USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 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 Set 1.1: A 98 SER OG : rot -43:sc= 0.461 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0.426 USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= -0.0528 (180deg=-0.546) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0993 USER MOD Single : A 103 MET CE :methyl -112:sc= -0.342 (180deg=-2.27!) USER MOD Single : A 106 LYS NZ :NH3+ 157:sc= -0.263 (180deg=-0.94) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.778 F(o=-1.6,f=-0.78) 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 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.8!) USER MOD Single : A 124 THR OG1 : rot 57:sc= 0.828 USER MOD Single : A 127 THR OG1 : rot -63:sc= 0.671 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.00956! USER MOD Single : A 137 MET CE :methyl 159:sc= -0.502 (180deg=-1.19) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0801 K(o=-0.08,f=-1.3) USER MOD Single : A 144 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.8!) USER MOD Single : A 157 MET CE :methyl 161:sc= -3.14! (180deg=-3.31!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 55.182 12.847 16.797 1.00 0.00 N ATOM 2 CA GLY A 91 56.141 11.806 17.158 1.00 0.00 C ATOM 3 C GLY A 91 55.472 10.436 17.175 1.00 0.00 C ATOM 4 O GLY A 91 54.410 10.256 17.772 1.00 0.00 O ATOM 0 HA2 GLY A 91 56.967 11.804 16.447 1.00 0.00 H new ATOM 0 HA3 GLY A 91 56.566 12.021 18.139 1.00 0.00 H new ATOM 8 N LYS A 92 56.105 9.472 16.512 1.00 0.00 N ATOM 9 CA LYS A 92 55.564 8.116 16.454 1.00 0.00 C ATOM 10 C LYS A 92 56.265 7.218 17.468 1.00 0.00 C ATOM 11 O LYS A 92 57.024 7.688 18.315 1.00 0.00 O ATOM 12 CB LYS A 92 55.748 7.526 15.055 1.00 0.00 C ATOM 13 CG LYS A 92 55.072 8.431 14.023 1.00 0.00 C ATOM 14 CD LYS A 92 53.575 8.520 14.323 1.00 0.00 C ATOM 15 CE LYS A 92 52.864 9.229 13.169 1.00 0.00 C ATOM 16 NZ LYS A 92 53.567 10.507 12.864 1.00 0.00 N ATOM 0 H LYS A 92 56.984 9.601 16.012 1.00 0.00 H new ATOM 0 HA LYS A 92 54.501 8.168 16.689 1.00 0.00 H new ATOM 0 HB2 LYS A 92 56.809 7.428 14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 92 55.319 6.525 15.012 1.00 0.00 H new ATOM 0 HG2 LYS A 92 55.518 9.425 14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 92 55.229 8.036 13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.161 7.521 14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 92 53.412 9.064 15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.851 8.589 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.825 9.427 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.922 11.146 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 53.872 10.956 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 54.399 10.313 12.271 1.00 0.00 H new ATOM 30 N SER A 93 56.002 5.917 17.370 1.00 0.00 N ATOM 31 CA SER A 93 56.614 4.955 18.284 1.00 0.00 C ATOM 32 C SER A 93 56.700 3.579 17.632 1.00 0.00 C ATOM 33 O SER A 93 56.061 3.316 16.613 1.00 0.00 O ATOM 34 CB SER A 93 55.798 4.846 19.572 1.00 0.00 C ATOM 35 OG SER A 93 54.760 5.817 19.553 1.00 0.00 O ATOM 0 H SER A 93 55.377 5.508 16.676 1.00 0.00 H new ATOM 0 HA SER A 93 57.618 5.308 18.520 1.00 0.00 H new ATOM 0 HB2 SER A 93 55.375 3.846 19.665 1.00 0.00 H new ATOM 0 HB3 SER A 93 56.441 5.001 20.438 1.00 0.00 H new ATOM 0 HG SER A 93 54.233 5.749 20.377 1.00 0.00 H new ATOM 41 N GLU A 94 57.502 2.704 18.233 1.00 0.00 N ATOM 42 CA GLU A 94 57.674 1.352 17.708 1.00 0.00 C ATOM 43 C GLU A 94 56.319 0.700 17.451 1.00 0.00 C ATOM 44 O GLU A 94 56.152 -0.066 16.502 1.00 0.00 O ATOM 45 CB GLU A 94 58.459 0.491 18.699 1.00 0.00 C ATOM 46 CG GLU A 94 59.919 0.948 18.728 1.00 0.00 C ATOM 47 CD GLU A 94 60.568 0.493 20.031 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.966 0.696 21.072 1.00 0.00 O ATOM 49 OE2 GLU A 94 61.658 -0.051 19.968 1.00 0.00 O ATOM 0 H GLU A 94 58.039 2.904 19.077 1.00 0.00 H new ATOM 0 HA GLU A 94 58.225 1.424 16.770 1.00 0.00 H new ATOM 0 HB2 GLU A 94 58.022 0.573 19.694 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.401 -0.559 18.411 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.458 0.533 17.876 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.973 2.033 18.642 1.00 0.00 H new ATOM 56 N GLU A 95 55.354 1.012 18.311 1.00 0.00 N ATOM 57 CA GLU A 95 54.013 0.450 18.174 1.00 0.00 C ATOM 58 C GLU A 95 53.460 0.712 16.776 1.00 0.00 C ATOM 59 O GLU A 95 52.920 -0.185 16.129 1.00 0.00 O ATOM 60 CB GLU A 95 53.066 1.070 19.204 1.00 0.00 C ATOM 61 CG GLU A 95 51.648 0.541 18.976 1.00 0.00 C ATOM 62 CD GLU A 95 50.765 0.922 20.160 1.00 0.00 C ATOM 63 OE1 GLU A 95 50.510 2.103 20.328 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.358 0.026 20.881 1.00 0.00 O ATOM 0 H GLU A 95 55.472 1.644 19.103 1.00 0.00 H new ATOM 0 HA GLU A 95 54.083 -0.625 18.341 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.399 0.826 20.213 1.00 0.00 H new ATOM 0 HB3 GLU A 95 53.079 2.157 19.118 1.00 0.00 H new ATOM 0 HG2 GLU A 95 51.238 0.955 18.055 1.00 0.00 H new ATOM 0 HG3 GLU A 95 51.668 -0.542 18.857 1.00 0.00 H new ATOM 71 N GLU A 96 53.597 1.954 16.321 1.00 0.00 N ATOM 72 CA GLU A 96 53.101 2.331 15.000 1.00 0.00 C ATOM 73 C GLU A 96 53.845 1.573 13.904 1.00 0.00 C ATOM 74 O GLU A 96 53.235 1.035 12.981 1.00 0.00 O ATOM 75 CB GLU A 96 53.272 3.834 14.770 1.00 0.00 C ATOM 76 CG GLU A 96 51.898 4.483 14.595 1.00 0.00 C ATOM 77 CD GLU A 96 51.473 5.134 15.906 1.00 0.00 C ATOM 78 OE1 GLU A 96 52.251 5.907 16.439 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.376 4.849 16.359 1.00 0.00 O ATOM 0 H GLU A 96 54.043 2.710 16.841 1.00 0.00 H new ATOM 0 HA GLU A 96 52.042 2.074 14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.794 4.285 15.614 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.884 4.010 13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.935 5.229 13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.166 3.734 14.294 1.00 0.00 H new ATOM 86 N LEU A 97 55.171 1.540 14.010 1.00 0.00 N ATOM 87 CA LEU A 97 55.980 0.845 13.012 1.00 0.00 C ATOM 88 C LEU A 97 55.301 -0.454 12.590 1.00 0.00 C ATOM 89 O LEU A 97 55.012 -0.664 11.412 1.00 0.00 O ATOM 90 CB LEU A 97 57.371 0.530 13.564 1.00 0.00 C ATOM 91 CG LEU A 97 58.428 1.213 12.694 1.00 0.00 C ATOM 92 CD1 LEU A 97 59.527 1.798 13.583 1.00 0.00 C ATOM 93 CD2 LEU A 97 59.041 0.187 11.738 1.00 0.00 C ATOM 0 H LEU A 97 55.701 1.978 14.763 1.00 0.00 H new ATOM 0 HA LEU A 97 56.081 1.501 12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 97 57.453 0.876 14.594 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.534 -0.548 13.576 1.00 0.00 H new ATOM 0 HG LEU A 97 57.961 2.014 12.121 1.00 0.00 H new ATOM 0 HD11 LEU A 97 60.278 2.284 12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.093 2.529 14.265 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.994 0.998 14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 97 59.794 0.672 11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 97 59.506 -0.614 12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 97 58.260 -0.229 11.102 1.00 0.00 H new ATOM 105 N SER A 98 55.045 -1.321 13.564 1.00 0.00 N ATOM 106 CA SER A 98 54.393 -2.596 13.278 1.00 0.00 C ATOM 107 C SER A 98 53.270 -2.395 12.266 1.00 0.00 C ATOM 108 O SER A 98 53.101 -3.185 11.337 1.00 0.00 O ATOM 109 CB SER A 98 53.810 -3.202 14.555 1.00 0.00 C ATOM 110 OG SER A 98 54.825 -3.267 15.549 1.00 0.00 O ATOM 0 H SER A 98 55.275 -1.169 14.546 1.00 0.00 H new ATOM 0 HA SER A 98 55.141 -3.274 12.868 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.975 -2.598 14.910 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.419 -4.199 14.353 1.00 0.00 H new ATOM 0 HG SER A 98 55.658 -3.589 15.145 1.00 0.00 H new ATOM 116 N ASP A 99 52.508 -1.322 12.458 1.00 0.00 N ATOM 117 CA ASP A 99 51.402 -1.014 11.556 1.00 0.00 C ATOM 118 C ASP A 99 51.939 -0.598 10.191 1.00 0.00 C ATOM 119 O ASP A 99 51.520 -1.118 9.157 1.00 0.00 O ATOM 120 CB ASP A 99 50.544 0.119 12.124 1.00 0.00 C ATOM 121 CG ASP A 99 49.610 -0.436 13.193 1.00 0.00 C ATOM 122 OD1 ASP A 99 49.828 -1.559 13.618 1.00 0.00 O ATOM 123 OD2 ASP A 99 48.689 0.269 13.572 1.00 0.00 O ATOM 0 H ASP A 99 52.634 -0.657 13.221 1.00 0.00 H new ATOM 0 HA ASP A 99 50.789 -1.909 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 99 51.182 0.894 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.965 0.585 11.327 1.00 0.00 H new ATOM 128 N LEU A 100 52.876 0.347 10.202 1.00 0.00 N ATOM 129 CA LEU A 100 53.475 0.831 8.961 1.00 0.00 C ATOM 130 C LEU A 100 53.775 -0.337 8.027 1.00 0.00 C ATOM 131 O LEU A 100 53.355 -0.350 6.870 1.00 0.00 O ATOM 132 CB LEU A 100 54.777 1.581 9.252 1.00 0.00 C ATOM 133 CG LEU A 100 54.527 3.088 9.183 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.303 3.786 10.302 1.00 0.00 C ATOM 135 CD2 LEU A 100 55.001 3.621 7.829 1.00 0.00 C ATOM 0 H LEU A 100 53.234 0.789 11.048 1.00 0.00 H new ATOM 0 HA LEU A 100 52.765 1.507 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 100 