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+ -161:sc= -0.596 (180deg=-1.38) USER MOD Single : A 93 SER OG : rot -93:sc=-0.00917 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -154:sc= -0.63 (180deg=-1.87!) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= -0.502 (180deg=-0.669) USER MOD Single : A 107 ASN : amide:sc= -6.03! C(o=-6!,f=-7.7!) 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 -163:sc= -0.0312 (180deg=-0.33) USER MOD Single : A 122 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.4) USER MOD Single : A 124 THR OG1 : rot -57:sc= 1.15 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -163:sc= 0 (180deg=-0.292) 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 :FLIP amide:sc= -5.82! C(o=-8.4!,f=-5.8!) USER MOD Single : A 144 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.14) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 168:sc= -2.14! (180deg=-2.44!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 55.101 11.784 16.878 1.00 0.00 N ATOM 2 CA GLY A 91 55.683 11.006 15.789 1.00 0.00 C ATOM 3 C GLY A 91 55.351 9.526 15.944 1.00 0.00 C ATOM 4 O GLY A 91 55.582 8.929 16.996 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.305 11.370 14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 91 56.764 11.141 15.777 1.00 0.00 H new ATOM 8 N LYS A 92 54.805 8.940 14.882 1.00 0.00 N ATOM 9 CA LYS A 92 54.441 7.525 14.904 1.00 0.00 C ATOM 10 C LYS A 92 55.648 6.670 15.279 1.00 0.00 C ATOM 11 O LYS A 92 56.338 6.131 14.413 1.00 0.00 O ATOM 12 CB LYS A 92 53.925 7.086 13.532 1.00 0.00 C ATOM 13 CG LYS A 92 52.462 7.505 13.378 1.00 0.00 C ATOM 14 CD LYS A 92 52.066 7.437 11.902 1.00 0.00 C ATOM 15 CE LYS A 92 50.818 6.566 11.748 1.00 0.00 C ATOM 16 NZ LYS A 92 49.852 7.235 10.832 1.00 0.00 N ATOM 0 H LYS A 92 54.606 9.417 14.003 1.00 0.00 H new ATOM 0 HA LYS A 92 53.656 7.390 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 92 54.528 7.537 12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.018 6.005 13.426 1.00 0.00 H new ATOM 0 HG2 LYS A 92 51.821 6.850 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 92 52.320 8.517 13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 92 51.872 8.439 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 92 52.885 7.024 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.091 5.588 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 92 50.356 6.399 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 48.904 6.830 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 49.827 8.254 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 50.149 7.088 9.846 1.00 0.00 H new ATOM 30 N SER A 93 55.893 6.551 16.581 1.00 0.00 N ATOM 31 CA SER A 93 57.020 5.757 17.065 1.00 0.00 C ATOM 32 C SER A 93 56.928 4.327 16.544 1.00 0.00 C ATOM 33 O SER A 93 55.882 3.891 16.064 1.00 0.00 O ATOM 34 CB SER A 93 57.037 5.730 18.592 1.00 0.00 C ATOM 35 OG SER A 93 55.735 6.024 19.081 1.00 0.00 O ATOM 0 H SER A 93 55.334 6.989 17.313 1.00 0.00 H new ATOM 0 HA SER A 93 57.938 6.218 16.699 1.00 0.00 H new ATOM 0 HB2 SER A 93 57.359 4.751 18.946 1.00 0.00 H new ATOM 0 HB3 SER A 93 57.754 6.458 18.972 1.00 0.00 H new ATOM 0 HG SER A 93 55.660 6.986 19.254 1.00 0.00 H new ATOM 41 N GLU A 94 58.038 3.602 16.646 1.00 0.00 N ATOM 42 CA GLU A 94 58.078 2.219 16.183 1.00 0.00 C ATOM 43 C GLU A 94 56.773 1.504 16.520 1.00 0.00 C ATOM 44 O GLU A 94 56.189 0.817 15.681 1.00 0.00 O ATOM 45 CB GLU A 94 59.239 1.468 16.839 1.00 0.00 C ATOM 46 CG GLU A 94 60.538 1.777 16.090 1.00 0.00 C ATOM 47 CD GLU A 94 61.732 1.376 16.951 1.00 0.00 C ATOM 48 OE1 GLU A 94 61.957 2.027 17.958 1.00 0.00 O ATOM 49 OE2 GLU A 94 62.405 0.424 16.590 1.00 0.00 O ATOM 0 H GLU A 94 58.914 3.945 17.041 1.00 0.00 H new ATOM 0 HA GLU A 94 58.217 2.232 15.102 1.00 0.00 H new ATOM 0 HB2 GLU A 94 59.331 1.762 17.885 1.00 0.00 H new ATOM 0 HB3 GLU A 94 59.046 0.395 16.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.561 1.237 15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 94 60.589 2.839 15.852 1.00 0.00 H new ATOM 56 N GLU A 95 56.324 1.671 17.761 1.00 0.00 N ATOM 57 CA GLU A 95 55.087 1.035 18.209 1.00 0.00 C ATOM 58 C GLU A 95 54.001 1.164 17.146 1.00 0.00 C ATOM 59 O GLU A 95 53.122 0.309 17.029 1.00 0.00 O ATOM 60 CB GLU A 95 54.591 1.676 19.507 1.00 0.00 C ATOM 61 CG GLU A 95 54.835 3.186 19.459 1.00 0.00 C ATOM 62 CD GLU A 95 53.803 3.897 20.328 1.00 0.00 C ATOM 63 OE1 GLU A 95 52.639 3.544 20.241 1.00 0.00 O ATOM 64 OE2 GLU A 95 54.192 4.786 21.068 1.00 0.00 O ATOM 0 H GLU A 95 56.793 2.236 18.469 1.00 0.00 H new ATOM 0 HA GLU A 95 55.300 -0.020 18.384 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.529 1.473 19.642 1.00 0.00 H new ATOM 0 HB3 GLU A 95 55.110 1.240 20.361 1.00 0.00 H new ATOM 0 HG2 GLU A 95 55.841 3.414 19.811 1.00 0.00 H new ATOM 0 HG3 GLU A 95 54.768 3.543 18.431 1.00 0.00 H new ATOM 71 N GLU A 96 54.067 2.244 16.376 1.00 0.00 N ATOM 72 CA GLU A 96 53.080 2.480 15.326 1.00 0.00 C ATOM 73 C GLU A 96 53.527 1.840 14.016 1.00 0.00 C ATOM 74 O GLU A 96 52.714 1.300 13.265 1.00 0.00 O ATOM 75 CB GLU A 96 52.882 3.980 15.105 1.00 0.00 C ATOM 76 CG GLU A 96 51.552 4.416 15.722 1.00 0.00 C ATOM 77 CD GLU A 96 51.714 4.563 17.230 1.00 0.00 C ATOM 78 OE1 GLU A 96 52.135 3.606 17.858 1.00 0.00 O ATOM 79 OE2 GLU A 96 51.414 5.632 17.737 1.00 0.00 O ATOM 0 H GLU A 96 54.785 2.964 16.456 1.00 0.00 H new ATOM 0 HA GLU A 96 52.139 2.032 15.645 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.704 4.536 15.556 1.00 0.00 H new ATOM 0 HB3 GLU A 96 52.892 4.206 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.230 5.362 15.286 1.00 0.00 H new ATOM 0 HG3 GLU A 96 50.778 3.682 15.499 1.00 0.00 H new ATOM 86 N LEU A 97 54.828 1.906 13.748 1.00 0.00 N ATOM 87 CA LEU A 97 55.367 1.326 12.522 1.00 0.00 C ATOM 88 C LEU A 97 54.808 -0.076 12.311 1.00 0.00 C ATOM 89 O LEU A 97 54.541 -0.490 11.183 1.00 0.00 O ATOM 90 CB LEU A 97 56.894 1.254 12.580 1.00 0.00 C ATOM 91 CG LEU A 97 57.480 2.074 11.430 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.983 1.811 11.326 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.801 1.669 10.120 1.00 0.00 C ATOM 0 H LEU A 97 55.520 2.348 14.353 1.00 0.00 H new ATOM 0 HA LEU A 97 55.072 1.966 11.691 1.00 0.00 H new ATOM 0 HB2 LEU A 97 57.252 1.638 13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.224 0.218 12.509 1.00 0.00 H new ATOM 0 HG LEU A 97 57.310 3.134 11.618 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.399 2.396 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.468 2.098 12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.155 0.751 11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 57.217 2.252 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.971 0.608 9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 97 55.730 1.857 10.192 1.00 0.00 H new ATOM 105 N SER A 98 54.628 -0.801 13.411 1.00 0.00 N ATOM 106 CA SER A 98 54.091 -2.155 13.334 1.00 0.00 C ATOM 107 C SER A 98 52.872 -2.177 12.419 1.00 0.00 C ATOM 108 O SER A 98 52.593 -3.174 11.752 1.00 0.00 O ATOM 109 CB SER A 98 53.687 -2.653 14.721 1.00 0.00 C ATOM 110 OG SER A 98 53.537 -4.066 14.688 1.00 0.00 O ATOM 0 H SER A 98 54.843 -0.479 14.355 1.00 0.00 H new ATOM 0 HA SER A 98 54.865 -2.809 12.933 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.443 -2.373 15.455 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.753 -2.184 15.031 1.00 0.00 H new ATOM 0 HG SER A 98 53.279 -4.388 15.577 1.00 0.00 H new ATOM 116 N ASP A 99 52.155 -1.057 12.391 1.00 0.00 N ATOM 117 CA ASP A 99 50.968 -0.942 11.549 1.00 0.00 C ATOM 118 C ASP A 99 51.376 -0.635 10.112 1.00 0.00 C ATOM 119 O ASP A 99 51.016 -1.355 9.180 1.00 0.00 O ATOM 120 CB ASP A 99 50.057 0.174 12.062 1.00 0.00 C ATOM 121 CG ASP A 99 49.550 -0.183 13.456 1.00 0.00 C ATOM 122 OD1 ASP A 99 49.925 -1.233 13.951 1.00 0.00 O ATOM 123 OD2 ASP A 99 48.793 0.600 14.007 1.00 0.00 O ATOM 0 H ASP A 99 52.372 -0.223 12.936 1.00 0.00 H new ATOM 0 HA ASP A 99 50.429 -1.889 11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.602 1.118 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.216 0.313 11.382 1.00 0.00 H new ATOM 128 N LEU A 100 52.140 0.442 9.945 1.00 0.00 N ATOM 129 CA LEU A 100 52.603 0.839 8.619 1.00 0.00 C ATOM 130 C LEU A 100 53.145 -0.372 7.868 1.00 0.00 C ATOM 131 O LEU A 100 53.123 -0.420 6.638 1.00 0.00 O ATOM 132 CB LEU A 100 53.707 1.895 8.730 1.00 0.00 C ATOM 133 CG LEU A 100 53.354 3.100 7.855 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.387 4.208 8.069 1.00 0.00 C ATOM 135 CD2 LEU A 100 53.357 2.679 6.384 1.00 0.00 C ATOM 0 H LEU A 100 52.449 1.050 10.704 1.00 0.00 H new ATOM 0 HA LEU A 100 51.757 1.259 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 100 53.822 2.208 9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 100 54.662 1.472 8.417 1.00 0.00 H new ATOM 0 HG LEU A 100 52.365 3.469 