 -4.482 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 45.898 -3.264 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 46.047 -2.669 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 46.695 -1.792 -2.110 1.00 0.00 H new ATOM 262 N ASN A 107 50.243 -7.496 1.233 1.00 0.00 N ATOM 263 CA ASN A 107 49.896 -8.915 1.234 1.00 0.00 C ATOM 264 C ASN A 107 49.995 -9.488 2.644 1.00 0.00 C ATOM 265 O ASN A 107 49.970 -10.704 2.838 1.00 0.00 O ATOM 266 CB ASN A 107 50.834 -9.697 0.312 1.00 0.00 C ATOM 267 CG ASN A 107 52.217 -9.788 0.948 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.649 -10.866 1.357 1.00 0.00 O ATOM 269 ND2 ASN A 107 52.944 -8.711 1.056 1.00 0.00 N ATOM 0 H ASN A 107 51.030 -7.248 1.833 1.00 0.00 H new ATOM 0 HA ASN A 107 48.871 -9.010 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 107 50.437 -10.697 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 107 50.900 -9.205 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 107 53.871 -8.762 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 107 52.586 -7.818 0.717 1.00 0.00 H new ATOM 276 N ALA A 108 50.108 -8.599 3.627 1.00 0.00 N ATOM 277 CA ALA A 108 50.211 -9.027 5.019 1.00 0.00 C ATOM 278 C ALA A 108 51.138 -10.231 5.135 1.00 0.00 C ATOM 279 O ALA A 108 50.700 -11.381 5.085 1.00 0.00 O ATOM 280 CB ALA A 108 48.836 -9.403 5.570 1.00 0.00 C ATOM 0 H ALA A 108 50.130 -7.589 3.488 1.00 0.00 H new ATOM 0 HA ALA A 108 50.616 -8.196 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.934 -9.719 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.173 -8.539 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.418 -10.219 4.980 1.00 0.00 H new ATOM 286 N ASP A 109 52.428 -9.951 5.287 1.00 0.00 N ATOM 287 CA ASP A 109 53.422 -11.015 5.407 1.00 0.00 C ATOM 288 C ASP A 109 54.496 -10.634 6.421 1.00 0.00 C ATOM 289 O ASP A 109 54.971 -11.472 7.188 1.00 0.00 O ATOM 290 CB ASP A 109 54.088 -11.276 4.055 1.00 0.00 C ATOM 291 CG ASP A 109 54.657 -9.971 3.510 1.00 0.00 C ATOM 292 OD1 ASP A 109 53.941 -8.984 3.523 1.00 0.00 O ATOM 293 OD2 ASP A 109 55.802 -9.978 3.087 1.00 0.00 O ATOM 0 H ASP A 109 52.809 -9.006 5.330 1.00 0.00 H new ATOM 0 HA ASP A 109 52.909 -11.916 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 109 54.883 -12.014 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.363 -11.690 3.354 1.00 0.00 H new ATOM 298 N GLY A 110 54.876 -9.360 6.412 1.00 0.00 N ATOM 299 CA GLY A 110 55.900 -8.874 7.331 1.00 0.00 C ATOM 300 C GLY A 110 57.162 -8.480 6.569 1.00 0.00 C ATOM 301 O GLY A 110 58.220 -8.263 7.160 1.00 0.00 O ATOM 0 H GLY A 110 54.495 -8.651 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.521 -8.016 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.137 -9.647 8.062 1.00 0.00 H new ATOM 305 N TYR A 111 57.036 -8.393 5.247 1.00 0.00 N ATOM 306 CA TYR A 111 58.171 -8.027 4.405 1.00 0.00 C ATOM 307 C TYR A 111 57.692 -7.282 3.164 1.00 0.00 C ATOM 308 O TYR A 111 56.847 -7.774 2.416 1.00 0.00 O ATOM 309 CB TYR A 111 58.936 -9.275 3.964 1.00 0.00 C ATOM 310 CG TYR A 111 59.371 -10.058 5.177 1.00 0.00 C ATOM 311 CD1 TYR A 111 58.499 -10.983 5.762 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.647 -9.860 5.716 1.00 0.00 C ATOM 313 CE1 TYR A 111 58.903 -11.711 6.887 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.052 -10.589 6.841 1.00 0.00 C ATOM 315 CZ TYR A 111 60.179 -11.514 7.427 1.00 0.00 C ATOM 316 OH TYR A 111 60.578 -12.233 8.536 1.00 0.00 O ATOM 0 H TYR A 111 56.169 -8.569 4.740 1.00 0.00 H new ATOM 0 HA TYR A 111 58.829 -7.384 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.305 -9.894 3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.806 -8.990 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 111 57.514 -11.135 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.319 -9.145 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 111 58.230 -12.425 7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.037 -10.438 7.257 1.00 0.00 H new ATOM 0 HH TYR A 111 61.491 -11.976 8.781 1.00 0.00 H new ATOM 326 N ILE A 112 58.245 -6.093 2.950 1.00 0.00 N ATOM 327 CA ILE A 112 57.869 -5.292 1.791 1.00 0.00 C ATOM 328 C ILE A 112 58.897 -5.459 0.680 1.00 0.00 C ATOM 329 O ILE A 112 60.098 -5.556 0.932 1.00 0.00 O ATOM 330 CB ILE A 112 57.772 -3.812 2.163 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.592 -3.607 3.114 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.558 -2.975 0.898 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.092 -2.987 4.418 1.00 0.00 C ATOM 0 H ILE A 112 58.946 -5.667 3.555 1.00 0.00 H new ATOM 0 HA ILE A 112 56.895 -5.638 1.445 1.00 0.00 H new ATOM 0 HB ILE A 112 58.695 -3.499 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.847 -2.959 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 112 56.104 -4.560 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.489 -1.921 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.397 -3.122 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.635 -3.285 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.252 -2.840 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.821 -3.652 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.561 -2.026 4.208 1.00 0.00 H new ATOM 345 N ASP A 113 58.409 -5.486 -0.554 1.00 0.00 N ATOM 346 CA ASP A 113 59.289 -5.638 -1.708 1.00 0.00 C ATOM 347 C ASP A 113 59.089 -4.477 -2.675 1.00 0.00 C ATOM 348 O ASP A 113 58.681 -3.386 -2.279 1.00 0.00 O ATOM 349 CB ASP A 113 59.005 -6.957 -2.432 1.00 0.00 C ATOM 350 CG ASP A 113 57.678 -6.856 -3.176 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.815 -6.129 -2.714 1.00 0.00 O ATOM 352 OD2 ASP A 113 57.544 -7.511 -4.197 1.00 0.00 O ATOM 0 H ASP A 113 57.418 -5.406 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 113 60.320 -5.643 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.810 -7.180 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.970 -7.777 -1.715 1.00 0.00 H new ATOM 357 N LEU A 114 59.382 -4.721 -3.948 1.00 0.00 N ATOM 358 CA LEU A 114 59.231 -3.681 -4.961 1.00 0.00 C ATOM 359 C LEU A 114 57.786 -3.612 -5.447 1.00 0.00 C ATOM 360 O LEU A 114 57.167 -2.549 -5.450 1.00 0.00 O ATOM 361 CB LEU A 114 60.146 -3.960 -6.156 1.00 0.00 C ATOM 362 CG LEU A 114 60.436 -2.652 -6.893 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.378 -1.790 -6.051 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.096 -2.962 -8.239 1.00 0.00 C ATOM 0 H LEU A 114 59.721 -5.616 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 114 59.506 -2.729 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.078 -4.413 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.673 -4.673 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 114 59.503 -2.114 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 114 61.585 -0.858 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 114 60.910 -1.570 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.312 -2.327 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.303 -2.030 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.029 -3.500 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.426 -3.577 -8.840 1.00 0.00 H new ATOM 376 N GLU A 115 57.259 -4.760 -5.862 1.00 0.00 N ATOM 377 CA GLU A 115 55.886 -4.826 -6.356 1.00 0.00 C ATOM 378 C GLU A 115 54.928 -4.137 -5.387 1.00 0.00 C ATOM 379 O GLU A 115 53.951 -3.512 -5.799 1.00 0.00 O ATOM 380 CB GLU A 115 55.450 -6.282 -6.530 1.00 0.00 C ATOM 381 CG GLU A 115 56.241 -6.918 -7.674 1.00 0.00 C ATOM 382 CD GLU A 115 56.539 -8.375 -7.338 1.00 0.00 C ATOM 383 OE1 GLU A 115 57.558 -8.622 -6.715 1.00 0.00 O ATOM 384 OE2 GLU A 115 55.743 -9.223 -7.708 1.00 0.00 O ATOM 0 H GLU A 115 57.756 -5.651 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 115 55.855 -4.316 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.617 -6.836 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.382 -6.330 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.672 -6.857 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.171 -6.373 -7.834 1.00 0.00 H new ATOM 391 N GLU A 116 55.215 -4.265 -4.095 1.00 0.00 N ATOM 392 CA GLU A 116 54.365 -3.657 -3.074 1.00 0.00 C ATOM 393 C GLU A 116 54.741 -2.195 -2.850 1.00 0.00 C ATOM 394 O GLU A 116 53.942 -1.405 -2.347 1.00 0.00 O ATOM 395 CB GLU A 116 54.496 -4.414 -1.751 1.00 0.00 C ATOM 396 CG GLU A 116 54.100 -5.877 -1.959 1.00 0.00 C ATOM 397 CD GLU A 116 54.453 -6.684 -0.714 1.00 0.00 C ATOM 398 OE1 GLU A 116 53.788 -6.504 0.293 1.00 0.00 O ATOM 399 OE2 GLU A 116 55.383 -7.470 -0.786 1.00 0.00 O ATOM 0 H GLU A 116 56.019 -4.777 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 116 53.335 -3.710 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.521 -4.352 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.858 -3.958 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.031 -5.950 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.617 -6.284 -2.828 1.00 0.00 H new ATOM 406 N LEU A 117 55.967 -1.844 -3.225 1.00 0.00 N ATOM 407 CA LEU A 117 56.441 -0.472 -3.059 1.00 0.00 C ATOM 408 C LEU A 117 55.721 0.465 -4.026 1.00 0.00 C ATOM 409 O LEU A 117 55.306 1.563 -3.656 1.00 0.00 O ATOM 410 CB LEU A 117 57.946 -0.392 -3.320 1.00 0.00 C ATOM 411 CG LEU A 117 58.656 0.124 -2.068 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.923 -0.697 -1.826 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.032 1.594 -2.267 1.00 0.00 C ATOM 0 H LEU A 117 56.645 -2.482 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 117 56.231 -0.167 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.331 -1.375 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.145 0.271 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 117 57.993 0.030 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.430 -0.330 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.657 -1.745 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.587 -0.603 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.538 1.964 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.696 1.687 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.130 2.180 -2.441 1.00 0.00 H new ATOM 425 N LYS A 118 55.584 0.017 -5.270 1.00 0.00 N ATOM 426 CA LYS A 118 54.918 0.821 -6.292 1.00 0.00 C ATOM 427 C LYS A 118 53.502 1.186 -5.857 1.00 0.00 C ATOM 428 O LYS A 118 52.918 2.153 -6.347 1.00 0.00 O ATOM 429 CB LYS A 118 54.850 0.056 -7.615 1.00 0.00 C ATOM 430 CG LYS A 118 56.258 -0.085 -8.196 1.00 0.00 C ATOM 431 CD LYS A 118 56.401 -1.456 -8.860 1.00 0.00 C ATOM 432 CE LYS A 118 57.685 -1.490 -9.690 1.00 0.00 C ATOM 433 NZ LYS A 118 57.553 -2.510 -10.768 1.00 0.00 N ATOM 0 H LYS A 118 55.921 -0.889 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 118 55.499 1.733 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.411 -0.929 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.206 0.583 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.443 0.705 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.002 0.028 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.425 -2.238 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 118 55.539 -1.655 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 118 57.876 -0.509 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.537 -1.727 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.426 -2.533 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.390 -3.445 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.750 -2.264 -11.382 1.00 0.00 H new ATOM 447 N ILE A 119 52.953 0.402 -4.933 1.00 0.00 N ATOM 448 CA ILE A 119 51.600 0.657 -4.445 1.00 0.00 C ATOM 449 C ILE A 119 51.570 1.917 -3.584 1.00 0.00 C ATOM 450 O ILE A 119 50.743 2.806 -3.788 1.00 0.00 O ATOM 451 CB ILE A 119 51.089 -0.521 -3.612 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.626 -1.834 -4.187 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.560 -0.540 -3.648 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.413 -1.855 -5.701 1.00 0.00 C ATOM 0 H ILE A 119 53.416 -0.404 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 119 50.957 0.790 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 119 51.432 -0.411 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 119 52.687 -1.937 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.117 -2.680 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.192 -1.378 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.175 0.393 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.222 -0.648 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.796 -2.790 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 119 50.348 -1.772 -5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 119 51.943 -1.017 -6.155 1.00 0.00 H new ATOM 466 N MET A 120 52.479 1.979 -2.616 1.00 0.00 N ATOM 467 CA MET A 120 52.550 3.130 -1.720 1.00 0.00 C ATOM 468 C MET A 120 52.841 4.407 -2.503 1.00 0.00 C ATOM 469 O MET A 120 52.513 5.510 -2.063 1.00 0.00 O ATOM 470 CB MET A 120 53.647 2.927 -0.674 1.00 0.00 C ATOM 471 CG MET A 120 53.125 3.348 0.701 1.00 0.00 C ATOM 472 SD MET A 120 54.500 3.403 1.877 1.00 0.00 S ATOM 473 CE MET A 120 54.241 5.101 2.446 1.00 0.00 C ATOM 0 H MET A 120 53.171 1.253 -2.432 1.00 0.00 H new ATOM 0 HA MET A 120 51.585 3.224 -1.223 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.956 1.882 -0.653 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.527 3.514 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 120 52.648 4.326 0.637 1.00 0.00 H new ATOM 0 HG3 MET A 120 52.366 2.645 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 120 55.197 5.537 2.737 1.00 0.00 H new ATOM 0 HE2 MET A 120 53.802 5.691 1.642 1.00 0.00 H new ATOM 0 HE3 MET A 120 53.568 5.099 3.303 1.00 0.00 H new ATOM 483 N LEU A 121 53.460 4.248 -3.669 1.00 0.00 N ATOM 484 CA LEU A 121 53.792 5.399 -4.505 1.00 0.00 C ATOM 485 C