55.152 1.309 10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.542 1.296 8.530 1.00 0.00 H new ATOM 0 HG LEU A 100 53.461 3.285 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.125 4.860 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.969 3.407 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.368 3.589 10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.823 4.695 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 100 56.067 3.424 7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.451 3.124 7.030 1.00 0.00 H new ATOM 147 N PHE A 101 54.508 -1.319 8.545 1.00 0.00 N ATOM 148 CA PHE A 101 54.860 -2.492 7.751 1.00 0.00 C ATOM 149 C PHE A 101 53.622 -3.050 7.060 1.00 0.00 C ATOM 150 O PHE A 101 53.546 -3.099 5.832 1.00 0.00 O ATOM 151 CB PHE A 101 55.471 -3.578 8.639 1.00 0.00 C ATOM 152 CG PHE A 101 56.454 -4.395 7.834 1.00 0.00 C ATOM 153 CD1 PHE A 101 56.212 -4.646 6.478 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.605 -4.904 8.446 1.00 0.00 C ATOM 155 CE1 PHE A 101 57.122 -5.406 5.734 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.516 -5.664 7.701 1.00 0.00 C ATOM 157 CZ PHE A 101 58.273 -5.916 6.346 1.00 0.00 C ATOM 0 H PHE A 101 54.866 -1.327 9.500 1.00 0.00 H new ATOM 0 HA PHE A 101 55.591 -2.188 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.973 -3.124 9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.686 -4.222 9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 101 55.323 -4.253 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.791 -4.711 9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.936 -5.599 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.406 -6.055 8.172 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.974 -6.504 5.772 1.00 0.00 H new ATOM 167 N ARG A 102 52.645 -3.462 7.864 1.00 0.00 N ATOM 168 CA ARG A 102 51.405 -4.004 7.319 1.00 0.00 C ATOM 169 C ARG A 102 50.702 -2.935 6.496 1.00 0.00 C ATOM 170 O ARG A 102 49.967 -3.230 5.554 1.00 0.00 O ATOM 171 CB ARG A 102 50.475 -4.461 8.445 1.00 0.00 C ATOM 172 CG ARG A 102 50.074 -3.253 9.293 1.00 0.00 C ATOM 173 CD ARG A 102 48.849 -3.602 10.140 1.00 0.00 C ATOM 174 NE ARG A 102 49.098 -4.798 10.940 1.00 0.00 N ATOM 175 CZ ARG A 102 48.145 -5.316 11.711 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.970 -4.752 11.763 1.00 0.00 N ATOM 177 NH2 ARG A 102 48.386 -6.388 12.415 1.00 0.00 N ATOM 0 H ARG A 102 52.687 -3.432 8.883 1.00 0.00 H new ATOM 0 HA ARG A 102 51.648 -4.861 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 102 49.588 -4.937 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.975 -5.205 9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 102 50.902 -2.958 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.853 -2.402 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.603 -2.766 10.794 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.987 -3.764 9.492 1.00 0.00 H new ATOM 0 HE ARG A 102 50.015 -5.243 10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.782 -3.914 11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 102 46.239 -5.149 12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 102 49.305 -6.829 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 102 47.656 -6.785 13.006 1.00 0.00 H new ATOM 191 N MET A 103 50.951 -1.683 6.867 1.00 0.00 N ATOM 192 CA MET A 103 50.358 -0.551 6.168 1.00 0.00 C ATOM 193 C MET A 103 50.950 -0.437 4.767 1.00 0.00 C ATOM 194 O MET A 103 50.293 0.020 3.831 1.00 0.00 O ATOM 195 CB MET A 103 50.635 0.742 6.937 1.00 0.00 C ATOM 196 CG MET A 103 49.519 1.752 6.667 1.00 0.00 C ATOM 197 SD MET A 103 50.247 3.354 6.242 1.00 0.00 S ATOM 198 CE MET A 103 50.947 3.723 7.870 1.00 0.00 C ATOM 0 H MET A 103 51.558 -1.428 7.646 1.00 0.00 H new ATOM 0 HA MET A 103 49.282 -0.708 6.097 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.700 0.534 8.005 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.596 1.158 6.634 1.00 0.00 H new ATOM 0 HG2 MET A 103 48.885 1.401 5.853 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.883 1.851 7.546 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.415 4.565 8.313 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.847 2.850 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 103 52.002 3.976 7.764 1.00 0.00 H new ATOM 208 N PHE A 104 52.203 -0.865 4.638 1.00 0.00 N ATOM 209 CA PHE A 104 52.891 -0.820 3.352 1.00 0.00 C ATOM 210 C PHE A 104 52.680 -2.128 2.598 1.00 0.00 C ATOM 211 O PHE A 104 52.254 -2.137 1.443 1.00 0.00 O ATOM 212 CB PHE A 104 54.392 -0.602 3.557 1.00 0.00 C ATOM 213 CG PHE A 104 54.946 0.220 2.419 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.507 -0.011 1.109 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.899 1.213 2.673 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.022 0.751 0.054 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.414 1.975 1.618 1.00 0.00 C ATOM 218 CZ PHE A 104 55.976 1.745 0.309 1.00 0.00 C ATOM 0 H PHE A 104 52.760 -1.245 5.404 1.00 0.00 H new ATOM 0 HA PHE A 104 52.480 0.008 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.570 -0.095 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.905 -1.562 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.771 -0.777 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 104 56.237 1.391 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.684 0.573 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 104 57.150 2.741 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.373 2.334 -0.505 1.00 0.00 H new ATOM 228 N ASP A 105 52.985 -3.235 3.270 1.00 0.00 N ATOM 229 CA ASP A 105 52.828 -4.553 2.664 1.00 0.00 C ATOM 230 C ASP A 105 51.351 -4.920 2.558 1.00 0.00 C ATOM 231 O ASP A 105 50.759 -5.450 3.499 1.00 0.00 O ATOM 232 CB ASP A 105 53.545 -5.615 3.499 1.00 0.00 C ATOM 233 CG ASP A 105 53.968 -6.770 2.598 1.00 0.00 C ATOM 234 OD1 ASP A 105 53.589 -6.759 1.438 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.663 -7.649 3.080 1.00 0.00 O ATOM 0 H ASP A 105 53.339 -3.246 4.226 1.00 0.00 H new ATOM 0 HA ASP A 105 53.266 -4.518 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 105 54.418 -5.181 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.887 -5.978 4.288 1.00 0.00 H new ATOM 240 N LYS A 106 50.765 -4.637 1.399 1.00 0.00 N ATOM 241 CA LYS A 106 49.354 -4.946 1.174 1.00 0.00 C ATOM 242 C LYS A 106 49.223 -6.262 0.415 1.00 0.00 C ATOM 243 O LYS A 106 48.285 -6.462 -0.356 1.00 0.00 O ATOM 244 CB LYS A 106 48.665 -3.840 0.364 1.00 0.00 C ATOM 245 CG LYS A 106 49.454 -2.532 0.478 1.00 0.00 C ATOM 246 CD LYS A 106 50.354 -2.365 -0.750 1.00 0.00 C ATOM 247 CE LYS A 106 49.491 -2.200 -2.003 1.00 0.00 C ATOM 248 NZ LYS A 106 48.537 -1.072 -1.806 1.00 0.00 N ATOM 0 H LYS A 106 51.237 -4.199 0.608 1.00 0.00 H new ATOM 0 HA LYS A 106 48.873 -5.023 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 106 48.590 -4.138 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 106 47.648 -3.693 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 106 48.769 -1.688 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.058 -2.538 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 106 51.000 -1.496 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 106 51.005 -3.233 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 106 50.123 -2.008 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.944 -3.121 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 48.237 -0.705 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.705 -1.409 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 49.002 -0.314 -1.267 1.00 0.00 H new ATOM 262 N ASN A 107 50.181 -7.156 0.644 1.00 0.00 N ATOM 263 CA ASN A 107 50.173 -8.455 -0.023 1.00 0.00 C ATOM 264 C ASN A 107 50.021 -9.576 1.002 1.00 0.00 C ATOM 265 O ASN A 107 49.656 -10.702 0.663 1.00 0.00 O ATOM 266 CB ASN A 107 51.473 -8.661 -0.804 1.00 0.00 C ATOM 267 CG ASN A 107 51.542 -10.097 -1.314 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.640 -10.783 -1.149 1.00 0.00 O flip ATOM 269 ND2 ASN A 107 50.575 -10.610 -1.877 1.00 0.00 N flip ATOM 0 H ASN A 107 50.965 -7.008 1.279 1.00 0.00 H new ATOM 0 HA ASN A 107 49.330 -8.478 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.520 -7.965 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 107 52.330 -8.450 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 107 49.717 -10.074 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 107 50.632 -11.571 -2.214 1.00 0.00 H new ATOM 276 N ALA A 108 50.303 -9.250 2.261 1.00 0.00 N ATOM 277 CA ALA A 108 50.193 -10.231 3.339 1.00 0.00 C ATOM 278 C ALA A 108 51.338 -11.237 3.274 1.00 0.00 C ATOM 279 O ALA A 108 51.129 -12.445 3.386 1.00 0.00 O ATOM 280 CB ALA A 108 48.865 -10.984 3.244 1.00 0.00 C ATOM 0 H ALA A 108 50.607 -8.323 2.559 1.00 0.00 H new ATOM 0 HA ALA A 108 50.241 -9.691 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.800 -11.710 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.039 -10.277 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.808 -11.502 2.287 