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.135 5.066 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.387 4.508 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.377 3.840 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.106 3.536 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 100 54.346 2.310 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 100 52.621 1.890 6.230 1.00 0.00 H new ATOM 147 N PHE A 101 53.628 -1.354 8.625 1.00 0.00 N ATOM 148 CA PHE A 101 54.170 -2.568 8.024 1.00 0.00 C ATOM 149 C PHE A 101 53.060 -3.348 7.331 1.00 0.00 C ATOM 150 O PHE A 101 53.131 -3.623 6.134 1.00 0.00 O ATOM 151 CB PHE A 101 54.823 -3.455 9.085 1.00 0.00 C ATOM 152 CG PHE A 101 55.991 -4.190 8.471 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.839 -4.844 7.243 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.226 -4.216 9.129 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.921 -5.524 6.672 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.309 -4.896 8.559 1.00 0.00 C ATOM 157 CZ PHE A 101 58.157 -5.550 7.330 1.00 0.00 C ATOM 0 H PHE A 101 53.655 -1.334 9.644 1.00 0.00 H new ATOM 0 HA PHE A 101 54.925 -2.276 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.161 -2.848 9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.097 -4.166 9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.886 -4.824 6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.344 -3.711 10.077 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.803 -6.028 5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.262 -4.916 9.067 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.992 -6.074 6.890 1.00 0.00 H new ATOM 167 N ARG A 102 52.023 -3.692 8.093 1.00 0.00 N ATOM 168 CA ARG A 102 50.898 -4.428 7.526 1.00 0.00 C ATOM 169 C ARG A 102 50.179 -3.543 6.514 1.00 0.00 C ATOM 170 O ARG A 102 49.599 -4.022 5.540 1.00 0.00 O ATOM 171 CB ARG A 102 49.917 -4.865 8.623 1.00 0.00 C ATOM 172 CG ARG A 102 49.008 -3.695 9.015 1.00 0.00 C ATOM 173 CD ARG A 102 47.686 -3.800 8.253 1.00 0.00 C ATOM 174 NE ARG A 102 46.699 -4.544 9.033 1.00 0.00 N ATOM 175 CZ ARG A 102 45.591 -5.016 8.468 1.00 0.00 C ATOM 176 NH1 ARG A 102 45.368 -4.815 7.199 1.00 0.00 N ATOM 177 NH2 ARG A 102 44.726 -5.680 9.186 1.00 0.00 N ATOM 0 H ARG A 102 51.939 -3.477 9.087 1.00 0.00 H new ATOM 0 HA ARG A 102 51.278 -5.324 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 102 49.314 -5.701 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.468 -5.215 9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.823 -3.708 10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.497 -2.748 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.306 -2.802 8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.850 -4.296 7.296 1.00 0.00 H new ATOM 0 HE ARG A 102 46.862 -4.704 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.043 -4.295 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 102 44.518 -5.177 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 102 44.900 -5.836 10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 102 43.876 -6.042 8.754 1.00 0.00 H new ATOM 191 N MET A 103 50.244 -2.237 6.761 1.00 0.00 N ATOM 192 CA MET A 103 49.619 -1.265 5.873 1.00 0.00 C ATOM 193 C MET A 103 50.273 -1.337 4.499 1.00 0.00 C ATOM 194 O MET A 103 49.616 -1.192 3.468 1.00 0.00 O ATOM 195 CB MET A 103 49.788 0.147 6.436 1.00 0.00 C ATOM 196 CG MET A 103 48.593 1.013 6.030 1.00 0.00 C ATOM 197 SD MET A 103 48.885 1.716 4.388 1.00 0.00 S ATOM 198 CE MET A 103 47.561 0.833 3.527 1.00 0.00 C ATOM 0 H MET A 103 50.721 -1.830 7.565 1.00 0.00 H new ATOM 0 HA MET A 103 48.557 -1.494 5.790 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.868 0.108 7.522 1.00 0.00 H new ATOM 0 HB3 MET A 103 50.712 0.589 6.064 1.00 0.00 H new ATOM 0 HG2 MET A 103 47.682 0.414 6.024 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.445 1.811 6.758 1.00 0.00 H new ATOM 0 HE1 MET A 103 47.814 0.737 2.471 1.00 0.00 H new ATOM 0 HE2 MET A 103 47.442 -0.159 3.963 1.00 0.00 H new ATOM 0 HE3 MET A 103 46.628 1.388 3.627 1.00 0.00 H new ATOM 208 N PHE A 104 51.581 -1.575 4.506 1.00 0.00 N ATOM 209 CA PHE A 104 52.344 -1.681 3.267 1.00 0.00 C ATOM 210 C PHE A 104 52.198 -3.083 2.684 1.00 0.00 C ATOM 211 O PHE A 104 52.162 -3.268 1.468 1.00 0.00 O ATOM 212 CB PHE A 104 53.824 -1.402 3.536 1.00 0.00 C ATOM 213 CG PHE A 104 54.434 -0.701 2.347 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.623 -1.392 1.145 1.00 0.00 C ATOM 215 CD2 PHE A 104 54.813 0.642 2.449 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.191 -0.740 0.044 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.381 1.295 1.349 1.00 0.00 C ATOM 218 CZ PHE A 104 55.570 0.604 0.147 1.00 0.00 C ATOM 0 H PHE A 104 52.134 -1.698 5.354 1.00 0.00 H new ATOM 0 HA PHE A 104 51.959 -0.948 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 104 53.931 -0.785 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.351 -2.336 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.331 -2.429 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 104 54.667 1.175 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.337 -1.273 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 104 55.673 2.332 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.008 1.108 -0.702 1.00 0.00 H new ATOM 228 N ASP A 105 52.114 -4.070 3.574 1.00 0.00 N ATOM 229 CA ASP A 105 51.971 -5.461 3.151 1.00 0.00 C ATOM 230 C ASP A 105 50.563 -5.717 2.620 1.00 0.00 C ATOM 231 O ASP A 105 49.579 -5.598 3.350 1.00 0.00 O ATOM 232 CB ASP A 105 52.237 -6.402 4.326 1.00 0.00 C ATOM 233 CG ASP A 105 52.951 -7.650 3.823 1.00 0.00 C ATOM 234 OD1 ASP A 105 52.607 -8.112 2.747 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.831 -8.127 4.520 1.00 0.00 O ATOM 0 H ASP A 105 52.142 -3.934 4.585 1.00 0.00 H new ATOM 0 HA ASP A 105 52.696 -5.649 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 105 52.846 -5.900 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.298 -6.676 4.807 1.00 0.00 H new ATOM 240 N LYS A 106 50.479 -6.074 1.341 1.00 0.00 N ATOM 241 CA LYS A 106 49.184 -6.349 0.721 1.00 0.00 C ATOM 242 C LYS A 106 49.105 -7.807 0.278 1.00 0.00 C ATOM 243 O LYS A 106 48.023 -8.334 0.020 1.00 0.00 O ATOM 244 CB LYS A 106 48.951 -5.448 -0.494 1.00 0.00 C ATOM 245 CG LYS A 106 50.289 -4.950 -1.040 1.00 0.00 C ATOM 246 CD LYS A 106 50.032 -4.060 -2.254 1.00 0.00 C ATOM 247 CE LYS A 106 49.471 -4.908 -3.396 1.00 0.00 C ATOM 248 NZ LYS A 106 50.154 -4.542 -4.669 1.00 0.00 N ATOM 0 H LYS A 106 51.281 -6.179 0.719 1.00 0.00 H new ATOM 0 HA LYS A 106 48.414 -6.147 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 106 48.415 -5.998 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.325 -4.601 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.825 -4.393 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.919 -5.794 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 106 49.329 -3.268 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.957 -3.576 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 106 49.618 -5.967 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.397 -4.748 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 49.954 -5.264 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 49.805 -3.619 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 51.180 -4.487 -4.509 1.00 0.00 H new ATOM 262 N ASN A 107 50.265 -8.453 0.196 1.00 0.00 N ATOM 263 CA ASN A 107 50.317 -9.854 -0.215 1.00 0.00 C ATOM 264 C ASN A 107 50.862 -10.718 0.919 1.00 0.00 C ATOM 265 O ASN A 107 50.320 -11.779 1.228 1.00 0.00 O ATOM 266 CB ASN A 107 51.207 -10.024 -1.453 1.00 0.00 C ATOM 267 CG ASN A 107 52.679 -9.968 -1.049 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.211 -10.925 -0.485 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.374 -8.894 -1.304 1.00 0.00 N ATOM 0 H ASN A 107 51.172 -8.036 0.406 1.00 0.00 H new ATOM 0 HA ASN A 107 49.303 -10.171 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 107 50.991 -10.975 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 107 50.990 -9.239 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 107 54.357 -8.847 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 107 52.934 -8.101 -1.771 1.00 0.00 H new ATOM 276 N ALA A 108 51.942 -10.246 1.533 1.00 0.00 N ATOM 277 CA ALA A 108 52.563 -10.976 2.634 1.00 0.00 C ATOM 278 C ALA A 108 52.193 -10.338 3.970 1.00 0.00 C ATOM 279 O ALA A 108 51.159 -9.683 4.096 1.00 0.00 O ATOM 280 CB ALA A 108 54.085 -10.975 2.485 1.00 0.00 C ATOM 0 H ALA A 108 52.403 -9.369 1.290 1.00 0.00 H new ATOM 0 HA ALA A 108 52.197 -12.002 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 108 54.532 -11.523 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 108 54.359 -11.453 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 108 54.450 -9.948 2.490 1.00 0.00 H new ATOM 286 N ASP A 109 53.053 -10.535 4.965 1.00 0.00 N ATOM 287 