LEU A 121 52.668 5.679 -5.497 1.00 0.00 C ATOM 486 O LEU A 121 52.069 6.755 -5.494 1.00 0.00 O ATOM 487 CB LEU A 121 55.086 5.145 -5.281 1.00 0.00 C ATOM 488 CG LEU A 121 56.128 4.521 -4.351 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.396 4.208 -5.146 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.462 5.504 -3.227 1.00 0.00 C ATOM 0 H LEU A 121 53.739 3.346 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 121 53.925 6.260 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.892 4.481 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.465 6.081 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 121 55.729 3.601 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.140 3.763 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.159 3.509 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.794 5.128 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.204 5.060 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.861 6.424 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.558 5.730 -2.661 1.00 0.00 H new ATOM 502 N GLN A 122 52.391 4.695 -6.349 1.00 0.00 N ATOM 503 CA GLN A 122 51.338 4.838 -7.351 1.00 0.00 C ATOM 504 C GLN A 122 50.012 5.203 -6.691 1.00 0.00 C ATOM 505 O GLN A 122 49.111 5.746 -7.332 1.00 0.00 O ATOM 506 CB GLN A 122 51.162 3.533 -8.129 1.00 0.00 C ATOM 507 CG GLN A 122 50.790 3.848 -9.579 1.00 0.00 C ATOM 508 CD GLN A 122 50.717 2.552 -10.378 1.00 0.00 C ATOM 509 OE1 GLN A 122 49.742 2.307 -11.088 1.00 0.00 O ATOM 510 NE2 GLN A 122 51.702 1.698 -10.304 1.00 0.00 N ATOM 0 H GLN A 122 52.876 3.798 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 122 51.633 5.635 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 122 52.083 2.951 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.385 2.924 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 122 49.831 4.365 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 122 51.530 4.517 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 122 52.510 1.901 -9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 122 51.663 0.828 -10.835 1.00 0.00 H new ATOM 519 N ALA A 123 49.900 4.897 -5.401 1.00 0.00 N ATOM 520 CA ALA A 123 48.677 5.195 -4.661 1.00 0.00 C ATOM 521 C ALA A 123 48.744 6.594 -4.056 1.00 0.00 C ATOM 522 O ALA A 123 47.737 7.138 -3.602 1.00 0.00 O ATOM 523 CB ALA A 123 48.469 4.176 -3.539 1.00 0.00 C ATOM 0 H ALA A 123 50.632 4.448 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 123 47.842 5.143 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.553 4.413 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.390 3.176 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.315 4.212 -2.853 1.00 0.00 H new ATOM 529 N THR A 124 49.942 7.171 -4.056 1.00 0.00 N ATOM 530 CA THR A 124 50.132 8.509 -3.504 1.00 0.00 C ATOM 531 C THR A 124 50.230 9.538 -4.626 1.00 0.00 C ATOM 532 O THR A 124 51.232 10.240 -4.761 1.00 0.00 O ATOM 533 CB THR A 124 51.410 8.564 -2.663 1.00 0.00 C ATOM 534 OG1 THR A 124 52.421 7.790 -3.293 1.00 0.00 O ATOM 535 CG2 THR A 124 51.129 8.003 -1.269 1.00 0.00 C ATOM 0 H THR A 124 50.788 6.739 -4.428 1.00 0.00 H new ATOM 0 HA THR A 124 49.273 8.739 -2.874 1.00 0.00 H new ATOM 0 HB THR A 124 51.745 9.598 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 124 52.351 7.890 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 124 52.039 8.042 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 124 50.352 8.597 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 124 50.795 6.969 -1.354 1.00 0.00 H new ATOM 543 N GLY A 125 49.174 9.619 -5.431 1.00 0.00 N ATOM 544 CA GLY A 125 49.146 10.566 -6.543 1.00 0.00 C ATOM 545 C GLY A 125 50.001 10.068 -7.705 1.00 0.00 C ATOM 546 O GLY A 125 50.124 10.736 -8.732 1.00 0.00 O ATOM 0 H GLY A 125 48.335 9.047 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 125 48.119 10.710 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 125 49.511 11.537 -6.208 1.00 0.00 H new ATOM 550 N GLU A 126 50.591 8.887 -7.534 1.00 0.00 N ATOM 551 CA GLU A 126 51.433 8.311 -8.580 1.00 0.00 C ATOM 552 C GLU A 126 52.275 9.398 -9.242 1.00 0.00 C ATOM 553 O GLU A 126 52.550 9.347 -10.441 1.00 0.00 O ATOM 554 CB GLU A 126 50.581 7.617 -9.651 1.00 0.00 C ATOM 555 CG GLU A 126 49.159 8.187 -9.644 1.00 0.00 C ATOM 556 CD GLU A 126 48.240 7.271 -10.444 1.00 0.00 C ATOM 557 OE1 GLU A 126 48.052 6.140 -10.025 1.00 0.00 O ATOM 558 OE2 GLU A 126 47.738 7.713 -11.464 1.00 0.00 O ATOM 0 H GLU A 126 50.504 8.317 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 126 52.086 7.574 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.032 7.757 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.552 6.544 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.797 8.278 -8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 126 49.155 9.189 -10.074 1.00 0.00 H new ATOM 565 N THR A 127 52.684 10.381 -8.444 1.00 0.00 N ATOM 566 CA THR A 127 53.499 11.478 -8.960 1.00 0.00 C ATOM 567 C THR A 127 54.979 11.191 -8.729 1.00 0.00 C ATOM 568 O THR A 127 55.749 12.079 -8.360 1.00 0.00 O ATOM 569 CB THR A 127 53.133 12.794 -8.268 1.00 0.00 C ATOM 570 OG1 THR A 127 53.406 12.689 -6.876 1.00 0.00 O ATOM 571 CG2 THR A 127 51.647 13.090 -8.483 1.00 0.00 C ATOM 0 H THR A 127 52.468 10.441 -7.449 1.00 0.00 H new ATOM 0 HA THR A 127 53.305 11.567 -10.029 1.00 0.00 H new ATOM 0 HB THR A 127 53.725 13.605 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 127 53.174 13.532 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 127 51.388 14.027 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 127 51.443 13.173 -9.551 1.00 0.00 H new ATOM 0 HG23 THR A 127 51.050 12.281 -8.062 1.00 0.00 H new ATOM 579 N ILE A 128 55.367 9.939 -8.949 1.00 0.00 N ATOM 580 CA ILE A 128 56.759 9.538 -8.762 1.00 0.00 C ATOM 581 C ILE A 128 57.267 8.787 -9.989 1.00 0.00 C ATOM 582 O ILE A 128 56.529 8.035 -10.625 1.00 0.00 O ATOM 583 CB ILE A 128 56.895 8.635 -7.535 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.644 9.456 -6.269 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.306 8.044 -7.487 1.00 0.00 C ATOM 586 CD1 ILE A 128 55.368 8.961 -5.586 1.00 0.00 C ATOM 0 H ILE A 128 54.745 9.190 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 128 57.352 10.441 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 128 56.166 7.827 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.492 9.365 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.549 10.512 -6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.402 7.401 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.486 7.459 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.036 8.851 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 128 55.188 9.545 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 128 54.524 9.074 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 128 55.482 7.910 -5.321 1.00 0.00 H new ATOM 598 N THR A 129 58.539 