1.00 0.00 H new ATOM 286 N ASP A 109 52.551 -10.725 3.091 1.00 0.00 N ATOM 287 CA ASP A 109 53.728 -11.587 3.012 1.00 0.00 C ATOM 288 C ASP A 109 54.747 -11.204 4.082 1.00 0.00 C ATOM 289 O ASP A 109 55.503 -12.046 4.569 1.00 0.00 O ATOM 290 CB ASP A 109 54.386 -11.468 1.636 1.00 0.00 C ATOM 291 CG ASP A 109 54.645 -9.999 1.322 1.00 0.00 C ATOM 292 OD1 ASP A 109 53.700 -9.228 1.371 1.00 0.00 O ATOM 293 OD2 ASP A 109 55.783 -9.665 1.039 1.00 0.00 O ATOM 0 H ASP A 109 52.745 -9.728 2.995 1.00 0.00 H new ATOM 0 HA ASP A 109 53.401 -12.614 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.323 -12.025 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.741 -11.906 0.874 1.00 0.00 H new ATOM 298 N GLY A 110 54.762 -9.923 4.440 1.00 0.00 N ATOM 299 CA GLY A 110 55.695 -9.434 5.453 1.00 0.00 C ATOM 300 C GLY A 110 56.974 -8.919 4.804 1.00 0.00 C ATOM 301 O GLY A 110 58.005 -8.769 5.460 1.00 0.00 O ATOM 0 H GLY A 110 54.146 -9.210 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.228 -8.636 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 110 55.933 -10.236 6.152 1.00 0.00 H new ATOM 305 N TYR A 111 56.895 -8.650 3.504 1.00 0.00 N ATOM 306 CA TYR A 111 58.052 -8.150 2.766 1.00 0.00 C ATOM 307 C TYR A 111 57.602 -7.300 1.584 1.00 0.00 C ATOM 308 O TYR A 111 57.207 -7.822 0.542 1.00 0.00 O ATOM 309 CB TYR A 111 58.898 -9.313 2.242 1.00 0.00 C ATOM 310 CG TYR A 111 59.437 -10.111 3.404 1.00 0.00 C ATOM 311 CD1 TYR A 111 58.687 -11.166 3.937 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.688 -9.797 3.948 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.188 -11.907 5.013 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.190 -10.538 5.024 1.00 0.00 C ATOM 315 CZ TYR A 111 60.439 -11.594 5.557 1.00 0.00 C ATOM 316 OH TYR A 111 60.934 -12.326 6.617 1.00 0.00 O ATOM 0 H TYR A 111 56.051 -8.768 2.944 1.00 0.00 H new ATOM 0 HA TYR A 111 58.648 -7.544 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.295 -9.953 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.721 -8.933 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 111 57.722 -11.408 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.266 -8.983 3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 111 58.609 -12.721 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.155 -10.296 5.443 1.00 0.00 H new ATOM 0 HH TYR A 111 61.814 -11.978 6.872 1.00 0.00 H new ATOM 326 N ILE A 112 57.668 -5.983 1.754 1.00 0.00 N ATOM 327 CA ILE A 112 57.264 -5.073 0.687 1.00 0.00 C ATOM 328 C ILE A 112 58.031 -5.387 -0.591 1.00 0.00 C ATOM 329 O ILE A 112 59.227 -5.676 -0.562 1.00 0.00 O ATOM 330 CB ILE A 112 57.526 -3.621 1.085 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.558 -3.219 2.199 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.313 -2.711 -0.126 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.355 -2.825 3.440 1.00 0.00 C ATOM 0 H ILE A 112 57.992 -5.527 2.607 1.00 0.00 H new ATOM 0 HA ILE A 112 56.196 -5.208 0.516 1.00 0.00 H new ATOM 0 HB ILE A 112 58.553 -3.520 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.935 -2.386 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.888 -4.047 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.500 -1.676 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.000 -2.998 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.287 -2.810 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.669 -2.538 4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.959 -3.671 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 112 58.007 -1.985 3.202 1.00 0.00 H new ATOM 345 N ASP A 113 57.324 -5.329 -1.713 1.00 0.00 N ATOM 346 CA ASP A 113 57.940 -5.611 -3.007 1.00 0.00 C ATOM 347 C ASP A 113 57.701 -4.456 -3.973 1.00 0.00 C ATOM 348 O ASP A 113 56.706 -3.738 -3.871 1.00 0.00 O ATOM 349 CB ASP A 113 57.358 -6.893 -3.609 1.00 0.00 C ATOM 350 CG ASP A 113 55.852 -6.929 -3.373 1.00 0.00 C ATOM 351 OD1 ASP A 113 55.224 -5.893 -3.519 1.00 0.00 O ATOM 352 OD2 ASP A 113 55.348 -7.993 -3.050 1.00 0.00 O ATOM 0 H ASP A 113 56.333 -5.092 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 113 59.011 -5.738 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 113 57.570 -6.934 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 113 57.829 -7.766 -3.156 1.00 0.00 H new ATOM 357 N LEU A 114 58.626 -4.284 -4.913 1.00 0.00 N ATOM 358 CA LEU A 114 58.506 -3.211 -5.895 1.00 0.00 C ATOM 359 C LEU A 114 57.070 -3.113 -6.400 1.00 0.00 C ATOM 360 O LEU A 114 56.508 -2.023 -6.507 1.00 0.00 O ATOM 361 CB LEU A 114 59.441 -3.459 -7.079 1.00 0.00 C ATOM 362 CG LEU A 114 60.535 -2.390 -7.094 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.885 -3.035 -6.779 1.00 0.00 C ATOM 364 CD2 LEU A 114 60.591 -1.739 -8.477 1.00 0.00 C ATOM 0 H LEU A 114 59.457 -4.866 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 114 58.784 -2.276 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 114 59.887 -4.451 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 114 58.879 -3.433 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 114 60.312 -1.632 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 114 62.664 -2.273 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 114 61.845 -3.499 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.109 -3.794 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.370 -0.977 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 114 60.814 -2.498 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 114 59.629 -1.278 -8.701 1.00 0.00 H new ATOM 376 N GLU A 115 56.481 -4.267 -6.704 1.00 0.00 N ATOM 377 CA GLU A 115 55.104 -4.300 -7.191 1.00 0.00 C ATOM 378 C GLU A 115 54.198 -3.516 -6.248 1.00 0.00 C ATOM 379 O GLU A 115 53.301 -2.793 -6.681 1.00 0.00 O ATOM 380 CB GLU A 115 54.600 -5.741 -7.281 1.00 0.00 C ATOM 381 CG GLU A 115 55.134 -6.391 -8.559 1.00 0.00 C ATOM 382 CD GLU A 115 54.858 -7.890 -8.521 1.00 0.00 C ATOM 383 OE1 GLU A 115 54.588 -8.395 -7.443 1.00 0.00 O ATOM 384 OE2 GLU A 115 54.921 -8.512 -9.569 1.00 0.00 O ATOM 0 H GLU A 115 56.928 -5.180 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 115 55.083 -3.849 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 115 54.927 -6.307 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 115 53.510 -5.757 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 115 54.658 -5.945 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.205 -6.210 -8.652 1.00 0.00 H new ATOM 391 N GLU A 116 54.450 -3.665 -4.951 1.00 0.00 N ATOM 392 CA GLU A 116 53.659 -2.964 -3.946 1.00 0.00 C ATOM 393 C GLU A 116 54.089 -1.504 -3.867 1.00 0.00 C ATOM 394 O GLU A 116 53.299 -0.625 -3.520 1.00 0.00 O ATOM 395 CB GLU A 116 53.840 -3.612 -2.572 1.00 0.00 C ATOM 396 CG GLU A 116 52.870 -4.787 -2.430 1.00 0.00 C ATOM 397 CD GLU A 116 53.310 -5.674 -1.270 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.505 -5.770 -1.044 1.00 0.00 O ATOM 399 OE2 GLU A 116 52.446 -6.245 -0.625 1.00 0.00 O ATOM 0 H GLU A 116 55.189 -4.259 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 116 52.610 -3.024 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.867 -3.958 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.658 -2.879 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 116 51.859 -4.419 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 116 52.845 -5.365 -3.354 1.00 0.00 H new ATOM 406 N LEU A 117 55.353 -1.257 -4.200 1.00 0.00 N ATOM 407 CA LEU A 117 55.888 0.101 -4.171 1.00 0.00 C ATOM 408 C LEU A 117 55.135 0.985 -5.158 1.00 0.00 C ATOM 409 O LEU A 117 54.389 1.882 -4.768 1.00 0.00 O ATOM 410 CB LEU A 117 57.374 0.099 -4.537 1.00 0.00 C ATOM 411 CG LEU A 117 58.194 0.626 -3.359 1.00 0.00 C ATOM 412 CD1 LEU A 117 58.855 -0.546 -2.631 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.277 1.575 -3.878 1.00 0.00 C ATOM 0 H LEU A 117 56.020 -1.972 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 117 55.765 0.492 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 117 57.694 -0.911 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 117 57.543 0.720 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 117 57.538 1.159 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.439 -0.170 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.086 -1.226 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.511 -1.079 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.863 1.952 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.931 1.039 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.809 2.411 -4.399 1.00 0.00 H new ATOM 425 N LYS A 118 55.337 0.717 -6.446 1.00 0.00 N ATOM 426 CA LYS A 118 54.669 1.491 -7.487 1.00 0.00 C ATOM 427 C LYS A 118 53.235 1.802 -7.073 1.00 0.00 C ATOM 428 O LYS A 118 52.800 2.952 -7.103 1.00 0.00 O ATOM 429 CB LYS A 118 54.654 0.717 -8.807 1.00 0.00 C ATOM 430 CG LYS A 118 56.086 0.551 -9.318 1.00 0.00 C ATOM 431 CD LYS A 118 56.210 -0.775 -10.072 1.00 0.00 C ATOM 432 CE LYS A 118 57.688 -1.110 -10.274 1.00 0.00 C ATOM 433 NZ LYS A 118 58.015 -1.056 -11.727 1.00 