CA ASP A 109 52.812 -9.973 6.290 1.00 0.00 C ATOM 288 C ASP A 109 54.121 -9.852 7.065 1.00 0.00 C ATOM 289 O ASP A 109 54.422 -10.671 7.933 1.00 0.00 O ATOM 290 CB ASP A 109 51.845 -10.858 7.077 1.00 0.00 C ATOM 291 CG ASP A 109 52.452 -12.246 7.247 1.00 0.00 C ATOM 292 OD1 ASP A 109 53.281 -12.612 6.430 1.00 0.00 O ATOM 293 OD2 ASP A 109 52.080 -12.922 8.191 1.00 0.00 O ATOM 0 H ASP A 109 53.915 -11.074 4.881 1.00 0.00 H new ATOM 0 HA ASP A 109 52.375 -8.983 6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 109 51.642 -10.416 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 109 50.891 -10.928 6.554 1.00 0.00 H new ATOM 298 N GLY A 110 54.894 -8.818 6.744 1.00 0.00 N ATOM 299 CA GLY A 110 56.170 -8.598 7.419 1.00 0.00 C ATOM 300 C GLY A 110 57.294 -8.372 6.411 1.00 0.00 C ATOM 301 O GLY A 110 58.434 -8.098 6.787 1.00 0.00 O ATOM 0 H GLY A 110 54.663 -8.127 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 110 56.091 -7.735 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.407 -9.458 8.045 1.00 0.00 H new ATOM 305 N TYR A 111 56.965 -8.491 5.127 1.00 0.00 N ATOM 306 CA TYR A 111 57.964 -8.298 4.077 1.00 0.00 C ATOM 307 C TYR A 111 57.344 -7.609 2.865 1.00 0.00 C ATOM 308 O TYR A 111 56.326 -8.052 2.333 1.00 0.00 O ATOM 309 CB TYR A 111 58.548 -9.642 3.639 1.00 0.00 C ATOM 310 CG TYR A 111 59.328 -10.248 4.782 1.00 0.00 C ATOM 311 CD1 TYR A 111 60.681 -9.928 4.956 1.00 0.00 C ATOM 312 CD2 TYR A 111 58.699 -11.131 5.667 1.00 0.00 C ATOM 313 CE1 TYR A 111 61.403 -10.491 6.015 1.00 0.00 C ATOM 314 CE2 TYR A 111 59.421 -11.694 6.726 1.00 0.00 C ATOM 315 CZ TYR A 111 60.773 -11.373 6.901 1.00 0.00 C ATOM 316 OH TYR A 111 61.484 -11.929 7.945 1.00 0.00 O ATOM 0 H TYR A 111 56.029 -8.717 4.791 1.00 0.00 H new ATOM 0 HA TYR A 111 58.758 -7.671 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 111 57.748 -10.316 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.197 -9.504 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 111 61.167 -9.247 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 111 57.656 -11.378 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 111 62.446 -10.245 6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 111 58.935 -12.376 7.408 1.00 0.00 H new ATOM 0 HH TYR A 111 60.897 -12.517 8.464 1.00 0.00 H new ATOM 326 N ILE A 112 57.975 -6.520 2.435 1.00 0.00 N ATOM 327 CA ILE A 112 57.485 -5.772 1.281 1.00 0.00 C ATOM 328 C ILE A 112 58.468 -5.889 0.122 1.00 0.00 C ATOM 329 O ILE A 112 59.684 -5.896 0.315 1.00 0.00 O ATOM 330 CB ILE A 112 57.301 -4.295 1.637 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.209 -4.166 2.700 1.00 0.00 C ATOM 332 CG2 ILE A 112 56.890 -3.505 0.391 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.786 -3.483 3.939 1.00 0.00 C ATOM 0 H ILE A 112 58.819 -6.138 2.863 1.00 0.00 H new ATOM 0 HA ILE A 112 56.523 -6.192 0.987 1.00 0.00 H new ATOM 0 HB ILE A 112 58.241 -3.897 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.372 -3.588 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.822 -5.151 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 112 56.761 -2.455 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.665 -3.597 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 112 55.951 -3.900 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.009 -3.390 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.609 -4.079 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.152 -2.492 3.671 1.00 0.00 H new ATOM 345 N ASP A 113 57.923 -5.982 -1.085 1.00 0.00 N ATOM 346 CA ASP A 113 58.753 -6.100 -2.281 1.00 0.00 C ATOM 347 C ASP A 113 58.409 -4.998 -3.278 1.00 0.00 C ATOM 348 O ASP A 113 57.336 -4.399 -3.218 1.00 0.00 O ATOM 349 CB ASP A 113 58.551 -7.464 -2.951 1.00 0.00 C ATOM 350 CG ASP A 113 57.167 -8.009 -2.609 1.00 0.00 C ATOM 351 OD1 ASP A 113 57.000 -8.494 -1.503 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.296 -7.933 -3.460 1.00 0.00 O ATOM 0 H ASP A 113 56.919 -5.978 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 113 59.795 -6.003 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.657 -7.368 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.319 -8.161 -2.616 1.00 0.00 H new ATOM 357 N LEU A 114 59.338 -4.737 -4.193 1.00 0.00 N ATOM 358 CA LEU A 114 59.135 -3.701 -5.202 1.00 0.00 C ATOM 359 C LEU A 114 57.719 -3.768 -5.767 1.00 0.00 C ATOM 360 O LEU A 114 57.054 -2.746 -5.937 1.00 0.00 O ATOM 361 CB LEU A 114 60.135 -3.866 -6.347 1.00 0.00 C ATOM 362 CG LEU A 114 59.902 -2.772 -7.390 1.00 0.00 C ATOM 363 CD1 LEU A 114 60.035 -1.399 -6.729 1.00 0.00 C ATOM 364 CD2 LEU A 114 60.943 -2.902 -8.504 1.00 0.00 C ATOM 0 H LEU A 114 60.232 -5.224 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 114 59.286 -2.734 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.154 -3.808 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.022 -4.849 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 114 58.902 -2.878 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 114 59.869 -0.620 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 114 59.296 -1.305 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.035 -1.293 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 114 60.778 -2.123 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.942 -2.796 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.851 -3.880 -8.976 1.00 0.00 H new ATOM 376 N GLU A 115 57.268 -4.983 -6.061 1.00 0.00 N ATOM 377 CA GLU A 115 55.929 -5.175 -6.611 1.00 0.00 C ATOM 378 C GLU A 115 54.891 -4.446 -5.763 1.00 0.00 C ATOM 379 O GLU A 115 53.797 -4.132 -6.232 1.00 0.00 O ATOM 380 CB GLU A 115 55.577 -6.662 -6.658 1.00 0.00 C ATOM 381 CG GLU A 115 55.823 -7.201 -8.068 1.00 0.00 C ATOM 382 CD GLU A 115 55.394 -8.662 -8.137 1.00 0.00 C ATOM 383 OE1 GLU A 115 54.199 -8.909 -8.121 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.265 -9.513 -8.205 1.00 0.00 O ATOM 0 H GLU A 115 57.803 -5.842 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 115 55.922 -4.768 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.181 -7.212 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.534 -6.809 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.265 -6.612 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.878 -7.108 -8.325 1.00 0.00 H new ATOM 391 N GLU A 116 55.244 -4.185 -4.508 1.00 0.00 N ATOM 392 CA GLU A 116 54.331 -3.495 -3.600 1.00 0.00 C ATOM 393 C GLU A 116 54.715 -2.025 -3.464 1.00 0.00 C ATOM 394 O GLU A 116 53.855 -1.156 -3.316 1.00 0.00 O ATOM 395 CB GLU A 116 54.361 -4.147 -2.215 1.00 0.00 C ATOM 396 CG GLU A 116 54.356 -5.669 -2.367 1.00 0.00 C ATOM 397 CD GLU A 116 54.372 -6.318 -0.987 1.00 0.00 C ATOM 398 OE1 GLU A 116 53.402 -6.153 -0.266 1.00 0.00 O ATOM 399 OE2 GLU A 116 55.353 -6.971 -0.671 1.00 0.00 O ATOM 0 H GLU A 116 56.144 -4.437 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 116 53.327 -3.568 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.250 -3.828 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.498 -3.826 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.472 -5.987 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.224 -5.991 -2.942 1.00 0.00 H new ATOM 406 N LEU A 117 56.016 -1.757 -3.511 1.00 0.00 N ATOM 407 CA LEU A 117 56.505 -0.386 -3.387 1.00 0.00 C ATOM 408 C LEU A 117 55.992 0.475 -4.537 1.00 0.00 C ATOM 409 O LEU A 117 55.390 1.527 -4.324 1.00 0.00 O ATOM 410 CB LEU A 117 58.034 -0.360 -3.391 1.00 0.00 C ATOM 411 CG LEU A 117 58.536 0.255 -2.084 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.813 -0.459 -1.639 1.00 0.00 C ATOM 413 CD2 LEU A 117 58.833 1.740 -2.303 1.00 0.00 C ATOM 0 H LEU A 117 56.744 -2.461 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 117 56.136 0.015 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.425 -1.371 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.396 0.219 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 117 57.772 0.145 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.170 -0.020 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.603 -1.517 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.578 -0.350 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.191 2.181 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.597 1.849 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 117 57.923 2.250 -2.619 1.00 0.00 H new ATOM 425 N LYS A 118 56.240 0.016 -5.760 1.00 0.00 N ATOM 426 CA LYS A 118 55.805 0.751 -6.945 1.00 0.00 C ATOM 427 C LYS A 118 54.414 1.341 -6.736 1.00 0.00 C ATOM 428 O LYS A 118 54.187 2.529 -6.966 1.00 0.00 O ATOM 429 CB LYS A 118 55.775 -0.174 -8.162 1.00 0.00 C ATOM 430 CG LYS A 118 56.825 0.282 -9.176 1.00 0.00 C ATOM 431 CD LYS A 118 56.479 -0.280 -10.556 1.00 0.00 C ATOM 432 CE LYS A 118 57.517 -1.331 -10.955 1.00 0.00 C ATOM 433 NZ LYS A 118 56.834 -2.630 -11.213 1.00 0.00 N ATOM 0 H LYS A 118 56.735 -0.854 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 