9.001 -10.312 1.00 0.00 N ATOM 599 CA THR A 129 59.144 8.340 -11.464 1.00 0.00 C ATOM 600 C THR A 129 59.777 7.017 -11.047 1.00 0.00 C ATOM 601 O THR A 129 59.634 6.576 -9.907 1.00 0.00 O ATOM 602 CB THR A 129 60.221 9.229 -12.088 1.00 0.00 C ATOM 603 OG1 THR A 129 61.323 9.329 -11.196 1.00 0.00 O ATOM 604 CG2 THR A 129 59.647 10.622 -12.351 1.00 0.00 C ATOM 0 H THR A 129 59.166 9.621 -9.798 1.00 0.00 H new ATOM 0 HA THR A 129 58.357 8.154 -12.195 1.00 0.00 H new ATOM 0 HB THR A 129 60.553 8.793 -13.030 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.942 10.018 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 129 60.416 11.254 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 129 58.801 10.544 -13.034 1.00 0.00 H new ATOM 0 HG23 THR A 129 59.314 11.062 -11.411 1.00 0.00 H new ATOM 612 N GLU A 130 60.481 6.392 -11.986 1.00 0.00 N ATOM 613 CA GLU A 130 61.138 5.118 -11.710 1.00 0.00 C ATOM 614 C GLU A 130 62.458 5.342 -10.974 1.00 0.00 C ATOM 615 O GLU A 130 63.212 4.401 -10.726 1.00 0.00 O ATOM 616 CB GLU A 130 61.419 4.370 -13.014 1.00 0.00 C ATOM 617 CG GLU A 130 60.515 3.139 -13.105 1.00 0.00 C ATOM 618 CD GLU A 130 59.458 3.363 -14.180 1.00 0.00 C ATOM 619 OE1 GLU A 130 59.809 3.311 -15.347 1.00 0.00 O ATOM 620 OE2 GLU A 130 58.313 3.583 -13.821 1.00 0.00 O ATOM 0 H GLU A 130 60.611 6.742 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 130 60.470 4.526 -11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.244 5.026 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.466 4.069 -13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.108 2.256 -13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 130 60.037 2.954 -12.143 1.00 0.00 H new ATOM 627 N ASP A 131 62.730 6.598 -10.628 1.00 0.00 N ATOM 628 CA ASP A 131 63.965 6.931 -9.921 1.00 0.00 C ATOM 629 C ASP A 131 63.778 6.777 -8.415 1.00 0.00 C ATOM 630 O ASP A 131 64.746 6.666 -7.664 1.00 0.00 O ATOM 631 CB ASP A 131 64.386 8.370 -10.226 1.00 0.00 C ATOM 632 CG ASP A 131 65.488 8.366 -11.281 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.167 8.180 -12.443 1.00 0.00 O ATOM 634 OD2 ASP A 131 66.635 8.551 -10.911 1.00 0.00 O ATOM 0 H ASP A 131 62.121 7.393 -10.822 1.00 0.00 H new ATOM 0 HA ASP A 131 64.741 6.246 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.530 8.943 -10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.740 8.857 -9.317 1.00 0.00 H new ATOM 639 N ASP A 132 62.520 6.774 -7.982 1.00 0.00 N ATOM 640 CA ASP A 132 62.216 6.634 -6.560 1.00 0.00 C ATOM 641 C ASP A 132 61.679 5.237 -6.257 1.00 0.00 C ATOM 642 O ASP A 132 61.267 4.946 -5.135 1.00 0.00 O ATOM 643 CB ASP A 132 61.174 7.669 -6.132 1.00 0.00 C ATOM 644 CG ASP A 132 61.857 8.791 -5.358 1.00 0.00 C ATOM 645 OD1 ASP A 132 62.209 8.564 -4.212 1.00 0.00 O ATOM 646 OD2 ASP A 132 62.017 9.861 -5.922 1.00 0.00 O ATOM 0 H ASP A 132 61.703 6.866 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 132 63.140 6.794 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.667 8.074 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.411 7.198 -5.512 1.00 0.00 H new ATOM 651 N ILE A 133 61.686 4.376 -7.272 1.00 0.00 N ATOM 652 CA ILE A 133 61.195 3.012 -7.101 1.00 0.00 C ATOM 653 C ILE A 133 62.314 2.094 -6.616 1.00 0.00 C ATOM 654 O ILE A 133 62.256 1.552 -5.512 1.00 0.00 O ATOM 655 CB ILE A 133 60.645 2.474 -8.423 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.600 3.449 -8.972 1.00 0.00 C ATOM 657 CG2 ILE A 133 59.995 1.110 -8.189 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.366 3.434 -8.070 1.00 0.00 C ATOM 0 H ILE A 133 62.022 4.595 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 133 60.399 3.033 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 133 61.459 2.369 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 133 60.016 4.455 -9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.324 3.169 -9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.603 0.727 -9.131 1.00 0.00 H new ATOM 0 HG22 ILE A 133 60.738 0.416 -7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.180 1.213 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.622 4.128 -8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 133 57.946 2.428 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.649 3.735 -7.061 1.00 0.00 H new ATOM 670 N GLU A 134 63.331 1.923 -7.456 1.00 0.00 N ATOM 671 CA GLU A 134 64.460 1.064 -7.107 1.00 0.00 C ATOM 672 C GLU A 134 65.406 1.783 -6.149 1.00 0.00 C ATOM 673 O GLU A 134 65.808 1.234 -5.123 1.00 0.00 O ATOM 674 CB GLU A 134 65.235 0.659 -8.363 1.00 0.00 C ATOM 675 CG GLU A 134 64.720 -0.692 -8.865 1.00 0.00 C ATOM 676 CD GLU A 134 65.696 -1.261 -9.889 1.00 0.00 C ATOM 677 OE1 GLU A 134 66.862 -0.908 -9.826 1.00 0.00 O ATOM 678 OE2 GLU A 134 65.263 -2.042 -10.721 1.00 0.00 O ATOM 0 H GLU A 134 63.398 2.362 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 134 64.063 0.172 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.115 1.417 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.300 0.595 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 134 64.609 -1.384 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 134 63.734 -0.573 -9.314 1.00 0.00 H new ATOM 685 N GLU A 135 65.757 3.019 -6.495 1.00 0.00 N ATOM 686 CA GLU A 135 66.659 3.805 -5.657 1.00 0.00 C ATOM 687 C GLU A 135 66.145 3.857 -4.222 1.00 0.00 C ATOM 688 O GLU A 135 66.864 3.530 -3.277 1.00 0.00 O ATOM 689 CB GLU A 135 66.782 5.233 -6.192 1.00 0.00 C ATOM 690 CG GLU A 135 68.225 5.715 -6.034 1.00 0.00 C ATOM 691 CD GLU A 135 68.675 6.405 -7.317 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.840 6.602 -8.184 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.848 6.727 -7.414 1.00 0.00 O ATOM 0 H GLU A 135 65.436 3.493 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 135 67.637 3.324 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.489 5.266 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 135 66.105 5.895 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.299 6.404 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.879 4.871 -5.814 1.00 0.00 H new ATOM 700 N LEU A 136 64.892 4.275 -4.071 1.00 0.00 N ATOM 701 CA LEU A 136 64.284 4.371 -2.747 1.00 0.00 C ATOM 702 C LEU A 136 64.218 2.997 -2.087 1.00 0.00 C ATOM 703 O LEU A 136 64.435 2.859 -0.883 1.00 0.00 O ATOM 704 CB LEU A 136 62.868 4.942 -2.851 1.00 0.00 C ATOM 705 CG LEU A 136 62.582 5.830 -1.639 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.112 6.251 -1.651 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.879 5.052 -0.354 1.00 0.00 C ATOM 0 H LEU A 136 64.282 4.550 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 136 64.901 5.034 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.764 5.519 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.141 4.131 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 136 63.215 6.717 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.908 