0.00 N ATOM 0 H LYS A 118 55.951 -0.021 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 118 55.220 2.422 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.193 -0.260 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.053 1.248 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.347 1.381 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 118 56.786 0.573 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 118 55.719 -1.571 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 118 55.707 -0.706 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.310 -0.404 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 118 57.905 -2.102 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.020 -1.284 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.430 -1.746 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 57.823 -0.101 -12.091 1.00 0.00 H new ATOM 447 N ILE A 119 52.505 0.760 -6.683 1.00 0.00 N ATOM 448 CA ILE A 119 51.118 0.931 -6.261 1.00 0.00 C ATOM 449 C ILE A 119 51.009 2.063 -5.243 1.00 0.00 C ATOM 450 O ILE A 119 50.069 2.857 -5.274 1.00 0.00 O ATOM 451 CB ILE A 119 50.584 -0.359 -5.636 1.00 0.00 C ATOM 452 CG1 ILE A 119 50.645 -1.486 -6.670 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.135 -0.151 -5.195 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.300 -2.817 -5.998 1.00 0.00 C ATOM 0 H ILE A 119 52.846 -0.201 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 119 50.525 1.176 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 119 51.192 -0.623 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 119 49.947 -1.286 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.641 -1.536 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 119 48.755 -1.070 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.090 0.653 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.526 0.112 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.344 -3.619 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.015 -3.018 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.295 -2.763 -5.579 1.00 0.00 H new ATOM 466 N MET A 120 51.986 2.129 -4.341 1.00 0.00 N ATOM 467 CA MET A 120 51.994 3.172 -3.318 1.00 0.00 C ATOM 468 C MET A 120 52.283 4.530 -3.950 1.00 0.00 C ATOM 469 O MET A 120 51.847 5.568 -3.452 1.00 0.00 O ATOM 470 CB MET A 120 53.060 2.877 -2.258 1.00 0.00 C ATOM 471 CG MET A 120 52.721 3.629 -0.969 1.00 0.00 C ATOM 472 SD MET A 120 52.598 2.452 0.401 1.00 0.00 S ATOM 473 CE MET A 120 52.566 3.666 1.742 1.00 0.00 C ATOM 0 H MET A 120 52.773 1.482 -4.297 1.00 0.00 H new ATOM 0 HA MET A 120 51.012 3.190 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.108 1.805 -2.064 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.042 3.180 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.489 4.372 -0.756 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.780 4.167 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 120 52.492 3.149 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 120 53.481 4.257 1.719 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.706 4.324 1.617 1.00 0.00 H new ATOM 483 N LEU A 121 53.022 4.508 -5.055 1.00 0.00 N ATOM 484 CA LEU A 121 53.366 5.742 -5.757 1.00 0.00 C ATOM 485 C LEU A 121 52.265 6.113 -6.746 1.00 0.00 C ATOM 486 O LEU A 121 51.771 7.240 -6.752 1.00 0.00 O ATOM 487 CB LEU A 121 54.686 5.578 -6.512 1.00 0.00 C ATOM 488 CG LEU A 121 55.709 4.892 -5.606 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.027 4.711 -6.363 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.950 5.755 -4.365 1.00 0.00 C ATOM 0 H LEU A 121 53.392 3.658 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 121 53.471 6.535 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.530 4.988 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.060 6.552 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 121 55.328 3.916 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.754 4.222 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 121 56.857 4.096 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.409 5.686 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.679 5.267 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.330 6.731 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.013 5.883 -3.823 1.00 0.00 H new ATOM 502 N GLN A 122 51.884 5.148 -7.579 1.00 0.00 N ATOM 503 CA GLN A 122 50.834 5.380 -8.567 1.00 0.00 C ATOM 504 C GLN A 122 49.580 5.909 -7.881 1.00 0.00 C ATOM 505 O GLN A 122 48.888 6.782 -8.404 1.00 0.00 O ATOM 506 CB GLN A 122 50.490 4.083 -9.302 1.00 0.00 C ATOM 507 CG GLN A 122 51.764 3.477 -9.894 1.00 0.00 C ATOM 508 CD GLN A 122 51.481 2.970 -11.303 1.00 0.00 C ATOM 509 OE1 GLN A 122 50.331 2.948 -11.743 1.00 0.00 O ATOM 510 NE2 GLN A 122 52.471 2.557 -12.045 1.00 0.00 N ATOM 0 H GLN A 122 52.281 4.209 -7.591 1.00 0.00 H new ATOM 0 HA GLN A 122 51.199 6.113 -9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 122 50.024 3.376 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.768 4.282 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 122 52.557 4.224 -9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 122 52.116 2.659 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 122 53.424 2.575 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 122 52.293 2.216 -12.990 1.00 0.00 H new ATOM 519 N ALA A 123 49.301 5.369 -6.698 1.00 0.00 N ATOM 520 CA ALA A 123 48.130 5.789 -5.935 1.00 0.00 C ATOM 521 C ALA A 123 48.245 7.261 -5.554 1.00 0.00 C ATOM 522 O ALA A 123 47.243 7.953 -5.377 1.00 0.00 O ATOM 523 CB ALA A 123 47.993 4.955 -4.661 1.00 0.00 C ATOM 0 H ALA A 123 49.864 4.646 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 123 47.250 5.642 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.115 5.282 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 123 47.885 3.903 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.882 5.085 -4.044 1.00 0.00 H new ATOM 529 N THR A 124 49.484 7.731 -5.429 1.00 0.00 N ATOM 530 CA THR A 124 49.725 9.126 -5.068 1.00 0.00 C ATOM 531 C THR A 124 49.926 9.971 -6.321 1.00 0.00 C ATOM 532 O THR A 124 51.009 10.505 -6.561 1.00 0.00 O ATOM 533 CB THR A 124 50.967 9.245 -4.182 1.00 0.00 C ATOM 534 OG1 THR A 124 51.823 8.135 -4.415 1.00 0.00 O ATOM 535 CG2 THR A 124 50.547 9.269 -2.712 1.00 0.00 C ATOM 0 H THR A 124 50.327 7.175 -5.570 1.00 0.00 H new ATOM 0 HA THR A 124 48.855 9.487 -4.520 1.00 0.00 H new ATOM 0 HB THR A 124 51.496 10.167 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 124 52.052 8.092 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.432 9.354 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 124 49.892 10.122 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 124 50.016 8.348 -2.470 1.00 0.00 H new ATOM 543 N GLY A 125 48.868 10.086 -7.118 1.00 0.00 N ATOM 544 CA GLY A 125 48.935 10.870 -8.348 1.00 0.00 C ATOM 545 C GLY A 125 50.043 10.354 -9.260 1.00 0.00 C ATOM 546 O GLY A 125 50.476 11.043 -10.184 1.00 0.00 O ATOM 0 H GLY A 125 47.963 9.652 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 125 47.978 10.822 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 125 49.115 11.918 -8.107 1.00 0.00 H new ATOM 550 N GLU A 126 50.496 9.132 -8.989 1.00 0.00 N ATOM 551 CA GLU A 126 51.557 8.525 -9.790 1.00 0.00 C ATOM 552 C GLU A 126 52.583 9.575 -10.203 1.00 0.00 C ATOM 553 O GLU A 126 53.162 9.507 -11.287 1.00 0.00 O ATOM 554 CB GLU A 126 50.974 7.876 -11.048 1.00 0.00 C ATOM 555 CG GLU A 126 50.283 8.942 -11.900 1.00 0.00 C ATOM 556 CD GLU A 126 50.173 8.453 -13.340 1.00 0.00 C ATOM 557 OE1 GLU A 126 49.197 7.789 -13.646 1.00 0.00 O ATOM 558 OE2 GLU A 126 51.067 8.750 -14.115 1.00 0.00 O ATOM 0 H GLU A 126 50.149 8.547 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 126 52.043 7.763 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.766 7.394 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.262 7.098 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 126 49.291 9.155 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.848 9.874 -11.864 1.00 0.00 H new ATOM 565 N THR A 127 52.801 10.550 -9.324 1.00 0.00 N ATOM 566 CA THR A 127 53.760 11.615 -9.604 1.00 0.00 C ATOM 567 C THR A 127 55.184 11.136 -9.338 1.00 0.00 C ATOM 568 O THR A 127 55.916 11.733 -8.549 1.00 0.00 O ATOM 569 CB THR A 127 53.475 12.836 -8.727 1.00 0.00 C ATOM 570 OG1 THR A 127 54.424 13.855 -9.013 1.00 0.00 O ATOM 571 CG2 THR A 127 53.573 12.441 -7.253 1.00 0.00 C ATOM 0 H THR A 127 52.332 10.625 -8.421 1.00 0.00 H new ATOM 0 HA THR A 127 53.659 11.889 -10.654 1.00 0.00 H new ATOM 0 HB THR A 127 52.471 13.207 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 127 55.323 13.538 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 127 53.370 13.311 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 127 52.843 11.661 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 127 54.576 12.069 -7.042 1.00 0.00 H new ATOM 579 N ILE A 128 55.567 10.052 -10.005 1.00 0.00 N ATOM 580 CA ILE A 128 56.908 9.501 -9.832 1.00 0.00 C