118 56.516 1.560 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.972 -1.201 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.785 -0.161 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.861 1.371 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.814 -0.059 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 118 55.484 -0.724 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.458 0.523 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.054 -1.007 -11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.256 -1.447 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 57.539 -3.345 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 56.340 -2.940 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.145 -2.513 -11.983 1.00 0.00 H new ATOM 447 N ILE A 119 53.484 0.497 -6.300 1.00 0.00 N ATOM 448 CA ILE A 119 52.113 0.943 -6.066 1.00 0.00 C ATOM 449 C ILE A 119 52.065 1.948 -4.919 1.00 0.00 C ATOM 450 O ILE A 119 51.250 2.868 -4.913 1.00 0.00 O ATOM 451 CB ILE A 119 51.212 -0.245 -5.724 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.028 -1.120 -6.966 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.847 0.267 -5.257 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.875 -2.386 -6.828 1.00 0.00 C ATOM 0 H ILE A 119 53.651 -0.490 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 119 51.756 1.418 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 119 51.672 -0.832 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 119 49.977 -1.384 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.322 -0.569 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.205 -0.579 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.976 0.891 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.387 0.854 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.744 -3.009 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 119 52.925 -2.112 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 119 51.560 -2.940 -5.944 1.00 0.00 H new ATOM 466 N MET A 120 52.947 1.758 -3.945 1.00 0.00 N ATOM 467 CA MET A 120 52.996 2.652 -2.792 1.00 0.00 C ATOM 468 C MET A 120 53.765 3.929 -3.119 1.00 0.00 C ATOM 469 O MET A 120 54.092 4.716 -2.231 1.00 0.00 O ATOM 470 CB MET A 120 53.668 1.954 -1.609 1.00 0.00 C ATOM 471 CG MET A 120 52.669 1.822 -0.458 1.00 0.00 C ATOM 472 SD MET A 120 52.226 0.080 -0.240 1.00 0.00 S ATOM 473 CE MET A 120 51.024 -0.022 -1.589 1.00 0.00 C ATOM 0 H MET A 120 53.631 1.002 -3.928 1.00 0.00 H new ATOM 0 HA MET A 120 51.970 2.914 -2.532 1.00 0.00 H new ATOM 0 HB2 MET A 120 54.025 0.969 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.539 2.523 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.103 2.216 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.777 2.412 -0.667 1.00 0.00 H new ATOM 0 HE1 MET A 120 50.404 -0.909 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 120 50.392 0.866 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.550 -0.085 -2.541 1.00 0.00 H new ATOM 483 N LEU A 121 54.060 4.124 -4.399 1.00 0.00 N ATOM 484 CA LEU A 121 54.803 5.305 -4.823 1.00 0.00 C ATOM 485 C LEU A 121 53.976 6.157 -5.784 1.00 0.00 C ATOM 486 O LEU A 121 53.300 7.103 -5.378 1.00 0.00 O ATOM 487 CB LEU A 121 56.101 4.881 -5.512 1.00 0.00 C ATOM 488 CG LEU A 121 57.029 4.230 -4.488 1.00 0.00 C ATOM 489 CD1 LEU A 121 58.319 3.785 -5.178 1.00 0.00 C ATOM 490 CD2 LEU A 121 57.359 5.242 -3.389 1.00 0.00 C ATOM 0 H LEU A 121 53.800 3.488 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 121 55.030 5.899 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.885 4.182 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 121 56.587 5.747 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 121 56.537 3.362 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.981 3.321 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 121 58.083 3.066 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 121 58.814 4.651 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 121 58.021 4.781 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 121 57.852 6.109 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 121 56.439 5.559 -2.898 1.00 0.00 H new ATOM 502 N GLN A 122 54.053 5.817 -7.066 1.00 0.00 N ATOM 503 CA GLN A 122 53.325 6.558 -8.097 1.00 0.00 C ATOM 504 C GLN A 122 51.825 6.582 -7.808 1.00 0.00 C ATOM 505 O GLN A 122 51.134 7.548 -8.132 1.00 0.00 O ATOM 506 CB GLN A 122 53.554 5.921 -9.470 1.00 0.00 C ATOM 507 CG GLN A 122 55.046 5.958 -9.807 1.00 0.00 C ATOM 508 CD GLN A 122 55.227 6.133 -11.311 1.00 0.00 C ATOM 509 OE1 GLN A 122 55.139 7.246 -11.829 1.00 0.00 O ATOM 510 NE2 GLN A 122 55.478 5.088 -12.051 1.00 0.00 N ATOM 0 H GLN A 122 54.609 5.037 -7.418 1.00 0.00 H new ATOM 0 HA GLN A 122 53.703 7.581 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 122 53.196 4.892 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 122 52.985 6.456 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 122 55.529 6.777 -9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 122 55.526 5.037 -9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 122 55.551 4.165 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 122 55.601 5.194 -13.058 1.00 0.00 H new ATOM 519 N ALA A 123 51.327 5.507 -7.206 1.00 0.00 N ATOM 520 CA ALA A 123 49.902 5.417 -6.892 1.00 0.00 C ATOM 521 C ALA A 123 49.522 6.400 -5.788 1.00 0.00 C ATOM 522 O ALA A 123 48.394 6.892 -5.741 1.00 0.00 O ATOM 523 CB ALA A 123 49.543 4.002 -6.436 1.00 0.00 C ATOM 0 H ALA A 123 51.879 4.695 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 123 49.350 5.664 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 123 48.479 3.953 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 123 49.776 3.293 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 123 50.118 3.750 -5.545 1.00 0.00 H new ATOM 529 N THR A 124 50.468 6.674 -4.896 1.00 0.00 N ATOM 530 CA THR A 124 50.208 7.594 -3.791 1.00 0.00 C ATOM 531 C THR A 124 50.575 9.025 -4.178 1.00 0.00 C ATOM 532 O THR A 124 50.874 9.856 -3.320 1.00 0.00 O ATOM 533 CB THR A 124 51.013 7.188 -2.555 1.00 0.00 C ATOM 534 OG1 THR A 124 50.762 8.110 -1.505 1.00 0.00 O ATOM 535 CG2 THR A 124 52.504 7.189 -2.892 1.00 0.00 C ATOM 0 H THR A 124 51.409 6.280 -4.913 1.00 0.00 H new ATOM 0 HA THR A 124 49.143 7.547 -3.564 1.00 0.00 H new ATOM 0 HB THR A 124 50.715 6.188 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 124 50.981 9.016 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 124 53.076 6.900 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 124 52.695 6.480 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 124 52.805 8.188 -3.208 1.00 0.00 H new ATOM 543 N GLY A 125 50.542 9.305 -5.478 1.00 0.00 N ATOM 544 CA GLY A 125 50.867 10.643 -5.968 1.00 0.00 C ATOM 545 C GLY A 125 52.183 11.134 -5.372 1.00 0.00 C ATOM 546 O GLY A 125 52.325 12.306 -5.025 1.00 0.00 O ATOM 0 H GLY A 125 50.297 8.633 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 125 50.938 10.629 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 125 50.065 11.335 -5.709 1.00 0.00 H new ATOM 550 N GLU A 126 53.142 10.221 -5.259 1.00 0.00 N ATOM 551 CA GLU A 126 54.449 10.561 -4.704 1.00 0.00 C ATOM 552 C GLU A 126 55.135 11.626 -5.554 1.00 0.00 C ATOM 553 O GLU A 126 56.044 12.317 -5.094 1.00 0.00 O ATOM 554 CB GLU A 126 55.342 9.322 -4.657 1.00 0.00 C ATOM 555 CG GLU A 126 55.632 8.852 -6.085 1.00 0.00 C ATOM 556 CD GLU A 126 56.922 8.041 -6.104 1.00 0.00 C ATOM 557 OE1 GLU A 126 57.651 8.100 -5.128 1.00 0.00 O ATOM 558 OE2 GLU A 126 57.162 7.372 -7.097 1.00 0.00 O ATOM 0 H GLU A 126 53.041 9.246 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 126 54.294 10.945 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 126 56.274 9.551 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 126 54.852 8.528 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 126 54.804 8.246 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 126 55.721 9.711 -6.750 1.00 0.00 H new ATOM 565 N THR A 127 54.694 11.742 -6.804 1.00 0.00 N ATOM 566 CA THR A 127 55.273 12.718 -7.724 1.00 0.00 C ATOM 567 C THR A 127 56.658 12.266 -8.174 1.00 0.00 C ATOM 568 O THR A 127 57.612 13.044 -8.178 1.00 0.00 O ATOM 569 CB THR A 127 55.386 14.088 -7.055 1.00 0.00 C ATOM 570 OG1 THR A 127 54.122 14.458 -6.523 1.00 0.00 O ATOM 571 CG2 THR A 127 55.833 15.126 -8.086 1.00 0.00 C ATOM 0 H THR A 127 53.943 11.177 -7.201 1.00 0.00 H new ATOM 0 HA THR A 127 54.616 12.795 -8.590 1.00 0.00 H new ATOM 0 HB THR A 127 56.119 14.041 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 127 54.193 15.335 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 127 55.913 16.102 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 127 56.803 14.840 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 127 55.102 15.176 -8.893 1.00 0.00 H new ATOM 579 N ILE A 128 56.755 10.995 -8.554 1.00 