6.884 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 136 60.900 6.805 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.479 5.364 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.675 5.685 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 136 62.247 4.165 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.927 4.752 -0.345 1.00 0.00 H new ATOM 719 N MET A 137 63.915 1.981 -2.890 1.00 0.00 N ATOM 720 CA MET A 137 63.821 0.617 -2.376 1.00 0.00 C ATOM 721 C MET A 137 65.126 0.209 -1.701 1.00 0.00 C ATOM 722 O MET A 137 65.187 0.046 -0.483 1.00 0.00 O ATOM 723 CB MET A 137 63.521 -0.364 -3.511 1.00 0.00 C ATOM 724 CG MET A 137 63.240 -1.750 -2.925 1.00 0.00 C ATOM 725 SD MET A 137 63.568 -3.014 -4.178 1.00 0.00 S ATOM 726 CE MET A 137 62.378 -4.239 -3.580 1.00 0.00 C ATOM 0 H MET A 137 63.732 2.074 -3.889 1.00 0.00 H new ATOM 0 HA MET A 137 63.011 0.589 -1.647 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.662 -0.019 -4.086 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.366 -0.412 -4.198 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.866 -1.920 -2.049 1.00 0.00 H new ATOM 0 HG3 MET A 137 62.204 -1.813 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.399 -5.114 -4.230 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.640 -4.535 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 137 61.377 -3.807 -3.585 1.00 0.00 H new ATOM 736 N LYS A 138 66.168 0.044 -2.510 1.00 0.00 N ATOM 737 CA LYS A 138 67.472 -0.349 -1.986 1.00 0.00 C ATOM 738 C LYS A 138 68.047 0.747 -1.093 1.00 0.00 C ATOM 739 O LYS A 138 69.047 0.543 -0.406 1.00 0.00 O ATOM 740 CB LYS A 138 68.450 -0.622 -3.130 1.00 0.00 C ATOM 741 CG LYS A 138 68.526 -2.127 -3.389 1.00 0.00 C ATOM 742 CD LYS A 138 67.620 -2.489 -4.567 1.00 0.00 C ATOM 743 CE LYS A 138 67.957 -3.899 -5.053 1.00 0.00 C ATOM 744 NZ LYS A 138 67.793 -4.864 -3.929 1.00 0.00 N ATOM 0 H LYS A 138 66.137 0.175 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 138 67.334 -1.258 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.125 -0.103 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.438 -0.235 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 138 69.554 -2.418 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 138 68.219 -2.676 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 138 66.574 -2.437 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 138 67.754 -1.772 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 138 67.305 -4.175 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 138 68.980 -3.931 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 67.753 -5.832 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 68.599 -4.779 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 66.912 -4.655 -3.418 1.00 0.00 H new ATOM 758 N ASP A 139 67.403 1.912 -1.107 1.00 0.00 N ATOM 759 CA ASP A 139 67.866 3.028 -0.288 1.00 0.00 C ATOM 760 C ASP A 139 68.140 2.551 1.132 1.00 0.00 C ATOM 761 O ASP A 139 68.953 3.129 1.854 1.00 0.00 O ATOM 762 CB ASP A 139 66.816 4.140 -0.249 1.00 0.00 C ATOM 763 CG ASP A 139 67.503 5.478 0.001 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.505 5.487 0.697 1.00 0.00 O ATOM 765 OD2 ASP A 139 67.018 6.475 -0.509 1.00 0.00 O ATOM 0 H ASP A 139 66.573 2.106 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 139 68.783 3.419 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.268 4.171 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.088 3.940 0.537 1.00 0.00 H new ATOM 770 N GLY A 140 67.454 1.480 1.520 1.00 0.00 N ATOM 771 CA GLY A 140 67.626 0.912 2.853 1.00 0.00 C ATOM 772 C GLY A 140 68.280 -0.461 2.765 1.00 0.00 C ATOM 773 O GLY A 140 69.506 -0.580 2.768 1.00 0.00 O ATOM 0 H GLY A 140 66.778 0.990 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 140 68.240 1.576 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 140 66.658 0.830 3.348 1.00 0.00 H new ATOM 777 N ASP A 141 67.444 -1.495 2.679 1.00 0.00 N ATOM 778 CA ASP A 141 67.935 -2.869 2.582 1.00 0.00 C ATOM 779 C ASP A 141 69.233 -3.038 3.366 1.00 0.00 C ATOM 780 O ASP A 141 70.211 -3.591 2.865 1.00 0.00 O ATOM 781 CB ASP A 141 68.184 -3.244 1.120 1.00 0.00 C ATOM 782 CG ASP A 141 67.455 -4.543 0.798 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.118 -5.258 1.728 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.243 -4.805 -0.375 1.00 0.00 O ATOM 0 H ASP A 141 66.428 -1.408 2.675 1.00 0.00 H new ATOM 0 HA ASP A 141 67.174 -3.525 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 141 67.835 -2.446 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 141 69.253 -3.360 0.940 1.00 0.00 H new ATOM 789 N LYS A 142 69.230 -2.549 4.602 1.00 0.00 N ATOM 790 CA LYS A 142 70.413 -2.644 5.453 1.00 0.00 C ATOM 791 C LYS A 142 71.059 -4.021 5.330 1.00 0.00 C ATOM 792 O LYS A 142 72.265 -4.176 5.522 1.00 0.00 O ATOM 793 CB LYS A 142 70.042 -2.399 6.917 1.00 0.00 C ATOM 794 CG LYS A 142 71.312 -2.393 7.769 1.00 0.00 C ATOM 795 CD LYS A 142 71.487 -1.017 8.416 1.00 0.00 C ATOM 796 CE LYS A 142 72.237 -0.092 7.456 1.00 0.00 C ATOM 797 NZ LYS A 142 72.830 1.042 8.221 1.00 0.00 N ATOM 0 H LYS A 142 68.430 -2.087 5.035 1.00 0.00 H new ATOM 0 HA LYS A 142 71.120 -1.883 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.519 -1.448 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 142 69.361 -3.175 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 142 71.250 -3.163 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.178 -2.629 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 142 70.513 -0.592 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 142 72.038 -1.111 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.021 -0.645 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 142 71.557 0.286 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 73.340 1.671 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 72.073 1.575 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 73.491 0.672 8.933 1.00 0.00 H new ATOM 811 N ASN A 143 70.242 -5.022 5.010 1.00 0.00 N ATOM 812 CA ASN A 143 70.746 -6.387 4.868 1.00 0.00 C ATOM 813 C ASN A 143 71.113 -6.679 3.416 1.00 0.00 C ATOM 814 O ASN A 143 71.974 -7.511 3.135 1.00 0.00 O ATOM 815 CB ASN A 143 69.693 -7.399 5.323 1.00 0.00 C ATOM 816 CG ASN A 143 69.011 -6.891 6.589 1.00 0.00 C ATOM 817 OD1 ASN A 143 67.718 -7.018 6.715 1.00 0.00 O flip ATOM 818 ND2 ASN A 143 69.668 -6.365 7.488 1.00 0.00 N flip ATOM 0 H ASN A 143 69.241 -4.917 4.846 1.00 0.00 H new ATOM 0 HA ASN A 143 71.635 -6.478 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 143 68.955 -7.550 4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 143 70.160 -8.366 5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 143 70.678 -6.266 7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 143 69.202 -6.029 8.331 1.00 0.00 H new ATOM 825 N ASN A 144 70.446 -5.988 2.496 1.00 0.00 N