ATOM 581 C ILE A 128 57.340 8.741 -11.080 1.00 0.00 C ATOM 582 O ILE A 128 56.514 8.184 -11.805 1.00 0.00 O ATOM 583 CB ILE A 128 56.949 8.550 -8.635 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.708 9.338 -7.345 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.319 7.872 -8.569 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.891 10.273 -7.087 1.00 0.00 C ATOM 0 H ILE A 128 54.977 9.542 -10.663 1.00 0.00 H new ATOM 0 HA ILE A 128 57.589 10.334 -9.658 1.00 0.00 H new ATOM 0 HB ILE A 128 56.173 7.793 -8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.787 9.915 -7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.583 8.653 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.349 7.194 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.491 7.309 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.095 8.629 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.718 10.833 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 128 58.804 9.686 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.995 10.967 -7.921 1.00 0.00 H new ATOM 598 N THR A 129 58.647 8.721 -11.318 1.00 0.00 N ATOM 599 CA THR A 129 59.193 8.023 -12.479 1.00 0.00 C ATOM 600 C THR A 129 60.233 7.000 -12.033 1.00 0.00 C ATOM 601 O THR A 129 60.362 6.705 -10.845 1.00 0.00 O ATOM 602 CB THR A 129 59.850 9.016 -13.440 1.00 0.00 C ATOM 603 OG1 THR A 129 60.430 8.309 -14.527 1.00 0.00 O ATOM 604 CG2 THR A 129 60.934 9.801 -12.702 1.00 0.00 C ATOM 0 H THR A 129 59.344 9.176 -10.728 1.00 0.00 H new ATOM 0 HA THR A 129 58.374 7.516 -12.989 1.00 0.00 H new ATOM 0 HB THR A 129 59.098 9.708 -13.818 1.00 0.00 H new ATOM 0 HG1 THR A 129 60.850 8.944 -15.144 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.401 10.508 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 129 60.487 10.344 -11.869 1.00 0.00 H new ATOM 0 HG23 THR A 129 61.688 9.111 -12.322 1.00 0.00 H new ATOM 612 N GLU A 130 60.975 6.462 -12.996 1.00 0.00 N ATOM 613 CA GLU A 130 62.003 5.471 -12.685 1.00 0.00 C ATOM 614 C GLU A 130 63.149 6.120 -11.915 1.00 0.00 C ATOM 615 O GLU A 130 64.294 6.124 -12.366 1.00 0.00 O ATOM 616 CB GLU A 130 62.555 4.848 -13.969 1.00 0.00 C ATOM 617 CG GLU A 130 61.530 3.869 -14.547 1.00 0.00 C ATOM 618 CD GLU A 130 60.264 4.626 -14.933 1.00 0.00 C ATOM 619 OE1 GLU A 130 60.351 5.490 -15.790 1.00 0.00 O ATOM 620 OE2 GLU A 130 59.224 4.328 -14.368 1.00 0.00 O ATOM 0 H GLU A 130 60.887 6.691 -13.986 1.00 0.00 H new ATOM 0 HA GLU A 130 61.547 4.693 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 130 62.778 5.628 -14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 130 63.491 4.329 -13.760 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.945 3.365 -15.420 1.00 0.00 H new ATOM 0 HG3 GLU A 130 61.295 3.097 -13.814 1.00 0.00 H new ATOM 627 N ASP A 131 62.827 6.668 -10.746 1.00 0.00 N ATOM 628 CA ASP A 131 63.838 7.320 -9.917 1.00 0.00 C ATOM 629 C ASP A 131 63.612 6.991 -8.445 1.00 0.00 C ATOM 630 O ASP A 131 64.520 6.537 -7.749 1.00 0.00 O ATOM 631 CB ASP A 131 63.786 8.837 -10.102 1.00 0.00 C ATOM 632 CG ASP A 131 65.094 9.319 -10.720 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.400 8.890 -11.821 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.771 10.111 -10.085 1.00 0.00 O ATOM 0 H ASP A 131 61.885 6.674 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 131 64.816 6.951 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 131 62.947 9.107 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 131 63.623 9.326 -9.141 1.00 0.00 H new ATOM 639 N ASP A 132 62.389 7.226 -7.979 1.00 0.00 N ATOM 640 CA ASP A 132 62.048 6.952 -6.586 1.00 0.00 C ATOM 641 C ASP A 132 61.617 5.498 -6.413 1.00 0.00 C ATOM 642 O ASP A 132 61.350 5.044 -5.301 1.00 0.00 O ATOM 643 CB ASP A 132 60.910 7.865 -6.125 1.00 0.00 C ATOM 644 CG ASP A 132 61.487 9.055 -5.366 1.00 0.00 C ATOM 645 OD1 ASP A 132 62.584 9.471 -5.699 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.822 9.534 -4.462 1.00 0.00 O ATOM 0 H ASP A 132 61.624 7.602 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 132 62.936 7.140 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.337 8.212 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.222 7.312 -5.486 1.00 0.00 H new ATOM 651 N ILE A 133 61.548 4.772 -7.524 1.00 0.00 N ATOM 652 CA ILE A 133 61.144 3.371 -7.478 1.00 0.00 C ATOM 653 C ILE A 133 62.355 2.467 -7.253 1.00 0.00 C ATOM 654 O ILE A 133 62.341 1.590 -6.391 1.00 0.00 O ATOM 655 CB ILE A 133 60.449 2.977 -8.784 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.049 3.595 -8.817 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.332 1.453 -8.875 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.742 4.091 -10.231 1.00 0.00 C ATOM 0 H ILE A 133 61.764 5.125 -8.457 1.00 0.00 H new ATOM 0 HA ILE A 133 60.450 3.245 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 133 61.036 3.342 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.307 2.858 -8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 133 58.988 4.422 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.836 1.181 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.327 1.010 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.749 1.082 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.745 4.531 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.477 4.842 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.785 3.254 -10.928 1.00 0.00 H new ATOM 670 N GLU A 134 63.398 2.683 -8.048 1.00 0.00 N ATOM 671 CA GLU A 134 64.610 1.874 -7.937 1.00 0.00 C ATOM 672 C GLU A 134 65.470 2.338 -6.765 1.00 0.00 C ATOM 673 O GLU A 134 65.889 1.537 -5.929 1.00 0.00 O ATOM 674 CB GLU A 134 65.432 1.970 -9.223 1.00 0.00 C ATOM 675 CG GLU A 134 65.201 0.720 -10.074 1.00 0.00 C ATOM 676 CD GLU A 134 66.153 0.734 -11.265 1.00 0.00 C ATOM 677 OE1 GLU A 134 66.882 1.703 -11.404 1.00 0.00 O ATOM 678 OE2 GLU A 134 66.139 -0.223 -12.020 1.00 0.00 O ATOM 0 H GLU A 134 63.431 3.403 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 134 64.305 0.841 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.148 2.861 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.491 2.069 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 134 65.364 -0.176 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 134 64.168 0.689 -10.421 1.00 0.00 H new ATOM 685 N GLU A 135 65.739 3.638 -6.721 1.00 0.00 N ATOM 686 CA GLU A 135 66.563 4.202 -5.655 1.00 0.00 C ATOM 687 C GLU A 135 65.851 4.115 -4.307 1.00 0.00 C ATOM 688 O GLU A 135 66.264 3.372 -3.418 1.00 0.00 O ATOM 689 CB GLU A 135 66.891 5.666 -5.953 1.00 0.00 C ATOM 690 CG GLU A 135 67.793 5.745 -7.186 1.00 0.00 C ATOM 691 CD GLU A 135 68.774 6.902 -7.026 1.00 0.00 C ATOM 692 OE1 GLU A 135 68.371 7.926 -6.501 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.914 6.746 -7.432 1.00 0.00 O ATOM 0 H GLU A 135 65.403 4.317 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 135 67.484 3.622 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 135 65.973 6.228 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 135 67.388 6.120 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.336 4.809 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 135 67.190 5.887 -8.083 1.00 0.00 H new ATOM 700 N LEU A 136 64.782 4.891 -4.163 1.00 0.00 N ATOM 701 CA LEU A 136 64.023 4.905 -2.915 1.00 0.00 C ATOM 702 C LEU A 136 63.839 3.491 -2.371 1.00 0.00 C ATOM 703 O LEU A 136 63.756 3.284 -1.161 1.00 0.00 O ATOM 704 CB LEU A 136 62.646 5.533 -3.134 1.00 0.00 C ATOM 705 CG LEU A 136 62.318 6.462 -1.965 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.085 7.298 -2.307 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.035 5.625 -0.715 1.00 0.00 C ATOM 0 H LEU A 136 64.423 5.514 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 136 64.587 5.496 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.634 6.091 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 136 61.888 4.754 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 136 63.164 7.123 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.852 7.960 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.285 7.893 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.238 6.638 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.801 6.286 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.189 4.964 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.914 5.028 -0.470 1.00 0.00 H new ATOM 719 N MET A 137 63.771 2.519 -3.276 1.00 0.00 N ATOM 720 CA MET A 137 63.591 1.128 -2.866 1.00 0.00 C ATOM 721 C MET A 137 64.941 0.448 -2.664 1.00 0.00 C ATOM 722 O MET A 137 65.289 0.044 -1.554 1.00 0.00 O ATOM 723 CB MET A 137 62.797 0.356 -3.921 1.00 0.00 C ATOM 724 CG MET A 137 62.037 -0.792 -3.254 1.00 0.00 C ATOM 725 SD MET A 137 63.047 -2.294 -3.306 1.00 0.00 S ATOM 726 CE MET A 137 61.694 -3.483 -3.135 1.00 0.00 C ATOM 0 H MET A 137 63.837 2.664 -4.284 1.00 0.00 H new ATOM 0 HA MET A 137 63.041 1.127 -1.925 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.098 1.024 -4.425 1.00 