0.00 N ATOM 580 CA ILE A 128 58.027 10.438 -9.007 1.00 0.00 C ATOM 581 C ILE A 128 57.786 9.315 -10.010 1.00 0.00 C ATOM 582 O ILE A 128 56.645 8.942 -10.285 1.00 0.00 O ATOM 583 CB ILE A 128 58.820 9.887 -7.825 1.00 0.00 C ATOM 584 CG1 ILE A 128 58.581 10.770 -6.600 1.00 0.00 C ATOM 585 CG2 ILE A 128 60.312 9.881 -8.163 1.00 0.00 C ATOM 586 CD1 ILE A 128 59.378 10.223 -5.418 1.00 0.00 C ATOM 0 H ILE A 128 55.976 10.336 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 128 58.595 11.237 -9.483 1.00 0.00 H new ATOM 0 HB ILE A 128 58.494 8.869 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 128 58.883 11.796 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 128 57.519 10.794 -6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 128 60.875 9.487 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 128 60.484 9.254 -9.037 1.00 0.00 H new ATOM 0 HG23 ILE A 128 60.641 10.898 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 128 59.209 10.851 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 128 59.055 9.205 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 128 60.440 10.222 -5.664 1.00 0.00 H new ATOM 598 N THR A 129 58.875 8.777 -10.552 1.00 0.00 N ATOM 599 CA THR A 129 58.772 7.693 -11.523 1.00 0.00 C ATOM 600 C THR A 129 60.159 7.190 -11.908 1.00 0.00 C ATOM 601 O THR A 129 61.032 7.967 -12.295 1.00 0.00 O ATOM 602 CB THR A 129 58.046 8.169 -12.783 1.00 0.00 C ATOM 603 OG1 THR A 129 58.030 7.122 -13.742 1.00 0.00 O ATOM 604 CG2 THR A 129 58.772 9.383 -13.363 1.00 0.00 C ATOM 0 H THR A 129 59.828 9.070 -10.338 1.00 0.00 H new ATOM 0 HA THR A 129 58.206 6.883 -11.064 1.00 0.00 H new ATOM 0 HB THR A 129 57.023 8.447 -12.531 1.00 0.00 H new ATOM 0 HG1 THR A 129 57.564 7.425 -14.549 1.00 0.00 H new ATOM 0 HG21 THR A 129 58.255 9.722 -14.261 1.00 0.00 H new ATOM 0 HG22 THR A 129 58.784 10.186 -12.626 1.00 0.00 H new ATOM 0 HG23 THR A 129 59.796 9.108 -13.616 1.00 0.00 H new ATOM 612 N GLU A 130 60.351 5.879 -11.800 1.00 0.00 N ATOM 613 CA GLU A 130 61.637 5.276 -12.144 1.00 0.00 C ATOM 614 C GLU A 130 62.719 5.715 -11.161 1.00 0.00 C ATOM 615 O GLU A 130 63.205 4.924 -10.352 1.00 0.00 O ATOM 616 CB GLU A 130 62.057 5.691 -13.555 1.00 0.00 C ATOM 617 CG GLU A 130 62.715 4.506 -14.263 1.00 0.00 C ATOM 618 CD GLU A 130 64.204 4.481 -13.934 1.00 0.00 C ATOM 619 OE1 GLU A 130 64.537 4.130 -12.814 1.00 0.00 O ATOM 620 OE2 GLU A 130 64.990 4.813 -14.807 1.00 0.00 O ATOM 0 H GLU A 130 59.642 5.219 -11.481 1.00 0.00 H new ATOM 0 HA GLU A 130 61.522 4.193 -12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.188 6.028 -14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.751 6.530 -13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 130 62.246 3.574 -13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 130 62.571 4.587 -15.340 1.00 0.00 H new ATOM 627 N ASP A 131 63.094 6.986 -11.248 1.00 0.00 N ATOM 628 CA ASP A 131 64.127 7.534 -10.373 1.00 0.00 C ATOM 629 C ASP A 131 64.037 6.933 -8.972 1.00 0.00 C ATOM 630 O ASP A 131 64.932 6.211 -8.534 1.00 0.00 O ATOM 631 CB ASP A 131 63.985 9.054 -10.274 1.00 0.00 C ATOM 632 CG ASP A 131 64.329 9.686 -11.618 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.099 9.086 -12.351 1.00 0.00 O ATOM 634 OD2 ASP A 131 63.818 10.758 -11.895 1.00 0.00 O ATOM 0 H ASP A 131 62.702 7.654 -11.911 1.00 0.00 H new ATOM 0 HA ASP A 131 65.095 7.281 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 131 62.967 9.317 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.645 9.442 -9.498 1.00 0.00 H new ATOM 639 N ASP A 132 62.952 7.249 -8.270 1.00 0.00 N ATOM 640 CA ASP A 132 62.760 6.746 -6.910 1.00 0.00 C ATOM 641 C ASP A 132 62.524 5.238 -6.909 1.00 0.00 C ATOM 642 O ASP A 132 62.844 4.548 -5.943 1.00 0.00 O ATOM 643 CB ASP A 132 61.564 7.434 -6.250 1.00 0.00 C ATOM 644 CG ASP A 132 62.059 8.432 -5.209 1.00 0.00 C ATOM 645 OD1 ASP A 132 62.393 8.002 -4.117 1.00 0.00 O ATOM 646 OD2 ASP A 132 62.098 9.611 -5.519 1.00 0.00 O ATOM 0 H ASP A 132 62.199 7.844 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 132 63.668 6.965 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.965 7.946 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.919 6.692 -5.779 1.00 0.00 H new ATOM 651 N ILE A 133 61.952 4.734 -7.997 1.00 0.00 N ATOM 652 CA ILE A 133 61.668 3.304 -8.103 1.00 0.00 C ATOM 653 C ILE A 133 62.906 2.473 -7.773 1.00 0.00 C ATOM 654 O ILE A 133 62.944 1.764 -6.767 1.00 0.00 O ATOM 655 CB ILE A 133 61.197 2.958 -9.515 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.892 3.701 -9.808 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.959 1.451 -9.620 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.829 3.283 -8.791 1.00 0.00 C ATOM 0 H ILE A 133 61.678 5.285 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 133 60.881 3.070 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 133 61.958 3.255 -10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 133 60.055 4.778 -9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.552 3.476 -10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.623 1.205 -10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.887 0.920 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.197 1.152 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.899 3.812 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 133 58.659 2.209 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.170 3.530 -7.786 1.00 0.00 H new ATOM 670 N GLU A 134 63.912 2.557 -8.639 1.00 0.00 N ATOM 671 CA GLU A 134 65.146 1.798 -8.440 1.00 0.00 C ATOM 672 C GLU A 134 65.928 2.324 -7.239 1.00 0.00 C ATOM 673 O GLU A 134 66.506 1.553 -6.473 1.00 0.00 O ATOM 674 CB GLU A 134 66.032 1.886 -9.685 1.00 0.00 C ATOM 675 CG GLU A 134 65.175 1.698 -10.939 1.00 0.00 C ATOM 676 CD GLU A 134 66.041 1.153 -12.069 1.00 0.00 C ATOM 677 OE1 GLU A 134 67.252 1.237 -11.952 1.00 0.00 O ATOM 678 OE2 GLU A 134 65.481 0.659 -13.033 1.00 0.00 O ATOM 0 H GLU A 134 63.900 3.137 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 134 64.867 0.760 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 134 66.536 2.852 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.809 1.123 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 134 64.354 1.011 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 134 64.729 2.648 -11.234 1.00 0.00 H new ATOM 685 N GLU A 135 65.950 3.645 -7.088 1.00 0.00 N ATOM 686 CA GLU A 135 66.676 4.264 -5.981 1.00 0.00 C ATOM 687 C GLU A 135 66.050 3.889 -4.640 1.00 0.00 C ATOM 688 O GLU A 135 66.721 3.369 -3.749 1.00 0.00 O ATOM 689 CB GLU A 135 66.667 5.787 -6.121 1.00 0.00 C ATOM 690 CG GLU A 135 67.365 6.417 -4.914 1.00 0.00 C ATOM 691 CD GLU A 135 66.533 7.586 -4.397 1.00 0.00 C ATOM 692 OE1 GLU A 135 66.550 8.627 -5.034 1.00 0.00 O ATOM 693 OE2 GLU A 135 65.889 7.423 -3.374 1.00 0.00 O ATOM 0 H GLU A 135 65.479 4.302 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 135 67.702 3.897 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 135 67.173 6.081 -7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.642 6.150 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.495 5.674 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.360 6.762 -5.195 1.00 0.00 H new ATOM 700 N LEU A 136 64.757 4.168 -4.505 1.00 0.00 N ATOM 701 CA LEU A 136 64.045 3.867 -3.266 1.00 0.00 C ATOM 702 C LEU A 136 64.176 2.389 -2.904 1.00 0.00 C ATOM 703 O LEU A 136 64.671 2.041 -1.832 1.00 0.00 O ATOM 704 CB LEU A 136 62.563 4.216 -3.406 1.00 0.00 C ATOM 705 CG LEU A 136 61.946 4.387 -2.018 1.00 0.00 C ATOM 706 CD1 LEU A 136 60.637 5.170 -2.135 1.00 0.00 C ATOM 707 CD2 LEU A 136 61.664 3.009 -1.414 1.00 0.00 C ATOM 0 H LEU A 136 64.184 4.598 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 136 64.491 4.468 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.448 5.134 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.043 3.429 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 136 62.638 4.931 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.196 5.292 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 136 60.837 6.151 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 136 59.944 4.626 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.224 3.129 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 136 60.971 2.465 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.596 2.450 -1.331 1.00 0.00 H new ATOM 719 N MET A 137 63.720 1.525 -3.807 1.00 0.00 N ATOM 720 CA MET A 137 63.786 0.085 -3.567 1.00 0.00 C ATOM 721 C MET A 137 65.216 -0.345 -3.256 1.00 0.00 C ATOM 722 O MET A 137 65.475 -1.006 -2.250 1.00 0.00 O ATOM 723 CB MET A 137 63.288 -0.685 -4.792 1.00 0.00 C ATOM 724 CG MET A 137 62.842 -2.086 -4.368 1.00 0.00 C ATOM 725 SD MET A 137 64.275 -3.191 -4.332 1.00 0.00 S ATOM 726 CE MET A 137 63.448 -4.611 -3.575 1.00 0.00 C ATOM 0 H MET A 137 63.306 1.791 -4.700 1.00 0.00 H new ATOM 0 HA MET A 137 