ATOM 826 CA ASN A 144 70.709 -6.188 1.074 1.00 0.00 C ATOM 827 C ASN A 144 70.263 -7.583 0.648 1.00 0.00 C ATOM 828 O ASN A 144 71.062 -8.387 0.167 1.00 0.00 O ATOM 829 CB ASN A 144 72.202 -6.028 0.778 1.00 0.00 C ATOM 830 CG ASN A 144 72.386 -5.320 -0.560 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.357 -4.091 -0.628 1.00 0.00 O ATOM 832 ND2 ASN A 144 72.577 -6.028 -1.639 1.00 0.00 N ATOM 0 H ASN A 144 69.729 -5.294 2.705 1.00 0.00 H new ATOM 0 HA ASN A 144 70.149 -5.438 0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.681 -5.456 1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.685 -7.005 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 144 72.702 -5.563 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 144 72.601 -7.046 -1.583 1.00 0.00 H new ATOM 839 N ASP A 145 68.977 -7.862 0.837 1.00 0.00 N ATOM 840 CA ASP A 145 68.429 -9.167 0.475 1.00 0.00 C ATOM 841 C ASP A 145 67.399 -9.023 -0.641 1.00 0.00 C ATOM 842 O ASP A 145 67.102 -9.980 -1.357 1.00 0.00 O ATOM 843 CB ASP A 145 67.762 -9.820 1.688 1.00 0.00 C ATOM 844 CG ASP A 145 68.482 -11.120 2.030 1.00 0.00 C ATOM 845 OD1 ASP A 145 68.824 -11.845 1.110 1.00 0.00 O ATOM 846 OD2 ASP A 145 68.682 -11.372 3.207 1.00 0.00 O ATOM 0 H ASP A 145 68.300 -7.211 1.234 1.00 0.00 H new ATOM 0 HA ASP A 145 69.251 -9.794 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.791 -9.141 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.712 -10.019 1.475 1.00 0.00 H new ATOM 851 N GLY A 146 66.857 -7.816 -0.781 1.00 0.00 N ATOM 852 CA GLY A 146 65.860 -7.556 -1.814 1.00 0.00 C ATOM 853 C GLY A 146 64.619 -6.895 -1.222 1.00 0.00 C ATOM 854 O GLY A 146 64.153 -5.867 -1.713 1.00 0.00 O ATOM 0 H GLY A 146 67.088 -7.011 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 146 66.287 -6.913 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.582 -8.491 -2.299 1.00 0.00 H new ATOM 858 N ARG A 147 64.088 -7.498 -0.162 1.00 0.00 N ATOM 859 CA ARG A 147 62.895 -6.956 0.489 1.00 0.00 C ATOM 860 C ARG A 147 63.267 -6.262 1.794 1.00 0.00 C ATOM 861 O ARG A 147 64.442 -6.037 2.085 1.00 0.00 O ATOM 862 CB ARG A 147 61.879 -8.062 0.801 1.00 0.00 C ATOM 863 CG ARG A 147 62.202 -9.328 0.002 1.00 0.00 C ATOM 864 CD ARG A 147 61.200 -10.423 0.369 1.00 0.00 C ATOM 865 NE ARG A 147 61.432 -11.628 -0.423 1.00 0.00 N ATOM 866 CZ ARG A 147 60.870 -12.786 -0.085 1.00 0.00 C ATOM 867 NH1 ARG A 147 60.104 -12.856 0.969 1.00 0.00 N ATOM 868 NH2 ARG A 147 61.085 -13.851 -0.807 1.00 0.00 N ATOM 0 H ARG A 147 64.457 -8.350 0.261 1.00 0.00 H new ATOM 0 HA ARG A 147 62.449 -6.241 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.892 -8.285 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 147 60.873 -7.719 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 147 62.156 -9.120 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.217 -9.660 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 147 61.285 -10.658 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 147 60.185 -10.063 0.202 1.00 0.00 H new ATOM 0 HE ARG A 147 62.033 -11.581 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 147 59.936 -12.023 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 147 59.673 -13.743 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 147 61.684 -13.796 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 147 60.654 -14.738 -0.548 1.00 0.00 H new ATOM 882 N ILE A 148 62.246 -5.935 2.581 1.00 0.00 N ATOM 883 CA ILE A 148 62.462 -5.274 3.864 1.00 0.00 C ATOM 884 C ILE A 148 61.964 -6.164 4.998 1.00 0.00 C ATOM 885 O ILE A 148 60.994 -6.907 4.841 1.00 0.00 O ATOM 886 CB ILE A 148 61.723 -3.937 3.912 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.747 -3.292 2.523 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.408 -3.009 4.915 1.00 0.00 C ATOM 889 CD1 ILE A 148 63.184 -2.919 2.155 1.00 0.00 C ATOM 0 H ILE A 148 61.268 -6.115 2.355 1.00 0.00 H new ATOM 0 HA ILE A 148 63.531 -5.094 3.980 1.00 0.00 H new ATOM 0 HB ILE A 148 60.691 -4.104 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.339 -3.981 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 148 61.116 -2.403 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.880 -2.056 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.392 -3.467 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.441 -2.841 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 148 63.199 -2.460 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 148 63.576 -2.214 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.802 -3.817 2.148 1.00 0.00 H new ATOM 901 N ASP A 149 62.641 -6.089 6.140 1.00 0.00 N ATOM 902 CA ASP A 149 62.260 -6.901 7.292 1.00 0.00 C ATOM 903 C ASP A 149 61.840 -6.017 8.462 1.00 0.00 C ATOM 904 O ASP A 149 62.150 -4.827 8.504 1.00 0.00 O ATOM 905 CB ASP A 149 63.430 -7.783 7.732 1.00 0.00 C ATOM 906 CG ASP A 149 64.583 -6.901 8.198 1.00 0.00 C ATOM 907 OD1 ASP A 149 64.517 -5.704 7.969 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.516 -7.435 8.776 1.00 0.00 O ATOM 0 H ASP A 149 63.447 -5.482 6.292 1.00 0.00 H new ATOM 0 HA ASP A 149 61.419 -7.528 6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.116 -8.446 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.753 -8.416 6.906 1.00 0.00 H new ATOM 913 N TYR A 150 61.132 -6.620 9.413 1.00 0.00 N ATOM 914 CA TYR A 150 60.672 -5.888 10.590 1.00 0.00 C ATOM 915 C TYR A 150 61.826 -5.106 11.208 1.00 0.00 C ATOM 916 O TYR A 150 61.623 -4.102 11.891 1.00 0.00 O ATOM 917 CB TYR A 150 60.109 -6.856 11.633 1.00 0.00 C ATOM 918 CG TYR A 150 58.801 -6.323 12.170 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.801 -5.294 13.119 1.00 0.00 C ATOM 920 CD2 TYR A 150 57.589 -6.861 11.720 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.589 -4.803 13.618 1.00 0.00 C ATOM 922 CE2 TYR A 150 56.376 -6.369 12.219 1.00 0.00 C ATOM 923 CZ TYR A 150 56.376 -5.340 13.168 1.00 0.00 C ATOM 924 OH TYR A 150 55.181 -4.855 13.660 1.00 0.00 O ATOM 0 H TYR A 150 60.866 -7.605 9.393 1.00 0.00 H new ATOM 0 HA TYR A 150 59.889 -5.197 10.277 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.956 -7.838 11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 150 60.822 -6.984 12.447 1.00 0.00 H new ATOM 0 HD1 TYR A 150 59.736 -4.879 13.466 1.00 0.00 H new ATOM 0 HD2 TYR A 150 57.589 -7.655 10.988 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.589 -4.009 14.351 1.00 0.00 H new ATOM 0 HE2 TYR A 150 55.441 -6.783 11.872 1.00 0.00 H new ATOM 0 HH TYR A 150 54.436 -5.336 13.243 1.00 0.00 H new ATOM 934 N ASP A 151 63.044 -5.582 10.958 1.00 0.00 N ATOM 935 CA ASP A 151 64.235 -4.926 11.492 1.00 0.00 C ATOM 936 C ASP A 151 64.521 -3.637 10.728 1.00 0.00 C ATOM 937 O ASP A 151 64.406 -2.538 11.271 1.00 0.00 O ATOM 938 CB ASP A 151 65.449 -5.850 11.384 1.00 0.00 C ATOM 939 CG ASP A 151 66.098 -6.001 12.755 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.423 -5.749 13.739 