0.00 H new ATOM 0 HB3 MET A 137 63.471 -0.035 -4.683 1.00 0.00 H new ATOM 0 HG2 MET A 137 61.801 -0.535 -2.221 1.00 0.00 H new ATOM 0 HG3 MET A 137 61.089 -0.960 -3.765 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.016 -4.456 -3.506 1.00 0.00 H new ATOM 0 HE2 MET A 137 61.416 -3.569 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 137 60.834 -3.141 -3.711 1.00 0.00 H new ATOM 736 N LYS A 138 65.696 0.323 -3.752 1.00 0.00 N ATOM 737 CA LYS A 138 67.010 -0.315 -3.690 1.00 0.00 C ATOM 738 C LYS A 138 67.877 0.337 -2.618 1.00 0.00 C ATOM 739 O LYS A 138 68.859 -0.245 -2.157 1.00 0.00 O ATOM 740 CB LYS A 138 67.722 -0.206 -5.040 1.00 0.00 C ATOM 741 CG LYS A 138 69.000 -1.047 -5.013 1.00 0.00 C ATOM 742 CD LYS A 138 69.691 -0.971 -6.377 1.00 0.00 C ATOM 743 CE LYS A 138 70.957 -0.120 -6.262 1.00 0.00 C ATOM 744 NZ LYS A 138 70.977 0.892 -7.357 1.00 0.00 N ATOM 0 H LYS A 138 65.425 0.651 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 138 66.858 -1.365 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 138 67.065 -0.550 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 138 67.964 0.835 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 138 69.670 -0.684 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 138 68.761 -2.083 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 138 69.944 -1.973 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 138 69.015 -0.539 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.987 0.377 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 138 71.841 -0.754 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 71.838 1.471 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.967 0.408 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 70.140 1.504 -7.279 1.00 0.00 H new ATOM 758 N ASP A 139 67.505 1.552 -2.226 1.00 0.00 N ATOM 759 CA ASP A 139 68.260 2.276 -1.207 1.00 0.00 C ATOM 760 C ASP A 139 67.916 1.761 0.189 1.00 0.00 C ATOM 761 O ASP A 139 68.481 2.210 1.186 1.00 0.00 O ATOM 762 CB ASP A 139 67.949 3.773 -1.274 1.00 0.00 C ATOM 763 CG ASP A 139 68.768 4.511 -0.222 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.952 4.700 -0.446 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.199 4.878 0.794 1.00 0.00 O ATOM 0 H ASP A 139 66.695 2.052 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 139 69.320 2.113 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 139 68.180 4.159 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.885 3.942 -1.106 1.00 0.00 H new ATOM 770 N GLY A 140 66.984 0.813 0.253 1.00 0.00 N ATOM 771 CA GLY A 140 66.576 0.248 1.536 1.00 0.00 C ATOM 772 C GLY A 140 66.562 -1.275 1.477 1.00 0.00 C ATOM 773 O GLY A 140 65.765 -1.930 2.150 1.00 0.00 O ATOM 0 H GLY A 140 66.502 0.424 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 140 67.259 0.580 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.585 0.615 1.801 1.00 0.00 H new ATOM 777 N ASP A 141 67.453 -1.832 0.664 1.00 0.00 N ATOM 778 CA ASP A 141 67.538 -3.282 0.520 1.00 0.00 C ATOM 779 C ASP A 141 68.895 -3.786 0.999 1.00 0.00 C ATOM 780 O ASP A 141 69.605 -4.486 0.275 1.00 0.00 O ATOM 781 CB ASP A 141 67.343 -3.686 -0.942 1.00 0.00 C ATOM 782 CG ASP A 141 66.544 -4.983 -1.010 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.451 -5.653 0.006 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.035 -5.287 -2.076 1.00 0.00 O ATOM 0 H ASP A 141 68.121 -1.308 0.099 1.00 0.00 H new ATOM 0 HA ASP A 141 66.750 -3.728 1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.821 -2.896 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.311 -3.817 -1.426 1.00 0.00 H new ATOM 789 N LYS A 142 69.247 -3.426 2.230 1.00 0.00 N ATOM 790 CA LYS A 142 70.521 -3.851 2.801 1.00 0.00 C ATOM 791 C LYS A 142 70.694 -5.357 2.634 1.00 0.00 C ATOM 792 O LYS A 142 71.769 -5.837 2.275 1.00 0.00 O ATOM 793 CB LYS A 142 70.586 -3.499 4.289 1.00 0.00 C ATOM 794 CG LYS A 142 71.680 -2.452 4.517 1.00 0.00 C ATOM 795 CD LYS A 142 71.582 -1.914 5.946 1.00 0.00 C ATOM 796 CE LYS A 142 72.933 -2.072 6.645 1.00 0.00 C ATOM 797 NZ LYS A 142 73.076 -1.022 7.693 1.00 0.00 N ATOM 0 H LYS A 142 68.675 -2.847 2.845 1.00 0.00 H new ATOM 0 HA LYS A 142 71.321 -3.331 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.623 -3.114 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.795 -4.393 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.662 -2.895 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 142 71.572 -1.636 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 142 71.289 -0.864 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 142 70.811 -2.453 6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.008 -3.062 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 142 73.742 -1.989 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 73.995 -1.129 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 73.022 -0.082 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 72.311 -1.122 8.391 1.00 0.00 H new ATOM 811 N ASN A 143 69.618 -6.095 2.892 1.00 0.00 N ATOM 812 CA ASN A 143 69.655 -7.549 2.761 1.00 0.00 C ATOM 813 C ASN A 143 69.880 -7.946 1.304 1.00 0.00 C ATOM 814 O ASN A 143 70.143 -9.109 0.996 1.00 0.00 O ATOM 815 CB ASN A 143 68.343 -8.168 3.248 1.00 0.00 C ATOM 816 CG ASN A 143 68.132 -7.829 4.720 1.00 0.00 C ATOM 817 OD1 ASN A 143 69.093 -7.616 5.459 1.00 0.00 O ATOM 818 ND2 ASN A 143 66.917 -7.766 5.196 1.00 0.00 N ATOM 0 H ASN A 143 68.719 -5.716 3.190 1.00 0.00 H new ATOM 0 HA ASN A 143 70.478 -7.920 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 143 67.510 -7.792 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.367 -9.249 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 143 66.765 -7.540 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 143 66.120 -7.942 4.584 1.00 0.00 H new ATOM 825 N ASN A 144 69.772 -6.964 0.410 1.00 0.00 N ATOM 826 CA ASN A 144 69.964 -7.213 -1.017 1.00 0.00 C ATOM 827 C ASN A 144 69.274 -8.507 -1.437 1.00 0.00 C ATOM 828 O ASN A 144 69.906 -9.417 -1.974 1.00 0.00 O ATOM 829 CB ASN A 144 71.455 -7.310 -1.351 1.00 0.00 C ATOM 830 CG ASN A 144 72.145 -8.227 -0.346 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.205 -9.440 -0.543 1.00 0.00 O ATOM 832 ND2 ASN A 144 72.674 -7.713 0.730 1.00 0.00 N ATOM 0 H ASN A 144 69.554 -5.996 0.646 1.00 0.00 H new ATOM 0 HA ASN A 144 69.524 -6.377 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.587 -7.696 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 144 71.909 -6.319 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 144 73.138 -8.317 1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 144 72.624 -6.707 0.893 1.00 0.00 H new ATOM 839 N ASP A 145 67.969 -8.576 -1.192 1.00 0.00 N ATOM 840 CA ASP A 145 67.199 -9.765 -1.554 1.00 0.00 C ATOM 841 C ASP A 145 66.114 -9.413 -2.568 1.00 0.00 C ATOM 842 O ASP A 145 65.596 -10.281 -3.270 1.00 0.00 O ATOM 843 CB ASP A 145 66.545 -10.381 -0.316 1.00 0.00 C ATOM 844 CG ASP A 145 66.890 -11.864 -0.245 1.00 0.00 C ATOM 845 OD1 ASP A 145 67.238 -12.420 -1.274 1.00 0.00 O ATOM 846 OD2 ASP A 145 66.801 -12.423 0.836 1.00 0.00 O ATOM 0 H ASP A 145 67.427 -7.834 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 145 67.887 -10.486 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 145 66.892 -9.872 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 145 65.464 -10.250 -0.359 1.00 0.00 H new ATOM 851 N GLY A 146 65.777 -8.128 -2.637 1.00 0.00 N ATOM 852 CA GLY A 146 64.751 -7.668 -3.569 1.00 0.00 C ATOM 853 C GLY A 146 63.443 -7.393 -2.837 1.00 0.00 C ATOM 854 O GLY A 146 62.359 -7.694 -3.337 1.00 0.00 O ATOM 0 H GLY A 146 66.194 -7.393 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.089 -6.762 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 146 64.590 -8.420 -4.341 1.00 0.00 H new ATOM 858 N ARG A 147 63.557 -6.817 -1.644 1.00 0.00 N ATOM 859 CA ARG A 147 62.377 -6.501 -0.844 1.00 0.00 C ATOM 860 C ARG A 147 62.784 -5.802 0.449 1.00 0.00 C ATOM 861 O ARG A 147 63.947 -5.444 0.638 1.00 0.00 O ATOM 862 CB ARG A 147 61.599 -7.773 -0.503 1.00 0.00 C ATOM 863 CG ARG A 147 62.568 -8.952 -0.391 1.00 0.00 C ATOM 864 CD ARG A 147 61.900 -10.092 0.378 1.00 0.00 C ATOM 865 NE ARG A 147 62.443 -11.382 -0.040 1.00 0.00 N ATOM 866 CZ ARG A 147 62.100 -12.505 0.584 1.00 0.00 C ATOM 867 NH1 ARG A 147 61.258 -12.469 1.580 1.00 0.00 N ATOM 868 NH2 ARG A 147 62.605 -13.645 0.199 1.00 0.00 N ATOM 0 H ARG A 147 64.445 -6.561 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 147 61.741 -5.839 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.060 -7.641 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 147 60.854 -7.973 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 147 62.860 -9.292 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.479 -8.640 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.055 -9.956 1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 147 60.824 -10.072 0.207 1.00 0.00 H new ATOM 0 HE ARG A 147 63.096 -11.422 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 