63.149 -0.140 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.458 -0.153 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.080 -0.754 -5.538 1.00 0.00 H new ATOM 0 HG2 MET A 137 62.374 -2.048 -3.384 1.00 0.00 H new ATOM 0 HG3 MET A 137 62.093 -2.467 -5.063 1.00 0.00 H new ATOM 0 HE1 MET A 137 64.195 -5.301 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.808 -4.268 -2.762 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.842 -5.121 -4.324 1.00 0.00 H new ATOM 736 N LYS A 138 66.142 0.034 -4.132 1.00 0.00 N ATOM 737 CA LYS A 138 67.546 -0.322 -3.941 1.00 0.00 C ATOM 738 C LYS A 138 68.019 0.093 -2.552 1.00 0.00 C ATOM 739 O LYS A 138 68.701 -0.664 -1.861 1.00 0.00 O ATOM 740 CB LYS A 138 68.423 0.365 -4.990 1.00 0.00 C ATOM 741 CG LYS A 138 69.851 -0.177 -4.892 1.00 0.00 C ATOM 742 CD LYS A 138 70.515 -0.123 -6.270 1.00 0.00 C ATOM 743 CE LYS A 138 71.090 1.275 -6.506 1.00 0.00 C ATOM 744 NZ LYS A 138 70.433 1.888 -7.695 1.00 0.00 N ATOM 0 H LYS A 138 65.950 0.581 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 138 67.633 -1.403 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.022 0.187 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 138 68.420 1.444 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.426 0.411 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.837 -1.203 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 138 71.307 -0.869 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 138 69.788 -0.364 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.930 1.899 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 138 72.167 1.215 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 70.823 2.838 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.607 1.296 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 69.409 1.958 -7.528 1.00 0.00 H new ATOM 758 N ASP A 139 67.653 1.307 -2.153 1.00 0.00 N ATOM 759 CA ASP A 139 68.047 1.821 -0.844 1.00 0.00 C ATOM 760 C ASP A 139 67.435 0.979 0.272 1.00 0.00 C ATOM 761 O ASP A 139 68.146 0.403 1.095 1.00 0.00 O ATOM 762 CB ASP A 139 67.591 3.272 -0.683 1.00 0.00 C ATOM 763 CG ASP A 139 68.734 4.210 -1.059 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.875 3.835 -0.848 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.450 5.289 -1.552 1.00 0.00 O ATOM 0 H ASP A 139 67.089 1.949 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 139 69.134 1.771 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.725 3.465 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.280 3.455 0.346 1.00 0.00 H new ATOM 770 N GLY A 140 66.107 0.916 0.291 1.00 0.00 N ATOM 771 CA GLY A 140 65.406 0.143 1.313 1.00 0.00 C ATOM 772 C GLY A 140 65.847 -1.317 1.288 1.00 0.00 C ATOM 773 O GLY A 140 65.652 -2.055 2.253 1.00 0.00 O ATOM 0 H GLY A 140 65.500 1.385 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.603 0.570 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.330 0.205 1.148 1.00 0.00 H new ATOM 777 N ASP A 141 66.445 -1.725 0.172 1.00 0.00 N ATOM 778 CA ASP A 141 66.911 -3.101 0.031 1.00 0.00 C ATOM 779 C ASP A 141 68.373 -3.216 0.450 1.00 0.00 C ATOM 780 O ASP A 141 69.171 -3.887 -0.205 1.00 0.00 O ATOM 781 CB ASP A 141 66.770 -3.571 -1.418 1.00 0.00 C ATOM 782 CG ASP A 141 66.871 -5.091 -1.471 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.868 -5.703 -0.416 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.949 -5.621 -2.567 1.00 0.00 O ATOM 0 H ASP A 141 66.617 -1.131 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 141 66.297 -3.729 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 141 65.813 -3.245 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.549 -3.122 -2.035 1.00 0.00 H new ATOM 789 N LYS A 142 68.715 -2.554 1.552 1.00 0.00 N ATOM 790 CA LYS A 142 70.086 -2.589 2.053 1.00 0.00 C ATOM 791 C LYS A 142 70.577 -4.029 2.152 1.00 0.00 C ATOM 792 O LYS A 142 71.744 -4.322 1.889 1.00 0.00 O ATOM 793 CB LYS A 142 70.171 -1.933 3.434 1.00 0.00 C ATOM 794 CG LYS A 142 69.330 -2.730 4.433 1.00 0.00 C ATOM 795 CD LYS A 142 68.778 -1.787 5.505 1.00 0.00 C ATOM 796 CE LYS A 142 69.939 -1.114 6.239 1.00 0.00 C ATOM 797 NZ LYS A 142 69.608 0.318 6.483 1.00 0.00 N ATOM 0 H LYS A 142 68.071 -1.993 2.109 1.00 0.00 H new ATOM 0 HA LYS A 142 70.715 -2.038 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 142 71.208 -1.894 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 142 69.814 -0.904 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 142 68.510 -3.230 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 142 69.937 -3.508 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 142 68.138 -1.033 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 142 68.161 -2.343 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 142 70.128 -1.621 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 142 70.851 -1.192 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 70.397 0.776 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 69.448 0.797 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 68.748 0.381 7.064 1.00 0.00 H new ATOM 811 N ASN A 143 69.673 -4.926 2.533 1.00 0.00 N ATOM 812 CA ASN A 143 70.024 -6.338 2.662 1.00 0.00 C ATOM 813 C ASN A 143 70.041 -7.019 1.293 1.00 0.00 C ATOM 814 O ASN A 143 70.443 -8.175 1.166 1.00 0.00 O ATOM 815 CB ASN A 143 69.027 -7.059 3.578 1.00 0.00 C ATOM 816 CG ASN A 143 67.745 -7.385 2.810 1.00 0.00 C ATOM 817 OD1 ASN A 143 67.362 -6.606 1.835 1.00 0.00 O flip ATOM 818 ND2 ASN A 143 67.075 -8.374 3.105 1.00 0.00 N flip ATOM 0 H ASN A 143 68.702 -4.705 2.756 1.00 0.00 H new ATOM 0 HA ASN A 143 71.020 -6.396 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 143 69.473 -7.976 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.794 -6.433 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.373 -8.983 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 143 66.221 -8.584 2.588 1.00 0.00 H new ATOM 825 N ASN A 144 69.602 -6.288 0.270 1.00 0.00 N ATOM 826 CA ASN A 144 69.574 -6.831 -1.086 1.00 0.00 C ATOM 827 C ASN A 144 68.975 -8.235 -1.092 1.00 0.00 C ATOM 828 O ASN A 144 69.674 -9.222 -1.321 1.00 0.00 O ATOM 829 CB ASN A 144 70.987 -6.893 -1.667 1.00 0.00 C ATOM 830 CG ASN A 144 70.948 -6.508 -3.142 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.504 -7.208 -3.988 1.00 0.00 O ATOM 832 ND2 ASN A 144 70.317 -5.425 -3.503 1.00 0.00 N ATOM 0 H ASN A 144 69.264 -5.329 0.352 1.00 0.00 H new ATOM 0 HA ASN A 144 68.957 -6.171 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.646 -6.218 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 144 71.395 -7.897 -1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 144 70.284 -5.158 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 144 69.856 -4.845 -2.801 1.00 0.00 H new ATOM 839 N ASP A 145 67.672 -8.313 -0.836 1.00 0.00 N ATOM 840 CA ASP A 145 66.987 -9.603 -0.813 1.00 0.00 C ATOM 841 C ASP A 145 65.770 -9.593 -1.735 1.00 0.00 C ATOM 842 O ASP A 145 65.130 -10.623 -1.948 1.00 0.00 O ATOM 843 CB ASP A 145 66.528 -9.937 0.607 1.00 0.00 C ATOM 844 CG ASP A 145 66.080 -11.393 0.665 1.00 0.00 C ATOM 845 OD1 ASP A 145 66.574 -12.177 -0.129 1.00 0.00 O ATOM 846 OD2 ASP A 145 65.249 -11.704 1.503 1.00 0.00 O ATOM 0 H ASP A 145 67.075 -7.509 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 145 67.693 -10.357 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.341 -9.767 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 145 65.708 -9.281 0.900 1.00 0.00 H new ATOM 851 N GLY A 146 65.452 -8.421 -2.277 1.00 0.00 N ATOM 852 CA GLY A 146 64.305 -8.296 -3.172 1.00 0.00 C ATOM 853 C GLY A 146 63.036 -7.982 -2.384 1.00 0.00 C ATOM 854 O GLY A 146 61.925 -8.076 -2.906 1.00 0.00 O ATOM 0 H GLY A 146 65.965 -7.554 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 146 64.491 -7.507 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 146 64.172 -9.222 -3.731 1.00 0.00 H new ATOM 858 N ARG A 147 63.215 -7.607 -1.120 1.00 0.00 N ATOM 859 CA ARG A 147 62.078 -7.278 -0.261 1.00 0.00 C ATOM 860 C ARG A 147 62.529 -6.403 0.905 1.00 0.00 C ATOM 861 O ARG A 147 63.673 -5.950 0.954 1.00 0.00 O ATOM 862 CB ARG A 147 61.437 -8.555 0.289 1.00 0.00 C ATOM 863 CG ARG A 147 59.915 -8.467 0.154 1.00 0.00 C ATOM 864 CD ARG A 147 59.332 -9.876 0.027 1.00 0.00 C ATOM 865 NE ARG A 147 60.112 -10.828 0.815 1.00 0.00 N ATOM 866 CZ ARG A 147 59.909 -12.138 0.707 1.00 0.00 C ATOM 867 NH1 ARG A 147 59.003 -12.594 -0.114 1.00 0.00 N ATOM 868 NH2 ARG A 147 60.617 -12.968 1.423 1.00 0.00 N ATOM 0 H ARG A 147 64.127 -7.523 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 147 61.347 -6.735 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.810 -9.424 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.712 -8.690 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 147 59.491 -7.963 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 147 59.651 -7.872 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 