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.261 -6.368 12.802 1.00 0.00 O ATOM 0 H ASP A 151 63.231 -6.411 10.395 1.00 0.00 H new ATOM 0 HA ASP A 151 64.049 -4.693 12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.144 -6.825 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.167 -5.442 10.673 1.00 0.00 H new ATOM 946 N GLU A 152 64.895 -3.784 9.460 1.00 0.00 N ATOM 947 CA GLU A 152 65.196 -2.627 8.627 1.00 0.00 C ATOM 948 C GLU A 152 64.061 -1.610 8.700 1.00 0.00 C ATOM 949 O GLU A 152 64.263 -0.460 9.092 1.00 0.00 O ATOM 950 CB GLU A 152 65.389 -3.058 7.173 1.00 0.00 C ATOM 951 CG GLU A 152 66.619 -3.962 7.067 1.00 0.00 C ATOM 952 CD GLU A 152 66.546 -4.769 5.775 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.442 -5.056 5.341 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.594 -5.089 5.239 1.00 0.00 O ATOM 0 H GLU A 152 64.996 -4.684 8.992 1.00 0.00 H new ATOM 0 HA GLU A 152 66.114 -2.171 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.504 -3.587 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.513 -2.182 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.528 -3.361 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.666 -4.632 7.925 1.00 0.00 H new ATOM 961 N PHE A 153 62.863 -2.047 8.320 1.00 0.00 N ATOM 962 CA PHE A 153 61.697 -1.168 8.347 1.00 0.00 C ATOM 963 C PHE A 153 61.639 -0.402 9.665 1.00 0.00 C ATOM 964 O PHE A 153 61.227 0.757 9.709 1.00 0.00 O ATOM 965 CB PHE A 153 60.409 -1.978 8.186 1.00 0.00 C ATOM 966 CG PHE A 153 59.246 -1.039 7.968 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.935 -0.596 6.677 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.477 -0.612 9.058 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.857 0.274 6.475 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.398 0.257 8.856 1.00 0.00 C ATOM 971 CZ PHE A 153 57.088 0.700 7.565 1.00 0.00 C ATOM 0 H PHE A 153 62.675 -2.995 7.993 1.00 0.00 H new ATOM 0 HA PHE A 153 61.788 -0.465 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.500 -2.662 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.237 -2.587 9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.527 -0.926 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.716 -0.953 10.054 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.619 0.616 5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.805 0.586 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.256 1.370 7.409 1.00 0.00 H new ATOM 981 N LEU A 154 62.056 -1.065 10.739 1.00 0.00 N ATOM 982 CA LEU A 154 62.047 -0.441 12.059 1.00 0.00 C ATOM 983 C LEU A 154 63.135 0.625 12.154 1.00 0.00 C ATOM 984 O LEU A 154 62.984 1.625 12.856 1.00 0.00 O ATOM 985 CB LEU A 154 62.279 -1.491 13.147 1.00 0.00 C ATOM 986 CG LEU A 154 60.935 -1.926 13.733 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.170 -2.912 14.878 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.193 -0.699 14.264 1.00 0.00 C ATOM 0 H LEU A 154 62.401 -2.025 10.723 1.00 0.00 H new ATOM 0 HA LEU A 154 61.072 0.024 12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 154 62.802 -2.352 12.730 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.915 -1.082 13.932 1.00 0.00 H new ATOM 0 HG LEU A 154 60.339 -2.407 12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.211 -3.221 15.295 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.701 -3.786 14.502 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.765 -2.432 15.655 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.235 -1.006 14.682 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.791 -0.220 15.040 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.024 0.005 13.449 1.00 0.00 H new ATOM 1000 N GLU A 155 64.234 0.400 11.440 1.00 0.00 N ATOM 1001 CA GLU A 155 65.345 1.349 11.452 1.00 0.00 C ATOM 1002 C GLU A 155 65.149 2.415 10.379 1.00 0.00 C ATOM 1003 O GLU A 155 65.446 3.591 10.591 1.00 0.00 O ATOM 1004 CB GLU A 155 66.670 0.627 11.202 1.00 0.00 C ATOM 1005 CG GLU A 155 67.681 1.026 12.279 1.00 0.00 C ATOM 1006 CD GLU A 155 68.670 -0.113 12.497 1.00 0.00 C ATOM 1007 OE1 GLU A 155 69.040 -0.746 11.521 1.00 0.00 O ATOM 1008 OE2 GLU A 155 69.044 -0.337 13.637 1.00 0.00 O ATOM 0 H GLU A 155 64.380 -0.421 10.852 1.00 0.00 H new ATOM 0 HA GLU A 155 65.370 1.823 12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.516 -0.452 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 155 67.055 0.883 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.211 1.929 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.164 1.256 13.211 1.00 0.00 H new ATOM 1015 N PHE A 156 64.647 1.991 9.223 1.00 0.00 N ATOM 1016 CA PHE A 156 64.415 2.920 8.120 1.00 0.00 C ATOM 1017 C PHE A 156 63.133 3.715 8.352 1.00 0.00 C ATOM 1018 O PHE A 156 63.094 4.929 8.156 1.00 0.00 O ATOM 1019 CB PHE A 156 64.301 2.164 6.795 1.00 0.00 C ATOM 1020 CG PHE A 156 64.400 3.142 5.650 1.00 0.00 C ATOM 1021 CD1 PHE A 156 65.654 3.496 5.138 1.00 0.00 C ATOM 1022 CD2 PHE A 156 63.238 3.696 5.100 1.00 0.00 C ATOM 1023 CE1 PHE A 156 65.745 4.405 4.077 1.00 0.00 C ATOM 1024 CE2 PHE A 156 63.329 4.604 4.040 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.583 4.959 3.528 1.00 0.00 C ATOM 0 H PHE A 156 64.395 1.022 9.026 1.00 0.00 H new ATOM 0 HA PHE A 156 65.263 3.604 8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 156 65.092 1.418 6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.353 1.629 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 156 66.551 3.068 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 156 62.271 3.422 5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 156 66.712 4.679 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 156 62.432 5.031 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.653 5.660 2.710 1.00 0.00 H new ATOM 1035 N MET A 157 62.084 3.013 8.773 1.00 0.00 N ATOM 1036 CA MET A 157 60.801 3.661 9.031 1.00 0.00 C ATOM 1037 C MET A 157 60.567 3.796 10.533 1.00 0.00 C ATOM 1038 O MET A 157 59.743 3.089 11.114 1.00 0.00 O ATOM 1039 CB MET A 157 59.659 2.848 8.418 1.00 0.00 C ATOM 1040 CG MET A 157 58.323 3.521 8.739 1.00 0.00 C ATOM 1041 SD MET A 157 58.005 4.834 7.535 1.00 0.00 S ATOM 1042 CE MET A 157 57.471 3.770 6.173 1.00 0.00 C ATOM 0 H MET A 157 62.096 2.007 8.941 1.00 0.00 H new ATOM 0 HA MET A 157 60.825 4.651 8.576 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.790 2.773 7.339 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.670 1.832 8.812 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.518 2.786 8.713 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.345 3.935 9.747 1.00 0.00 H new ATOM 0 HE1 MET A 157 56.702 4.280 5.593 1.00 0.00 H new ATOM 0 HE2 MET A 157 58.322 3.547 5.530 1.00 0.00 H new ATOM 0 HE3 MET A 157 57.067 2.841 6.574 1.00 0.00 H new ATOM 1052 N LYS A 158 61.304 4.713 11.154 1.00 0.00 N ATOM 1053 CA LYS A 158 61.174 4.937 12.592 1.00 0.00 C ATOM 1054 C LYS A 158 59.951 5.797 12.893 1.00 0.00 C ATOM 1055 O LYS A 158 60.046 6.822 13.567 1.00 0.00 O ATOM 1056 CB LYS A 158 62.420 5.636 13.139 1.00 0.00 C ATOM 1057 CG LYS A 158 63.115 4.725 14.153 1.00 0.00 C ATOM 1058 CD LYS A 158 63.299 5.476 15.473 1.00 0.00 C ATOM 1059 CE LYS A 158 61.998 5.424 16.276 1.00 0.00 C ATOM 1060 NZ LYS A 158 62.172 6.177 17.550 1.00 0.00 N ATOM 0 H LYS A 158 61.991 5.308 10.690 1.00 0.00 H new ATOM 0 HA LYS A 158 61.060 3.965 13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.102 5.877 12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.143 6.578 13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.523 3.824 14.314 1.00 0.00 H new ATOM 0 HG3 LYS A 158 64.083 4.405 13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.111 5.030 16.047 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.578 6.512 15.279 1.00 0.00 H new ATOM 0 HE2 LYS A 158 61.182 5.854 15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 158 61.729 4.389 16.