147 60.862 -11.579 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 147 60.996 -13.331 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 147 63.263 -13.674 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 147 62.342 -14.507 0.677 1.00 0.00 H new ATOM 882 N ILE A 148 61.812 -5.608 1.336 1.00 0.00 N ATOM 883 CA ILE A 148 62.079 -4.945 2.610 1.00 0.00 C ATOM 884 C ILE A 148 61.797 -5.887 3.777 1.00 0.00 C ATOM 885 O ILE A 148 60.864 -6.689 3.736 1.00 0.00 O ATOM 886 CB ILE A 148 61.202 -3.700 2.752 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.227 -2.908 1.442 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.732 -2.825 3.889 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.630 -2.340 1.209 1.00 0.00 C ATOM 0 H ILE A 148 60.843 -5.896 1.200 1.00 0.00 H new ATOM 0 HA ILE A 148 63.130 -4.658 2.626 1.00 0.00 H new ATOM 0 HB ILE A 148 60.179 -4.001 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.943 -3.553 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.498 -2.098 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.106 -1.939 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.713 -3.389 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.756 -2.523 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.644 -1.777 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.897 -1.681 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.348 -3.158 1.150 1.00 0.00 H new ATOM 901 N ASP A 149 62.616 -5.777 4.822 1.00 0.00 N ATOM 902 CA ASP A 149 62.449 -6.620 6.004 1.00 0.00 C ATOM 903 C ASP A 149 62.256 -5.756 7.248 1.00 0.00 C ATOM 904 O ASP A 149 62.691 -4.605 7.295 1.00 0.00 O ATOM 905 CB ASP A 149 63.674 -7.516 6.202 1.00 0.00 C ATOM 906 CG ASP A 149 63.481 -8.374 7.448 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.679 -7.857 8.535 1.00 0.00 O ATOM 908 OD2 ASP A 149 63.138 -9.535 7.297 1.00 0.00 O ATOM 0 H ASP A 149 63.394 -5.119 4.874 1.00 0.00 H new ATOM 0 HA ASP A 149 61.568 -7.243 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.818 -8.152 5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.572 -6.906 6.303 1.00 0.00 H new ATOM 913 N TYR A 150 61.597 -6.323 8.257 1.00 0.00 N ATOM 914 CA TYR A 150 61.350 -5.593 9.500 1.00 0.00 C ATOM 915 C TYR A 150 62.562 -4.742 9.867 1.00 0.00 C ATOM 916 O TYR A 150 62.466 -3.520 9.993 1.00 0.00 O ATOM 917 CB TYR A 150 61.055 -6.564 10.645 1.00 0.00 C ATOM 918 CG TYR A 150 60.087 -5.924 11.612 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.708 -6.074 11.423 1.00 0.00 C ATOM 920 CD2 TYR A 150 60.568 -5.182 12.697 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.810 -5.482 12.320 1.00 0.00 C ATOM 922 CE2 TYR A 150 59.670 -4.590 13.594 1.00 0.00 C ATOM 923 CZ TYR A 150 58.291 -4.739 13.405 1.00 0.00 C ATOM 924 OH TYR A 150 57.406 -4.156 14.289 1.00 0.00 O ATOM 0 H TYR A 150 61.228 -7.274 8.240 1.00 0.00 H new ATOM 0 HA TYR A 150 60.486 -4.947 9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.634 -7.489 10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.979 -6.827 11.160 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.337 -6.646 10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 150 61.632 -5.066 12.843 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.746 -5.599 12.175 1.00 0.00 H new ATOM 0 HE2 TYR A 150 60.042 -4.018 14.432 1.00 0.00 H new ATOM 0 HH TYR A 150 57.905 -3.678 14.984 1.00 0.00 H new ATOM 934 N ASP A 151 63.704 -5.401 10.036 1.00 0.00 N ATOM 935 CA ASP A 151 64.935 -4.697 10.387 1.00 0.00 C ATOM 936 C ASP A 151 65.108 -3.463 9.507 1.00 0.00 C ATOM 937 O ASP A 151 65.054 -2.330 9.984 1.00 0.00 O ATOM 938 CB ASP A 151 66.148 -5.611 10.203 1.00 0.00 C ATOM 939 CG ASP A 151 66.832 -5.831 11.548 1.00 0.00 C ATOM 940 OD1 ASP A 151 66.213 -5.546 12.560 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.966 -6.282 11.547 1.00 0.00 O ATOM 0 H ASP A 151 63.804 -6.411 9.937 1.00 0.00 H new ATOM 0 HA ASP A 151 64.864 -4.396 11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.835 -6.567 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.848 -5.165 9.496 1.00 0.00 H new ATOM 946 N GLU A 152 65.311 -3.699 8.214 1.00 0.00 N ATOM 947 CA GLU A 152 65.486 -2.602 7.268 1.00 0.00 C ATOM 948 C GLU A 152 64.366 -1.584 7.440 1.00 0.00 C ATOM 949 O GLU A 152 64.610 -0.389 7.606 1.00 0.00 O ATOM 950 CB GLU A 152 65.467 -3.129 5.832 1.00 0.00 C ATOM 951 CG GLU A 152 66.400 -4.336 5.712 1.00 0.00 C ATOM 952 CD GLU A 152 66.560 -4.711 4.243 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.559 -4.732 3.545 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.680 -4.972 3.837 1.00 0.00 O ATOM 0 H GLU A 152 65.358 -4.630 7.801 1.00 0.00 H new ATOM 0 HA GLU A 152 66.447 -2.128 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.452 -3.412 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.781 -2.345 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.372 -4.102 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 152 65.995 -5.179 6.272 1.00 0.00 H new ATOM 961 N PHE A 153 63.133 -2.078 7.405 1.00 0.00 N ATOM 962 CA PHE A 153 61.967 -1.216 7.566 1.00 0.00 C ATOM 963 C PHE A 153 62.081 -0.410 8.856 1.00 0.00 C ATOM 964 O PHE A 153 61.572 0.706 8.959 1.00 0.00 O ATOM 965 CB PHE A 153 60.692 -2.059 7.618 1.00 0.00 C ATOM 966 CG PHE A 153 59.491 -1.176 7.385 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.399 -0.417 6.213 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.468 -1.118 8.339 1.00 0.00 C ATOM 969 CE1 PHE A 153 58.284 0.400 5.994 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.354 -0.300 8.121 1.00 0.00 C ATOM 971 CZ PHE A 153 57.261 0.459 6.948 1.00 0.00 C ATOM 0 H PHE A 153 62.915 -3.065 7.267 1.00 0.00 H new ATOM 0 HA PHE A 153 61.922 -0.537 6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.731 -2.843 6.862 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.610 -2.553 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 153 60.188 -0.462 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.539 -1.705 9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 153 58.213 0.985 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.566 -0.254 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.401 1.090 6.779 1.00 0.00 H new ATOM 981 N LEU A 154 62.755 -0.998 9.841 1.00 0.00 N ATOM 982 CA LEU A 154 62.936 -0.342 11.134 1.00 0.00 C ATOM 983 C LEU A 154 63.742 0.945 10.981 1.00 0.00 C ATOM 984 O LEU A 154 63.329 2.010 11.440 1.00 0.00 O ATOM 985 CB LEU A 154 63.669 -1.274 12.103 1.00 0.00 C ATOM 986 CG LEU A 154 62.890 -1.368 13.416 1.00 0.00 C ATOM 987 CD1 LEU A 154 62.939 -0.020 14.136 1.00 0.00 C ATOM 988 CD2 LEU A 154 61.434 -1.736 13.123 1.00 0.00 C ATOM 0 H LEU A 154 63.183 -1.921 9.770 1.00 0.00 H new ATOM 0 HA LEU A 154 61.948 -0.102 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.775 -2.264 11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 154 64.675 -0.900 12.292 1.00 0.00 H new ATOM 0 HG LEU A 154 63.338 -2.135 14.048 1.00 0.00 H new ATOM 0 HD11 LEU A 154 62.384 -0.087 15.072 1.00 0.00 H new ATOM 0 HD12 LEU A 154 63.976 0.242 14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.492 0.747 13.503 1.00 0.00 H new ATOM 0 HD21 LEU A 154 60.880 -1.803 14.059 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.986 -0.970 12.490 1.00 0.00 H new ATOM 0 HD23 LEU A 154 61.398 -2.697 12.611 1.00 0.00 H new ATOM 1000 N GLU A 155 64.900 0.833 10.339 1.00 0.00 N ATOM 1001 CA GLU A 155 65.765 1.994 10.138 1.00 0.00 C ATOM 1002 C GLU A 155 65.191 2.921 9.071 1.00 0.00 C ATOM 1003 O GLU A 155 64.926 4.096 9.326 1.00 0.00 O ATOM 1004 CB GLU A 155 67.164 1.549 9.708 1.00 0.00 C ATOM 1005 CG GLU A 155 68.171 1.898 10.805 1.00 0.00 C ATOM 1006 CD GLU A 155 69.578 1.545 10.336 1.00 0.00 C ATOM 1007 OE1 GLU A 155 70.122 2.295 9.542 1.00 0.00 O ATOM 1008 OE2 GLU A 155 70.091 0.529 10.775 1.00 0.00 O ATOM 0 H GLU A 155 65.260 -0.039 9.952 1.00 0.00 H new ATOM 0 HA GLU A 155 65.825 2.530 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 155 67.174 0.476 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 155 67.442 2.039 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.112 2.960 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.933 1.353 11.718 1.00 0.00 H new ATOM 1015 N PHE A 156 65.012 2.381 7.869 1.00 0.00 N ATOM 1016 CA PHE A 156 64.479 3.168 6.760 1.00 0.00 C ATOM 1017 C PHE A 156 63.160 3.827 7.151 1.00 0.00 C ATOM 1018 O PHE A 156 62.944 5.012 6.896 1.00 0.00 O ATOM 1019 CB PHE A 156 64.250 2.281 5.535 1.00 0.00 C ATOM 1020 CG PHE A 156 64.332 3.121 4.283 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.258 3.943 3.920 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.482 3.079 3.484 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.334 4.723 2.760 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.557 3.859 2.324 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.483 4.681 1.962 1.00 0.00 C ATOM 0 H PHE A 156 65.226 1.411 7.638 1.00 0.00 H new ATOM 0 HA PHE A 156 65.209 3.940 