147 58.296 -9.879 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 147 59.327 -10.180 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 147 60.824 -10.482 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 147 58.449 -11.946 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 147 58.848 -13.599 -0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 147 61.325 -12.612 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 147 60.462 -13.973 1.341 1.00 0.00 H new ATOM 882 N ILE A 148 61.617 -6.171 1.845 1.00 0.00 N ATOM 883 CA ILE A 148 61.930 -5.347 3.010 1.00 0.00 C ATOM 884 C ILE A 148 61.819 -6.171 4.289 1.00 0.00 C ATOM 885 O ILE A 148 61.054 -7.132 4.361 1.00 0.00 O ATOM 886 CB ILE A 148 60.972 -4.158 3.097 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.030 -3.359 1.791 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.382 -3.259 4.265 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.354 -2.595 1.713 1.00 0.00 C ATOM 0 H ILE A 148 60.665 -6.537 1.825 1.00 0.00 H new ATOM 0 HA ILE A 148 62.951 -4.982 2.901 1.00 0.00 H new ATOM 0 HB ILE A 148 59.956 -4.519 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.936 -4.031 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.193 -2.662 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.700 -2.411 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.341 -3.828 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.398 -2.897 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.392 -2.028 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.430 -1.911 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.184 -3.301 1.742 1.00 0.00 H new ATOM 901 N ASP A 149 62.595 -5.785 5.299 1.00 0.00 N ATOM 902 CA ASP A 149 62.578 -6.497 6.575 1.00 0.00 C ATOM 903 C ASP A 149 62.086 -5.582 7.693 1.00 0.00 C ATOM 904 O ASP A 149 61.510 -4.524 7.441 1.00 0.00 O ATOM 905 CB ASP A 149 63.979 -7.003 6.925 1.00 0.00 C ATOM 906 CG ASP A 149 64.634 -7.590 5.679 1.00 0.00 C ATOM 907 OD1 ASP A 149 64.000 -8.404 5.028 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.759 -7.217 5.394 1.00 0.00 O ATOM 0 H ASP A 149 63.236 -4.993 5.261 1.00 0.00 H new ATOM 0 HA ASP A 149 61.900 -7.345 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.585 -6.186 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.919 -7.759 7.708 1.00 0.00 H new ATOM 913 N TYR A 150 62.318 -6.005 8.933 1.00 0.00 N ATOM 914 CA TYR A 150 61.892 -5.220 10.089 1.00 0.00 C ATOM 915 C TYR A 150 62.930 -4.154 10.428 1.00 0.00 C ATOM 916 O TYR A 150 62.601 -3.097 10.965 1.00 0.00 O ATOM 917 CB TYR A 150 61.693 -6.125 11.307 1.00 0.00 C ATOM 918 CG TYR A 150 60.217 -6.346 11.534 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.443 -5.342 12.126 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.623 -7.555 11.153 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.074 -5.546 12.336 1.00 0.00 C ATOM 922 CE2 TYR A 150 58.255 -7.760 11.364 1.00 0.00 C ATOM 923 CZ TYR A 150 57.480 -6.755 11.956 1.00 0.00 C ATOM 924 OH TYR A 150 56.130 -6.955 12.162 1.00 0.00 O ATOM 0 H TYR A 150 62.794 -6.878 9.162 1.00 0.00 H new ATOM 0 HA TYR A 150 60.948 -4.738 9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 150 62.195 -7.080 11.150 1.00 0.00 H new ATOM 0 HB3 TYR A 150 62.143 -5.670 12.189 1.00 0.00 H new ATOM 0 HD1 TYR A 150 59.902 -4.410 12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 150 60.221 -8.330 10.696 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.476 -4.770 12.791 1.00 0.00 H new ATOM 0 HE2 TYR A 150 57.797 -8.693 11.070 1.00 0.00 H new ATOM 0 HH TYR A 150 55.879 -7.846 11.841 1.00 0.00 H new ATOM 934 N ASP A 151 64.189 -4.445 10.112 1.00 0.00 N ATOM 935 CA ASP A 151 65.271 -3.504 10.391 1.00 0.00 C ATOM 936 C ASP A 151 65.312 -2.410 9.329 1.00 0.00 C ATOM 937 O ASP A 151 65.667 -1.264 9.609 1.00 0.00 O ATOM 938 CB ASP A 151 66.619 -4.226 10.413 1.00 0.00 C ATOM 939 CG ASP A 151 66.582 -5.339 11.455 1.00 0.00 C ATOM 940 OD1 ASP A 151 66.887 -5.059 12.602 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.249 -6.454 11.089 1.00 0.00 O ATOM 0 H ASP A 151 64.484 -5.315 9.668 1.00 0.00 H new ATOM 0 HA ASP A 151 65.083 -3.058 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.837 -4.641 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 151 67.417 -3.521 10.646 1.00 0.00 H new ATOM 946 N GLU A 152 64.943 -2.777 8.105 1.00 0.00 N ATOM 947 CA GLU A 152 64.939 -1.822 7.001 1.00 0.00 C ATOM 948 C GLU A 152 63.691 -0.947 7.061 1.00 0.00 C ATOM 949 O GLU A 152 63.753 0.266 6.865 1.00 0.00 O ATOM 950 CB GLU A 152 64.969 -2.548 5.651 1.00 0.00 C ATOM 951 CG GLU A 152 65.600 -3.934 5.815 1.00 0.00 C ATOM 952 CD GLU A 152 65.924 -4.511 4.441 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.168 -4.252 3.520 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.922 -5.202 4.331 1.00 0.00 O ATOM 0 H GLU A 152 64.645 -3.720 7.854 1.00 0.00 H new ATOM 0 HA GLU A 152 65.830 -1.202 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 152 63.957 -2.644 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.538 -1.964 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 152 66.507 -3.864 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 152 64.917 -4.596 6.347 1.00 0.00 H new ATOM 961 N PHE A 153 62.555 -1.583 7.333 1.00 0.00 N ATOM 962 CA PHE A 153 61.288 -0.862 7.418 1.00 0.00 C ATOM 963 C PHE A 153 61.239 -0.013 8.686 1.00 0.00 C ATOM 964 O PHE A 153 60.532 0.992 8.752 1.00 0.00 O ATOM 965 CB PHE A 153 60.118 -1.849 7.434 1.00 0.00 C ATOM 966 CG PHE A 153 58.912 -1.220 6.780 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.728 -1.330 5.397 1.00 0.00 C ATOM 968 CD2 PHE A 153 57.975 -0.529 7.558 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.609 -0.748 4.791 1.00 0.00 C ATOM 970 CE2 PHE A 153 56.856 0.053 6.953 1.00 0.00 C ATOM 971 CZ PHE A 153 56.672 -0.056 5.569 1.00 0.00 C ATOM 0 H PHE A 153 62.485 -2.587 7.497 1.00 0.00 H new ATOM 0 HA PHE A 153 61.209 -0.213 6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.394 -2.763 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 153 59.882 -2.131 8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.450 -1.864 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.116 -0.445 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.468 -0.832 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.134 0.586 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.808 0.393 5.102 1.00 0.00 H new ATOM 981 N LEU A 154 61.999 -0.432 9.693 1.00 0.00 N ATOM 982 CA LEU A 154 62.036 0.294 10.960 1.00 0.00 C ATOM 983 C LEU A 154 62.871 1.565 10.828 1.00 0.00 C ATOM 984 O LEU A 154 62.726 2.504 11.610 1.00 0.00 O ATOM 985 CB LEU A 154 62.638 -0.582 12.059 1.00 0.00 C ATOM 986 CG LEU A 154 61.533 -1.402 12.728 1.00 0.00 C ATOM 987 CD1 LEU A 154 62.150 -2.332 13.774 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.541 -0.457 13.410 1.00 0.00 C ATOM 0 H LEU A 154 62.592 -1.261 9.659 1.00 0.00 H new ATOM 0 HA LEU A 154 61.012 0.559 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.392 -1.246 11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.141 0.041 12.799 1.00 0.00 H new ATOM 0 HG LEU A 154 61.014 -1.995 11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 154 61.363 -2.916 14.251 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.859 -3.004 13.290 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.669 -1.739 14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.753 -1.039 13.887 1.00 0.00 H new ATOM 0 HD22 LEU A 154 61.061 0.135 14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.101 0.207 12.666 1.00 0.00 H new ATOM 1000 N GLU A 155 63.752 1.581 9.831 1.00 0.00 N ATOM 1001 CA GLU A 155 64.613 2.740 9.608 1.00 0.00 C ATOM 1002 C GLU A 155 64.034 3.641 8.522 1.00 0.00 C ATOM 1003 O GLU A 155 63.671 4.789 8.776 1.00 0.00 O ATOM 1004 CB GLU A 155 66.012 2.292 9.187 1.00 0.00 C ATOM 1005 CG GLU A 155 67.045 3.298 9.698 1.00 0.00 C ATOM 1006 CD GLU A 155 68.383 3.047 9.010 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.505 3.403 7.849 1.00 0.00 O ATOM 1008 OE2 GLU A 155 69.265 2.503 9.654 1.00 0.00 O ATOM 0 H GLU A 155 63.888 0.815 9.172 1.00 0.00 H new ATOM 0 HA GLU A 155 64.673 3.296 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.224 1.301 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.070 2.215 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.707 4.315 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.156 3.204 10.778 1.00 0.00 H new ATOM 1015 N PHE A 156 63.953 3.107 7.307 1.00 0.00 N ATOM 1016 CA PHE A 156 63.416 3.870 6.184 1.00 0.00 C ATOM 1017 C PHE A 156 61.892 3.831 6.197 1.00 0.00 C ATOM 1018 O PHE A 156 61.254 3.499 5.198 1.00 0.00 O ATOM 1019 CB PHE A 156 63.920 3.298 4.858 1.00 0.00 C ATOM 1020 CG PHE A 156 64.249 4.431 3.916 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.293 5.417 3.644 