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 61.288 6.143 18.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 62.940 5.748 18.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.410 7.167 17.338 1.00 0.00 H new ATOM 1074 N GLY A 159 58.800 5.366 12.385 1.00 0.00 N ATOM 1075 CA GLY A 159 57.559 6.102 12.605 1.00 0.00 C ATOM 1076 C GLY A 159 57.559 7.411 11.824 1.00 0.00 C ATOM 1077 O GLY A 159 57.586 8.497 12.403 1.00 0.00 O ATOM 0 H GLY A 159 58.700 4.520 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.710 5.491 12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.437 6.308 13.668 1.00 0.00 H new ATOM 1081 N VAL A 160 57.529 7.296 10.500 1.00 0.00 N ATOM 1082 CA VAL A 160 57.525 8.478 9.643 1.00 0.00 C ATOM 1083 C VAL A 160 56.112 8.774 9.151 1.00 0.00 C ATOM 1084 O VAL A 160 55.326 7.864 8.890 1.00 0.00 O ATOM 1085 CB VAL A 160 58.437 8.266 8.434 1.00 0.00 C ATOM 1086 CG1 VAL A 160 58.759 9.618 7.794 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.735 7.596 8.890 1.00 0.00 C ATOM 0 H VAL A 160 57.507 6.407 10.001 1.00 0.00 H new ATOM 0 HA VAL A 160 57.890 9.320 10.231 1.00 0.00 H new ATOM 0 HB VAL A 160 57.934 7.630 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 160 59.409 9.467 6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 160 57.835 10.097 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 160 59.263 10.254 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 160 60.387 7.444 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 160 60.237 8.233 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.506 6.633 9.347 1.00 0.00 H new ATOM 1097 N GLU A 161 55.799 10.061 9.026 1.00 0.00 N ATOM 1098 CA GLU A 161 54.476 10.472 8.563 1.00 0.00 C ATOM 1099 C GLU A 161 53.413 10.103 9.593 1.00 0.00 C ATOM 1100 O GLU A 161 53.739 10.079 10.768 1.00 0.00 O ATOM 1101 CB GLU A 161 54.140 9.792 7.234 1.00 0.00 C ATOM 1102 CG GLU A 161 54.084 10.841 6.122 1.00 0.00 C ATOM 1103 CD GLU A 161 53.092 11.935 6.503 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.962 11.599 6.817 1.00 0.00 O ATOM 1105 OE2 GLU A 161 53.477 13.092 6.474 1.00 0.00 O ATOM 1106 OXT GLU A 161 52.290 9.849 9.190 1.00 0.00 O ATOM 0 H GLU A 161 56.435 10.830 9.236 1.00 0.00 H new ATOM 0 HA GLU A 161 54.488 11.553 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 161 54.891 9.038 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 161 53.183 9.276 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 161 55.073 11.271 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 161 53.785 10.375 5.183 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.015 -7.275 1.667 1.00 0.00 CA HETATM 1115 CA CA A 3 66.795 -6.165 3.542 1.00 0.00 CA HETATM 1116 S1 EMD A 1 62.328 -0.023 3.203 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.787 0.511 2.336 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.840 -0.119 2.444 1.00 0.00 O HETATM 1119 N3 EMD A 1 63.728 1.595 1.569 1.00 0.00 N HETATM 1120 N4 EMD A 1 62.591 2.345 1.359 1.00 0.00 N HETATM 1121 C5 EMD A 1 61.360 2.198 1.719 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.966 0.894 2.442 1.00 0.00 C HETATM 1123 C7 EMD A 1 60.256 -0.047 1.468 1.00 0.00 C HETATM 1124 C8 EMD A 1 60.362 3.403 1.593 1.00 0.00 C HETATM 1125 C9 EMD A 1 59.744 3.919 2.741 1.00 0.00 C HETATM 1126 C10 EMD A 1 58.849 4.997 2.638 1.00 0.00 C HETATM 1127 C11 EMD A 1 58.577 5.549 1.363 1.00 0.00 C HETATM 1128 C12 EMD A 1 59.196 5.029 0.219 1.00 0.00 C HETATM 1129 C13 EMD A 1 60.090 3.958 0.334 1.00 0.00 C HETATM 1130 N14 EMD A 1 57.595 6.710 1.265 1.00 0.00 N HETATM 1131 C15 EMD A 1 57.250 7.480 2.534 1.00 0.00 C HETATM 1132 C16 EMD A 1 57.976 7.071 3.800 1.00 0.00 C HETATM 1133 C17 EMD A 1 58.180 5.543 3.909 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.994 7.101 0.072 1.00 0.00 C HETATM 1135 O18 EMD A 1 57.229 6.519 -0.986 1.00 0.00 O HETATM 1136 C19 EMD A 1 56.011 8.274 0.022 1.00 0.00 C HETATM 1137 C20 EMD A 1 56.220 9.323 -0.883 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.245 10.321 -1.037 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.499 11.347 -1.954 1.00 0.00 O HETATM 1140 C22 EMD A 1 54.077 10.271 -0.296 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.077 11.243 -0.414 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.863 9.224 0.611 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.829 8.224 0.770 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.698 12.163 -1.962 1.00 0.00 C HETATM 1145 C26 EMD A 1 52.117 11.557 0.626 1.00 0.00 C HETATM 0 H263 EMD A 1 51.532 10.668 0.862 1.00 0.00 H new HETATM 0 H262 EMD A 1 52.645 11.892 1.519 1.00 0.00 H new HETATM 0 H261 EMD A 1 51.451 12.348 0.280 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.784 12.693 -1.013 1.00 0.00 H new HETATM 0 H252 EMD A 1 57.571 11.526 -2.102 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.642 12.885 -2.777 1.00 0.00 H new HETATM 0 H172 EMD A 1 57.219 5.052 4.061 1.00 0.00 H new HETATM 0 H171 EMD A 1 58.796 5.314 4.778 1.00 0.00 H new HETATM 0 H162 EMD A 1 58.947 7.565 3.832 1.00 0.00 H new HETATM 0 H161 EMD A 1 57.412 7.420 4.665 1.00 0.00 H new HETATM 0 H152 EMD A 1 57.449 8.537 2.355 1.00 0.00 H new HETATM 0 H151 EMD A 1 56.179 7.382 2.710 1.00 0.00 H new HETATM 0 H9 EMD A 1 59.959 3.482 3.716 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.960 -0.380 0.706 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.873 -0.911 2.011 1.00 0.00 H new HETATM 0 H71 EMD A 1 59.428 0.479 0.992 1.00 0.00 H new HETATM 0 H6 EMD A 1 60.320 1.223 3.256 1.00 0.00 H new HETATM 0 H3 EMD A 1 64.585 1.893 1.103 1.00 0.00 H new HETATM 0 H24 EMD A 1 54.661 7.409 1.474 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.942 9.189 1.194 1.00 0.00 H new HETATM 0 H20 EMD A 1 57.139 9.364 -1.467 1.00 0.00 H new HETATM 0 H13 EMD A 1 60.575 3.555 -0.555 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.982 5.458 -0.760 1.00 0.00 H new