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.996 1.487 5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.275 1.799 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.371 3.975 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 156 66.311 2.445 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 156 62.506 5.357 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.444 3.827 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.541 5.283 1.067 1.00 0.00 H new ATOM 1035 N MET A 157 62.278 3.048 7.769 1.00 0.00 N ATOM 1036 CA MET A 157 60.980 3.570 8.186 1.00 0.00 C ATOM 1037 C MET A 157 60.840 3.512 9.704 1.00 0.00 C ATOM 1038 O MET A 157 60.080 2.707 10.242 1.00 0.00 O ATOM 1039 CB MET A 157 59.848 2.762 7.548 1.00 0.00 C ATOM 1040 CG MET A 157 58.498 3.301 8.026 1.00 0.00 C ATOM 1041 SD MET A 157 58.439 5.094 7.783 1.00 0.00 S ATOM 1042 CE MET A 157 58.402 5.077 5.974 1.00 0.00 C ATOM 0 H MET A 157 62.434 2.065 7.990 1.00 0.00 H new ATOM 0 HA MET A 157 60.915 4.607 7.858 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.911 2.824 6.462 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.945 1.709 7.813 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.688 2.822 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.352 3.062 9.079 1.00 0.00 H new ATOM 0 HE1 MET A 157 58.031 6.035 5.609 1.00 0.00 H new ATOM 0 HE2 MET A 157 59.408 4.908 5.591 1.00 0.00 H new ATOM 0 HE3 MET A 157 57.744 4.278 5.631 1.00 0.00 H new ATOM 1052 N LYS A 158 61.582 4.378 10.390 1.00 0.00 N ATOM 1053 CA LYS A 158 61.532 4.421 11.849 1.00 0.00 C ATOM 1054 C LYS A 158 60.261 5.124 12.316 1.00 0.00 C ATOM 1055 O LYS A 158 60.295 6.273 12.758 1.00 0.00 O ATOM 1056 CB LYS A 158 62.746 5.166 12.408 1.00 0.00 C ATOM 1057 CG LYS A 158 63.535 4.235 13.329 1.00 0.00 C ATOM 1058 CD LYS A 158 64.979 4.133 12.836 1.00 0.00 C ATOM 1059 CE LYS A 158 65.749 5.391 13.244 1.00 0.00 C ATOM 1060 NZ LYS A 158 66.785 5.693 12.217 1.00 0.00 N ATOM 0 H LYS A 158 62.218 5.052 9.965 1.00 0.00 H new ATOM 0 HA LYS A 158 61.538 3.394 12.215 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.381 5.512 11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.422 6.050 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 158 63.514 4.614 14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.075 3.247 13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 158 65.457 3.249 13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.997 4.018 11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 158 65.064 6.233 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 158 66.218 5.244 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 67.309 6.548 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 67.444 4.892 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 66.326 5.850 11.297 1.00 0.00 H new ATOM 1074 N GLY A 159 59.139 4.419 12.212 1.00 0.00 N ATOM 1075 CA GLY A 159 57.855 4.981 12.623 1.00 0.00 C ATOM 1076 C GLY A 159 57.663 6.377 12.040 1.00 0.00 C ATOM 1077 O GLY A 159 57.613 7.368 12.768 1.00 0.00 O ATOM 0 H GLY A 159 59.091 3.466 11.850 1.00 0.00 H new ATOM 0 HA2 GLY A 159 57.046 4.330 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.804 5.026 13.711 1.00 0.00 H new ATOM 1081 N VAL A 160 57.556 6.442 10.715 1.00 0.00 N ATOM 1082 CA VAL A 160 57.369 7.723 10.037 1.00 0.00 C ATOM 1083 C VAL A 160 56.167 7.659 9.100 1.00 0.00 C ATOM 1084 O VAL A 160 55.886 6.625 8.495 1.00 0.00 O ATOM 1085 CB VAL A 160 58.612 8.088 9.224 1.00 0.00 C ATOM 1086 CG1 VAL A 160 58.719 9.609 9.109 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.858 7.542 9.925 1.00 0.00 C ATOM 0 H VAL A 160 57.595 5.633 10.095 1.00 0.00 H new ATOM 0 HA VAL A 160 57.198 8.483 10.799 1.00 0.00 H new ATOM 0 HB VAL A 160 58.534 7.653 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 160 59.605 9.869 8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 160 57.832 9.999 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 160 58.796 10.045 10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 160 60.744 7.802 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.935 7.977 10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.783 6.458 10.007 1.00 0.00 H new ATOM 1097 N GLU A 161 55.461 8.781 8.987 1.00 0.00 N ATOM 1098 CA GLU A 161 54.287 8.847 8.120 1.00 0.00 C ATOM 1099 C GLU A 161 54.696 9.228 6.701 1.00 0.00 C ATOM 1100 O GLU A 161 53.833 9.239 5.839 1.00 0.00 O ATOM 1101 CB GLU A 161 53.290 9.882 8.646 1.00 0.00 C ATOM 1102 CG GLU A 161 52.126 9.168 9.336 1.00 0.00 C ATOM 1103 CD GLU A 161 51.496 8.169 8.371 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.325 8.520 7.215 1.00 0.00 O ATOM 1105 OE2 GLU A 161 51.192 7.069 8.803 1.00 0.00 O ATOM 1106 OXT GLU A 161 55.867 9.504 6.497 1.00 0.00 O ATOM 0 H GLU A 161 55.677 9.648 9.479 1.00 0.00 H new ATOM 0 HA GLU A 161 53.818 7.863 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.784 10.555 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.919 10.495 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 161 52.480 8.653 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.381 9.895 9.661 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.561 -7.970 -0.029 1.00 0.00 CA HETATM 1115 CA CA A 3 65.713 -6.433 2.496 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.151 0.554 3.166 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.722 1.044 2.490 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.735 0.389 2.736 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.780 2.087 1.670 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.689 2.825 1.263 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.419 2.696 1.451 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.918 1.429 2.174 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.349 0.440 1.156 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.456 3.890 1.125 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.694 4.466 2.150 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.826 5.536 1.870 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.730 6.015 0.541 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.493 5.435 -0.479 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.358 4.374 -0.187 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.776 7.166 0.250 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.270 8.005 1.417 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.819 7.668 2.788 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.997 6.149 3.009 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.339 7.488 -1.030 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.708 6.848 -2.014 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.378 8.653 -1.273 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.887 9.885 -1.705 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.090 11.039 -1.636 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.648 12.245 -2.079 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.800 10.963 -1.144 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.968 12.084 -1.054 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.283 9.735 -0.710 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.070 8.580 -0.775 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.204 12.457 -3.401 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.682 12.091 -0.387 1.00 0.00 C HETATM 0 H263 EMD A 1 51.022 11.364 -0.861 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.815 11.830 0.663 1.00 0.00 H new HETATM 0 H261 EMD A 1 51.239 13.084 -0.461 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.029 11.763 -3.564 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.433 12.286 -4.152 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.569 13.481 -3.482 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.021 5.665 3.058 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.491 5.969 3.964 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.780 8.164 2.921 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.148 8.064 3.550 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.497 9.050 1.208 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.184 7.916 1.454 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.774 4.083 3.167 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.153 0.070 0.519 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.887 -0.397 1.680 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.601 0.940 0.542 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.164 1.796 2.870 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.697 2.361 1.316 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.666 7.625 -0.439 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.266 9.680 -0.321 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.903 9.948 -2.095 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.955 3.924 -0.980 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.414 5.809 -1.500 1.00 0.00 H new