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.511 4.495 3.314 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.599 6.467 2.770 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.818 5.545 2.441 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.862 6.531 2.168 1.00 0.00 C ATOM 0 H PHE A 156 64.249 2.159 7.075 1.00 0.00 H new ATOM 0 HA PHE A 156 63.754 4.901 6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.804 2.683 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.161 2.652 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.319 5.368 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 156 66.248 3.734 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 156 62.861 7.227 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.792 5.595 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.098 7.341 1.493 1.00 0.00 H new ATOM 1035 N MET A 157 61.320 4.175 7.345 1.00 0.00 N ATOM 1036 CA MET A 157 59.869 4.180 7.493 1.00 0.00 C ATOM 1037 C MET A 157 59.486 4.610 8.905 1.00 0.00 C ATOM 1038 O MET A 157 58.495 4.142 9.467 1.00 0.00 O ATOM 1039 CB MET A 157 59.300 2.787 7.220 1.00 0.00 C ATOM 1040 CG MET A 157 58.370 2.842 6.006 1.00 0.00 C ATOM 1041 SD MET A 157 56.840 3.693 6.458 1.00 0.00 S ATOM 1042 CE MET A 157 56.373 4.217 4.791 1.00 0.00 C ATOM 0 H MET A 157 61.834 4.452 8.181 1.00 0.00 H new ATOM 0 HA MET A 157 59.455 4.885 6.773 1.00 0.00 H new ATOM 0 HB2 MET A 157 60.110 2.081 7.038 1.00 0.00 H new ATOM 0 HB3 MET A 157 58.755 2.428 8.093 1.00 0.00 H new ATOM 0 HG2 MET A 157 58.859 3.363 5.183 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.149 1.833 5.658 1.00 0.00 H new ATOM 0 HE1 MET A 157 55.346 4.581 4.798 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.038 5.015 4.461 1.00 0.00 H new ATOM 0 HE3 MET A 157 56.454 3.371 4.108 1.00 0.00 H new ATOM 1052 N LYS A 158 60.287 5.508 9.473 1.00 0.00 N ATOM 1053 CA LYS A 158 60.031 6.001 10.823 1.00 0.00 C ATOM 1054 C LYS A 158 58.661 6.667 10.894 1.00 0.00 C ATOM 1055 O LYS A 158 58.535 7.881 10.732 1.00 0.00 O ATOM 1056 CB LYS A 158 61.100 7.014 11.235 1.00 0.00 C ATOM 1057 CG LYS A 158 62.252 6.289 11.933 1.00 0.00 C ATOM 1058 CD LYS A 158 63.438 7.243 12.091 1.00 0.00 C ATOM 1059 CE LYS A 158 64.040 7.545 10.717 1.00 0.00 C ATOM 1060 NZ LYS A 158 65.300 8.322 10.888 1.00 0.00 N ATOM 0 H LYS A 158 61.112 5.906 9.024 1.00 0.00 H new ATOM 0 HA LYS A 158 60.058 5.150 11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.469 7.545 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 158 60.670 7.761 11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.930 5.929 12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.550 5.415 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.113 8.168 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.192 6.798 12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.242 6.616 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 158 63.330 8.110 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 65.710 8.528 9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.093 9.215 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 65.977 7.766 11.449 1.00 0.00 H new ATOM 1074 N GLY A 159 57.635 5.857 11.139 1.00 0.00 N ATOM 1075 CA GLY A 159 56.274 6.376 11.231 1.00 0.00 C ATOM 1076 C GLY A 159 56.050 7.484 10.209 1.00 0.00 C ATOM 1077 O GLY A 159 55.760 8.627 10.562 1.00 0.00 O ATOM 0 H GLY A 159 57.718 4.850 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 159 55.560 5.570 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.092 6.759 12.235 1.00 0.00 H new ATOM 1081 N VAL A 160 56.188 7.131 8.935 1.00 0.00 N ATOM 1082 CA VAL A 160 56.001 8.101 7.861 1.00 0.00 C ATOM 1083 C VAL A 160 54.550 8.104 7.392 1.00 0.00 C ATOM 1084 O VAL A 160 54.129 7.241 6.622 1.00 0.00 O ATOM 1085 CB VAL A 160 56.906 7.766 6.675 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.206 9.041 5.885 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.217 7.166 7.190 1.00 0.00 C ATOM 0 H VAL A 160 56.426 6.190 8.623 1.00 0.00 H new ATOM 0 HA VAL A 160 56.260 9.086 8.249 1.00 0.00 H new ATOM 0 HB VAL A 160 56.405 7.047 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 160 57.851 8.802 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.273 9.471 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.708 9.760 6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 160 58.864 6.926 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.717 7.886 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.005 6.258 7.754 1.00 0.00 H new ATOM 1097 N GLU A 161 53.789 9.085 7.868 1.00 0.00 N ATOM 1098 CA GLU A 161 52.382 9.195 7.493 1.00 0.00 C ATOM 1099 C GLU A 161 52.238 9.273 5.976 1.00 0.00 C ATOM 1100 O GLU A 161 52.562 10.311 5.423 1.00 0.00 O ATOM 1101 CB GLU A 161 51.758 10.445 8.116 1.00 0.00 C ATOM 1102 CG GLU A 161 50.620 10.034 9.052 1.00 0.00 C ATOM 1103 CD GLU A 161 49.282 10.377 8.406 1.00 0.00 C ATOM 1104 OE1 GLU A 161 49.203 10.323 7.190 1.00 0.00 O ATOM 1105 OE2 GLU A 161 48.356 10.688 9.137 1.00 0.00 O ATOM 1106 OXT GLU A 161 51.806 8.294 5.391 1.00 0.00 O ATOM 0 H GLU A 161 54.118 9.808 8.507 1.00 0.00 H new ATOM 0 HA GLU A 161 51.866 8.308 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.513 11.005 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.380 11.104 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.673 8.965 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 161 50.717 10.549 10.008 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.299 -8.035 0.701 1.00 0.00 CA HETATM 1115 CA CA A 3 65.716 -5.138 1.824 1.00 0.00 CA HETATM 1116 S1 EMD A 1 60.729 0.192 3.529 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.364 0.566 2.934 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.336 -0.070 3.343 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.525 1.541 2.047 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.499 2.289 1.511 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.214 2.229 1.615 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.608 1.041 2.390 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.060 0.002 1.410 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.356 3.498 1.275 1.00 0.00 C HETATM 1125 C9 EMD A 1 57.995 3.529 1.609 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.220 4.664 1.312 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.832 5.768 0.671 1.00 0.00 C HETATM 1128 C12 EMD A 1 59.192 5.730 0.340 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.954 4.595 0.644 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.982 6.989 0.347 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.640 7.149 1.051 1.00 0.00 C HETATM 1132 C16 EMD A 1 55.284 6.101 2.087 1.00 0.00 C HETATM 1133 C17 EMD A 1 55.728 4.677 1.682 1.00 0.00 C HETATM 1134 C18 EMD A 1 57.373 7.968 -0.562 1.00 0.00 C HETATM 1135 O18 EMD A 1 58.443 7.894 -1.162 1.00 0.00 O HETATM 1136 C19 EMD A 1 56.493 9.184 -0.858 1.00 0.00 C HETATM 1137 C20 EMD A 1 56.994 10.475 -0.645 1.00 0.00 C HETATM 1138 C21 EMD A 1 56.165 11.590 -0.839 1.00 0.00 C HETATM 1139 O21 EMD A 1 56.713 12.858 -0.612 1.00 0.00 O HETATM 1140 C22 EMD A 1 54.852 11.417 -1.240 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.989 12.497 -1.447 1.00 0.00 O HETATM 1142 C23 EMD A 1 54.345 10.127 -1.455 1.00 0.00 C HETATM 1143 C24 EMD A 1 55.165 9.009 -1.263 1.00 0.00 C HETATM 1144 C25 EMD A 1 58.038 13.271 -1.033 1.00 0.00 C HETATM 1145 C26 EMD A 1 52.648 12.376 -1.983 1.00 0.00 C HETATM 0 H263 EMD A 1 52.693 11.935 -2.979 1.00 0.00 H new HETATM 0 H262 EMD A 1 52.051 11.739 -1.330 1.00 0.00 H new HETATM 0 H261 EMD A 1 52.190 13.363 -2.044 1.00 0.00 H new HETATM 0 H253 EMD A 1 58.785 12.627 -0.568 1.00 0.00 H new HETATM 0 H252 EMD A 1 58.116 13.193 -2.117 1.00 0.00 H new HETATM 0 H251 EMD A 1 58.211 14.304 -0.730 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.134 4.331 0.836 1.00 0.00 H new HETATM 0 H171 EMD A 1 55.545 3.985 2.504 1.00 0.00 H new HETATM 0 H162 EMD A 1 55.749 6.364 3.037 1.00 0.00 H new HETATM 0 H161 EMD A 1 54.206 6.108 2.247 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.625 8.125 1.536 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.857 7.157 0.293 1.00 0.00 H new HETATM 0 H9 EMD A 1 57.536 2.671 2.100 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.885 -0.451 0.860 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.524 -0.771 1.961 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.379 0.486 0.709 1.00 0.00 H new HETATM 0 H6 EMD A 1 58.828 1.492 3.003 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.475 1.751 1.741 1.00 0.00 H new HETATM 0 H24 EMD A 1 54.771 8.006 -1.428 1.00 0.00 H new HETATM 0 H23 EMD A 1 53.311 9.995 -1.772 1.00 0.00 H new HETATM 0 H20 EMD A 1 58.028 10.613 -0.329 1.00 0.00 H new HETATM 0 H13 EMD A 1 61.013 4.566 0.389 1.00 0.00 H new HETATM 0 H12 EMD A 1 59.657 6.583 -0.154 1.00 0.00 H new